#DEFINITION	Reference Metabolome for Dalbergia odorifera
#IDENTTFIER	RefMeta-Dalbergia odorifera.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Dalbergia odorifera
#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 Dalbergia odorifera 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	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88158	100.0
219.75504	35.1
576.68353	39.1
1005.72870	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
72.21040	47.7
98.19750	100.0
106.36731	56.5
112.95212	47.7
206.38113	53.7
231.21471	58.4
336.57507	61.1
337.13361	53.8
351.82886	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.0
69.50830	1.8
71.01378	19.4
72.99307	2.3
73.00830	0.2
73.02939	4.9
75.00870	7.5
81.03471	0.3
81.20158	0.2
83.01385	2.8
85.02950	11.4
86.00107	1.3
87.00875	8.2
87.04512	1.9
89.02442	5.0
89.84855	0.2
95.01382	2.7
96.96010	0.4
97.02921	0.7
99.00872	8.3
99.04537	0.3
101.02441	7.3
103.04002	2.5
105.03436	0.3
111.00891	0.6
112.01682	0.6
113.02446	9.4
115.00410	0.4
115.03979	1.8
119.03502	1.3
125.02466	0.5
127.04009	0.3
131.03497	4.2
137.02368	0.3
139.00386	0.6
143.03493	4.8
145.05023	0.6
145.71318	0.2
147.04489	0.5
149.05978	0.2
149.42368	0.3
157.01390	0.9
161.04596	0.5
163.06116	1.7
205.07161	3.0
219.03336	0.3
343.95709	0.3
439.35760	0.4
441.37799	0.3
451.31128	0.3
475.35446	0.3
491.34451	0.4
509.35715	2.1
511.37857	0.5
579.40479	0.9
620.35010	0.4
625.40961	0.7
640.22437	0.3
669.39673	0.5
684.46045	0.5
703.40582	0.6
933.52264	0.5
977.51373	2.0
995.52173	100.0
996.52515	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	989.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88436	0.2
71.01369	0.5
83.05039	0.7
83.96846	0.2
85.02956	0.4
87.00874	51.0
88.01216	0.5
91.05538	0.9
93.03455	1.7
95.05029	0.3
97.06573	2.3
98.19843	0.5
101.06066	0.6
103.05537	0.5
105.03474	0.6
106.04227	0.3
107.04294	0.4
107.05025	8.0
108.02164	0.5
109.02949	0.4
111.04527	1.0
112.05313	0.9
119.05063	1.1
121.02950	14.1
122.03749	10.1
123.04507	0.7
124.01669	1.1
130.99860	30.7
131.05040	0.3
132.00803	0.2
133.03000	0.3
134.03746	4.6
135.00772	0.2
135.04526	2.3
136.01669	0.9
137.02434	5.2
139.04019	1.5
145.02921	0.3
146.03758	0.3
147.04512	14.0
148.05310	3.5
149.02408	1.7
149.06056	0.8
149.09750	0.4
150.03271	0.3
154.02734	2.2
161.02370	0.3
162.03203	0.2
163.03996	5.4
164.04791	4.2
165.05568	0.4
166.02725	1.4
172.05309	0.3
173.09662	0.3
175.03961	0.2
175.07634	0.5
179.35316	0.2
189.09212	0.4
190.10066	0.7
191.03459	2.8
191.10767	10.7
192.04274	4.3
192.11098	0.3
193.01392	0.5
193.05022	0.5
194.02132	1.9
201.09181	1.0
219.10254	4.1
222.09013	0.6
223.32896	0.2
229.08823	0.3
229.11548	0.3
245.11922	0.2
247.09798	0.3
254.04305	27.5
255.04695	0.6
261.11282	0.5
271.27985	0.2
273.07632	0.6
284.03290	0.6
285.04224	0.3
289.10767	0.6
291.08749	2.7
312.70865	0.2
320.75565	0.2
333.09647	0.4
351.10825	100.0
352.11163	5.7
1014.87164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99785	1.0
69.50849	4.5
71.01377	13.3
72.99290	1.8
73.02939	3.6
75.00867	5.3
77.58906	0.6
83.01373	2.4
85.02948	8.3
87.00856	4.6
87.04507	1.2
89.02435	4.3
93.64536	0.7
95.01385	2.3
98.20644	1.1
99.00874	6.1
101.02431	6.7
103.03977	2.3
107.88267	0.6
113.02451	7.0
113.09669	0.6
115.03993	1.4
119.03510	1.1
119.52151	0.6
131.03467	2.9
142.71320	0.6
143.03479	3.1
146.23039	0.6
163.06082	1.1
178.42479	0.6
205.07104	3.2
299.02151	0.9
393.84521	0.7
406.83041	0.9
408.43298	0.7
437.34476	3.4
507.38171	1.7
755.53149	0.8
818.16895	0.9
906.35358	0.7
923.50024	100.0
924.50323	17.6
987.44159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	1.1
69.03452	0.6
69.80165	1.0
71.01380	14.1
72.99304	1.4
73.02942	3.7
75.00867	5.7
83.00963	0.3
83.01389	2.1
85.02944	9.1
86.00079	0.8
86.03259	0.2
87.00875	4.5
87.04509	1.4
89.01931	0.3
89.02443	4.6
95.01379	2.1
97.02937	0.4
99.00873	5.8
101.02438	7.3
103.04016	1.8
111.00900	0.4
113.02451	6.0
115.00328	0.4
115.03992	1.9
119.03487	1.3
125.02371	0.3
131.03506	2.7
143.03496	3.7
145.05017	0.6
157.01389	0.6
160.96477	0.2
161.04497	0.7
163.06096	1.2
205.07137	2.7
206.07483	0.2
217.42879	0.2
423.32040	0.2
439.35901	2.5
441.37323	0.4
509.39957	1.9
510.40189	0.3
553.37823	0.2
599.39575	0.5
749.72131	0.2
762.04095	0.2
868.23712	0.2
907.50500	0.6
925.51593	100.0
926.51941	15.2
926.70874	0.4
988.49976	0.6
989.44293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54314	0.4
72.99295	0.2
73.02938	0.8
83.01368	0.4
85.02927	2.2
87.00864	6.8
89.02444	0.6
89.03927	0.3
93.03446	0.7
95.01389	0.3
96.35587	0.3
97.06570	0.5
99.00877	0.7
101.02441	2.5
103.16097	0.3
105.03468	0.4
111.04530	0.3
113.02444	0.8
114.64778	0.3
119.05043	0.4
121.02959	1.5
122.03719	0.3
123.04523	1.2
125.02480	0.4
129.01953	0.6
130.99866	1.1
132.02153	5.9
133.02942	2.8
134.03729	4.8
135.04503	0.7
137.02449	0.7
145.02950	1.7
146.03642	0.9
147.04550	1.7
148.05319	0.4
149.06067	1.5
160.01643	29.1
161.02126	0.8
161.04596	0.3
161.06046	0.3
162.06815	0.8
163.04001	1.1
163.07619	1.6
164.04720	0.6
165.05391	0.5
172.05205	1.1
173.04475	0.7
173.05911	0.6
173.09666	1.1
174.03165	1.0
175.03979	39.8
175.07538	4.4
176.04311	1.6
177.01820	0.5
178.02739	0.5
179.03462	0.9
186.06854	1.1
187.07600	1.0
188.04805	0.4
188.08452	0.3
189.05487	1.1
190.06314	2.9
190.99861	0.8
191.01982	0.3
191.03665	0.3
191.05399	0.4
191.07030	0.4
191.10750	2.0
193.05035	3.8
193.07130	0.9
198.06830	0.5
199.07616	0.4
200.04782	2.0
201.09210	4.8
203.07098	1.6
204.04211	0.4
204.07910	1.5
205.03418	0.4
209.03043	0.3
211.04189	0.2
215.07091	0.7
215.10870	0.3
216.07863	0.6
217.08670	1.5
217.12386	0.3
219.10226	13.0
220.10593	0.4
223.04382	0.7
227.03485	0.9
227.07124	0.3
227.10675	1.9
228.04294	1.2
228.07808	0.5
229.08649	8.7
230.09003	0.6
237.05531	0.3
239.03389	0.5
240.04245	2.3
241.05055	0.3
243.10126	0.7
245.08121	1.2
245.11784	1.3
247.09726	2.6
255.02927	0.9
256.03625	0.6
261.11240	2.3
271.06058	0.3
271.09653	1.4
273.07645	5.3
281.08456	1.0
281.66934	0.3
283.02347	1.4
284.03223	34.8
285.03540	2.0
289.10815	2.2
291.08704	1.7
293.08859	0.4
299.05566	53.1
300.05911	2.6
301.10867	0.9
307.11786	0.4
309.09653	1.3
333.09753	1.3
349.09290	0.3
351.10788	15.2
352.11185	0.9
354.09396	2.3
367.10263	1.9
368.10678	1.5
369.11841	100.0
370.12195	5.5
500.54236	0.3
505.82297	0.3
619.62598	0.3
786.95441	0.3
963.36298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.3
69.03446	0.8
70.08707	1.3
70.09084	1.5
71.01380	12.9
72.99287	1.1
73.02909	0.8
75.00866	7.4
81.46805	0.7
83.01387	1.7
85.02930	5.0
87.00846	1.8
89.02448	6.1
95.01360	2.1
97.02947	2.4
98.19821	0.8
99.00845	6.3
101.02443	6.4
113.02437	5.5
119.03503	1.5
125.02422	3.6
161.04398	0.7
271.02292	1.0
298.01358	1.0
299.01865	1.7
313.03403	2.6
314.04230	2.0
565.39014	1.3
676.41388	1.0
724.70563	0.8
724.84454	0.8
736.27484	0.9
905.48950	100.0
906.49445	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	973.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.2
69.58991	0.4
69.59404	0.6
71.01379	0.8
72.99301	0.6
73.02957	0.2
75.00875	0.2
78.95911	0.2
85.02950	0.5
85.48656	0.1
87.00871	0.7
89.03970	3.3
93.03461	0.6
95.01405	0.2
96.96011	0.7
97.02913	0.2
98.20572	0.3
99.00871	0.5
101.02418	0.3
106.04251	0.6
107.04907	0.2
109.02939	0.2
113.02466	0.5
117.03464	6.0
118.03817	0.2
119.05000	0.4
121.02937	1.1
123.00908	0.2
124.01642	0.2
130.99785	0.2
132.02173	2.7
133.02951	0.7
134.03734	93.1
135.04053	2.1
136.01642	0.3
137.02422	3.0
139.03999	0.6
145.02998	0.2
147.04492	0.7
147.05536	0.2
149.02435	3.8
149.06068	7.8
150.03175	0.5
151.00342	1.9
151.03935	0.3
152.01103	0.3
160.01646	8.6
160.40427	0.2
161.02165	0.3
161.04552	0.2
162.03268	0.2
163.04019	0.3
164.04776	2.4
165.05501	0.2
166.02707	4.6
167.03484	0.3
173.04529	0.3
175.03992	12.1
176.04384	0.4
177.01859	0.3
178.02698	7.2
179.03043	0.3
179.07095	0.2
181.05061	4.5
187.04008	0.2
190.02725	0.5
191.03493	0.3
192.04276	0.3
193.05037	100.0
194.05359	2.9
200.04639	0.2
205.05037	1.0
206.05789	0.2
207.06593	0.2
208.03745	0.3
223.06091	4.0
254.04199	0.2
284.03250	1.3
299.05551	1.1
384.12003	0.2
387.10583	0.5
387.14587	0.6
398.13910	0.2
399.14392	0.7
402.12976	0.5
403.14114	0.2
417.15475	3.2
418.15308	0.2
673.24139	0.2
675.22925	0.3
693.23956	0.5
705.23553	0.4
711.24841	0.2
717.23730	1.0
721.23553	0.2
735.25153	1.5
736.25671	0.3
753.25653	0.7
929.30554	5.2
929.47827	0.3
930.31311	0.6
973.37433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24877	0.6
71.01377	1.7
85.02943	2.3
87.00880	11.6
93.03440	5.6
93.41457	0.6
95.01350	0.8
95.11689	0.5
95.80245	0.5
95.97589	0.5
103.23630	0.7
108.02167	1.7
109.02976	0.5
111.00892	0.6
117.03480	0.9
119.05056	1.3
121.02899	1.1
123.04496	2.0
124.71438	0.6
125.02472	0.6
132.02136	1.3
133.02962	1.3
134.03717	4.2
135.04547	1.1
135.58975	0.5
136.01704	0.8
137.02428	0.8
143.04997	0.8
145.02898	1.0
146.03697	1.2
147.04521	0.9
149.02408	1.0
151.04109	1.0
159.04538	1.6
160.05255	0.9
161.02388	1.4
161.06137	0.8
162.03197	1.6
163.04004	3.5
163.27432	0.5
171.04424	0.8
173.04562	9.2
173.06035	1.1
175.04034	1.4
183.04527	2.0
184.05206	1.0
185.06038	2.1
186.03207	0.8
187.03984	3.6
188.04762	0.9
189.01851	0.8
189.05495	1.1
191.01978	1.7
191.05556	2.2
193.05032	3.6
194.05402	0.7
197.06169	0.8
198.03218	1.4
199.04012	3.1
201.05571	1.7
203.03481	0.6
205.05115	0.9
209.02916	1.0
209.05980	0.8
211.04074	3.5
212.04723	1.4
213.01999	0.6
213.05510	2.1
214.02646	1.7
215.03462	2.0
216.04048	0.6
217.05049	0.7
220.05717	0.6
225.05597	1.0
226.02661	1.4
226.06300	0.8
227.03465	8.1
227.06941	1.0
228.04204	3.1
229.01491	1.2
229.05028	10.7
230.02202	1.1
230.05739	1.0
237.05554	1.2
239.03482	1.1
240.04230	1.8
241.05080	3.5
242.02156	1.5
243.02933	3.7
244.03674	3.5
252.04282	1.1
253.01353	0.8
253.05042	3.2
254.02174	2.1
254.05815	2.4
255.02975	8.0
255.06668	6.4
256.00217	3.6
256.03693	2.4
257.00864	1.4
257.04501	3.8
258.01624	2.6
259.02316	1.4
265.04956	1.2
267.03052	1.5
268.03818	1.5
269.00821	0.8
269.04468	2.5
270.01483	0.8
271.02466	5.6
271.05750	1.0
272.03229	4.3
273.03940	5.1
279.03024	1.1
279.06427	0.7
280.03708	1.7
281.04507	3.2
282.05148	0.9
283.02426	2.2
283.06100	2.5
284.03134	1.1
285.04074	3.1
286.04630	0.7
291.06812	0.7
293.04501	1.8
294.05298	0.7
295.02606	1.1
295.05997	1.0
296.03067	1.4
297.04138	4.3
298.04971	0.7
299.02362	1.2
299.05695	1.9
305.08127	1.2
307.05969	0.7
309.03958	1.2
311.05515	2.1
319.06006	1.0
325.03500	1.7
331.06052	2.6
333.07605	6.5
334.08319	2.9
335.05707	0.9
344.07233	0.6
348.06387	1.6
349.07114	13.4
350.07565	1.0
359.05429	2.7
360.06296	1.3
361.07114	1.7
362.07831	0.8
363.05045	2.3
367.10388	1.7
377.06549	5.1
378.07355	3.3
379.08206	1.4
388.05823	3.3
389.06750	4.5
391.04492	5.5
392.05304	2.1
402.03830	3.3
403.04221	4.9
404.04739	0.7
405.05820	5.0
406.06894	54.8
407.07620	24.4
408.08102	1.5
414.07416	1.7
415.08105	2.4
431.07007	0.7
432.08496	4.9
433.09293	6.0
434.05957	1.0
435.07141	1.2
437.14529	2.3
448.08203	3.7
449.08362	3.1
458.06308	2.0
459.07037	1.7
477.08572	1.3
479.06073	0.9
503.05899	0.8
539.08344	4.8
611.18060	1.8
847.23212	3.2
873.23596	0.9
889.23730	2.2
917.22839	2.5
919.21564	4.1
943.21204	3.1
979.23584	100.0
980.23840	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	961.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.9
69.03458	0.5
69.32131	0.4
70.90736	1.0
71.01389	2.3
75.07829	0.4
75.29178	0.4
79.05535	0.7
85.02916	0.6
87.00871	39.2
89.02441	1.1
91.05537	3.2
92.41584	0.4
93.03462	3.6
95.01396	0.5
95.05022	1.9
101.02451	2.4
101.03991	0.4
103.05511	1.1
105.03461	3.0
108.02168	1.8
109.02971	0.4
113.02427	1.0
119.03532	0.4
119.05029	3.4
121.02952	19.9
121.32726	0.4
122.03742	16.5
123.04554	3.9
124.01667	0.4
129.03496	0.6
130.99863	17.7
133.02957	0.5
135.04515	1.6
136.01584	0.4
137.02441	4.5
139.04117	1.8
145.02954	1.7
146.03711	1.4
147.04514	21.5
148.05302	4.1
149.02437	7.6
149.06087	0.6
150.03226	2.9
151.04073	0.4
154.02705	1.5
161.04601	0.5
163.04012	6.0
164.04782	4.5
165.05511	1.4
174.74721	0.4
175.04018	0.4
183.13882	3.7
191.03523	3.4
192.04306	2.7
193.05058	0.4
193.12350	1.5
211.13380	37.1
212.13727	1.0
217.01373	1.5
218.02132	3.7
239.62943	0.4
253.09285	2.1
254.04288	10.2
255.04968	1.0
277.21698	25.1
278.22076	1.5
287.16446	0.7
290.41266	0.4
313.17902	0.5
315.16080	1.0
323.16208	0.6
333.16785	0.5
341.17416	0.5
707.43713	0.5
899.48108	0.5
901.45575	3.3
925.45966	0.9
943.47687	1.9
944.46338	0.5
961.47919	100.0
962.48236	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	959.464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67425	4.0
70.96275	0.9
71.01383	2.5
76.59088	0.6
85.02946	1.5
87.00874	100.0
88.01211	1.0
89.02465	1.7
89.95190	0.8
100.81834	0.8
101.02457	2.2
106.88983	0.8
112.83147	0.7
113.02454	0.8
117.02033	0.8
119.05051	1.2
121.02988	1.7
122.03773	1.6
123.04509	1.5
130.04221	1.0
130.99841	5.3
131.05000	0.9
133.01408	0.9
135.04510	2.3
137.02457	1.0
139.03972	0.7
146.03720	10.1
147.04527	6.2
148.05313	2.2
149.06075	22.9
158.03709	1.7
159.04517	9.3
160.05287	2.2
161.06094	2.6
162.03239	1.1
163.04030	2.1
164.04776	2.7
172.05276	4.9
173.02409	0.8
173.06073	3.5
174.03226	5.9
174.06651	1.2
175.03987	3.1
176.04752	1.5
176.74155	0.7
185.06078	1.2
186.06798	1.5
187.03989	15.4
187.07620	1.6
188.04771	22.5
189.05533	4.0
193.05060	6.8
196.05299	1.5
197.06018	1.2
198.06841	0.7
199.03830	1.0
199.07712	0.9
201.05492	3.6
209.11771	1.1
210.06779	1.2
212.04762	2.0
213.05632	0.9
214.06265	4.2
216.04301	0.9
225.12910	1.3
229.05194	1.0
231.13988	1.5
232.07462	1.7
237.04065	5.6
243.13841	1.0
245.71570	0.9
251.10793	1.0
253.12250	0.9
267.13785	1.1
267.83817	0.7
269.11807	6.7
269.15427	3.3
270.12610	1.2
271.13361	6.5
277.21680	6.5
281.11478	0.9
283.13309	1.7
285.14954	5.5
287.12799	4.0
287.16449	2.9
289.14413	3.8
295.13370	9.7
295.22821	1.2
296.13644	1.2
297.11377	1.0
297.14810	0.9
299.12949	2.4
301.14505	2.0
303.15927	1.2
311.12848	0.8
311.16467	1.8
313.10730	1.7
313.14429	36.9
314.14893	1.9
317.13962	1.3
321.14969	2.2
323.12900	1.0
329.13947	1.0
329.17432	1.4
331.15482	10.7
332.16107	1.4
339.15982	6.8
357.17068	7.8
375.18100	2.6
404.56369	0.8
567.24036	3.7
611.27313	3.5
748.44135	0.7
786.40302	0.9
793.37610	0.8
809.45129	2.7
811.42004	1.2
813.43475	1.1
827.45764	16.1
828.46313	1.9
871.48303	10.1
872.48944	1.3
879.43671	0.9
887.48224	1.3
897.46722	2.2
915.48328	3.7
941.44806	2.8
959.46381	86.7
960.46558	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	959.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.2
69.03446	0.9
71.53973	0.2
85.02955	0.6
87.00877	1.9
93.03477	0.5
97.06581	2.7
109.02937	0.5
111.04512	0.2
121.02943	1.5
122.03734	0.6
123.04523	2.0
124.01670	0.2
129.07146	0.2
133.02992	0.3
135.04494	0.7
137.02464	0.3
139.04022	0.4
145.02939	0.9
146.03731	4.1
147.04591	0.9
147.08160	0.2
148.05185	0.2
149.02423	0.8
149.06116	0.5
151.00420	0.3
157.06599	0.3
158.03706	0.3
159.04497	5.0
159.05809	0.3
159.08136	0.2
160.05299	0.7
161.02452	0.6
161.06067	2.1
162.03249	1.0
162.06879	0.2
163.04002	2.8
163.07635	1.4
164.04788	5.1
165.09242	0.3
170.03813	0.2
171.04500	0.3
171.08160	0.3
172.05269	1.0
173.02458	1.0
173.06073	1.4
173.09712	0.2
174.03252	2.3
174.06851	8.3
175.03989	1.3
175.07629	5.3
176.04755	0.2
185.06052	0.8
186.06851	1.8
187.04036	0.6
187.07651	1.5
188.04782	37.3
189.01938	0.4
189.05547	11.4
189.09085	0.8
190.06325	1.0
191.07137	0.3
191.10765	0.4
193.04988	0.2
196.05302	0.9
197.09686	0.2
199.03978	0.4
199.07616	1.3
200.04794	0.6
200.08397	0.7
201.05579	1.4
201.09068	0.7
202.06436	0.8
203.05174	0.2
203.07127	6.7
204.07903	8.3
205.08684	1.0
206.14174	0.2
209.06041	0.3
210.06870	0.4
212.04851	0.1
213.05515	1.0
214.06348	7.0
215.06998	0.6
215.10741	1.4
216.07874	1.1
217.08679	100.0
218.05772	0.4
218.09001	4.5
219.10263	1.5
223.07677	0.3
224.08376	0.2
225.09171	1.7
227.07156	0.4
228.07927	0.4
232.07396	3.1
233.07956	0.3
234.01700	0.6
242.09445	0.2
243.10245	16.8
244.10686	0.8
245.08257	0.2
252.02681	0.7
255.02905	0.3
259.09708	0.6
261.11298	44.0
262.11649	2.2
271.02451	0.6
278.44455	0.1
287.09381	0.6
300.02731	1.6
301.03320	0.2
305.10812	0.4
315.05048	1.0
331.08304	0.5
349.09265	14.5
350.09607	0.6
363.10983	0.7
595.12769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60226	0.2
67.30147	0.2
69.03455	0.3
71.01376	1.3
71.54349	0.3
73.02954	0.2
75.00869	0.5
83.05025	0.2
85.02966	0.8
87.00873	100.0
88.01201	1.0
89.02438	0.3
93.03458	0.8
95.01411	0.2
96.72589	0.2
96.96021	0.5
97.06600	0.2
99.00893	0.4
101.02442	0.4
107.05019	0.5
108.02115	0.2
109.02957	0.3
111.00796	0.2
113.02451	0.8
115.00400	0.3
119.05009	0.4
121.02958	2.0
122.03735	3.3
123.04527	0.6
124.01637	0.5
130.99860	65.9
132.00729	1.2
133.02910	0.4
135.04549	2.2
137.02419	2.0
139.04041	0.3
145.02945	0.3
147.04520	2.2
148.05318	1.3
149.02423	0.6
149.06041	0.5
150.03131	0.2
151.03986	0.3
154.02748	1.0
159.04489	0.4
161.02400	0.2
161.06079	0.3
162.03189	0.4
163.04012	1.0
163.07655	0.2
164.04771	0.9
165.04138	0.2
165.05600	0.5
173.04491	0.2
173.09723	0.3
174.03188	0.3
175.03998	0.4
176.04640	0.2
187.07642	0.3
188.08409	0.2
191.03532	0.5
191.10806	0.3
192.04382	0.9
194.02087	0.2
201.05560	0.2
201.09218	1.6
209.11830	0.5
219.10278	0.5
223.06033	0.4
229.08694	0.3
240.04225	0.3
243.10161	0.3
254.04305	89.0
255.02505	0.3
255.04700	3.3
271.02408	0.3
271.09619	0.3
283.02420	0.2
284.03326	1.9
299.02396	0.3
299.05606	2.1
300.02725	0.6
313.14261	0.3
315.05017	1.2
333.09579	0.9
351.10812	71.4
352.11151	4.3
401.52600	0.2
422.15347	0.2
503.33051	0.3
583.73779	0.2
607.14490	0.3
698.26221	0.2
958.51166	1.2
959.36420	1.3
959.53876	0.5
960.40570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.6
68.99810	2.4
69.03448	1.0
69.36048	1.5
69.36455	0.6
71.01376	26.1
72.99301	3.3
73.02940	6.9
74.22173	0.3
75.00866	10.1
81.03445	0.6
81.93655	0.3
83.01378	3.7
83.05011	1.3
85.02944	16.0
86.00106	1.5
87.00871	9.2
87.04510	2.8
89.02437	8.3
91.05539	0.3
93.03464	0.7
95.01379	4.7
96.96014	0.3
97.02937	0.8
97.06564	0.3
99.00871	9.2
99.04514	0.7
101.02435	11.2
102.59631	0.3
103.03998	2.2
105.03435	0.5
105.89169	0.2
109.02916	0.4
111.00877	0.8
112.01672	0.6
113.02443	10.5
115.00396	0.3
115.04005	2.1
117.03498	0.3
119.03496	1.4
119.05009	1.3
121.02934	1.7
122.03776	0.2
123.04588	0.3
125.02422	0.7
129.01942	0.4
131.03496	4.8
133.02922	0.3
134.03712	0.4
135.04544	0.3
137.02411	1.4
139.00391	0.5
139.03984	0.4
143.03481	5.7
145.02982	0.6
145.05087	1.3
146.03726	0.3
147.04509	6.7
148.05284	1.2
149.06059	0.7
151.00371	0.3
152.01173	0.2
157.01414	0.8
160.01814	0.3
161.02490	1.5
161.04556	1.3
163.06097	1.8
165.04076	0.2
165.05634	0.4
173.04523	0.9
175.04019	0.5
176.04709	0.4
191.03448	1.9
191.05373	0.5
191.07182	0.3
192.04187	1.0
192.35606	0.2
193.05026	0.6
205.07130	3.8
245.11758	0.4
255.02902	0.5
267.06955	0.3
279.52026	0.3
284.03171	1.3
289.10800	0.9
299.05658	0.6
300.02682	0.9
315.04971	0.4
333.09760	8.2
334.10248	0.4
351.10956	0.5
471.34882	2.7
473.36340	1.2
541.38837	2.1
587.39124	0.3
599.21869	0.3
622.38348	0.3
631.38965	0.6
914.37476	0.3
939.49194	1.5
957.50531	100.0
958.50891	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	955.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	5.0
69.95552	7.5
71.01379	100.0
71.05773	1.2
72.01703	1.6
72.99305	5.7
73.02942	66.2
75.00858	4.3
77.89958	1.3
78.95894	1.5
81.03539	1.2
83.01375	22.4
85.02945	29.1
85.03457	2.1
87.00852	11.3
89.02442	29.3
95.01379	6.8
96.95991	1.7
97.02934	3.4
98.19955	2.1
99.00880	4.9
101.02436	65.1
113.02447	49.1
119.03481	10.4
119.05027	1.8
125.02422	3.5
130.99870	1.9
131.03477	5.1
137.02402	1.9
143.03500	6.0
147.04489	3.0
149.04546	6.8
155.03352	1.8
161.02493	1.5
161.04553	15.0
163.03979	1.8
179.05568	3.7
237.45056	1.5
269.04361	1.9
284.03229	4.2
287.54373	1.4
299.05505	3.2
300.02719	2.2
747.46747	37.7
748.47296	5.3
765.47833	48.3
766.47784	7.9
783.49030	11.1
807.48914	71.8
808.49896	9.5
825.50085	44.9
826.50104	7.1
867.35278	2.3
867.51233	35.2
868.51361	4.0
955.42780	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	955.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.6
68.99825	1.6
69.03450	1.1
69.38076	1.7
69.73473	0.2
71.01382	26.7
72.01711	0.3
72.99306	3.3
73.02948	7.3
75.00872	9.9
81.03469	0.5
83.01386	4.0
84.02245	0.3
84.17232	0.2
85.02950	16.6
86.00098	1.5
87.00872	9.7
87.04517	2.5
89.02447	8.6
89.03007	0.3
93.03437	0.3
95.01392	4.2
97.02941	1.0
99.00886	11.2
99.01540	0.6
99.04501	0.4
100.01149	0.2
101.02441	10.9
103.04008	3.1
109.60959	0.2
111.00887	0.8
112.01659	0.6
113.02448	11.7
115.00316	0.4
115.04008	2.9
119.03513	2.2
125.02406	0.7
127.03984	0.3
129.01903	0.3
130.99904	0.4
131.03494	5.1
134.03712	0.3
137.02365	0.3
139.00346	0.7
143.02431	0.4
143.03506	6.7
145.05049	1.2
147.04538	0.5
149.05934	0.2
157.01392	1.1
161.04553	1.5
163.06114	2.2
205.07146	3.8
247.08168	0.4
264.14441	0.3
284.03265	0.6
299.05698	0.5
332.43137	0.3
423.32257	0.4
439.32037	0.6
441.33545	0.7
469.32971	1.6
471.35278	0.4
509.36148	0.5
511.33536	0.3
539.37183	1.0
629.37073	0.5
713.33630	0.3
754.69269	0.3
809.22601	0.3
849.48633	0.3
937.48438	1.6
938.49194	0.4
955.49048	100.0
956.49231	14.5
982.45288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.7
68.99819	2.0
69.03447	1.3
71.01378	29.7
71.31438	0.5
72.99297	3.3
73.02946	8.2
75.00868	10.8
83.01386	4.8
85.02946	17.9
86.00069	1.3
86.03277	0.3
87.00873	9.2
87.04504	3.0
89.02441	8.8
89.08456	0.3
93.03426	0.4
94.36043	0.3
95.01381	4.4
97.02943	1.2
99.00875	13.0
99.04533	0.6
101.02438	12.6
103.04012	3.5
111.00843	0.5
112.01679	0.6
113.02444	11.4
115.00367	0.4
115.03996	3.5
119.03514	2.0
125.02426	0.7
127.03992	0.4
131.03493	5.6
139.00385	0.3
143.03497	6.7
145.05043	1.1
157.01456	0.9
161.04538	1.0
163.06108	2.0
190.35808	0.3
205.07133	4.2
230.56931	0.3
247.08197	0.5
280.15683	0.2
336.69955	0.3
405.31650	1.2
437.30426	0.4
439.32074	0.6
467.31662	1.8
487.34390	0.3
501.28104	0.4
507.34598	1.0
537.35785	0.4
627.35431	0.7
935.47302	1.4
935.63580	0.3
936.46844	0.4
953.47400	100.0
954.47644	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	953.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.7
68.99807	2.1
69.03423	1.7
69.73034	0.4
71.01377	31.7
71.24934	0.5
72.99292	2.4
73.02934	8.4
75.00476	0.8
75.00868	11.0
81.03431	0.6
81.94504	0.4
83.01382	4.5
83.05026	1.0
85.02943	18.3
86.00079	1.5
87.00873	11.2
87.04508	3.6
89.02438	10.1
94.10137	0.4
94.60638	0.5
95.01376	4.6
97.02939	0.8
99.00873	13.8
99.04488	0.5
101.01804	0.9
101.02436	12.8
103.04003	3.2
111.00840	0.7
113.02444	13.0
115.00376	0.8
115.03336	0.4
115.04012	3.3
119.03519	2.3
125.02399	1.3
129.01880	0.8
131.03497	6.4
139.00327	0.5
143.03488	7.5
143.04503	0.9
145.05058	0.8
157.01454	0.6
161.04526	1.5
163.06105	2.3
205.07152	3.7
281.65384	0.5
284.03329	1.1
299.05573	1.4
405.31595	2.1
467.31445	2.2
507.33170	0.5
527.21246	0.5
537.35730	2.0
645.55731	0.7
935.46332	1.7
953.47394	100.0
954.47845	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	955.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	1.2
69.03452	1.3
71.01379	24.1
71.54465	1.5
72.99297	4.1
73.02953	4.3
75.00867	5.7
80.64400	0.8
81.03445	1.2
83.01376	3.5
85.02948	14.2
86.00060	0.9
87.00877	11.7
89.02439	5.2
93.03403	2.0
95.01379	3.7
96.95982	0.9
97.02920	1.1
99.00266	1.4
99.00874	14.6
101.02438	7.8
103.03991	1.8
111.00864	1.9
113.02437	8.5
115.00332	1.6
115.03999	1.5
119.03466	1.3
123.04486	1.3
125.02432	0.9
126.73621	1.0
131.03467	3.7
134.03740	1.1
137.02480	1.8
143.03499	4.1
147.04497	1.5
149.02457	1.1
151.00414	1.6
163.06023	1.2
164.04684	0.8
165.01883	0.9
165.05511	1.6
171.04559	0.9
173.04471	1.4
174.03249	0.9
193.05040	1.2
205.07138	2.6
269.04507	1.6
269.08139	1.5
284.03323	3.4
295.13080	0.9
299.05621	2.8
314.04102	1.1
316.48965	1.0
329.06543	1.2
349.20139	1.5
469.32925	1.6
471.34714	4.4
511.25696	1.5
539.37421	3.0
553.35083	1.5
567.36877	1.2
585.38477	1.6
613.09998	9.4
614.10065	2.0
629.36890	6.0
729.41388	1.5
747.43060	2.4
937.49139	2.4
955.49091	100.0
956.49487	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	953.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01917	0.6
68.99817	2.7
69.03455	1.3
69.50902	1.7
71.01379	32.7
71.05019	0.3
72.01728	0.4
72.99308	4.0
73.02944	9.2
75.00871	11.5
75.01304	0.6
79.09987	0.2
81.03449	0.6
83.01387	4.4
83.05022	17.0
84.02138	0.3
84.05396	0.3
85.02947	19.1
86.00089	2.0
86.03313	0.3
87.00335	0.6
87.00875	10.9
87.04512	2.6
89.02441	10.3
95.01386	5.4
96.96002	0.4
97.02944	1.0
98.19926	0.4
99.00877	14.3
99.04488	0.4
101.02440	14.2
102.02759	0.2
103.04019	3.5
111.00880	0.8
112.01634	0.5
113.02447	12.9
115.00385	0.6
115.04017	2.7
119.03528	1.9
125.02454	0.9
127.03975	0.3
129.01964	0.5
131.03499	6.2
139.00369	0.7
141.94032	0.3
143.03497	7.5
145.05057	1.6
147.04509	0.3
157.01413	1.1
161.04485	1.2
163.06111	2.6
172.85863	0.3
190.98418	0.2
205.07161	4.2
247.08337	0.4
284.03247	0.8
299.05524	0.6
339.26944	0.6
389.28329	0.5
405.31409	1.8
423.32742	2.7
447.16711	0.5
493.36960	1.3
537.36005	0.5
551.62109	0.3
627.34961	0.5
891.47699	0.3
909.48578	4.4
910.48584	0.8
935.46320	1.5
953.47424	100.0
954.47748	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	949.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99816	0.9
69.17188	0.9
69.17607	2.8
71.01375	6.6
72.99303	1.9
73.02942	0.8
75.00864	2.8
83.01381	2.0
84.02155	3.2
85.02943	100.0
86.03271	1.6
87.00868	3.1
89.02434	2.2
93.03465	2.1
99.00900	0.5
101.02448	1.1
103.00368	1.7
110.00062	0.6
111.00879	1.1
115.00377	1.2
117.03457	1.0
119.05019	53.7
120.05360	1.3
127.76512	0.4
129.01939	9.8
130.02251	0.4
130.99849	0.8
131.12379	0.3
133.01447	2.2
136.98779	2.1
137.02362	0.4
139.00369	0.6
145.02954	2.4
147.02991	10.4
152.82652	0.3
159.04466	0.6
163.03995	37.2
164.04333	1.1
164.98221	1.0
165.04001	0.9
165.99063	1.3
166.99854	0.5
173.00862	1.3
173.04573	0.4
181.01401	0.6
187.04008	0.5
191.01953	72.6
192.02271	1.5
193.05067	0.4
209.03003	36.5
210.03404	0.5
216.04256	0.9
220.83572	0.3
227.03470	0.7
231.06732	0.4
237.09126	1.9
240.04208	1.2
243.02946	1.4
244.03781	0.9
255.02808	0.8
271.02435	4.3
272.03232	9.2
273.03552	0.5
283.02457	0.4
284.03235	17.2
285.03622	0.8
286.04871	0.4
287.05615	8.7
287.08685	0.3
293.06577	1.8
299.05588	34.4
300.02805	0.7
300.05969	1.6
337.05621	2.3
351.10745	0.5
352.10983	0.4
355.06653	4.0
404.08853	0.6
419.11273	7.9
463.10321	1.5
581.15015	1.1
593.14124	0.7
595.12726	0.4
655.13007	1.7
658.32446	0.4
713.20990	1.0
757.19958	0.6
949.22968	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	948.48
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	36.5
71.53976	18.9
78.95926	17.8
79.34853	13.4
87.00922	15.3
88.98818	19.8
89.02435	28.2
101.02419	20.2
133.85547	16.7
167.01927	15.0
199.86258	14.9
201.71642	14.0
209.11766	100.0
210.12067	43.5
216.24408	15.2
227.12901	17.8
277.21613	58.3
303.77792	15.5
308.59830	16.0
397.13675	28.7
904.48828	21.6
948.48779	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	949.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.8
69.68571	0.6
69.68974	1.1
71.01376	6.0
72.99304	1.9
73.02949	0.5
75.00872	3.3
83.01370	2.1
84.02166	2.7
85.02949	100.0
85.60805	0.3
86.03285	1.0
87.00869	2.0
89.02444	2.3
93.03455	0.9
96.99290	0.4
99.00912	0.7
101.02431	0.8
103.00378	1.9
110.00089	0.7
111.00872	0.7
113.74406	0.3
115.00364	1.5
117.03493	0.9
119.05026	65.5
120.05376	1.6
129.01941	11.1
130.02353	0.3
133.01407	2.1
136.98805	1.9
137.02402	0.3
139.00444	0.3
145.02936	2.4
147.02994	10.0
155.74779	0.3
163.04005	49.5
164.04353	1.0
164.98279	1.2
165.04056	0.8
165.99060	1.2
166.99879	0.3
173.00900	1.3
173.04556	0.3
181.01404	0.8
184.05336	0.3
191.01965	67.0
192.02245	1.0
209.03015	35.4
210.03275	0.8
215.03519	0.8
216.04211	0.8
227.03488	0.9
228.04221	0.4
231.06528	0.5
237.09215	2.0
240.04263	0.9
243.03026	1.7
244.03740	0.5
255.03011	0.9
256.03543	0.5
258.79459	0.3
267.57993	0.3
271.02502	4.1
272.03250	10.8
273.03528	0.4
283.02512	0.6
284.03256	17.8
285.03613	1.5
286.04703	0.6
287.05588	7.5
293.06509	2.5
299.05588	40.5
300.05945	2.2
301.10690	0.4
337.05634	2.8
355.06741	3.3
386.07645	0.4
401.28494	0.3
404.08771	0.6
419.11353	7.6
420.11774	0.6
459.54846	0.3
463.10306	0.9
581.15021	1.3
593.14563	1.1
637.12134	0.9
655.13177	1.1
713.21051	0.7
757.19977	0.7
931.21637	0.9
949.22528	2.7
950.22266	0.5
963.74591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.6
69.35820	2.1
71.01373	5.9
72.99301	1.9
73.02943	0.5
75.00867	3.0
78.43639	0.3
83.01377	2.3
84.02168	3.0
85.02945	100.0
86.03291	1.4
87.00867	2.1
89.02441	2.1
90.63159	0.3
93.03447	1.4
99.00870	0.7
101.02431	0.8
103.00372	2.1
110.00119	0.7
111.00865	1.3
113.02431	0.3
115.00368	1.1
117.03456	0.9
119.05020	70.7
120.05347	1.7
122.66260	0.3
129.01933	12.6
133.01428	2.2
136.98761	1.7
137.02379	0.3
139.00414	0.5
145.02937	3.2
147.02985	10.1
149.02409	0.3
154.67894	0.3
155.03552	0.4
163.03998	51.6
164.04286	1.6
164.98280	1.3
165.04047	0.9
165.99042	1.5
166.99834	0.4
173.00920	1.6
173.04539	1.1
178.99925	0.4
181.01465	0.5
191.01956	68.2
192.02292	0.9
193.04941	0.4
209.03003	36.6
210.03308	0.7
210.51132	0.4
215.03496	0.7
216.04272	0.7
227.03409	0.5
231.06508	0.7
237.09180	2.3
240.04247	1.2
243.02983	1.4
244.03568	0.6
248.03255	0.4
255.02960	0.8
256.03802	0.3
270.01651	0.5
271.02408	3.4
272.03241	11.4
273.03540	0.8
283.02502	0.5
284.03238	20.4
285.03659	1.2
287.05603	8.8
293.06506	2.1
299.05576	44.9
300.05869	2.2
319.04584	0.3
323.06326	0.4
337.05664	2.6
355.06729	3.9
359.09268	0.4
393.82953	0.3
404.08884	0.5
419.11310	9.2
420.11615	0.6
445.09158	0.4
453.36423	0.3
463.10370	1.7
533.12933	0.3
581.07111	0.4
581.15009	1.8
593.14874	0.9
615.43683	0.3
637.12018	1.2
655.13342	1.1
713.21198	0.7
925.81396	0.3
931.21960	0.5
949.22992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98325	24.4
71.01381	16.9
78.95930	10.5
87.00877	8.6
89.02452	9.2
99.92544	15.9
101.02475	7.2
116.92854	100.0
140.40543	5.8
147.04527	18.2
159.04509	7.3
207.10223	18.6
208.10582	18.3
209.11880	63.8
210.12160	20.6
225.11340	13.5
234.71840	6.8
263.19946	9.0
271.54300	7.2
277.21655	57.3
278.22137	32.9
297.15225	9.1
337.68570	6.8
341.17456	6.3
342.17703	7.7
397.13562	14.8
398.13669	9.7
399.14014	11.4
416.14948	7.5
429.31610	6.5
471.58121	6.5
886.47888	19.1
902.49908	9.7
928.46161	8.1
945.47784	12.6
946.47925	44.7
947.49030	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	947.412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.0
69.38239	2.7
69.38646	2.9
71.01376	62.7
72.99305	2.8
73.02942	35.6
83.01384	10.2
85.02942	20.5
87.00866	5.0
89.02441	32.8
89.03017	1.2
95.01381	3.6
97.02949	1.4
99.00888	2.8
101.02433	41.6
113.02446	29.1
113.03253	0.9
114.02820	1.0
115.32459	0.8
119.03491	11.9
125.02462	1.7
131.03479	2.9
138.34402	0.8
143.03479	5.0
149.04562	4.3
153.09259	0.9
159.03009	1.4
161.04536	15.5
169.87650	0.9
173.09703	2.2
179.05614	3.7
189.12827	22.2
190.13274	1.1
190.30351	0.8
191.02002	0.9
191.05612	1.3
207.13878	3.9
209.03011	1.1
221.06682	3.1
344.60498	0.8
369.19147	14.3
370.19165	0.9
387.20203	37.7
388.20471	1.9
429.21252	100.0
430.21622	8.4
431.19168	1.0
513.84589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91696	12.7
71.01381	27.8
87.00890	17.6
89.02459	25.7
101.02438	23.6
113.02391	11.9
122.90816	9.8
147.62685	10.9
188.24902	10.0
209.11900	55.1
210.12126	21.2
211.12256	15.2
229.67648	10.2
255.23305	41.1
256.23529	13.0
277.21695	32.9
278.22095	27.6
293.21136	57.2
294.21429	18.8
330.45517	12.7
397.13522	100.0
398.14020	50.3
400.13748	11.3
415.14563	23.6
416.14825	13.8
457.60321	10.8
639.96497	12.3
654.37555	14.5
691.03412	12.5
740.84235	12.1
808.48425	10.6
853.18048	11.9
948.46973	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.6
70.21163	0.7
71.01363	1.1
73.02927	0.3
73.37757	0.2
84.43822	0.2
85.02940	1.6
85.07732	0.2
87.00875	13.3
89.02451	0.4
93.03465	0.8
97.06589	2.9
99.00854	0.3
101.02431	0.8
107.05013	0.5
108.02184	0.2
109.02936	0.6
111.04525	0.4
112.99879	0.2
113.02437	0.5
115.00365	0.4
116.63725	0.2
117.03433	1.1
118.03834	0.3
119.05003	1.0
121.02965	3.8
122.03745	1.2
123.00854	0.2
123.04565	1.3
130.99873	1.9
133.02965	0.3
135.04521	0.3
135.08144	0.7
137.02475	1.1
139.04053	0.3
145.02946	5.8
146.03757	3.6
147.03482	0.3
147.04544	3.1
148.05310	1.1
149.02336	0.3
149.06094	1.4
151.00290	0.2
157.06546	0.4
159.04480	1.0
160.05321	0.3
161.02415	0.4
161.06032	0.6
162.06848	1.7
163.03993	0.8
163.07649	3.7
164.04614	0.4
165.05577	0.3
171.08110	0.3
172.05267	2.2
173.04507	0.7
173.06046	1.6
173.09723	1.9
174.03183	1.0
174.06805	0.5
175.04051	1.3
175.07622	6.4
176.04814	0.5
176.08133	0.4
177.05623	0.3
180.04301	0.3
185.06084	0.5
186.06888	1.6
187.03989	0.4
187.07645	3.1
188.04785	1.0
188.08406	1.1
189.00154	0.9
189.01810	0.4
189.05534	1.2
189.09189	1.5
190.06340	2.0
191.03464	0.9
191.05614	0.9
191.10809	2.2
192.04301	0.3
193.05086	0.8
197.06116	0.5
198.06871	0.7
199.07619	0.4
200.04784	3.1
201.05450	0.7
201.09207	7.5
202.09599	0.5
203.07144	2.5
204.04227	0.3
204.07875	1.9
205.03329	0.3
211.07675	0.3
214.06331	0.7
215.07097	1.6
215.10696	0.3
216.07938	1.2
217.05176	0.3
217.08687	2.6
217.12218	1.7
218.05870	0.4
218.09444	0.3
219.10246	14.3
220.10585	0.8
227.07326	0.4
227.10760	4.5
228.07915	0.9
229.06389	0.5
229.08682	10.4
230.08980	0.3
232.07243	0.3
242.05737	0.4
243.10265	1.7
244.10617	0.6
245.08305	1.4
245.11850	3.4
247.09749	1.2
254.04373	0.7
255.02895	0.4
260.06943	0.3
261.11307	3.8
271.02460	0.5
271.09692	2.4
273.07672	6.8
274.07944	0.4
284.03204	1.5
285.03705	0.3
289.10782	6.3
290.11063	0.4
291.08728	3.5
299.05530	1.4
300.02802	0.4
307.11813	0.4
315.08759	0.3
333.09778	5.9
334.10266	0.4
349.09293	2.0
350.09579	1.7
351.10822	100.0
352.11185	5.2
383.07767	0.4
412.22208	0.3
706.16919	0.3
847.89484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99550	1.3
69.03447	1.8
70.64766	3.1
71.01381	22.7
72.99288	1.3
73.02950	3.6
78.34989	1.1
81.03456	3.0
83.01373	2.3
83.05011	1.8
84.77657	1.0
85.02943	6.7
87.00864	4.2
89.02442	15.8
93.03454	1.4
95.01381	2.2
95.05039	1.3
97.02959	9.1
97.80211	1.1
99.00872	2.5
101.02442	16.2
109.02953	1.8
109.06589	22.3
110.03773	1.2
113.02460	7.9
119.03495	3.7
119.05008	2.5
121.02943	1.6
121.06599	2.1
124.01633	1.4
125.02422	5.2
133.02934	1.8
135.08180	1.4
136.05287	1.5
137.02441	5.8
139.03957	3.0
141.01888	1.9
142.02704	1.7
143.03467	3.1
146.03690	3.8
147.04515	29.8
148.05316	7.5
148.99699	1.2
159.04503	11.2
160.05275	4.8
161.04521	3.6
161.06049	4.7
163.11270	15.3
172.05296	10.9
173.06070	22.9
174.03188	3.4
174.06897	7.0
175.04068	1.8
176.04713	1.9
179.05571	4.3
181.12335	3.6
185.06036	5.7
186.06863	6.0
187.04024	8.5
187.07603	7.8
188.08392	2.3
189.05617	9.7
189.09187	2.5
191.03467	1.4
192.04332	2.4
196.05244	2.7
197.06035	4.9
198.06792	3.3
199.07607	2.1
200.04797	3.2
200.08383	3.5
201.05550	15.2
201.08894	1.3
202.06137	1.4
207.10242	76.0
208.10629	1.3
209.11714	1.6
211.07652	1.9
211.13362	4.7
212.08455	2.5
213.09041	1.3
214.06294	2.1
215.07114	7.2
216.07890	15.3
221.06648	1.1
225.09268	1.5
225.11270	27.5
235.08168	3.4
242.05605	1.5
253.09328	1.2
255.13910	1.4
260.06790	1.8
267.14014	1.3
269.15396	2.7
271.13290	1.5
277.21698	68.4
278.22006	3.1
279.17184	1.1
283.13379	6.1
283.28262	1.1
285.14856	6.2
297.14944	37.2
297.18231	2.0
298.15317	2.5
300.13544	3.5
301.14157	2.1
305.08820	1.8
311.12894	6.1
311.16220	1.9
313.18030	3.4
315.15970	9.3
321.15140	1.9
323.16513	24.0
325.14362	1.8
329.13980	2.6
339.15903	3.4
340.16437	1.5
341.17538	45.2
342.17676	2.1
357.17017	1.6
359.18631	7.0
367.15427	2.4
379.12488	8.0
385.16544	4.0
397.13489	44.8
398.13666	2.5
403.17853	1.3
415.14594	10.3
467.98596	1.1
476.34384	1.2
577.25885	1.5
587.23535	1.5
593.25586	1.2
595.27380	4.5
605.24506	5.3
623.25494	4.3
639.26361	3.0
675.35724	3.1
837.47260	2.2
855.48621	8.8
865.45685	1.8
881.47028	3.6
883.46985	52.8
884.47015	8.4
899.47955	25.2
900.47382	4.0
925.45575	14.7
926.46014	2.5
943.46857	100.0
944.47382	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	946.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98325	24.4
71.01381	16.9
78.95930	10.5
87.00877	8.6
89.02452	9.2
99.92544	15.9
101.02475	7.2
116.92854	100.0
140.40543	5.8
147.04527	18.2
159.04509	7.3
207.10223	18.6
208.10582	18.3
209.11880	63.8
210.12160	20.6
225.11340	13.5
234.71840	6.8
263.19946	9.0
271.54300	7.2
277.21655	57.3
278.22137	32.9
297.15225	9.1
337.68570	6.8
341.17456	6.3
342.17703	7.7
397.13562	14.8
398.13669	9.7
399.14014	11.4
416.14948	7.5
429.31610	6.5
471.58121	6.5
886.47888	19.1
902.49908	9.7
928.46161	8.1
945.47784	12.6
946.47925	44.7
947.49030	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	943.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	8.8
71.10370	1.6
71.10689	1.6
81.50176	1.5
81.54631	1.5
81.99279	1.3
83.01385	1.9
85.02939	2.2
87.00875	1.7
89.02424	4.1
91.05516	3.1
92.28205	1.6
93.03458	1.5
95.05009	1.6
97.02941	1.5
101.02423	5.9
105.03441	2.9
109.06583	5.3
113.02425	2.2
119.03473	1.7
119.05019	5.2
121.03001	3.2
130.04240	1.3
137.02454	8.4
139.03975	1.5
145.02922	1.6
146.03687	4.0
147.04524	37.2
148.05360	7.6
159.04497	10.4
160.05260	3.5
160.61307	1.6
161.06027	4.5
163.11192	3.7
163.76630	1.3
172.05275	9.1
173.06058	20.9
174.03152	4.6
174.06795	3.9
175.03934	1.9
176.04872	2.0
176.39439	1.5
185.06038	4.3
186.06873	6.9
187.04027	8.3
187.07550	6.1
188.04660	3.2
188.08395	2.5
189.05576	8.0
192.04289	2.6
194.24736	1.6
196.05235	2.7
197.05957	4.8
198.06795	4.6
199.07646	4.1
200.04755	3.2
200.08366	4.4
201.05579	12.0
207.10260	13.1
211.13336	3.9
212.08475	2.4
213.05461	1.9
215.07031	7.7
216.07915	14.0
217.01476	2.1
218.02051	2.3
218.05760	1.8
225.11279	6.1
226.10020	1.5
235.08202	1.7
241.12303	2.7
242.05911	2.5
260.06903	2.1
269.15390	2.7
277.21686	22.6
283.13425	5.3
285.14801	4.9
297.14944	34.7
298.15222	2.1
300.13541	2.7
301.14307	1.7
311.12842	4.6
312.13525	1.8
313.17975	5.1
315.15851	6.6
321.14856	3.3
322.15256	2.3
323.16504	22.9
325.14148	1.7
339.15942	6.3
340.16327	2.8
341.17551	35.7
342.17743	2.0
357.17163	1.8
359.18607	4.8
367.15430	3.4
385.16495	2.3
397.13348	9.3
415.14996	2.0
515.22089	1.5
595.27576	2.3
639.26794	3.0
837.47559	3.7
855.48792	9.7
881.46912	4.1
883.46979	8.6
899.47815	23.1
900.47681	2.9
910.24573	1.6
925.46051	10.6
926.45050	2.4
943.46863	100.0
944.47284	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	943.467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.6
70.27023	2.5
71.01002	1.7
71.01379	18.9
73.02944	3.0
81.03455	2.6
82.22626	0.9
83.01373	2.4
83.05035	2.6
85.02942	5.6
87.00887	3.5
89.02438	13.0
93.03484	1.2
95.01368	2.0
95.05037	1.7
97.02948	6.9
99.00895	2.3
101.02454	14.0
101.37617	1.0
105.03412	1.2
109.02935	2.6
109.06596	16.5
113.02448	7.5
119.03515	3.0
119.04980	2.5
121.02939	2.5
122.03757	1.4
123.04471	1.0
125.02427	4.4
133.02965	1.1
135.04474	1.5
135.08110	1.6
136.05264	1.3
137.02434	7.4
139.00266	1.1
139.03992	3.3
143.03572	1.5
143.04974	1.0
146.03703	3.1
147.04523	32.5
148.05313	9.1
159.04494	10.9
160.05252	4.4
161.04521	2.7
161.06053	6.8
161.09569	1.2
163.03963	1.2
163.11311	10.5
172.05292	10.9
173.06081	24.0
174.03226	4.4
174.06851	6.4
175.03955	2.7
179.05589	3.6
179.99002	0.9
181.12381	1.8
181.57088	1.0
185.06021	4.8
186.06856	6.8
187.03979	7.1
187.07619	5.8
188.04794	1.1
188.08305	2.5
189.05557	10.2
191.03409	1.8
192.04265	3.6
196.05339	2.1
197.05981	4.3
198.06860	3.9
199.07571	3.2
200.04794	2.5
200.08398	3.5
201.05537	12.8
201.09291	1.7
207.10245	53.0
208.10605	2.1
211.07552	2.7
211.13379	3.5
212.08461	1.8
213.05569	2.3
214.06335	1.9
215.07098	7.2
216.07881	15.0
218.02281	1.0
218.05836	1.5
223.76598	1.0
224.04916	1.1
225.09232	2.0
225.11290	20.3
226.09918	1.5
235.08179	3.1
241.12209	1.8
242.05894	2.4
253.09404	2.3
260.06888	2.4
269.15497	2.5
271.16888	1.3
277.21698	52.7
278.21890	2.7
283.13391	5.6
285.14835	4.7
287.07712	1.1
295.13553	0.9
295.16977	1.8
297.14972	39.4
297.18088	1.4
298.15445	3.2
300.13586	3.4
301.14374	1.5
303.57391	1.1
311.12857	5.7
311.16342	1.6
312.13458	1.7
313.14661	1.2
313.18021	3.3
315.16055	10.5
321.14789	2.0
323.09943	1.3
323.12982	1.8
323.16510	22.6
324.16827	1.9
329.13864	2.0
329.17615	1.6
339.16101	4.1
340.16519	1.9
341.17554	43.6
342.17783	3.1
359.18610	6.4
367.15399	2.3
379.12415	5.0
385.16544	4.5
397.13470	35.0
398.14230	1.4
415.14502	7.8
428.39902	1.1
471.08771	1.0
577.26196	2.4
587.24249	1.4
595.27203	4.1
605.24420	4.1
621.26135	1.8
623.24683	1.9
639.26532	4.4
665.23450	1.2
675.35962	1.8
765.44971	1.4
776.57233	1.2
786.63397	1.1
837.47626	2.0
855.48914	10.7
856.49744	1.7
865.45941	1.2
881.46454	3.5
883.46948	41.4
884.47333	6.4
899.47736	27.7
900.48560	3.7
925.45734	12.9
926.46149	2.0
943.46875	100.0
944.47113	16.9
966.91583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.6
68.99815	2.5
69.03437	1.5
69.51341	0.4
69.99559	0.3
71.01379	33.3
71.54903	0.5
72.99305	4.1
73.02941	9.1
75.00871	11.8
81.03444	0.5
83.01388	5.1
83.02493	0.4
83.04999	0.4
85.02946	18.8
86.00085	1.8
87.00879	11.4
87.04507	2.9
89.02439	8.8
91.05513	0.9
93.03446	0.9
95.01385	5.5
96.96012	1.1
97.02962	1.1
99.00877	13.3
99.04494	0.6
101.02437	13.0
103.04002	2.1
105.03452	0.7
109.02960	0.5
111.00881	0.8
112.01605	0.6
113.02447	13.5
115.00408	0.8
115.04019	2.7
119.03493	1.7
119.05014	1.2
121.02938	0.7
123.04513	0.4
125.02419	1.5
127.04071	0.4
129.01927	0.5
131.03511	5.5
133.02956	0.5
134.03770	0.4
137.02441	2.0
139.03984	0.5
143.03490	7.0
145.05060	1.2
146.03745	0.7
147.04517	10.2
148.05214	1.3
149.06110	0.7
150.03275	0.7
151.04019	0.5
152.01160	0.5
157.01410	0.9
160.01590	0.5
161.02464	1.3
161.04535	1.8
163.04013	0.8
163.06102	2.3
173.04518	0.9
173.05972	0.5
175.03937	1.1
176.13692	0.5
177.01875	0.7
189.05627	0.4
190.02657	0.5
191.03487	2.2
191.05418	0.7
192.04294	1.9
193.04953	0.6
199.04266	0.5
205.03348	0.4
205.07184	3.9
271.02463	0.4
284.03256	2.8
285.03537	0.6
299.02286	0.6
299.05563	2.6
300.02774	1.0
300.05869	0.6
325.10590	0.5
333.09805	9.5
334.10025	0.8
339.15906	1.2
375.03970	0.4
425.34384	0.6
455.35214	2.6
460.34216	0.4
503.32217	0.5
525.39508	1.5
548.95996	0.5
567.18335	0.5
615.38635	0.7
687.29419	0.4
768.40363	0.4
885.62720	0.4
923.48785	1.9
941.51123	100.0
942.51471	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	943.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	3.1
71.01379	23.5
71.11095	1.9
71.11438	1.8
72.99307	2.3
73.02948	4.3
81.03448	2.9
83.01385	3.4
83.05027	3.6
85.02967	5.6
87.00885	6.2
89.02443	15.9
93.03471	1.8
95.01404	1.5
95.05035	1.8
97.02937	9.8
99.00884	4.3
101.02438	14.0
109.02934	2.8
109.06584	30.6
110.03748	1.3
111.00925	1.2
113.02452	7.0
119.03456	1.6
119.05015	2.6
121.02943	2.6
121.06599	1.9
123.04531	1.4
125.02461	7.3
127.13046	1.3
129.03465	1.2
135.04482	2.3
135.08138	3.1
137.02411	8.3
139.04018	2.8
142.02652	1.4
143.03505	2.1
144.05835	1.3
145.02953	1.4
146.03738	3.4
147.04515	30.5
148.05307	9.9
159.04486	14.8
160.05280	4.2
161.04556	3.5
161.06059	7.0
161.09700	1.5
163.11282	17.4
172.05309	10.9
173.06076	26.9
174.03201	5.0
174.06851	5.6
175.03946	1.9
176.04782	1.3
179.05602	4.0
181.12337	3.5
183.17528	1.1
185.06056	6.3
186.06923	7.7
187.04028	10.2
187.07672	9.1
188.04689	2.2
188.08391	3.0
189.05547	9.0
189.09180	1.9
191.03473	1.3
192.04242	2.8
196.05252	4.0
197.06090	5.7
198.06810	4.4
198.92831	1.2
199.07549	3.8
200.04767	3.2
200.08389	4.1
201.05557	17.9
201.09216	2.5
204.04202	1.3
207.10245	85.0
208.10504	3.3
209.06151	1.4
209.11783	4.0
211.07634	1.5
211.13397	4.8
212.08421	3.0
213.05508	1.6
213.09106	2.0
214.06346	2.6
215.07072	8.7
216.07921	18.7
218.02083	2.2
218.05792	2.6
221.06566	2.8
225.09306	1.7
225.11284	40.9
226.11737	1.5
235.08197	4.6
241.04692	1.1
241.12375	1.4
242.05887	1.9
243.12405	2.7
255.13919	2.0
260.06870	2.7
269.15311	2.5
277.21735	55.4
278.22000	3.6
283.13470	5.9
283.16153	1.2
285.15015	6.9
285.17926	1.5
295.16855	1.8
297.14938	44.4
297.18323	2.8
298.15265	3.9
300.13681	4.0
301.14481	2.5
305.08704	1.8
311.12897	5.0
311.16293	1.9
312.13504	1.3
312.38290	1.2
313.14539	1.6
313.18103	4.1
315.16031	9.0
321.14951	2.1
323.09940	1.4
323.16504	25.8
323.20309	1.5
324.16794	1.9
325.14200	1.5
339.16016	7.2
340.16370	3.2
341.17548	41.4
342.17856	2.3
359.18695	8.1
367.15585	3.1
379.12292	5.8
385.16431	3.9
397.13483	37.3
398.13739	2.3
415.14651	8.4
497.16577	1.4
577.25867	1.8
595.27264	4.7
605.24695	9.6
606.23981	1.7
621.25238	1.9
623.25604	7.8
639.26770	1.9
767.55579	1.3
837.47491	2.3
855.48389	12.8
865.46381	2.6
881.46637	4.5
883.46893	58.0
884.46826	8.1
899.47998	26.8
900.48016	2.6
925.45795	15.4
926.45825	2.2
943.46918	100.0
944.47137	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	1.5
69.03445	1.7
70.54926	1.5
71.01379	28.3
72.01714	0.7
72.99310	4.0
73.02942	7.4
75.00867	9.5
79.10353	0.5
81.03474	0.9
83.01380	4.3
85.02950	17.4
86.00092	2.2
87.00872	12.2
87.04502	2.4
89.02441	9.0
89.50146	0.6
93.03444	1.0
95.01381	4.0
97.02946	1.2
99.00875	10.9
99.04494	1.1
101.01804	0.7
101.02439	13.4
101.06071	1.2
103.04024	2.4
111.00874	0.9
112.01630	0.7
113.02451	11.2
114.04773	0.6
115.04009	1.9
119.03487	1.7
119.05006	0.8
121.02922	1.4
125.02434	1.2
126.05825	0.5
127.04015	0.8
131.03505	6.0
135.04555	0.7
137.02429	0.7
139.00352	0.8
143.03510	5.6
145.02911	1.1
145.05032	0.7
146.03673	0.6
147.04527	2.8
149.06026	1.1
157.01392	1.0
161.02385	0.9
161.04555	1.5
163.04024	1.4
163.06131	2.3
164.04729	0.8
171.71892	0.6
189.01920	0.6
190.02837	0.8
193.04970	0.6
205.07149	3.3
209.11768	1.8
211.13361	1.6
221.81007	0.5
228.59424	0.5
256.39584	0.5
284.03259	1.6
293.94666	0.5
299.05655	1.2
300.02823	1.0
300.22864	0.6
306.05518	0.5
347.74008	0.6
401.75107	0.6
429.15921	0.6
455.35410	3.3
457.36807	0.9
525.39594	2.0
537.07318	0.5
549.16675	0.7
821.38733	0.8
909.37933	0.8
923.51202	0.9
941.51288	100.0
942.51642	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	941.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	1.5
69.80605	2.8
69.81008	1.3
71.01382	28.8
72.01714	0.8
72.99316	2.9
73.02950	7.5
75.00876	9.9
75.14641	0.6
83.01394	4.4
85.02950	16.4
86.00111	1.5
87.00877	12.4
87.04505	3.0
88.01308	0.7
89.02451	7.3
95.01387	4.6
97.02954	0.8
99.00880	11.5
101.02444	10.4
103.03992	2.9
113.02451	11.2
115.04011	4.0
119.03525	1.8
119.05086	0.7
127.03977	0.9
131.03510	5.7
143.03477	5.3
145.04976	0.7
147.04546	0.9
156.66426	0.6
157.01453	0.9
161.04552	1.1
163.06168	1.5
205.07156	3.5
209.11809	1.3
329.17563	1.3
357.17026	0.9
455.35330	2.9
467.48630	0.8
525.39661	2.0
821.39899	1.0
923.50269	1.5
941.51239	100.0
942.51666	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	941.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01913	0.3
68.99808	2.2
69.03454	1.1
69.38148	2.0
71.01382	28.1
72.01735	0.3
72.99309	2.9
73.02946	8.8
75.00875	9.6
75.01308	0.5
77.14822	0.3
81.03431	0.3
83.01385	3.7
85.02947	14.9
86.00114	1.6
87.00877	9.5
87.04510	2.7
89.02444	7.7
89.03006	0.3
95.01386	4.9
97.02950	1.3
98.19926	0.5
99.00879	10.8
99.04509	0.5
101.02441	12.3
101.56427	0.3
103.04002	3.1
111.00880	0.8
112.01691	0.7
113.02448	10.4
115.04018	3.8
119.03497	1.6
125.02403	0.6
127.03969	0.4
131.03505	5.7
136.98788	0.3
139.00351	0.6
143.03506	6.0
145.05057	1.0
157.01405	0.7
161.04527	1.4
163.06119	2.2
170.64284	0.3
189.05417	0.3
189.40161	0.3
205.07178	4.6
219.17725	0.3
228.29202	0.3
249.06313	0.3
271.13232	0.3
313.14459	0.3
357.17203	0.6
455.35272	2.8
456.35666	0.3
457.36798	1.0
483.27252	0.3
525.39410	2.4
526.39844	0.3
569.38837	0.4
597.37982	0.3
768.60132	0.4
821.40143	0.6
866.32928	0.3
870.21350	0.3
886.83514	0.3
923.49670	1.4
941.51135	100.0
942.51331	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	941.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.6
71.01373	0.3
71.53696	0.3
71.55236	0.2
72.68598	0.2
81.03448	0.2
83.01400	0.2
85.02928	0.7
87.00884	0.4
93.03458	0.5
97.06531	0.2
99.83440	0.2
109.02940	1.2
113.02457	0.8
119.04994	0.2
121.06609	0.3
123.04533	0.3
127.00342	0.4
131.30119	0.2
133.02866	0.2
133.63548	0.2
135.04567	0.4
143.05019	0.7
145.02911	0.4
146.03720	0.8
149.06096	0.3
149.09645	0.4
155.08496	0.3
156.05804	0.9
157.06587	0.5
158.03757	0.4
159.04483	1.6
159.08171	0.3
160.01617	0.3
160.05266	1.4
161.02417	0.4
161.06047	1.1
163.04083	0.4
169.06543	0.5
170.03725	1.6
171.04497	0.8
171.08194	1.5
172.05293	9.0
173.06047	2.8
174.03197	0.7
174.06824	0.5
175.03978	0.5
175.07631	2.2
179.08635	1.0
180.05708	0.3
181.06656	0.4
181.10167	0.3
183.04530	0.5
183.08090	0.3
184.05283	1.3
185.06065	14.5
185.09647	0.5
186.06845	8.8
187.03999	0.8
187.07631	15.8
188.04784	1.1
188.08339	1.7
189.05547	4.4
189.09177	6.1
190.09505	0.4
195.04399	0.6
195.08148	0.5
196.05280	15.2
197.05896	1.6
197.09683	1.5
198.03206	0.3
198.06787	0.5
199.03978	4.5
199.07625	18.9
200.04678	0.8
200.08389	7.5
201.05499	0.7
201.09174	5.1
202.06302	0.8
203.07112	2.4
204.07892	10.2
205.08427	0.7
207.08110	1.7
208.05380	0.4
209.06056	16.0
210.06659	2.0
211.03844	0.4
211.07600	0.8
212.04782	1.5
213.05563	11.3
213.08896	1.8
214.06337	27.8
214.09874	1.5
215.06984	1.6
215.10756	4.9
217.08669	0.8
218.05739	0.3
223.07625	33.8
224.08369	11.6
225.09187	30.4
226.09578	1.8
227.07056	1.1
228.07889	5.0
229.08582	0.5
232.07439	0.8
239.07108	0.7
241.08676	6.4
242.09370	1.4
243.10228	100.0
244.07503	0.6
244.10555	5.1
255.02966	0.5
257.08151	1.3
259.09683	0.4
269.08191	2.0
271.02438	0.7
287.09232	11.5
288.09641	0.4
300.02771	2.5
315.05310	1.2
331.08194	39.6
332.08524	2.3
473.61670	0.2
499.43857	0.3
595.12750	0.4
605.07251	0.2
609.14825	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	939.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	0.5
68.99813	2.3
69.03447	1.4
69.98405	0.8
69.98814	1.5
71.01377	29.8
72.99303	3.3
73.02945	7.1
75.00868	10.9
81.03452	0.4
83.01382	4.8
83.05028	1.5
84.02158	0.4
85.02943	18.1
86.00086	1.3
87.00872	11.5
87.04492	3.0
88.98794	0.9
89.02445	7.7
93.03451	0.4
95.01395	4.7
96.95979	0.5
97.02943	1.5
99.00874	12.3
99.04490	0.6
101.02444	11.9
103.04012	2.5
111.00869	1.3
112.01627	0.5
113.02444	10.9
115.03999	3.0
119.03490	1.6
125.02394	0.7
131.03506	5.2
132.02145	0.5
139.00372	0.5
141.01967	0.6
143.03479	6.5
145.04987	0.6
147.04498	1.0
157.01408	1.0
161.04608	1.1
162.03210	0.5
163.03976	0.7
163.06108	1.8
170.00418	0.5
173.04503	0.6
190.02739	0.6
205.07118	4.0
209.11987	0.8
217.83681	0.5
218.84618	0.4
252.04291	3.2
267.06598	6.2
268.07004	0.5
284.03268	0.8
289.13043	0.4
299.05579	1.2
371.87677	0.5
405.31534	0.8
453.33533	3.3
523.37933	1.8
595.36285	0.5
613.37292	0.6
921.48700	1.6
939.49603	100.0
940.49884	15.6
940.65051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	2.1
69.03465	2.2
71.01379	33.3
71.46163	3.0
72.99310	4.1
73.02940	10.1
74.93307	1.3
75.00874	13.7
76.76030	1.1
78.95892	1.3
79.51912	1.3
83.01380	3.7
85.02948	21.4
86.00059	1.5
87.00880	15.6
87.04507	1.8
89.02434	7.9
91.90243	1.5
95.01394	5.3
99.00876	16.5
101.02427	14.2
103.04012	2.3
113.02441	12.7
115.04021	2.6
131.03485	4.8
143.03490	5.2
146.03726	1.6
147.04494	3.6
149.06030	1.6
150.45276	1.3
157.01396	1.4
161.04547	2.2
163.06052	2.6
205.07109	3.5
212.08908	1.3
271.02420	2.5
284.03171	3.0
299.05688	2.3
300.02609	2.0
345.33417	1.3
453.33743	4.9
466.83844	1.3
498.10214	1.3
595.12720	2.1
939.49634	100.0
940.49933	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	937.48
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01073	6.0
71.01386	30.4
73.02956	8.5
83.01373	9.1
85.02955	19.3
87.00867	7.7
91.63424	4.0
95.01378	5.1
96.15743	3.3
99.00893	5.7
101.02458	19.1
106.04560	3.8
113.02444	17.2
116.92852	7.9
161.04543	4.4
162.64104	3.3
165.47424	3.4
192.29791	3.4
201.90631	3.4
246.97554	3.8
368.51831	3.2
441.37216	6.2
467.60083	3.7
539.80908	4.0
729.45782	65.4
730.45898	8.1
747.46576	55.9
748.47089	8.0
765.47784	7.7
789.47961	100.0
790.47980	17.2
807.48932	54.7
808.48767	8.4
849.49817	56.3
850.50122	9.9
858.01587	4.1
937.46265	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	939.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.5
68.57268	0.2
68.99812	2.2
69.03441	0.8
71.01376	27.2
72.99306	2.7
73.02939	7.9
73.95217	0.2
75.00868	9.8
81.03439	0.6
83.01379	4.4
85.02944	15.4
86.00097	1.5
87.00871	8.4
87.04514	2.5
89.02441	7.4
89.03001	0.3
95.01387	4.3
95.99555	0.2
96.91291	0.2
97.02952	1.1
99.00874	11.9
99.04491	0.6
101.02438	10.9
103.03999	2.7
104.11832	0.2
109.02934	0.3
111.00874	0.5
112.01634	0.7
113.02443	9.9
114.02740	0.3
115.00381	0.4
115.04002	4.0
119.03521	1.3
125.02431	0.6
127.03993	0.4
131.03505	5.0
132.61919	0.2
139.00336	0.8
143.03491	6.1
145.05038	1.1
151.04042	0.3
157.01418	0.8
161.04555	1.3
163.06100	2.1
165.34409	0.3
172.86423	0.2
192.85448	0.2
205.07156	4.1
211.95975	0.2
247.08000	0.2
253.62617	0.3
403.56393	0.3
409.30917	0.2
421.14349	0.2
453.33734	2.9
455.35120	0.4
523.37976	2.2
551.75598	0.2
552.19714	0.2
613.37714	0.4
682.13196	0.3
877.50488	0.4
921.48663	1.4
922.48352	0.2
939.49500	100.0
940.49799	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	939.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00379	0.4
67.01901	0.5
68.99832	2.0
69.03444	1.8
71.01379	33.1
71.02782	1.0
72.99302	2.9
73.02944	8.3
75.00871	12.0
81.03455	0.5
83.01376	4.7
85.02948	17.4
85.03468	0.9
86.00085	1.4
87.00874	9.3
87.04501	2.2
89.02448	7.5
90.04243	0.4
92.88058	0.4
95.01381	4.0
97.02966	1.2
99.00878	12.1
99.04517	0.6
101.02444	11.1
103.04024	2.4
111.00864	0.9
112.01676	0.9
112.42274	0.4
113.02446	10.7
115.04009	3.8
119.03506	2.0
120.69387	0.4
125.02462	0.9
128.84015	0.4
131.03506	5.1
136.13535	0.4
143.03516	6.3
145.05093	0.9
157.01433	0.8
161.04564	1.3
163.06091	1.9
189.02168	0.4
202.96858	0.4
205.07146	2.8
284.03278	1.1
299.05518	1.9
321.12250	0.5
435.32922	0.5
453.33624	2.7
455.35428	0.8
523.37921	2.6
528.43274	0.5
595.36127	0.5
699.52142	0.4
815.41248	0.5
921.48700	1.8
939.49579	100.0
940.49915	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	935.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	55.1
71.53951	12.6
73.02934	18.6
73.10735	7.4
83.01358	7.1
85.02953	31.2
87.00867	12.6
89.02438	14.3
101.02406	35.2
103.10455	7.8
113.02440	42.8
140.78371	7.6
176.15273	7.4
186.44908	7.0
208.20628	7.1
284.80255	7.3
660.08972	8.4
727.44055	40.1
728.44342	9.2
745.45300	85.7
763.46045	30.2
787.46417	100.0
788.46936	22.1
805.47327	82.7
806.47986	10.3
811.04559	7.9
847.48206	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.5
68.99813	2.3
69.03456	1.5
71.01378	30.5
72.01713	0.2
72.99306	3.2
73.02944	8.3
75.00867	11.3
81.03456	0.4
81.08987	0.2
83.01379	4.5
84.02180	0.4
85.02945	16.3
86.00092	1.8
86.03312	0.2
87.00871	9.6
87.04509	2.7
87.39792	0.2
89.02441	7.1
95.00760	0.2
95.00909	0.1
95.01381	4.7
97.02937	1.2
99.00875	13.2
99.04513	0.4
101.02438	11.8
103.04002	2.5
111.00903	0.8
112.01676	0.5
113.02445	11.5
114.02775	0.2
115.00355	0.4
115.03200	0.3
115.04007	4.1
119.03503	1.6
125.02438	0.8
127.03975	0.4
129.01942	0.4
131.03494	5.2
137.02383	0.2
139.00356	0.6
143.03488	5.7
145.05061	1.1
157.01401	0.9
161.04546	1.1
163.06122	2.1
205.07133	3.8
239.18362	0.2
240.58502	0.2
242.04825	0.2
247.08255	0.4
280.65915	0.2
391.29733	0.2
419.25851	0.2
435.29019	0.4
445.92017	0.2
446.37604	0.2
451.32114	4.9
452.32428	0.5
453.33643	0.5
521.36389	2.4
522.36646	0.3
565.34778	0.2
593.34430	0.3
611.35577	0.7
623.67242	0.2
875.48059	0.2
919.46771	1.9
920.47626	0.2
937.47931	100.0
938.48248	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.1
71.54231	0.2
73.02945	1.5
81.06715	0.2
83.01394	0.6
85.02948	0.9
87.00872	1.0
89.02409	0.3
93.03451	0.9
95.01382	0.2
96.96008	0.2
97.02898	0.4
101.02423	1.4
107.04977	0.2
108.02155	0.4
108.76690	0.2
113.02426	1.0
113.79783	0.2
115.95104	0.2
116.92660	0.2
119.05017	0.2
121.02959	0.4
125.02415	0.9
133.02942	0.2
134.03769	0.4
135.00929	0.3
137.02417	0.6
139.00365	0.2
145.02977	0.3
147.04480	0.3
148.01671	0.4
149.06033	0.4
150.03209	0.3
151.00351	1.2
153.01981	0.3
161.04517	0.8
163.04097	0.2
165.05482	0.2
165.99097	0.5
166.02692	1.0
166.99855	0.4
171.27892	0.2
173.04552	0.3
181.05083	1.2
191.03464	0.2
191.05594	0.3
193.05020	0.6
195.06525	0.3
199.03934	0.7
214.15482	0.3
222.06819	0.3
226.02757	0.3
227.03606	1.2
229.03444	0.5
243.02986	3.7
244.03545	0.5
254.02182	0.9
255.02957	11.6
256.03320	0.7
271.02448	24.0
272.03055	1.9
284.03226	0.4
299.01959	7.3
299.05194	0.3
300.02713	84.4
301.03088	5.8
314.04245	0.5
315.05075	60.2
316.05377	4.1
333.26987	0.2
351.10889	0.2
355.06741	0.6
405.09808	1.3
417.15503	1.7
449.35135	0.2
462.08041	1.6
466.56192	0.3
477.10324	100.0
478.10675	8.8
478.16629	0.2
479.10938	0.5
647.19702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.7
70.91548	5.1
71.01379	100.0
72.99311	6.6
73.02944	52.0
75.00859	4.2
80.43569	3.0
83.01387	28.1
83.54533	2.9
85.02948	45.7
87.00883	23.2
89.02438	45.3
90.72144	2.8
93.03447	9.3
95.01379	11.5
96.95966	3.8
99.00883	11.1
101.02438	84.7
104.76599	3.0
113.02447	57.3
115.00338	3.4
117.03493	3.6
119.03513	20.3
119.05025	4.8
121.02950	12.3
125.02441	10.1
129.01981	3.4
131.03439	4.8
134.03717	4.1
137.02412	6.2
139.00340	3.0
143.03493	12.9
145.02953	17.3
147.04546	5.9
148.05283	3.9
149.02429	3.8
149.04552	16.2
149.05963	4.4
152.01175	2.8
155.03442	3.9
155.10817	3.6
159.03046	3.7
159.04440	3.6
161.02495	5.7
161.04546	44.5
163.03984	6.2
165.05534	2.6
169.19727	2.9
173.04527	9.8
175.03987	4.2
179.05598	4.6
191.01917	5.0
191.03542	3.9
191.05632	7.0
195.06537	4.8
203.05670	4.6
205.03572	2.9
207.13963	3.2
208.03549	3.0
211.03870	3.3
221.06631	12.2
227.03513	12.1
227.16492	11.8
229.04919	3.0
239.03348	5.5
240.04126	3.2
248.28133	3.1
255.02960	29.3
256.03613	5.3
267.02948	3.4
269.04303	3.4
271.02283	4.7
284.03281	49.4
285.03751	9.9
293.04611	3.8
299.02368	3.4
299.05527	13.2
300.02640	6.5
327.42297	3.2
351.10809	10.7
356.45248	3.2
369.19116	8.4
371.20734	25.2
373.22299	4.1
387.20084	5.5
389.21893	25.0
403.00604	3.3
413.21658	36.7
414.22070	4.1
415.23444	5.2
429.21469	16.6
431.22858	100.0
432.23047	14.3
513.14130	4.5
871.22559	18.0
933.29810	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	933.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.8
71.01379	35.5
72.99299	3.5
73.02942	38.1
75.00853	1.2
81.03465	1.5
83.01386	12.4
85.02953	8.7
87.00863	2.2
87.04503	0.8
89.02433	8.4
93.03449	2.5
95.01381	2.1
97.02928	1.1
98.20663	1.4
99.00872	1.2
99.04516	0.8
101.02438	36.7
102.02815	0.8
107.87280	0.6
109.06576	0.8
111.04550	0.9
113.01717	1.2
113.02449	16.3
113.03248	0.9
119.01769	0.5
119.03487	5.3
119.04999	1.6
121.02977	0.6
122.03759	0.7
123.08148	1.3
125.02452	5.2
125.06063	0.7
129.01938	1.8
131.03491	3.2
134.03749	1.2
135.04463	0.8
137.02454	0.9
139.07640	3.4
143.03514	5.4
145.02977	0.7
147.02988	1.1
149.04543	6.3
149.05867	0.9
155.03487	2.2
159.04482	0.8
161.02469	0.8
161.04541	12.7
163.04019	1.9
167.10748	3.6
168.07896	0.7
173.04549	4.6
179.05455	0.6
187.11305	0.9
191.05566	3.7
192.05898	0.9
193.04878	1.0
203.05553	1.3
205.01852	0.6
205.03429	3.5
205.12309	1.1
221.06610	4.6
223.04581	7.7
279.12350	5.0
301.03177	0.7
337.09399	0.9
359.17078	2.1
369.08484	1.4
387.20282	7.3
405.21085	5.0
411.54727	0.8
441.17960	0.8
447.22318	100.0
448.22656	7.0
491.21426	2.7
563.17291	0.9
741.17194	0.8
831.46558	0.7
933.24957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
78.93459	35.2
209.11800	100.0
210.12038	47.4
225.23770	43.7
229.38284	45.6
254.96471	37.8
255.23244	90.8
256.23584	40.8
315.73260	35.1
335.40887	37.6
360.25800	39.8
397.13336	61.3
527.91602	37.5
927.41919	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.5
69.03454	1.0
69.36703	1.8
69.37123	0.6
70.54250	0.2
82.08958	0.3
87.00871	0.3
93.03452	0.5
107.01398	1.1
108.02171	0.9
109.02960	1.0
119.04960	0.3
121.02960	0.9
124.01587	0.3
133.02946	0.3
135.00845	0.5
143.04976	0.4
145.02954	0.4
146.03699	0.3
148.01692	0.5
149.09697	0.4
151.00352	4.0
156.05826	0.5
157.06618	0.4
159.04489	0.9
160.05251	0.5
161.04805	0.3
161.06093	0.7
163.00337	0.5
164.01132	0.3
170.03740	1.0
171.04472	0.6
171.08138	1.0
172.05292	3.7
173.04544	0.5
173.06035	1.6
174.03166	0.6
174.06828	0.4
175.03961	0.4
175.07620	0.8
178.99883	2.1
179.08598	0.5
183.04422	0.5
184.05275	0.6
185.06064	8.4
185.09636	0.3
186.06859	4.2
187.03976	0.4
187.07631	7.5
187.11183	0.3
188.04872	0.4
188.08357	1.0
189.05540	2.1
189.09169	2.7
191.05450	0.3
194.64769	0.3
195.04430	0.3
196.05289	6.8
197.05879	0.5
197.09692	0.8
199.04004	2.5
199.07629	8.2
200.04672	0.5
200.08374	4.1
201.05460	0.3
201.09184	2.4
202.06332	0.4
203.03355	0.3
203.07066	0.8
204.04097	0.3
204.07899	4.6
207.08119	0.6
209.06053	7.8
210.06708	1.1
211.03894	0.6
212.04799	0.9
213.05556	5.5
213.09149	1.0
214.06331	13.0
214.09892	0.8
215.06877	1.1
215.10748	2.2
217.05019	0.3
217.08636	0.3
223.07625	14.6
224.08350	5.7
225.09190	13.7
226.02715	0.8
226.09538	0.8
227.03445	1.1
227.07100	0.3
228.04062	0.4
228.07890	2.4
229.04926	0.5
232.07355	0.4
239.07079	0.5
241.08675	2.4
242.09442	0.8
243.02985	6.7
243.10233	38.6
244.03482	0.7
244.07492	0.3
244.10597	2.2
254.02144	1.5
255.02966	15.8
256.03360	0.8
269.08017	0.4
271.02451	32.3
272.02890	2.5
273.04013	0.4
287.09213	3.8
299.01944	1.3
300.02722	80.3
301.03323	10.9
302.03964	0.4
331.08188	14.2
332.08542	0.9
595.12976	100.0
596.13348	10.3
596.23010	0.5
642.62238	0.3
839.97583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.9
71.01342	0.2
73.02946	0.4
81.03439	0.3
85.02952	0.7
87.00874	0.3
93.03450	0.4
95.05000	0.4
97.06595	0.9
101.02436	2.8
109.02946	0.9
113.02418	0.3
119.05000	0.5
121.02953	0.4
123.08144	0.2
124.01637	0.2
129.03468	0.5
133.02934	0.5
135.04507	0.6
137.02438	2.0
139.04013	1.0
145.02911	0.5
145.06584	0.3
146.03740	1.4
147.04520	10.2
148.05338	2.3
149.06091	0.8
151.07620	0.3
157.10219	0.3
158.03778	0.4
159.04503	6.0
160.05284	1.6
161.06064	2.2
163.03925	0.2
163.07635	1.3
171.04456	0.3
172.05283	11.3
173.06058	15.3
173.09557	0.5
174.03194	1.0
174.06795	1.5
175.03966	1.6
175.07550	1.2
175.11330	0.2
176.04776	3.8
181.97975	0.2
183.04532	0.6
185.06076	0.9
186.06839	3.3
187.04045	2.4
187.07632	10.5
188.04829	0.4
188.08394	1.5
189.05566	6.0
189.09177	3.6
190.05937	0.3
191.03491	0.5
192.04291	1.9
194.07446	0.3
196.05283	0.7
197.06067	5.7
198.06816	2.8
199.07591	1.0
199.11336	0.4
200.04730	1.7
200.08380	0.4
201.05569	7.1
201.09198	21.4
202.05986	0.5
202.09567	1.1
203.07117	1.3
203.10699	0.5
204.04221	0.8
204.07906	11.0
205.08412	0.7
209.09683	0.7
211.07611	1.5
212.08374	1.5
213.05664	0.4
214.06236	0.5
215.07109	10.9
215.10535	0.6
216.07878	9.3
217.05042	0.5
217.08630	0.3
217.12326	1.9
218.05858	0.2
225.09218	3.0
226.09904	0.5
227.10760	25.6
228.11139	1.3
229.08682	2.5
230.09224	0.3
232.03746	0.3
236.03302	0.6
243.10236	1.0
244.07452	0.2
244.10542	0.4
245.07953	0.9
245.11810	19.5
246.12204	0.9
260.06934	1.1
261.11365	0.2
271.09763	3.3
289.10800	18.5
290.11136	0.9
299.05606	0.4
333.09772	100.0
334.10092	5.7
519.81384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99833	3.0
69.03464	1.6
71.01376	31.9
71.08630	1.8
71.08976	0.8
72.99289	4.6
73.02950	10.6
75.00864	12.4
75.01239	0.8
79.05563	0.9
81.51912	0.7
83.01368	4.4
83.04992	0.8
85.02943	17.7
86.00112	1.3
87.00871	13.7
87.04540	2.4
89.02442	8.0
91.05561	2.5
93.03456	1.5
95.01381	4.9
95.05072	2.2
96.96030	1.6
97.02984	1.5
99.00874	10.9
99.04564	1.7
101.02438	13.5
103.04056	2.3
103.05541	2.0
105.03485	2.7
108.02205	1.1
109.02924	1.1
111.00843	0.8
112.01669	0.9
113.02451	12.0
115.04047	3.2
115.04784	0.7
117.44897	0.6
119.03532	2.7
119.05000	3.8
121.02961	4.0
125.02412	1.0
129.03455	0.8
131.03499	6.8
137.02490	2.8
139.00363	0.8
143.03499	5.8
145.02986	1.0
146.03787	2.3
147.04520	20.8
147.05641	1.1
148.05345	2.5
149.06073	1.9
157.01498	1.0
159.04533	0.9
161.04585	1.7
163.04068	1.3
163.06151	1.7
165.04187	0.9
173.02411	0.9
174.01770	0.7
175.02519	0.8
191.03473	1.6
199.04065	1.2
205.07146	3.8
209.11787	5.0
211.13387	5.6
217.01534	2.7
218.02313	3.1
227.13077	0.9
284.03351	1.1
299.05704	1.5
347.29211	0.8
357.17358	1.0
439.36215	3.3
509.27979	0.7
509.40445	2.2
638.99963	0.8
686.78503	0.8
695.98346	0.9
717.09235	0.8
907.52045	1.4
925.52661	100.0
926.53094	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	925.516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.6
68.99813	2.8
69.03444	1.3
69.57959	0.7
71.01377	36.8
71.05016	0.2
72.01728	0.2
72.99305	3.8
73.02941	10.6
75.00868	13.0
81.03458	0.7
83.01384	5.1
83.01888	0.2
83.05049	0.2
84.02152	0.2
85.02946	21.0
86.00089	2.1
86.03271	0.2
87.00870	11.4
87.04506	3.4
89.02439	9.8
93.03462	0.2
95.01385	5.4
96.96008	0.1
97.02944	1.0
97.06596	0.2
99.00875	13.7
99.04514	0.5
100.01226	0.2
101.02438	14.4
102.02810	0.2
103.04007	3.6
109.02951	0.2
111.00886	0.9
112.01673	0.8
113.02444	13.4
113.56705	0.1
114.02785	0.2
115.00359	0.6
115.04003	4.8
119.03493	2.0
121.03031	0.1
124.05272	0.1
125.02451	0.8
125.91322	0.1
126.32159	0.1
127.03997	0.5
128.01155	0.2
129.01939	0.4
131.03493	6.8
139.00354	0.7
143.03493	7.8
145.05075	1.4
157.01393	1.1
161.04521	1.2
163.06104	2.5
178.08627	0.1
205.05243	0.3
205.07149	4.7
239.43713	0.1
246.33662	0.1
247.08076	0.2
313.13971	0.1
318.92923	0.1
332.51944	0.1
389.28448	0.2
389.78445	0.1
405.31546	0.2
423.32709	0.3
439.35776	4.1
439.41858	0.2
440.36237	0.5
441.31351	0.1
441.37256	0.4
459.38269	0.2
465.49451	0.1
509.39954	2.7
510.40305	0.4
537.39648	0.2
553.38580	0.2
567.78351	0.1
581.38721	0.3
599.39551	0.8
600.38812	0.2
617.41132	0.2
717.45544	0.1
863.53351	0.2
907.50916	1.4
908.51538	0.2
925.51550	100.0
926.51923	16.5
940.47089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	2.7
69.03470	0.9
71.01377	35.8
71.53845	0.8
71.54211	0.8
72.82304	0.9
72.99313	4.6
73.02940	9.7
75.00867	13.4
77.06285	0.6
79.56339	0.7
82.24121	0.7
83.01377	5.5
85.02949	20.1
86.00115	1.7
87.00869	14.9
87.04509	2.3
89.02441	10.2
91.05523	3.2
93.03454	1.5
95.01389	4.7
95.05019	2.8
96.96004	1.5
97.02943	1.7
99.00873	13.5
99.04510	1.6
101.02441	14.6
103.04015	2.5
103.05546	1.6
105.03456	2.7
108.02121	1.1
110.00078	0.8
111.00883	1.7
113.02443	12.4
115.04016	2.5
119.03528	1.9
119.05016	3.5
121.02957	6.4
122.03718	1.8
125.02458	0.9
129.03442	1.3
130.99913	0.9
131.03484	6.5
133.02950	4.5
135.04488	1.5
137.02440	38.5
138.02769	0.9
139.04001	14.0
143.03476	6.6
145.02980	4.1
145.05078	1.9
146.03720	2.9
147.04512	70.1
148.05307	32.9
149.05975	2.3
154.02715	0.8
159.04483	0.8
161.04547	1.6
163.04027	5.0
163.06123	2.8
164.04768	2.7
165.01926	0.7
165.99037	1.0
174.03276	1.1
186.14084	0.7
187.07626	0.8
191.03522	2.0
192.04263	24.7
193.04895	1.5
203.03380	0.8
205.07156	4.5
207.02950	4.4
209.11795	5.6
211.13316	4.7
217.01402	1.9
218.02110	3.7
224.03285	3.7
227.12900	0.8
236.03255	12.5
237.03938	3.0
254.02367	0.8
283.02399	1.1
284.03247	1.4
297.14841	1.0
299.05658	1.0
311.02100	1.1
312.02771	4.3
313.18030	1.7
323.16434	1.3
327.05054	1.2
341.17487	2.5
398.39642	0.7
439.35764	3.2
509.39948	3.1
599.39709	0.9
787.40491	0.9
849.38501	3.6
875.37573	1.3
893.37347	1.6
894.39819	0.9
907.52423	0.9
910.11310	0.9
925.11902	2.4
925.53271	100.0
926.53839	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	924.48
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	72.6
71.53033	33.5
71.83524	22.1
87.00826	27.0
101.51868	23.1
116.92842	37.6
127.78172	27.6
171.10245	26.3
189.07857	26.5
192.53781	31.8
207.10303	40.4
221.02600	20.5
255.23335	35.9
256.23685	49.2
277.21716	100.0
278.21939	28.5
283.26279	30.2
283.39459	23.3
397.13757	32.6
402.90875	24.0
863.48914	27.9
864.48822	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45535	1.0
71.01380	5.5
71.54499	1.2
73.02962	1.7
83.05020	3.2
85.02952	2.2
87.00884	5.1
89.02455	2.3
93.11267	1.0
95.01393	1.4
99.00883	1.2
101.02422	3.8
109.02930	2.2
113.02427	1.4
117.03429	1.2
119.04985	2.1
121.02930	1.6
133.02901	2.1
135.04535	1.7
137.02460	5.5
139.04007	2.7
145.02910	1.2
146.03690	3.8
147.04506	24.8
148.05307	8.2
149.06020	1.3
155.04991	1.0
157.42284	1.4
159.04486	10.8
160.05193	2.4
161.02440	1.6
161.04771	1.1
161.06009	5.6
163.03998	2.3
163.11229	2.6
165.12804	1.2
172.05275	9.1
173.04611	2.0
173.06046	21.2
174.03197	3.6
174.06854	5.8
175.05554	1.0
176.04770	1.3
183.04396	1.4
185.06049	3.2
186.06836	5.9
187.03973	6.6
187.07616	6.8
188.04669	2.3
188.08398	1.6
189.05545	7.3
192.04277	2.4
197.06026	4.5
198.06827	3.6
199.04033	1.4
199.07628	1.9
200.04749	3.5
200.08328	3.7
201.05553	11.8
201.09055	1.1
209.11827	21.5
211.07547	2.3
211.13306	3.0
212.08221	1.5
213.05525	2.4
214.06284	2.2
215.07097	5.6
216.07915	14.2
218.05777	1.6
227.12856	1.6
241.05107	1.1
241.12279	1.4
255.13762	2.2
260.06778	1.8
267.13947	1.2
269.15222	1.9
283.13321	4.0
284.03235	2.8
285.14929	4.7
295.06027	1.7
297.14920	35.6
298.15240	2.2
299.05432	1.9
300.13507	2.2
301.14502	1.5
310.08453	1.4
311.12988	5.9
312.13718	1.6
313.14661	1.3
313.18051	3.3
315.16074	8.6
323.16492	24.6
325.10880	1.6
339.15878	2.9
341.17538	32.1
352.09509	1.3
359.18558	4.5
367.15295	2.5
385.16458	3.8
595.27673	1.6
639.26678	2.5
740.29944	1.7
805.40509	4.0
831.37378	1.5
849.39545	13.9
850.38806	2.3
875.36908	9.1
893.37909	9.3
907.37549	3.4
925.40497	100.0
926.40784	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	923.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	15.2
72.99305	1.6
73.02920	2.3
75.24395	0.8
76.19518	0.9
80.02645	1.4
81.03429	1.4
83.01376	1.8
83.05023	4.4
84.02166	1.3
85.02948	2.9
87.00870	3.8
89.02440	12.0
95.01387	1.2
97.02936	3.5
101.02438	11.8
106.21083	0.9
109.06634	1.0
113.01761	1.3
113.02443	6.2
119.03493	2.7
119.12268	1.0
125.02439	6.5
126.81409	0.9
131.03500	0.8
139.04031	1.1
143.03485	2.3
161.04558	2.5
163.11259	3.3
165.12837	2.3
179.05536	4.2
197.11798	0.8
204.55200	0.8
209.11807	100.0
210.12132	4.2
217.07172	1.1
221.06604	0.9
227.12881	15.6
228.13106	1.2
235.08180	4.4
255.23274	58.9
256.23544	2.8
269.24753	1.4
287.07626	1.9
305.08810	1.8
323.09711	1.3
379.12405	14.2
380.12854	1.3
397.13464	46.4
398.13641	2.7
415.14398	8.3
436.61975	0.9
582.03821	0.9
589.24951	3.0
607.25641	2.6
633.05542	1.0
635.36707	2.6
641.37933	0.9
653.37708	5.5
686.52502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21001	11.9
69.59203	78.2
71.01395	22.1
71.32890	10.8
78.43642	10.7
91.17796	12.9
101.02448	25.1
207.10321	17.9
209.11815	100.0
210.12175	25.6
255.23372	67.0
256.23682	44.3
336.79962	11.6
379.12448	21.4
397.13385	48.0
398.13712	22.4
486.06738	13.5
864.49817	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5003
Annotation	CHEBI:62863
Peak:m/z	Relative Intensity
67.01899	2.5
68.99823	1.6
70.46976	2.4
70.47327	3.6
71.01377	26.9
72.99302	3.2
73.02931	7.9
75.00875	11.1
76.72258	1.3
83.01382	4.1
85.02946	18.7
86.00092	3.2
87.00878	8.9
87.04517	2.0
87.52492	1.3
89.02440	6.4
95.01386	2.7
99.00881	11.9
101.02441	8.9
103.04005	3.5
113.02440	11.1
115.03977	2.9
116.92853	2.7
119.03465	2.1
131.03474	3.5
131.68079	1.3
143.03479	4.2
163.06206	1.3
205.07100	2.8
222.47481	1.4
360.82776	1.4
745.54315	1.8
905.48523	2.0
923.50049	100.0
924.50201	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	923.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.5
67.89285	0.2
68.99813	2.2
69.03450	1.1
71.01381	30.8
71.30969	0.3
72.01689	0.3
72.99306	3.5
73.02943	8.5
75.00871	10.0
76.48991	0.2
81.03456	0.3
83.01382	4.3
85.02948	16.4
86.00088	1.8
87.00876	8.4
87.04514	2.9
89.02441	7.4
95.01384	4.7
97.02934	1.0
99.00880	11.9
99.04505	0.6
101.02441	11.9
103.04019	2.8
109.92892	0.2
110.69260	0.2
111.00865	0.6
112.01621	0.6
113.02451	11.1
114.02775	0.3
115.00364	0.4
115.04018	3.7
119.03522	1.4
125.02397	0.7
127.04002	0.4
131.03506	5.5
137.02409	0.3
137.09660	0.3
139.00311	0.5
143.03496	5.8
145.05029	1.1
157.01414	1.1
161.04514	1.3
163.06087	1.9
205.07167	4.2
247.08131	0.3
405.28076	0.3
421.31052	1.0
437.34222	4.8
439.35684	0.5
507.38425	2.4
508.38739	0.4
579.36847	0.3
597.38013	0.7
716.64130	0.3
905.48865	1.9
923.50061	100.0
924.50330	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	923.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91729	0.4
67.01910	0.3
68.99812	2.3
69.03451	1.0
69.77094	1.7
71.01380	27.3
72.99302	3.1
73.02940	6.5
75.00871	10.8
83.01381	4.1
85.02947	15.5
85.03465	0.6
86.00083	1.4
87.00875	7.7
87.04510	2.1
89.01929	0.5
89.02442	6.3
95.01382	4.3
97.02949	1.0
97.62225	0.3
98.19942	0.4
99.00272	0.6
99.00877	10.0
99.04493	0.4
101.02437	11.6
101.03102	0.6
102.02742	0.3
103.04011	2.4
109.33955	0.4
111.00892	0.5
112.01625	0.4
113.02441	9.7
115.00365	0.5
115.04010	3.2
116.92833	0.9
119.03509	1.6
125.02447	0.8
127.04049	0.5
129.01955	0.4
131.03494	4.8
137.09692	1.3
139.00389	0.6
142.03592	0.4
143.03508	5.3
145.05032	0.9
157.01392	0.7
161.04558	1.5
163.06171	1.4
205.07159	3.3
230.28067	0.3
247.08167	0.4
437.34250	5.6
438.34943	0.5
507.38544	2.1
551.37872	0.5
597.38007	0.6
879.48517	0.4
905.49451	1.3
923.50049	100.0
924.50415	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	923.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.5
68.99798	2.3
69.03452	0.9
71.01376	26.7
71.02018	1.0
72.99300	3.3
73.02943	7.6
75.00867	10.2
78.95902	0.4
81.03461	0.4
83.01379	4.3
85.02947	15.4
86.00089	1.4
87.00873	8.9
87.04506	2.0
89.02437	7.1
90.96955	0.3
95.01377	4.2
96.88116	0.3
97.02938	1.5
99.00880	10.8
101.01796	0.7
101.02435	11.7
103.04014	2.3
109.51807	0.3
112.01643	0.6
113.02444	10.6
115.00375	0.4
115.04006	2.9
119.00925	0.3
119.03472	1.7
125.02437	0.8
127.03952	0.4
129.01926	0.4
131.02556	0.4
131.03510	5.4
135.65253	0.3
139.00397	0.5
139.04002	0.5
143.03488	6.2
145.05031	1.0
147.04501	1.0
157.01381	1.1
161.04507	0.8
163.06104	1.6
205.07198	4.0
211.13416	0.7
215.94774	0.4
247.08234	0.4
254.04240	0.4
258.02472	0.4
367.26263	0.4
437.34259	3.2
507.38364	2.3
508.38214	0.6
569.34930	0.5
597.37512	0.7
679.35657	0.5
905.48596	1.2
923.50110	100.0
924.50342	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	923.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57006	6.2
71.01382	6.7
72.99274	0.9
73.02924	1.9
75.00863	1.1
81.03441	1.3
83.01370	1.5
83.05032	2.5
85.02940	3.6
87.00876	9.0
89.02423	2.8
93.03448	2.3
96.95971	1.3
97.02929	1.0
99.00874	1.4
101.02439	4.7
107.57703	0.8
109.02937	1.8
113.02482	2.1
117.03459	1.0
123.04535	1.0
124.38892	0.8
133.02893	1.0
145.02948	2.2
146.03709	2.5
147.04425	1.6
149.06073	1.6
159.04478	3.9
160.05191	1.2
161.02373	2.0
163.07512	0.9
163.11292	2.5
165.12840	2.5
171.04515	1.3
172.05281	3.8
173.04616	1.7
173.06049	3.6
174.06866	2.2
175.03944	1.2
185.06058	10.8
186.06856	10.9
187.03986	4.0
187.07626	2.0
188.04692	1.6
193.05038	1.8
196.05287	32.6
197.05943	2.7
198.06789	1.6
199.03978	4.1
199.07600	6.8
200.04756	1.2
200.08447	4.3
209.06020	2.6
209.09912	1.7
209.11823	27.3
210.06877	3.2
211.07568	1.1
211.13327	3.0
212.04840	1.3
213.05554	9.7
213.09184	2.0
214.02748	1.5
214.06334	15.5
215.07127	1.2
215.10716	1.3
216.07886	2.1
218.05818	2.2
219.02977	1.3
223.07591	1.8
225.09096	1.3
227.03554	1.8
227.07071	1.8
227.10725	1.0
227.12856	1.1
228.07925	1.9
229.04951	1.0
241.12091	1.3
251.14326	1.9
253.09134	1.8
253.12251	1.4
255.02951	2.2
255.13957	1.4
269.15417	3.2
271.02435	2.8
277.15866	0.9
283.13449	2.0
284.03366	5.2
285.03595	1.0
285.14954	1.0
293.15582	1.2
295.13370	8.8
295.16754	2.1
296.13919	1.6
297.14972	10.9
298.15405	1.2
299.01996	2.0
299.05539	6.3
300.02615	1.6
311.13278	1.6
311.16553	7.9
313.03543	1.2
313.14322	3.5
313.17987	3.5
314.04291	12.8
315.04636	1.8
315.15836	2.9
321.14935	56.1
322.15277	4.5
323.16263	1.1
329.06644	14.1
330.06955	2.0
339.15973	100.0
340.16278	7.8
357.17020	16.7
371.18463	1.2
387.92480	1.0
446.15515	1.5
523.26227	1.2
575.24976	15.7
576.25275	2.9
593.25983	23.9
594.26385	3.6
615.84216	0.9
637.24078	1.0
738.69403	1.0
759.35724	2.9
767.36420	2.1
785.37439	16.8
786.37769	2.3
803.38507	54.5
804.38818	7.8
816.08240	0.9
835.40454	1.0
847.37604	24.0
848.37616	4.0
879.40027	6.6
880.39471	1.1
923.37659	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	921.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11787	1.2
65.47519	1.2
71.01382	16.0
73.02945	2.6
81.03436	1.4
83.05026	3.4
85.02939	2.3
87.00859	4.0
89.02434	11.6
95.04987	1.4
95.19913	1.2
97.02927	1.9
101.02431	10.7
110.99380	1.1
113.02423	5.3
116.92820	1.4
119.03489	4.6
125.02432	6.0
143.03462	3.0
152.11116	1.2
152.99561	1.5
161.04523	4.4
163.11230	2.4
171.10225	2.4
172.10538	1.5
179.05588	6.7
207.10242	1.3
209.11809	100.0
210.12065	3.9
221.06746	2.0
227.12869	22.9
230.24545	1.5
235.08122	4.7
277.21698	50.2
278.22131	3.7
287.07770	2.6
305.08542	2.5
306.09064	1.2
320.59793	1.4
323.09750	1.6
371.63882	1.4
379.12427	14.4
380.23941	1.3
397.13440	61.6
398.13617	5.2
415.14465	12.3
574.94250	1.4
589.25201	9.4
590.25299	1.5
607.25940	9.1
657.34723	4.1
675.35883	3.7
797.59186	1.9
867.48273	1.8
885.48492	1.7
921.46185	34.0
922.46228	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	921.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	2.8
69.93300	8.9
71.01385	20.0
73.02943	3.5
81.03462	1.8
83.05047	4.1
85.02949	6.8
87.00880	7.1
89.02450	14.8
95.01398	3.7
97.02949	10.5
97.06562	2.3
99.00895	11.2
101.02444	14.2
109.06599	26.6
110.03757	2.3
113.02464	8.9
116.92857	4.6
119.03501	4.3
121.06537	3.3
125.02460	3.8
125.09693	3.4
135.08145	2.7
136.05347	2.2
142.02718	2.4
143.03526	2.5
161.04533	2.5
163.11275	16.9
166.52016	1.9
177.96303	1.8
179.05589	4.5
181.12326	11.4
182.51318	1.9
189.09201	2.0
207.10257	95.5
208.10587	4.3
209.11774	7.3
225.11311	53.1
225.13519	2.7
226.11475	1.9
235.08295	3.6
243.12450	9.7
255.23300	67.8
256.23642	2.8
281.24765	2.4
287.07715	2.0
379.12299	8.2
397.13492	32.7
398.14575	2.2
415.14523	7.2
587.23834	4.1
605.24640	14.2
606.25006	2.7
613.12201	2.2
623.25391	8.7
635.36670	3.4
768.84991	2.0
843.47455	3.0
861.48456	100.0
862.49054	12.8
930.91211	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	921.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78199	1.1
71.01373	13.2
71.54847	1.4
72.99300	1.9
73.02925	1.6
73.11287	1.3
75.00851	1.3
78.80849	1.0
82.91314	1.1
85.02945	5.9
87.00874	30.2
88.98795	2.4
89.02441	9.6
93.03463	5.2
94.81328	1.0
95.01380	1.3
95.05003	1.4
96.95985	2.0
101.02438	5.6
103.05477	1.2
108.02164	1.6
111.04490	1.3
112.98862	2.2
113.02433	5.9
113.44113	1.1
117.03466	2.5
119.03500	4.5
119.04996	2.8
121.02955	10.3
123.04524	3.5
130.99863	8.1
133.02980	3.0
135.04478	1.2
137.02429	5.9
138.02774	1.2
139.10330	1.2
145.02948	11.2
147.04530	5.4
149.02451	4.5
149.04416	1.6
149.06010	2.0
150.03210	1.5
152.04617	1.1
159.04478	1.7
160.01680	2.0
161.02374	2.6
161.04590	1.5
161.99622	1.6
163.04022	3.9
164.04849	6.2
165.04175	1.2
165.05540	4.5
173.02338	1.6
173.04553	3.0
174.03218	1.8
175.00362	3.9
175.03993	3.2
176.01158	2.2
177.01907	1.6
179.05585	4.5
179.07014	2.7
190.02722	16.0
190.99834	2.4
191.03450	5.9
191.05470	1.8
193.05054	2.4
200.04610	1.6
205.01331	1.3
205.05052	17.2
206.05714	2.5
211.03853	1.4
217.01369	11.7
218.02113	1.6
223.06056	1.9
225.05429	1.8
227.03464	3.3
228.04089	2.9
240.04361	6.3
241.04770	1.2
249.05742	1.6
251.07051	3.9
253.05063	9.2
254.04358	3.4
255.02917	3.5
256.03632	2.3
265.07169	2.0
267.06693	3.5
268.07376	2.1
269.04440	1.8
277.05136	2.2
279.06686	2.7
283.02505	3.5
283.09732	11.0
284.03235	60.2
285.03790	5.9
292.07275	1.4
297.03897	1.7
299.05594	31.7
299.08664	1.2
300.05988	2.8
311.05667	1.5
312.06323	4.1
321.04007	2.4
323.05585	5.2
323.09109	2.3
327.08722	4.7
336.06293	2.1
337.07166	2.5
338.07904	3.8
339.05023	6.4
350.17587	1.3
351.08652	4.6
353.10419	2.0
354.07489	8.1
365.03217	1.7
369.09702	36.0
370.09872	3.1
371.11136	2.0
382.06824	3.1
393.02716	1.8
395.07687	3.7
397.09204	18.5
399.07074	5.7
408.04764	3.9
415.10458	1.3
423.07193	100.0
424.07623	7.6
441.08270	28.5
442.08453	2.8
459.09085	6.5
571.14514	1.4
579.13531	2.9
621.14465	21.5
921.19629	11.1
921.35461	1.1
922.21655	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	921.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23659	5.4
71.01376	9.6
72.99332	0.9
73.02938	0.9
75.00864	0.9
80.20944	0.5
80.63332	0.6
80.75658	0.5
81.03457	0.6
83.01380	1.3
85.02950	3.1
87.00872	25.7
89.02440	8.1
93.03473	2.8
95.01382	1.1
96.96008	0.6
101.02470	4.3
103.05492	0.6
108.02175	1.3
111.04539	0.8
112.98822	2.8
113.02459	3.8
117.03452	1.6
119.03485	3.6
119.04990	0.7
121.02956	10.6
122.03736	1.0
123.04520	2.4
129.09148	0.5
130.99873	6.7
131.05002	1.1
133.02966	2.0
134.03906	0.6
135.04478	1.0
135.97206	0.6
137.02412	1.7
143.03505	1.0
145.02946	13.1
146.03661	0.9
147.00792	0.9
147.04507	4.9
149.02467	3.3
151.03989	1.4
160.01639	0.6
161.02391	1.7
161.04565	0.9
161.99619	3.1
162.00749	0.6
163.00374	1.3
163.04012	4.7
164.04807	5.9
165.04221	0.6
165.05521	3.4
173.02391	1.4
173.04524	1.1
174.03186	1.2
175.00348	4.4
175.03975	2.6
176.01112	1.9
177.01927	0.7
177.05623	0.6
178.02563	0.6
179.05579	4.5
179.07129	2.2
190.02707	14.2
190.99857	2.4
191.03516	4.5
191.05304	0.9
192.04256	0.7
197.06081	1.6
200.04810	1.6
205.01454	1.6
205.05037	18.6
206.05569	1.0
211.03787	0.6
217.01395	11.4
218.02127	2.1
219.02913	0.8
221.08096	1.1
223.05917	3.1
223.07936	1.3
225.05553	1.8
227.03465	2.3
228.04254	2.1
239.03453	0.6
240.04254	5.6
241.04936	0.8
249.05539	1.3
251.07080	2.3
253.05141	8.1
254.04190	3.4
255.02855	2.5
256.03732	0.7
265.07120	2.9
267.06607	1.6
268.07407	1.4
269.04504	1.4
269.07300	0.7
271.09753	0.8
277.04926	2.8
279.06635	2.5
283.02457	2.5
283.05405	0.5
283.06470	1.0
283.09717	11.1
284.03256	52.7
285.03711	4.5
293.04489	1.2
295.05722	1.1
295.08685	0.9
297.04044	1.8
299.05600	27.2
299.08932	0.9
300.05917	1.2
309.11176	0.8
311.05530	1.6
312.06326	2.4
313.06726	0.8
321.04022	2.2
322.04745	0.8
323.05548	3.0
323.09302	2.0
325.09421	2.1
327.08728	2.1
336.06290	1.5
337.03363	0.7
337.07141	2.1
338.07852	3.6
339.05038	8.2
339.08932	0.8
340.05487	0.7
341.10440	0.7
343.11847	1.0
351.08273	4.5
353.10507	1.2
354.07382	10.5
355.08112	1.1
365.02951	1.3
369.09720	42.6
370.10266	2.7
371.11444	1.1
380.05139	1.5
382.06937	2.0
385.11490	1.3
393.02396	2.0
395.07745	4.1
397.09265	19.8
398.09674	1.6
399.07175	5.3
408.04871	4.5
415.10263	1.2
423.07193	100.0
424.07571	8.5
433.11392	0.9
441.08228	29.0
442.08774	1.8
459.09097	5.5
530.45245	0.6
561.12677	1.3
579.13501	2.8
621.14606	19.8
622.14905	2.1
739.18518	0.6
921.20905	9.9
921.37506	0.9
922.21576	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33749	3.0
69.34177	4.2
71.01378	27.2
72.01694	2.4
72.99304	1.7
73.02943	34.3
74.03263	3.3
83.01382	12.4
85.02949	5.3
87.00874	10.4
89.02441	5.8
95.01354	1.3
97.02922	1.1
101.02438	32.2
102.02799	4.2
113.02437	14.3
114.02762	1.7
117.03416	1.5
119.03496	5.8
119.54041	0.9
121.02937	2.0
123.00827	1.2
123.04485	1.3
125.02381	2.8
131.03430	2.7
133.02898	1.4
137.02386	2.2
138.03194	1.5
139.03966	1.1
143.03458	3.6
145.02892	4.1
146.03677	1.5
147.04488	3.7
148.89848	0.9
149.02669	1.0
149.04546	9.1
150.04840	1.5
152.04729	0.9
153.05504	1.2
159.04486	10.8
160.05217	2.8
161.02536	4.3
161.04498	13.1
161.06027	5.4
162.03239	1.0
162.04808	2.2
163.03952	3.5
173.02345	3.0
173.04575	1.3
173.05986	5.0
174.03159	2.1
175.04002	5.3
176.04761	1.3
187.03934	4.0
188.04735	1.8
189.01874	1.3
189.05487	2.8
190.99844	2.0
199.03850	2.0
199.07559	1.5
200.04810	1.1
203.03465	2.5
203.05453	1.9
204.04073	1.1
205.05066	1.6
211.03978	2.0
212.04558	0.9
215.03537	1.6
217.01318	2.1
217.04976	1.1
221.06609	4.4
222.06927	1.3
225.05525	5.9
227.03482	7.4
228.04236	4.8
229.01334	1.9
229.04982	1.4
232.03593	1.1
239.03322	2.2
240.04216	7.0
241.04900	3.0
243.06548	1.0
249.05342	1.5
251.03372	2.5
251.07089	1.5
253.05060	8.6
254.05682	2.2
255.02977	9.8
256.03558	3.6
267.06406	1.2
268.03738	1.2
269.04565	10.1
270.05191	3.2
271.06140	10.0
272.06247	1.1
277.05090	5.4
278.05246	1.1
279.02972	2.4
279.06656	1.9
280.03503	2.2
281.04535	8.2
283.02350	3.6
283.05911	1.4
284.03247	100.0
284.06525	5.6
285.03662	8.3
285.07538	4.0
286.03928	1.0
286.08337	8.0
287.09094	1.1
293.04324	3.7
293.07477	1.0
294.05179	2.0
295.02771	1.4
295.06027	5.0
296.03122	3.5
296.06622	1.9
297.03915	11.1
297.07565	5.2
298.04630	1.7
298.08160	3.0
299.02103	2.2
299.05652	42.9
299.09134	8.6
300.05856	3.5
301.10797	7.0
305.04364	3.0
309.07492	1.4
310.08411	1.0
311.05505	6.9
311.09064	2.5
312.06259	9.2
312.09900	4.8
313.06836	2.0
321.03909	3.4
322.04630	3.4
323.05466	5.5
323.08966	1.8
325.07025	6.7
325.10440	1.8
326.07883	11.1
327.08566	25.4
327.12344	7.5
328.09253	4.6
329.10190	2.4
336.06470	2.4
337.07034	4.0
338.07956	4.4
339.04953	2.2
341.10150	1.2
342.07123	1.2
342.11081	2.3
343.11658	5.8
351.08661	9.4
352.09299	1.6
353.06454	1.4
353.10239	10.3
354.07230	3.7
355.08054	4.1
369.09549	21.1
370.10031	2.2
371.11450	5.1
379.08182	2.9
387.10657	3.7
397.09155	9.7
399.07025	1.4
413.08401	1.2
415.10126	3.2
415.23114	2.5
416.23389	1.6
423.07071	9.6
424.07684	1.3
429.11984	11.3
430.12158	1.3
433.10895	1.5
439.10037	2.7
441.08020	4.2
459.08603	3.5
459.13013	4.6
483.09308	14.0
484.09656	2.1
489.14026	13.1
490.14035	1.4
501.10208	2.8
509.08109	1.2
513.10370	13.1
514.10803	1.7
517.12720	1.4
519.11145	1.7
531.11371	1.6
543.11401	34.8
544.11444	3.2
559.14447	1.5
561.12421	13.0
579.13239	1.6
585.12689	1.4
603.13617	10.9
604.13654	1.1
621.14563	42.2
622.15186	4.4
885.24835	5.5
921.20557	30.7
922.20715	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	919.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66204	0.4
69.23152	3.5
73.02949	0.7
85.02955	1.6
87.00873	0.7
92.94761	0.3
93.03457	1.1
96.96059	0.4
98.20691	0.9
101.02423	0.5
110.00088	0.4
113.02433	0.8
121.02930	1.1
122.03785	0.4
123.00883	1.2
123.04457	0.4
123.70897	0.4
124.01636	1.1
125.02447	0.5
132.02164	0.7
133.02989	1.2
137.02429	2.0
138.03203	0.8
139.03990	1.6
145.02946	0.9
146.03764	2.0
147.04521	2.3
149.02454	0.4
149.06110	1.0
151.04047	0.5
156.05750	0.5
159.04527	0.6
161.02382	2.9
162.03210	0.7
163.00357	1.4
163.04013	0.6
164.04814	0.6
173.02438	1.3
173.04558	0.5
174.03207	1.7
175.00516	0.4
175.03981	5.4
176.04770	2.1
177.01828	0.4
177.05571	0.4
183.04491	1.0
184.05331	0.6
187.03999	1.1
188.04788	3.7
189.01909	0.4
189.05568	6.8
190.02705	1.1
190.99866	3.2
191.03482	0.4
196.05257	0.9
199.03944	1.0
200.04723	1.9
202.02588	0.4
203.03494	1.5
204.04240	0.4
205.05035	1.0
210.03259	0.4
211.04005	1.7
212.04735	1.2
213.05530	0.5
214.02722	1.0
215.03470	1.4
224.04689	0.9
225.05647	1.9
227.03441	3.7
227.07106	0.4
228.04222	3.6
232.03519	0.5
237.05566	0.5
239.03471	2.5
239.07271	0.6
240.04237	12.9
241.05022	1.8
249.05663	1.1
250.02707	1.3
251.03427	1.5
252.04247	1.3
253.05064	2.9
254.05687	0.6
255.02982	4.2
255.06535	0.6
256.03751	2.7
265.05011	1.3
267.03033	1.7
267.06659	2.2
268.03809	3.9
269.04541	4.5
270.05258	4.1
271.06104	2.2
277.05069	0.8
278.02289	0.5
279.02969	4.0
280.03613	1.2
281.04605	2.7
282.05209	0.8
283.02481	5.7
283.06091	5.5
284.03244	100.0
285.03714	7.6
285.07513	2.1
286.08411	1.2
293.04483	3.4
294.05075	1.0
295.02716	0.7
295.06049	3.4
296.03223	12.4
296.06287	0.5
297.03976	3.5
297.07635	1.4
298.04816	1.1
298.08453	3.5
299.05594	71.9
300.05936	4.6
301.10727	0.8
305.04376	0.5
308.03363	0.5
308.06845	0.5
309.03964	0.7
310.04807	1.1
310.08447	1.4
311.05582	20.0
311.08731	0.7
312.06326	4.8
313.07159	4.1
321.03989	1.7
323.05646	1.4
325.07150	5.7
325.10715	1.3
326.07907	30.6
327.08575	9.2
328.09467	6.7
337.03482	0.5
339.05069	4.7
340.09473	0.6
341.10294	8.4
342.10837	2.1
343.07684	0.8
343.11826	15.5
344.12103	0.9
351.08160	0.5
353.06534	2.6
354.07404	12.9
355.07700	0.8
367.08255	5.0
368.08945	11.8
369.09744	94.8
370.10028	6.7
383.11279	1.4
385.12878	1.6
386.09698	0.5
387.10852	3.2
395.07516	0.9
411.10831	28.5
412.11639	2.0
413.08545	0.8
427.10358	3.4
428.10999	1.3
429.11844	16.2
430.12036	1.1
459.12976	1.3
471.12903	13.4
472.13266	0.6
488.13196	0.7
513.13867	1.1
515.11761	1.6
531.15045	78.6
532.15283	7.1
557.13660	0.5
828.33258	0.4
831.20752	0.6
906.99915	0.4
919.30475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95632	0.3
64.68799	0.3
65.00336	1.1
66.92010	0.3
69.70052	0.4
69.88692	1.5
71.01387	0.8
73.02966	0.3
83.01392	0.9
85.02952	1.3
87.00886	1.2
88.25555	0.3
91.01884	0.5
93.03469	0.8
97.06581	0.5
101.02447	0.6
107.01394	2.9
108.02161	2.4
109.02952	0.3
113.02496	0.4
119.05019	0.4
121.02955	2.2
123.04550	0.4
125.02447	0.6
132.02182	0.8
133.02946	1.4
134.03763	0.8
135.00902	1.4
135.04553	0.4
137.02417	0.8
139.04001	0.3
145.02969	0.8
146.03656	0.4
147.04509	1.3
148.01651	1.7
151.00366	7.9
152.01157	0.5
159.04469	0.4
160.01657	1.9
161.02469	2.9
163.00368	1.2
163.04085	0.5
164.01105	0.7
164.04767	0.4
173.04562	0.6
174.03284	0.4
175.04005	1.3
178.99881	4.9
187.04028	0.5
190.99913	0.3
191.01912	0.5
191.05565	0.4
193.04999	0.7
198.03223	0.5
199.04024	0.8
201.02007	0.4
201.05508	0.4
203.03506	0.7
211.04002	0.8
215.03500	0.9
216.04286	0.9
217.55292	0.3
226.02711	1.8
227.03496	4.1
228.03883	0.4
229.01408	0.3
229.05109	0.5
243.00450	0.7
243.02969	13.9
244.03569	0.9
245.04446	0.5
254.02165	2.3
255.02974	30.2
256.03305	1.8
271.02463	66.1
272.02942	6.0
273.03922	0.6
283.02365	0.7
283.09177	0.3
284.03284	2.0
285.03760	0.5
299.01944	4.6
299.05637	0.9
300.02734	100.0
301.03339	12.7
302.03900	0.3
315.05005	0.9
351.10748	0.7
368.05145	0.3
369.11929	3.4
383.99844	0.4
502.25885	0.3
527.98596	0.4
590.22076	0.3
621.67981	0.4
683.25800	0.4
687.28198	0.3
723.17377	0.7
741.18848	11.9
742.19006	1.4
755.19855	1.6
767.17010	1.1
770.93439	0.3
816.72168	0.3
885.24945	0.6
917.23468	38.3
918.23999	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	915.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.1
68.00764	0.2
69.16422	1.7
69.16846	0.9
83.01398	0.9
85.02966	0.4
85.76894	0.3
87.00856	0.3
93.03467	0.8
98.19902	0.5
107.01394	2.6
117.03419	0.3
119.05018	0.3
121.02943	0.3
123.73262	0.3
132.02173	7.7
133.02972	2.6
134.03712	1.0
135.00883	0.9
135.04449	0.4
143.04971	0.5
145.02962	0.6
147.04555	0.4
149.06023	0.3
151.00356	3.9
152.01132	0.6
159.04475	0.6
160.01654	19.0
161.02444	7.0
163.00383	1.7
163.03998	0.4
164.01134	0.8
167.05119	0.4
169.01437	0.4
169.06512	0.3
173.04521	0.8
175.03989	10.2
178.99887	1.1
183.04498	1.3
185.02390	0.7
185.05998	0.4
187.03929	0.5
187.86234	0.3
189.05566	0.3
190.99921	0.4
193.05020	0.4
199.03992	0.6
200.04774	0.3
211.04001	2.3
213.05502	0.6
227.03481	44.2
228.03854	2.2
229.05075	1.6
239.03537	1.3
240.04143	0.7
241.05104	0.5
255.02968	85.3
256.03552	9.5
257.04489	2.4
283.02527	3.2
284.03244	100.0
285.03912	18.6
285.06555	0.2
286.04254	0.7
298.04892	1.5
299.05582	1.5
327.05237	0.5
339.05127	0.5
369.11884	0.8
371.24344	0.3
393.05933	0.4
721.19952	0.7
739.20795	4.7
740.21234	0.7
753.22449	2.4
779.20868	0.6
811.02045	0.3
821.74957	0.3
915.25592	49.6
916.25952	9.4
916.40289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.256
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26290	0.3
65.00337	0.9
65.85249	0.4
69.34575	1.9
69.34980	0.9
71.23753	0.3
83.01393	1.2
83.05014	0.6
85.02952	0.9
87.00877	1.6
93.03458	1.7
101.02451	0.4
107.01394	2.1
109.02970	0.5
111.04569	0.4
113.02438	0.5
117.03451	0.7
119.05073	0.7
121.02952	1.4
122.03745	0.4
123.04536	0.4
125.02473	0.6
132.02165	8.6
133.02954	5.3
134.03738	1.3
135.00893	1.5
135.04523	1.3
137.02444	0.7
143.04980	0.4
145.02957	1.6
146.03712	0.5
147.04517	1.5
149.06107	0.5
151.00372	4.6
158.01266	0.5
159.04543	0.5
160.01659	18.3
161.02434	13.5
162.02791	0.6
163.00381	1.2
163.03957	1.2
164.01184	0.9
169.01395	0.5
171.04494	0.6
173.04602	0.9
173.05995	0.6
175.03993	9.8
178.99860	1.7
182.03714	0.6
183.04539	1.3
185.02435	0.6
185.06085	0.5
187.03990	1.2
190.99898	0.5
191.05588	0.8
191.07242	0.4
193.05017	0.7
194.68871	0.4
195.04559	0.5
199.03944	0.7
200.04797	0.6
211.04068	2.0
212.04698	0.5
213.05614	0.8
227.03485	43.0
228.03899	2.6
229.04982	1.9
239.03488	1.3
240.04253	0.4
241.05093	0.9
243.10324	0.5
255.02979	83.4
256.03589	9.7
257.04605	1.8
269.04520	0.4
283.02512	5.9
284.03250	100.0
285.03931	20.7
286.04465	0.6
298.04742	2.8
299.05692	3.0
339.04990	0.6
351.10886	3.1
369.11896	0.5
393.06015	0.5
721.19855	0.6
739.20929	4.2
753.22369	3.6
754.22083	0.5
779.20831	1.1
915.25574	47.5
916.25873	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	915.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	1.1
66.06914	0.3
70.54419	0.3
70.54769	0.9
83.01388	0.7
85.02941	0.7
93.03449	0.7
96.58723	0.3
96.96048	0.4
99.35545	0.3
101.02446	0.3
107.01376	2.4
108.02223	0.4
109.02969	0.4
117.03458	0.4
119.04962	0.3
120.02130	0.4
121.02988	0.7
132.02155	8.0
133.02946	5.5
133.29988	0.3
134.03726	1.9
135.00894	1.2
135.04533	0.7
143.05226	0.4
145.02939	0.5
147.04543	0.6
149.06021	0.5
151.00351	4.7
152.01105	0.5
159.04469	0.4
160.01643	20.2
161.02425	13.6
162.02765	0.6
163.00360	1.5
164.01144	0.6
167.04948	0.4
169.06651	0.4
175.03990	10.3
176.04364	0.6
178.02696	0.5
178.99840	1.2
183.04448	1.1
185.02403	0.6
185.06079	0.4
187.03938	1.0
199.03964	0.7
200.04692	0.8
211.03960	2.0
212.04657	0.7
213.01836	0.4
213.05490	0.7
227.03467	44.6
228.03853	2.6
229.04974	2.1
239.03490	1.1
241.05049	1.0
255.02951	94.5
256.03540	10.1
257.04565	2.8
283.02460	5.9
284.03223	100.0
285.03879	19.5
286.04239	0.8
298.04800	2.2
299.05533	3.3
327.05072	1.0
339.05084	0.4
404.19107	0.3
425.57901	0.3
739.20905	4.1
740.21027	0.5
751.46069	0.4
753.22540	3.5
765.18317	0.5
779.20441	0.6
915.25555	55.7
916.25739	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	907.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	9.9
71.54324	0.4
72.99302	0.9
73.02949	3.5
75.00892	0.2
82.56915	0.2
83.01398	0.5
85.02941	1.6
87.00869	0.7
89.02442	12.7
93.03451	0.3
95.01374	0.3
97.02917	0.3
99.00878	10.9
100.01149	0.2
101.01801	0.4
101.02441	6.4
111.00877	0.3
113.02438	1.8
119.03478	0.9
124.17207	0.2
125.02438	1.0
128.73167	0.2
131.03517	1.7
137.46707	0.2
141.72087	0.2
143.03490	0.2
147.04530	0.2
147.08061	0.2
149.04567	3.0
149.05771	0.4
161.04510	0.6
163.11276	1.6
173.04543	0.3
173.85768	0.2
191.05598	3.6
207.10248	2.8
225.11215	0.3
387.16623	6.5
388.16898	1.2
389.17139	0.5
456.08414	0.2
456.56485	0.2
519.20789	100.0
520.21118	10.2
907.27155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99827	3.0
69.03455	2.1
69.25900	1.4
71.01382	38.5
72.99317	2.5
73.02953	6.3
74.13776	1.9
75.00863	9.7
78.95905	1.9
83.01384	5.2
85.02956	19.3
87.00867	20.0
89.02439	13.0
90.17668	1.5
95.01378	6.0
98.20664	3.2
99.00874	21.6
101.02440	11.0
113.02452	14.4
119.03529	2.9
130.99857	4.9
131.03490	10.5
139.00398	2.4
147.04529	6.7
149.04491	2.3
161.04500	2.7
166.74332	1.5
172.19063	1.6
185.63322	1.4
191.05643	9.1
192.04121	1.9
202.59554	1.5
209.11821	1.9
211.13431	2.0
227.50763	1.8
254.04395	3.6
336.78775	1.6
377.55093	1.6
439.36035	5.1
509.40192	7.0
511.00998	1.6
672.75195	1.6
705.41614	1.8
893.36285	2.2
893.51349	2.3
911.50568	100.0
912.50891	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	905.49
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13576	0.2
67.01891	0.6
68.99815	2.9
69.03460	2.1
70.44180	0.6
71.01380	25.0
72.99304	2.2
73.02950	1.7
75.00871	12.9
75.01309	0.5
78.95887	0.3
83.01390	3.9
85.02949	9.0
86.00085	0.2
87.00877	2.6
87.91573	0.2
89.02446	8.6
95.01385	4.2
97.02949	4.2
99.00876	12.4
101.02438	11.2
102.02774	0.3
111.00848	0.4
112.01648	0.7
113.02444	7.9
115.00359	0.6
116.92850	1.0
119.03477	1.6
125.02444	5.8
129.01958	0.5
131.03458	0.5
139.00330	0.7
143.03485	0.5
155.03482	0.2
157.01405	1.0
161.04514	1.0
250.18904	0.3
299.28537	0.2
465.37433	0.3
532.72089	0.2
565.39014	1.2
635.43585	0.3
707.41394	0.3
725.42859	0.4
805.47833	0.3
905.48987	100.0
906.49353	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	903.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98212	0.6
69.38139	2.8
69.38561	1.9
70.02301	0.5
73.02937	1.1
75.73689	0.6
83.01398	0.7
85.02940	2.8
87.00878	2.7
93.03471	2.6
99.00885	1.3
101.02429	0.6
101.61271	0.6
109.02958	1.0
113.02433	1.4
117.03421	0.8
119.05005	0.9
121.02937	2.8
122.03706	0.7
123.00906	1.5
124.01646	1.1
125.02386	0.8
131.04990	0.8
132.02151	1.1
133.02975	1.0
137.02448	1.9
138.03276	1.5
145.02928	2.9
146.03786	1.6
147.04510	2.5
149.02492	0.9
149.06041	0.8
151.00424	0.8
152.04715	0.9
153.05557	0.8
157.02968	0.7
159.04498	17.1
160.05275	3.0
161.02415	2.5
161.06116	4.3
162.03041	0.7
163.00380	1.4
163.03998	2.5
164.04730	0.8
165.05554	1.0
171.04472	1.4
172.05191	1.4
173.02393	3.2
173.04526	1.7
173.06058	7.4
174.03088	0.8
175.04010	1.9
183.04507	0.8
184.89682	0.8
186.03217	0.7
187.04002	4.5
190.99774	3.1
191.03580	1.1
191.05574	1.2
195.04483	0.7
199.04001	2.4
200.04778	2.2
201.05537	1.2
203.03511	2.7
209.02936	0.6
211.03969	2.7
211.07632	0.8
213.01891	0.7
213.05598	1.0
215.03510	1.3
216.00554	0.8
217.01437	5.2
217.04927	0.7
221.06047	0.9
227.03439	5.9
228.04248	3.6
229.01427	2.8
229.04742	1.1
230.02156	1.5
231.02771	0.8
233.06279	0.7
237.05669	1.5
239.03438	2.3
239.07173	1.9
240.04265	9.3
241.04865	0.8
243.02879	0.7
245.04663	0.6
249.05586	4.5
250.06250	0.8
251.07002	3.5
252.07640	0.7
253.04945	0.8
255.02989	5.7
256.03674	2.3
257.04767	0.8
262.06479	0.6
264.04248	1.1
265.05051	3.3
266.02158	0.8
266.05640	0.9
267.03171	0.7
267.06656	2.6
269.04431	1.2
269.08157	0.6
270.05612	0.6
271.06107	1.2
275.03662	1.0
276.04199	1.3
277.05075	12.3
278.05679	2.6
279.03159	1.6
279.06644	3.9
281.04590	2.8
282.05215	2.9
283.02487	5.4
283.05820	1.2
284.03262	100.0
285.03708	8.2
285.06894	1.2
291.06549	0.7
292.03873	0.7
293.04599	7.3
294.05380	4.5
295.06027	8.9
296.06729	3.5
297.07605	7.1
298.04813	0.7
298.08322	1.4
299.05609	53.3
299.08789	1.9
300.02991	0.9
300.05960	3.8
303.02911	1.7
305.04617	7.2
305.07822	1.2
306.05069	2.6
307.06186	1.8
308.03503	0.7
308.06891	1.9
309.07639	2.9
310.05103	0.8
310.08334	3.8
311.09299	2.4
312.10031	4.6
313.10461	0.7
316.16519	0.7
319.05832	1.9
320.06973	1.1
321.04019	7.1
321.07501	1.2
322.04849	6.5
322.08316	1.4
323.05582	10.2
323.09290	2.6
324.05850	1.5
325.07370	1.2
325.10812	5.5
326.07828	0.7
327.08722	1.3
327.12274	6.2
336.06384	4.8
337.07108	8.4
338.04025	1.2
338.07928	11.4
339.08545	1.8
341.06528	0.8
349.03473	1.2
350.07803	0.9
351.08588	18.4
351.12534	1.0
352.09158	4.5
353.10278	23.3
354.10818	1.4
363.05127	1.5
364.05823	1.3
369.09839	1.5
371.11520	4.2
379.08218	5.6
383.07965	0.8
396.08527	2.1
397.09314	12.5
398.09662	0.8
408.03998	0.7
411.10944	1.8
413.12460	2.8
415.10590	2.3
423.07208	25.0
424.07724	2.5
439.10382	6.9
445.11444	1.1
455.13577	2.3
457.11667	2.3
469.11438	2.4
483.09302	28.3
484.09814	3.6
499.12488	13.1
500.12808	2.3
513.10309	21.7
514.10706	2.3
515.15680	3.6
543.11395	40.1
544.11755	5.0
559.14459	16.1
560.15009	2.3
585.12305	9.5
586.12854	1.3
603.13501	20.5
604.14020	3.7
663.64288	0.9
846.69415	0.8
903.19409	10.3
904.20404	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	907.194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	3.0
68.83076	0.4
68.99807	0.4
69.22775	0.7
69.23177	3.2
71.01382	1.1
72.99304	0.4
73.02976	0.4
74.88207	0.4
85.02940	0.8
87.00858	1.2
88.98843	0.5
92.99843	0.6
95.01372	0.7
96.95998	0.4
96.99283	0.8
99.00869	0.7
101.02441	0.8
110.00098	4.9
111.00882	2.8
113.02440	1.1
117.03486	0.7
119.05015	0.8
121.02950	1.1
123.00858	0.5
124.01672	0.6
125.02449	0.4
125.99628	0.7
132.02219	0.4
136.98785	2.6
137.02425	1.6
137.99568	0.7
139.00369	4.7
140.01128	1.3
145.02939	1.7
147.04492	2.2
151.00357	0.7
152.01042	0.6
155.03522	1.0
161.02428	0.5
163.00462	0.5
163.04012	0.7
164.84866	0.4
164.98260	5.1
165.01872	0.4
165.99065	14.1
166.99820	1.8
173.04590	0.5
178.99860	1.5
181.01428	3.6
182.99295	0.6
191.03503	1.0
192.04199	0.6
195.06575	0.6
198.03212	0.7
199.04105	0.5
209.00745	0.5
215.03441	1.2
215.10902	0.4
226.02579	0.7
227.03503	2.1
241.01256	0.4
245.11876	0.4
251.03569	0.4
255.02957	3.9
256.03598	0.7
271.02478	0.7
284.03262	3.7
285.04001	4.0
295.02399	0.7
299.07050	0.5
311.01978	1.9
312.02792	2.6
315.06552	0.6
326.04449	0.7
327.06479	1.1
331.05838	0.5
332.06891	0.8
333.09879	2.6
343.06088	3.2
344.06790	0.8
345.07864	0.9
351.10883	0.5
356.06747	0.5
358.04727	0.6
359.05582	2.6
369.11923	1.1
371.05637	4.8
372.06317	6.2
373.07077	3.0
377.03430	0.5
386.04184	0.8
387.05060	6.4
388.05844	11.9
389.06464	1.9
393.02576	1.7
398.04208	1.2
399.04932	1.7
402.07803	1.9
403.08243	3.5
415.04376	1.3
416.05344	5.0
417.06046	2.7
418.03003	0.5
419.03607	0.5
421.01929	3.2
422.02664	1.5
430.06973	0.9
431.07806	2.8
436.04456	3.3
437.05124	1.0
442.03098	0.6
443.03711	1.1
445.02115	0.4
447.09259	1.5
447.16449	1.1
448.00873	0.5
457.05640	0.5
463.02994	1.2
514.08594	0.6
583.05121	0.9
598.07605	3.0
599.07751	0.7
613.09827	100.0
614.10193	14.1
614.20221	0.9
689.14752	0.4
827.95978	0.5
871.22992	1.5
907.19098	10.5
907.35974	0.8
908.19360	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	901.24
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02399	1.0
65.00322	0.9
70.83865	0.8
78.37581	0.3
83.01388	0.8
85.02946	0.6
93.03458	0.7
98.17019	0.4
99.00900	0.3
107.01379	2.2
109.20804	0.3
117.03458	0.9
119.05022	0.7
121.02948	0.4
123.00835	0.4
125.02445	0.3
129.51442	0.4
132.02165	6.3
133.02963	3.7
134.03712	1.5
135.00883	1.2
135.04495	0.8
143.05020	0.4
149.06064	0.5
151.00362	5.5
152.01172	0.5
157.06638	0.4
159.04480	0.5
160.01643	18.6
161.02431	8.8
163.00354	1.2
164.01166	0.7
167.05016	0.3
169.01465	0.5
171.04465	0.7
173.04607	0.4
175.03998	11.0
176.04224	0.5
178.99838	1.5
183.04488	0.9
185.06082	0.7
187.03995	1.1
190.99884	0.4
193.05061	0.7
199.04019	0.5
200.04788	0.6
204.49927	0.3
211.03941	2.5
212.04770	0.8
213.05641	0.7
226.02661	0.3
227.03482	37.9
228.03914	1.9
229.05032	2.7
239.03467	1.3
250.86256	0.4
255.02965	76.7
256.03601	8.8
257.04517	3.5
269.04614	0.5
271.02420	0.5
283.02460	5.1
283.05640	0.6
284.03232	100.0
285.03925	25.8
286.04263	1.4
298.04779	1.9
299.05466	2.8
300.02603	0.7
309.03741	0.4
327.05139	0.9
707.18445	2.7
725.19324	10.9
726.19617	1.5
739.20856	3.6
740.20984	0.8
751.17316	0.8
765.19342	0.6
898.69189	0.4
901.24011	48.4
902.24286	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	901.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.8
65.00323	1.3
71.54445	0.4
73.02944	0.3
73.60271	0.3
81.80201	0.3
83.01395	0.9
85.02968	0.6
87.00886	1.1
89.02446	0.3
93.03467	1.0
94.55494	0.3
97.06609	0.4
100.70655	0.3
107.01392	2.6
117.03438	0.8
119.05039	0.6
121.02937	1.0
123.00838	0.3
123.04494	0.3
125.02422	0.4
132.02168	7.3
133.02977	2.4
134.03752	2.0
135.00874	1.2
135.04475	0.4
143.05093	0.5
145.02940	1.0
147.04526	0.9
149.06107	0.6
151.00369	4.8
152.00995	0.4
159.04477	0.6
160.01654	18.8
161.02448	7.7
163.00362	1.4
164.01173	0.7
169.01410	0.3
169.06595	0.3
171.04477	0.7
173.04570	0.6
175.04002	12.1
176.04343	0.4
178.99930	1.5
183.04488	1.1
185.02443	0.5
185.06090	1.0
187.03931	1.4
189.05559	0.4
191.03545	0.3
191.05598	0.3
193.05026	1.0
194.95412	0.4
199.04008	0.6
200.04776	0.5
203.73256	0.3
211.03955	2.5
212.04843	0.4
213.05519	0.9
227.03481	40.6
228.03946	2.3
229.05054	2.9
239.03432	1.2
240.04239	0.4
241.04854	0.4
255.02968	78.6
256.03552	10.6
257.04507	3.3
258.04974	0.4
283.02490	3.5
284.03241	100.0
285.03940	25.9
286.04373	1.4
295.06110	0.5
298.04794	1.0
299.05640	1.9
300.02664	0.5
327.05130	0.6
339.05002	0.6
349.09308	0.6
351.10742	2.0
436.09543	0.3
455.93365	0.4
509.49933	0.3
549.19464	1.0
557.13574	0.4
593.15289	0.3
703.81696	0.4
707.18103	4.1
708.18732	0.6
725.19330	16.2
726.19672	1.6
739.20856	2.9
740.21637	0.5
751.18060	0.6
765.18951	0.4
901.24017	44.5
902.24420	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63956	1.8
71.01381	11.8
71.54004	1.8
71.54392	2.2
73.02964	2.0
75.00854	2.3
83.05033	3.8
85.02941	2.5
87.00855	2.4
89.02441	12.6
101.02428	11.4
113.02478	6.0
119.03503	4.9
125.02483	3.2
143.03450	2.5
161.04553	3.1
165.12726	2.6
179.05647	4.3
181.36946	1.8
194.78262	2.0
209.11806	100.0
210.12140	4.4
227.12866	26.2
235.08145	4.7
255.20688	3.3
255.23279	47.8
256.23697	4.0
266.71164	2.4
280.10358	2.1
305.08881	3.1
323.09970	3.2
379.12451	18.0
397.13486	68.5
398.13742	4.6
415.14459	7.6
509.69406	2.1
589.24915	8.0
607.26019	8.4
635.36603	7.1
651.68713	2.2
653.37604	14.3
701.68073	2.3
828.51935	2.4
845.48535	5.1
899.47491	55.8
900.47882	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	901.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	6.3
72.99305	1.2
73.02930	1.6
75.00852	1.4
83.01410	0.8
85.02946	3.6
87.00881	6.5
89.02428	2.4
89.03953	1.8
93.03431	2.0
95.01392	1.6
95.49268	0.8
96.95996	1.7
97.02923	0.9
99.00858	1.0
101.02439	2.1
109.02921	1.7
111.00855	1.3
113.02438	2.8
117.03407	1.5
119.04984	1.4
121.02946	1.5
123.00904	5.4
124.01657	1.3
125.02440	1.9
129.01913	0.7
130.99808	1.4
132.02135	1.0
133.02930	4.9
134.03755	1.8
137.02425	11.0
145.02946	3.2
146.03697	1.1
147.04523	4.1
149.02467	2.5
149.04678	0.8
149.06107	1.2
151.00333	1.0
159.04410	1.9
160.01630	3.4
161.02419	18.4
162.03102	2.8
163.00342	1.0
163.03995	2.2
164.01210	1.0
164.04829	1.1
165.04021	2.3
167.03404	1.0
173.04512	1.9
174.03241	0.8
175.00323	2.1
175.03973	3.0
176.01140	2.1
177.01921	21.3
178.02541	1.0
179.03424	1.0
187.04045	3.8
189.01921	12.7
190.02715	6.5
190.99850	2.3
191.03505	1.8
191.05495	1.1
193.04941	1.4
199.04005	1.3
200.01215	0.8
200.04802	1.6
201.01900	1.9
202.02632	1.5
203.03455	1.9
205.05013	3.1
205.06813	0.8
209.05983	0.9
211.03958	1.2
213.01909	1.2
214.02631	1.2
215.03508	9.5
219.02879	1.3
223.06047	1.1
227.03371	4.1
228.04239	3.2
229.01382	2.6
230.05833	1.4
233.00890	7.9
234.01610	1.3
237.05447	1.0
239.03569	2.1
239.07103	1.1
240.04254	8.8
241.04820	1.5
243.03114	1.0
245.08110	2.2
249.05621	1.8
253.05003	1.1
255.03012	3.9
255.06721	0.9
256.03601	1.7
265.04929	3.6
265.78000	0.9
267.02829	1.1
267.06815	2.3
268.03702	1.9
269.04575	1.7
271.02505	1.3
277.05054	1.9
278.05722	1.1
279.06491	1.2
281.04507	2.7
283.02386	4.1
283.05948	2.0
284.03232	85.0
285.03729	8.8
293.04529	6.0
295.02927	0.9
295.06067	3.9
296.03165	2.3
299.05585	39.4
300.05930	2.9
305.04297	1.2
308.03265	1.3
309.03940	4.7
309.07452	1.4
310.08112	1.8
311.05643	5.5
315.04819	0.8
321.03925	6.0
322.04669	1.5
323.05542	1.8
324.02701	1.8
325.10745	2.1
326.07785	2.5
333.09680	1.1
336.06183	1.5
337.03479	13.4
337.07050	1.0
338.04077	3.0
338.07816	1.5
339.05069	16.4
339.08963	1.9
340.05347	1.0
341.10220	4.4
351.04919	1.7
351.10663	4.2
352.05847	5.5
352.09885	1.1
353.06555	6.5
353.10410	2.3
354.07407	11.0
365.02985	8.9
366.03137	1.0
366.07547	0.9
367.08109	17.0
368.08945	5.1
369.09732	30.4
370.10007	3.2
380.05240	5.4
393.06012	1.0
394.06531	1.1
395.07697	12.4
397.09128	1.4
411.10901	2.1
413.08722	4.5
439.06540	5.7
440.07037	1.6
453.08096	1.6
454.08740	1.4
455.09921	10.6
456.10175	1.3
485.10986	1.0
497.10892	9.1
498.11768	0.9
527.11377	0.9
539.11621	1.0
557.12958	100.0
558.13483	10.8
601.11938	31.8
601.21783	1.5
601.93378	0.8
602.12329	4.4
803.85889	0.9
857.19141	12.1
857.33228	0.9
858.19781	3.4
901.18134	6.8
901.35614	2.8
902.18512	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	3.6
71.01009	0.9
71.01379	12.6
71.05003	1.4
71.08357	1.2
72.99296	1.9
73.02920	1.7
78.95935	0.5
81.03416	0.5
83.01387	0.8
85.02939	3.1
87.00883	2.7
89.02441	7.9
91.47242	0.4
95.01398	0.7
97.02942	2.2
99.00900	1.3
101.02433	8.4
111.00899	0.6
113.02424	3.6
119.03493	1.5
125.02428	1.6
125.09663	1.3
134.45946	0.5
143.03500	0.5
146.23544	0.5
151.11259	1.4
153.12823	1.1
161.04500	1.7
161.09688	1.9
179.10722	3.9
188.04562	0.5
197.11816	54.3
198.12117	1.5
205.08676	0.7
206.88023	0.5
211.13297	0.8
221.06625	2.3
223.09732	1.3
235.08208	1.2
241.10817	3.7
241.14517	0.6
253.09183	1.0
277.21707	18.1
278.22269	1.1
316.42831	0.5
352.17029	0.6
379.11526	0.5
397.13559	2.7
415.14584	1.0
498.44968	0.6
624.17273	0.6
639.24347	0.6
881.45367	0.7
899.46411	100.0
900.46820	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	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50350	0.5
65.65260	0.6
69.03467	4.4
71.01380	14.2
71.05011	1.0
72.99290	1.3
73.02931	2.2
83.01376	1.0
85.02956	3.1
87.00871	3.2
89.02448	6.7
92.87798	0.7
95.01377	0.7
97.02935	2.5
97.06584	0.7
99.00906	0.6
101.02435	7.9
111.93900	0.6
113.02443	3.9
116.92767	0.6
119.03484	1.1
120.95088	0.6
123.08181	1.1
125.02417	1.8
125.09695	2.1
126.58182	0.6
129.07295	0.6
143.03477	0.6
146.30934	0.7
151.11235	1.6
153.12843	0.8
161.04486	1.1
161.09662	2.6
179.10754	4.1
197.11818	32.7
198.12183	1.6
211.13303	0.7
221.06586	1.1
223.09749	1.3
235.08211	0.9
241.10728	1.5
277.21704	32.8
278.21997	1.8
355.81613	0.6
360.69788	0.6
397.13455	1.8
463.43152	0.7
746.52899	0.8
852.49597	0.7
899.46442	100.0
900.46912	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.6
68.99818	2.3
69.03447	1.4
70.11848	0.4
71.01379	29.6
71.08526	0.9
71.89656	0.4
72.99312	2.3
73.02950	8.6
75.00864	14.0
80.69200	0.4
83.01379	3.3
85.02946	23.8
86.00088	1.7
87.00869	9.0
87.04521	2.0
89.02440	3.7
95.01389	3.0
97.02945	0.4
99.00276	0.7
99.00880	11.9
99.04483	0.5
101.02451	3.5
103.03998	1.5
113.01727	0.7
113.02451	10.5
115.00343	0.4
115.04001	3.0
117.46443	0.5
119.03458	0.6
130.99828	0.6
131.03476	6.3
135.07224	0.4
143.03500	5.9
145.05054	1.1
152.00815	0.4
157.01453	0.6
163.06091	1.1
205.07150	3.1
211.13257	0.7
414.61572	0.4
439.35748	3.3
509.39838	1.6
599.39624	0.5
877.50153	0.9
895.50562	100.0
896.50983	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.4
67.01898	0.2
71.54467	0.2
72.31278	0.1
73.02945	0.3
79.95660	0.2
83.01337	0.2
83.96101	0.2
84.83018	0.2
85.02934	0.5
87.00871	1.3
89.02434	0.4
93.03434	0.4
96.95982	0.3
99.00903	0.1
101.02439	0.5
101.63956	0.1
102.55351	0.1
108.02087	0.2
113.02444	0.6
117.03482	0.3
119.01431	0.2
119.05006	0.3
121.02953	0.4
122.82138	0.1
126.70747	0.1
127.82511	0.1
130.99844	0.4
132.02174	0.6
133.02959	0.6
134.03749	0.2
137.02437	1.3
145.02942	0.6
147.00894	0.2
147.04521	0.3
149.02412	0.7
150.03143	0.3
151.00319	0.2
156.05681	0.2
163.00389	0.8
163.03984	0.5
164.01137	0.2
164.04771	0.6
165.01924	5.6
165.05591	0.3
167.04865	0.2
173.04529	0.4
173.05940	0.2
175.00333	0.4
175.03917	0.2
179.03462	0.8
179.07072	0.2
180.04295	2.3
181.04994	0.2
183.04477	0.6
184.03551	0.2
184.05263	0.5
187.03888	0.4
190.02693	1.6
190.99870	2.5
191.03464	0.3
193.05075	0.2
195.06627	3.1
199.03978	0.6
200.04820	1.7
203.03450	0.2
205.05016	2.2
206.05687	0.3
208.03667	0.3
210.03326	0.3
210.05327	0.6
211.04050	0.8
212.04681	0.6
212.34071	0.2
221.08131	0.3
223.06065	2.0
225.07666	3.4
226.08043	0.2
227.03470	2.6
228.04276	2.7
232.03566	0.2
238.02698	0.4
239.03545	1.5
240.04271	7.4
241.04518	0.4
254.04271	0.5
255.02962	3.0
255.06659	0.3
256.03696	1.2
265.07196	2.0
266.02115	0.3
267.02942	0.2
268.03729	0.2
281.04752	0.2
283.02496	5.0
284.03247	90.8
285.03586	5.1
298.04813	0.4
299.05591	100.0
300.05917	6.0
307.08133	0.4
307.84021	0.2
313.07117	0.3
321.07751	0.2
351.10794	0.4
367.10330	5.8
368.10571	0.3
401.12509	0.3
431.12949	0.2
449.14371	0.8
491.15497	0.5
593.18915	2.1
593.27698	0.3
594.19312	0.3
594.69208	0.2
667.16895	0.8
721.63489	0.2
861.31488	0.3
893.35809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.3
71.01369	9.3
73.02923	3.4
78.95892	2.2
79.05498	3.1
83.17033	1.6
85.02949	2.8
87.00871	62.9
89.02415	3.3
91.05508	4.1
93.03438	4.5
95.05025	3.8
99.00811	2.0
101.02450	3.8
105.03449	4.2
108.02160	1.9
113.02422	3.6
119.04995	4.1
119.38428	1.4
121.02951	22.2
122.03739	11.9
123.04493	4.7
125.02483	1.8
130.99846	26.9
133.02911	1.5
137.02434	12.1
139.03954	4.0
145.02902	6.4
146.03705	3.6
147.04510	39.8
148.05275	11.7
149.02425	4.7
150.03224	3.4
163.03958	6.3
164.04784	3.7
165.05498	2.0
165.12790	1.9
181.12270	2.0
183.13812	4.9
191.03467	4.5
191.10661	3.1
192.02574	1.6
192.04254	8.0
193.05054	2.7
209.11778	21.0
211.13364	35.2
217.01396	3.6
218.02077	7.6
224.03320	2.0
229.93800	2.0
236.03194	3.2
237.03751	1.5
253.09195	2.3
254.04279	17.0
255.05028	1.7
261.43069	1.7
278.11639	1.9
284.03217	2.4
315.15762	2.7
331.03882	1.7
339.16348	1.9
504.75830	1.6
574.73004	1.7
833.36334	2.6
875.37018	5.7
892.88013	2.2
893.37860	100.0
894.38135	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	893.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	8.8
65.00323	10.8
68.78272	1.2
69.72630	2.2
69.72915	6.4
71.01374	6.1
73.02932	1.7
73.37826	1.0
74.85631	1.1
83.01384	9.2
85.02930	5.3
87.00896	5.6
89.02427	1.5
93.03451	4.0
95.01357	3.3
96.95982	2.1
97.06557	1.6
101.02429	3.2
107.01390	20.0
107.05088	1.6
108.52396	1.2
111.00868	2.6
111.31339	1.3
113.02428	2.6
119.05012	6.5
121.02932	6.1
123.00856	3.6
123.04477	2.3
124.01662	16.0
125.02379	3.2
134.03728	1.5
135.04491	1.6
137.02426	2.0
139.00356	2.2
141.01913	1.2
145.02942	4.5
147.04478	3.8
149.02367	1.6
149.06032	1.6
150.03276	1.7
151.00363	75.2
152.01147	54.2
153.01616	2.8
160.01651	1.8
161.02379	3.8
163.00339	3.7
163.04005	4.0
165.01845	2.0
165.05573	2.8
169.01437	8.4
173.04565	2.9
175.03915	3.0
178.99857	89.8
180.00145	1.9
181.04956	1.3
186.03166	1.5
191.05603	2.5
192.00626	4.8
193.01344	4.3
193.05042	2.4
211.04079	1.3
213.01898	1.3
214.02673	2.9
226.06277	2.3
227.03458	7.3
228.00568	1.2
241.01448	3.0
242.02277	7.7
243.02826	2.0
255.02960	15.5
256.03464	3.4
257.04361	3.1
266.02380	1.3
268.03683	1.7
269.00909	10.5
270.01532	3.7
271.02383	4.5
271.05081	1.4
283.02396	2.2
284.03275	20.5
285.03937	7.1
299.02179	1.8
299.05566	3.7
300.02637	2.3
303.06299	1.6
311.01953	1.2
320.03262	1.2
332.03336	1.7
337.03394	1.4
348.02750	2.3
351.10901	2.5
359.05408	2.6
360.06134	1.6
365.02979	3.8
369.12045	12.9
370.04846	2.4
370.12213	6.2
371.12189	1.5
374.04410	2.2
375.00885	2.7
375.05392	5.3
387.04987	5.8
388.05704	4.8
389.06503	1.7
393.02127	1.5
403.04346	8.5
404.01581	5.1
405.02478	2.7
417.05917	2.4
418.07172	2.3
419.03625	3.0
421.02063	7.8
422.02451	4.4
431.00043	1.3
437.04953	2.6
555.05005	1.5
581.07135	3.3
598.07263	1.5
599.08344	11.8
600.09009	1.2
731.14783	1.5
740.68945	1.4
893.17584	100.0
894.18182	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	893.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59843	1.1
68.99805	3.4
70.93179	1.1
71.01381	9.0
73.02946	2.8
78.95896	1.6
79.05507	2.0
79.31392	1.2
85.02939	4.8
87.00874	31.5
89.02424	4.6
90.34715	1.1
91.05526	11.3
93.03439	4.5
93.37749	1.2
95.05028	8.7
96.95969	2.1
97.02936	1.4
98.82455	1.3
101.02398	2.9
103.05505	5.4
105.03447	10.0
108.02140	3.0
113.02393	3.3
117.97179	1.2
119.05035	14.3
121.02936	12.9
122.03693	3.6
123.04464	1.5
129.03415	3.6
130.99821	2.8
132.02077	1.6
133.02959	1.9
137.02425	11.0
139.03941	4.1
145.02965	10.8
146.03749	11.2
147.04512	77.6
148.05319	15.5
149.06020	2.4
158.03816	1.2
159.04428	4.9
160.05290	1.6
163.03984	3.2
164.04721	2.5
172.05240	2.8
173.02293	2.0
173.04523	1.5
173.05965	1.9
174.03116	2.0
183.13802	2.2
184.39320	1.3
185.06079	2.0
186.06834	2.1
187.03981	8.5
187.07562	1.4
188.04724	6.0
189.05537	2.5
191.03510	6.7
192.04247	8.2
193.05063	1.9
201.05527	2.0
209.11807	17.9
211.04013	1.5
211.13379	23.8
213.05466	1.7
214.06264	1.5
215.06909	1.6
217.01382	7.7
218.02214	12.8
219.02666	1.3
229.12581	1.6
236.03111	3.9
253.09238	1.6
269.11710	2.3
284.03204	3.4
285.14883	2.6
287.12735	1.5
289.14468	1.9
295.13254	3.1
297.15018	3.1
299.05560	2.8
300.02878	1.5
313.14456	11.1
314.14700	1.6
315.15796	3.8
321.14679	1.9
323.16696	1.9
331.15445	2.5
339.16052	6.7
341.17459	1.8
357.16794	2.4
445.40460	1.3
447.16376	3.2
787.38501	1.8
805.40045	2.7
849.39276	4.6
857.34808	1.9
875.36322	5.5
893.37805	100.0
894.38373	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.215
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.2
71.54108	0.1
77.50463	0.1
78.91869	0.2
87.00854	0.3
89.02420	0.2
91.44449	0.1
93.03431	0.3
94.94922	0.1
99.00855	0.2
101.53100	0.1
110.00091	0.2
129.01863	0.1
130.04175	0.2
132.02194	0.5
133.02928	0.7
135.00954	0.1
136.54695	0.1
147.04514	0.2
159.04384	0.2
161.02316	0.2
163.00325	0.8
173.04575	0.3
173.87573	0.1
183.04469	0.5
184.05270	0.5
190.98232	0.2
190.99864	2.6
191.05620	0.2
192.70190	0.1
199.03951	0.6
200.04796	1.9
210.03247	0.2
211.03947	1.2
212.04736	0.5
227.03497	2.3
228.04254	2.9
229.04579	0.2
238.02715	0.2
239.03484	1.3
240.04260	7.5
241.04602	0.5
255.02954	2.9
256.03732	1.4
257.04260	0.2
267.02921	0.3
278.06131	0.2
283.02481	3.9
284.03235	87.8
285.03601	6.2
286.03784	0.3
293.08673	0.2
299.05582	100.0
300.05914	7.9
301.06174	0.3
302.06323	0.2
445.63474	0.1
694.35461	0.1
893.33893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.7
63.76545	0.7
69.03465	0.9
69.07251	0.7
71.01376	14.6
72.99301	1.7
73.02946	3.0
73.36089	0.6
78.07126	0.8
78.95872	0.9
79.70190	0.7
83.01365	1.2
85.02939	4.5
87.00870	5.7
89.02441	14.5
95.01411	1.7
97.02940	2.7
98.20654	1.8
101.02441	14.0
109.02964	0.9
113.02449	8.2
116.92845	2.0
119.03451	4.4
125.02424	6.2
125.09698	1.2
127.11282	1.8
143.03510	2.0
161.04575	3.8
171.10251	100.0
172.10609	3.2
179.05602	3.1
199.06114	0.8
209.11835	0.8
209.78517	0.7
217.07164	1.4
221.06673	1.3
229.25180	0.9
235.08165	7.2
253.09195	0.7
259.08139	1.5
277.21692	74.3
277.62054	0.8
278.22006	6.0
287.07657	1.8
304.21054	0.7
305.08798	2.1
323.09680	1.3
379.12363	16.1
397.13458	47.3
398.13800	2.6
415.14548	8.4
416.14984	0.8
426.51932	0.8
452.66589	0.8
461.99744	0.7
551.23462	3.7
569.24475	3.2
657.34943	2.8
675.35559	5.0
722.32306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	2.1
61.99122	0.6
62.29789	0.5
69.03461	1.1
70.38644	1.4
71.01376	15.6
72.99313	0.9
73.02939	2.2
81.03460	1.0
82.44596	0.6
83.01379	2.4
85.02946	3.9
87.00874	4.4
89.02444	12.1
95.01390	1.3
97.02935	2.4
99.00883	0.8
101.02441	12.1
113.02443	8.0
116.92852	1.6
119.03527	3.6
125.02434	6.6
125.09705	1.2
127.11269	2.1
143.03552	3.1
145.04996	0.6
149.98158	0.6
153.09151	0.6
161.04562	4.0
171.10258	100.0
172.10609	4.1
177.94417	0.5
179.05574	3.6
199.06247	0.7
209.11847	1.4
213.11302	1.0
217.07161	1.3
221.06734	1.2
235.08186	5.5
253.09343	0.7
259.08258	1.7
277.21704	60.4
278.22067	4.6
287.07779	2.4
305.08813	2.4
379.12390	15.9
380.12686	1.3
397.13495	45.5
398.13797	2.4
408.03943	0.6
415.14508	7.9
551.23462	5.1
552.23914	0.9
569.24457	5.0
570.24805	0.8
657.34802	1.8
675.35828	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	889.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	8.3
62.91471	0.8
63.37427	0.8
69.03455	1.9
71.01380	65.6
71.54637	1.3
72.99308	6.4
73.02944	7.2
73.26414	1.0
75.00878	1.8
83.01385	6.8
85.02946	19.7
87.00878	10.8
89.02444	52.7
92.91533	1.0
93.03464	1.4
93.12613	1.0
95.01388	5.9
96.96023	1.5
97.02973	1.9
99.00863	5.0
101.02441	34.7
101.03109	1.7
102.02859	0.9
111.00922	1.4
112.01654	1.8
113.02450	30.6
119.03501	20.3
119.04948	1.7
125.02452	3.0
129.01877	1.3
130.99861	2.8
131.03477	2.5
134.03766	1.3
143.03513	3.4
145.03014	1.3
146.16650	0.9
147.04529	1.9
149.02489	1.0
149.04523	2.7
149.06097	1.6
159.04286	1.3
161.02481	2.0
161.04599	8.9
165.09302	1.0
173.04497	2.6
173.09708	1.1
175.03925	2.0
179.05618	12.4
189.12862	9.1
191.05623	1.5
193.04956	1.0
207.13896	2.1
237.68915	1.1
254.04324	2.1
255.02985	1.3
267.07202	2.0
284.03418	4.6
299.05573	5.5
300.02820	1.8
300.05954	1.7
315.05127	1.5
329.06488	1.2
351.10910	2.3
373.22354	7.2
387.20209	16.3
388.20383	1.4
389.21744	1.4
415.23227	1.5
431.19312	1.1
439.19601	1.9
440.20212	1.1
441.21271	100.0
442.21762	9.0
455.19205	91.1
456.19559	7.7
457.20609	3.6
829.42377	26.5
830.42749	5.3
889.41071	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	887.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	0.6
65.00322	1.3
71.01392	1.0
71.14314	0.5
83.01394	1.0
85.02975	0.8
87.00883	0.7
92.95958	0.4
93.03455	0.8
107.01387	2.6
108.02177	1.9
109.02956	0.4
117.03487	2.7
119.05022	0.8
121.02966	1.6
133.02940	0.5
135.00894	1.1
135.04527	0.5
140.46307	0.4
144.35164	0.4
145.02943	6.1
146.03546	0.5
147.04491	0.6
148.01665	1.6
149.02477	0.4
151.00360	7.1
159.71500	0.4
161.02457	0.5
163.00383	1.7
163.04025	0.7
164.01128	1.0
173.04539	1.1
178.99879	3.3
191.03642	0.4
199.03984	0.7
211.03946	1.1
211.07658	0.8
215.03465	0.8
216.04286	0.7
226.02780	1.1
227.03470	5.5
228.03952	1.2
243.02956	11.7
244.03551	1.3
254.02191	2.3
255.02968	33.3
256.03354	4.5
257.03763	0.6
271.02457	59.5
272.02960	5.8
283.02509	0.6
284.03238	7.3
285.03793	4.8
286.03854	1.3
299.02097	2.5
300.02728	100.0
301.03317	13.5
324.09048	0.5
343.04416	0.7
349.09131	0.6
351.10947	1.1
553.00446	0.5
725.18866	1.2
741.06158	0.9
741.18829	13.9
741.32092	0.7
742.19128	1.1
767.16809	0.9
887.22559	40.7
888.22931	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	889.24
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42879	0.9
64.94187	0.8
65.00307	1.0
66.27942	0.8
71.53041	1.6
85.02932	2.9
87.00870	1.5
93.03462	6.5
95.01342	0.9
96.95997	0.9
105.74707	0.8
107.01382	1.0
108.02183	1.6
109.02921	1.5
117.03426	1.4
119.05002	3.9
121.02971	2.1
123.04478	1.8
132.02135	2.4
133.02895	2.3
135.04559	1.0
135.89761	0.9
136.01657	0.9
143.04961	1.5
145.02888	1.9
149.02443	1.0
149.05992	1.2
150.03209	0.9
151.00388	2.2
159.04459	2.2
161.02422	2.6
163.00363	1.8
163.03954	1.2
171.04462	1.2
173.04578	1.7
177.01895	5.9
178.99841	1.2
183.04443	2.8
185.06029	1.3
187.03955	1.2
189.01866	2.4
189.05603	1.2
190.02710	1.7
191.05646	1.2
195.04549	1.3
197.06039	2.7
199.03944	1.6
201.05566	1.7
209.05997	1.6
211.03951	4.2
213.05522	3.4
214.11926	1.1
217.01427	1.0
221.06088	1.0
224.04852	2.2
225.05429	3.2
226.06332	2.1
227.03491	19.8
227.07066	3.4
228.04036	1.3
229.04932	3.3
237.05698	1.1
239.03458	3.6
239.07016	2.2
240.04279	1.4
241.05014	3.7
242.05766	1.0
253.05040	20.9
254.05620	3.2
255.02963	27.8
255.06442	3.3
256.03522	3.2
257.04510	1.3
261.08902	0.9
265.04971	2.5
266.02173	1.0
267.02942	16.2
268.03632	1.9
269.04559	6.7
270.05228	2.5
271.06046	3.0
281.04541	7.8
282.05261	7.1
283.02414	33.2
283.05988	6.3
284.03232	21.9
285.04019	15.1
295.02597	2.0
297.03986	4.0
298.04617	1.8
300.02713	1.2
309.04059	3.0
310.04794	48.0
311.05551	39.1
312.05939	2.3
330.03821	2.4
332.06921	2.4
333.07498	1.2
347.09198	25.2
348.09760	2.9
351.10782	0.9
361.07111	2.5
375.08624	5.7
376.09207	2.3
388.05777	1.2
389.06546	13.3
390.06979	3.1
403.08218	3.6
404.08911	16.9
405.09674	7.3
430.06787	11.6
431.07523	3.7
448.07977	2.3
449.08868	1.3
725.19409	5.2
732.87891	1.2
751.20770	11.1
752.21442	1.8
871.23230	13.2
872.23407	3.2
889.24017	100.0
890.24438	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	887.224
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	1.4
68.94301	0.5
71.01398	1.0
83.01387	1.2
85.02941	1.5
87.00871	1.7
93.03485	1.1
98.20708	0.9
107.01386	2.9
108.02171	1.8
109.02985	0.8
117.03476	3.0
119.05002	1.3
121.02998	1.8
125.02441	0.7
132.39812	0.6
135.00888	1.4
145.02971	6.6
147.04472	1.0
148.01671	1.7
149.02356	0.6
149.06107	0.8
151.00352	7.5
152.01166	0.5
161.02464	0.9
163.00403	1.6
163.03969	1.4
164.01102	0.9
173.04561	1.5
175.03940	0.8
178.99847	3.6
187.03909	0.7
190.02698	0.5
191.03581	0.7
191.05554	1.1
203.03458	0.9
211.03998	0.7
211.07678	0.6
226.02760	1.6
227.03496	5.1
228.04074	1.1
243.02954	12.6
244.03479	1.0
254.02174	2.3
255.02974	31.9
256.03357	4.4
257.03653	0.6
271.02460	60.1
272.02997	5.6
283.02341	1.2
284.03271	7.3
285.03827	3.5
286.03806	1.0
299.01993	2.4
300.02731	100.0
301.03320	13.5
343.04803	0.8
349.09277	1.0
351.10547	1.4
369.12094	0.6
394.75113	0.5
423.62964	0.6
725.19543	1.1
741.18695	14.2
742.18921	1.8
767.16119	0.8
886.74432	1.0
887.22498	38.6
888.22601	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.5
67.01843	0.2
68.99821	0.3
69.03458	1.0
71.01381	15.5
71.05018	0.3
72.01701	0.2
72.99303	1.4
73.02947	2.3
75.00871	0.3
80.02679	1.1
81.03465	2.1
81.70511	0.2
83.01388	1.8
83.05026	4.9
84.02155	0.7
85.02955	3.8
86.00098	0.2
87.00875	3.5
87.04454	0.2
89.02443	11.4
91.03978	0.2
91.91051	0.2
93.03466	0.4
95.01390	1.0
95.05039	1.0
97.02950	2.4
97.06601	0.2
98.20685	0.3
99.00889	1.0
101.02441	12.1
103.04002	0.2
109.02902	0.2
109.06590	0.3
111.00880	0.4
111.04500	0.5
111.08158	0.2
113.02449	6.5
115.04018	0.2
119.03496	3.1
121.02965	0.3
123.00861	0.3
123.04543	0.2
124.01634	0.2
125.02449	5.5
125.06071	0.5
131.03488	0.8
133.05078	0.3
135.08154	0.7
139.04013	0.5
141.01917	0.5
143.03497	2.4
145.05066	0.3
147.11823	0.3
149.04561	0.5
161.04568	2.9
163.11285	3.8
165.12854	2.6
167.03502	0.3
169.05045	0.3
179.05594	3.2
181.04982	0.2
181.12346	0.7
185.04555	0.2
191.10774	1.0
199.06042	0.3
209.11815	100.0
210.12149	4.4
217.07097	0.8
219.05090	0.3
221.06622	1.6
223.13454	0.2
225.11308	0.5
227.12881	12.3
228.13161	0.5
235.08211	4.9
245.06659	0.4
251.12910	0.5
253.09268	0.6
259.08176	0.5
263.07553	0.3
269.06769	0.2
277.21704	46.1
278.22043	3.4
287.07651	1.7
305.08838	1.8
323.09860	1.0
361.11392	0.3
379.12442	6.3
380.12720	0.4
397.13486	33.9
398.13858	2.4
415.14557	8.0
415.18900	0.1
416.14948	0.4
466.79507	0.2
488.59552	0.2
563.33154	0.2
589.24805	0.5
607.25970	1.2
657.34052	0.2
675.35913	0.7
725.22888	0.2
735.27557	0.2
792.48065	0.2
885.47235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2455
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
63.02388	0.9
65.00325	1.0
70.00566	1.2
71.02926	0.3
71.04482	0.3
75.21688	0.3
83.01392	0.7
84.03345	0.3
85.95926	0.3
90.67302	0.3
93.03471	0.6
105.11990	0.3
106.33419	0.3
107.01382	2.9
117.03461	14.9
119.05020	1.5
121.02988	0.4
125.02433	0.3
132.02190	1.3
135.00864	1.2
143.05048	0.5
145.02948	28.5
146.03281	0.9
151.00378	3.5
152.01163	0.4
159.04518	0.6
163.00342	1.2
164.01160	0.8
167.05008	0.4
169.01407	0.4
169.06662	0.3
170.03889	0.3
173.28398	0.3
178.99808	1.7
183.04507	0.9
184.05309	0.3
185.02417	0.3
185.06062	0.6
187.03928	1.0
190.99809	0.4
195.04695	0.4
199.04002	0.6
200.04692	0.7
211.03990	2.1
212.04710	0.3
213.05493	0.4
227.03481	40.6
228.03857	2.4
229.04962	1.7
239.03490	1.3
241.04956	0.8
255.02972	78.2
256.03598	9.0
257.04309	1.8
283.02423	1.6
284.03247	100.0
285.03912	19.7
286.04358	0.7
309.03949	0.4
339.04971	0.5
411.44614	0.3
485.91077	0.4
575.13385	0.4
721.19189	0.9
739.21002	8.1
740.21387	1.0
765.18781	1.1
766.18646	0.5
885.24536	51.0
886.24841	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	885.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	9.6
66.13644	1.0
71.01379	20.5
71.53736	1.2
72.99317	2.0
73.02953	3.2
73.89797	0.9
74.12057	0.8
79.85986	0.9
83.01376	2.4
85.02946	3.5
87.00871	3.5
89.02444	13.4
93.68204	0.9
95.01354	1.9
97.02937	2.8
99.00852	1.3
101.02433	14.7
102.52601	0.9
109.06561	1.0
113.02470	7.4
119.03494	3.0
125.02426	3.9
134.25690	0.8
136.09015	0.9
161.04562	2.0
165.12813	3.5
175.88213	0.9
179.05585	2.3
183.13885	59.9
184.14209	3.0
198.29688	0.8
207.10246	3.7
208.10608	1.7
208.89209	1.0
209.11792	6.5
221.06732	2.2
225.11311	2.1
227.12909	5.1
235.08127	2.7
238.23384	1.0
255.02959	1.9
277.21716	28.3
278.22104	2.8
284.03235	2.1
323.09592	1.3
379.12463	1.9
397.13550	9.2
398.13657	1.2
415.14389	2.0
446.18991	1.0
607.25861	1.8
625.27350	1.4
847.39703	1.2
885.48486	100.0
886.48871	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	885.4844
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98826	41.1
65.19704	0.7
69.03452	1.0
70.04091	3.1
71.01379	17.7
72.99306	1.4
73.02940	2.8
81.03458	0.7
83.01385	2.5
85.02959	4.2
87.00866	2.8
89.02438	12.7
94.26283	0.7
95.01389	1.2
97.02926	2.2
98.20545	0.9
99.00836	1.2
101.02441	10.5
111.08112	1.1
112.98518	0.9
113.02443	6.6
119.03500	2.2
125.02399	3.2
139.10500	0.6
143.03488	0.7
161.04544	2.6
163.11310	1.0
165.12810	4.9
179.05658	1.5
183.13890	40.7
184.14214	1.7
207.10300	2.4
209.11801	2.8
221.06613	2.0
225.11339	1.1
227.12798	2.3
235.08286	1.7
244.25833	0.7
277.21710	45.7
278.22040	4.5
279.23376	0.7
284.03256	2.0
305.08859	0.7
342.53064	0.8
379.12476	1.3
397.13538	9.9
398.13870	1.1
415.14508	2.4
569.14130	0.7
607.26141	1.3
625.26440	1.1
885.48486	100.0
886.48853	20.4
886.65118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.9
64.66051	0.1
68.99821	0.2
69.03454	0.8
71.01379	13.5
71.05021	0.1
72.01697	0.3
72.47530	0.1
72.99299	1.0
73.02943	1.9
75.00864	0.3
78.95901	0.3
80.02680	1.4
81.03453	1.8
83.01380	1.5
83.05020	5.6
84.02168	0.7
85.02943	3.1
87.00348	0.2
87.00874	3.4
89.02441	11.1
93.03467	0.3
95.01374	1.0
95.05016	0.9
97.02941	2.1
97.06590	0.2
99.00880	0.6
99.04516	0.2
101.02435	10.0
102.02763	0.2
107.05035	0.2
109.02933	0.3
109.06602	0.4
111.00889	0.3
111.04528	0.3
111.08166	0.2
113.02444	5.9
115.03996	0.2
119.03491	2.9
121.02930	0.3
123.00883	0.2
124.01617	0.1
125.02444	5.1
125.06075	0.6
125.09701	0.2
127.04028	0.2
131.03519	0.6
133.05043	0.3
134.89458	0.4
135.08163	0.7
139.03976	0.4
139.07649	0.2
141.01913	0.4
143.03497	2.2
147.11794	0.4
149.04518	0.4
152.99644	0.2
153.01962	0.2
153.12970	0.2
161.04547	2.8
162.04890	0.1
163.04030	0.2
163.11284	4.2
164.11591	0.3
165.12836	2.6
167.03467	0.5
167.74467	0.1
179.05602	3.5
181.12343	0.5
185.04541	0.3
191.10805	1.1
197.11693	0.1
199.06102	0.3
207.10283	0.2
209.11809	100.0
210.12151	4.9
217.07088	0.8
221.06628	1.6
225.11240	0.3
226.11421	0.2
227.12881	10.7
228.13188	0.7
233.11841	0.2
235.08206	4.4
245.06744	0.2
251.12869	0.8
253.09137	0.8
259.08243	0.5
259.20819	0.2
263.07715	0.4
269.06665	0.2
277.21701	42.8
278.22052	3.0
287.07697	1.5
305.08749	1.8
323.09821	0.9
361.11426	0.2
379.12408	6.6
380.12711	0.4
397.13470	31.1
398.13873	2.1
412.20120	0.2
415.14539	7.6
416.14896	0.6
497.20276	0.2
589.24762	0.8
607.26068	1.7
608.26105	0.2
646.81342	0.2
662.14240	0.2
675.35846	0.3
725.21423	0.2
885.47375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2454
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
63.02410	0.7
65.00311	0.8
70.72202	0.7
72.10597	0.4
83.01371	0.9
83.85020	0.4
88.62778	0.4
93.03458	0.6
107.01404	2.2
117.03458	14.8
118.03818	0.5
119.05015	1.9
132.02162	1.0
135.00862	0.5
145.02946	27.4
146.03238	0.7
151.00391	4.0
159.04568	0.6
163.00389	1.4
164.01051	0.7
178.99815	1.3
183.04474	1.5
185.02390	0.7
185.06087	0.4
187.03987	0.7
195.04497	0.4
199.03984	0.6
200.04640	0.6
211.03967	1.9
211.07722	0.6
213.05608	1.2
227.03470	39.4
228.03838	2.5
229.05025	1.8
239.03485	1.6
241.04935	0.8
255.02966	75.2
256.03537	9.5
257.04459	2.3
283.02374	2.5
284.03238	100.0
285.03900	20.5
286.04349	1.1
321.15863	0.5
327.05328	0.5
351.10916	0.5
356.12866	0.5
379.67593	0.4
489.30273	0.5
575.13275	0.5
721.19849	0.8
739.20978	8.4
765.19342	1.3
779.19910	0.5
885.24530	52.9
886.24786	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	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	6.9
67.01900	0.5
68.99820	0.4
69.03451	1.9
71.01379	22.3
71.05020	0.5
71.09050	0.8
72.99294	2.0
73.02946	3.2
73.05933	0.4
75.00858	1.0
77.22221	0.4
80.02670	0.9
81.03454	3.1
83.01379	2.9
83.05024	3.3
84.66356	0.4
85.02946	6.0
87.00872	5.6
89.02441	16.6
93.03456	0.5
95.01363	2.3
95.05013	0.9
97.02946	11.5
97.06593	0.6
99.00867	2.7
99.04536	0.5
101.02438	16.2
107.05039	1.6
109.02946	0.8
109.06590	33.1
110.03722	1.8
110.06921	1.0
111.00877	0.7
113.02438	9.8
118.44736	0.4
119.03491	4.7
121.06589	2.4
123.04549	0.7
125.02449	6.0
125.09704	1.2
129.01968	0.7
131.03491	1.5
135.08167	4.0
136.05304	2.6
139.04016	0.9
141.01933	1.4
142.02705	2.3
143.03502	2.6
145.10172	0.8
149.04573	0.5
151.07634	0.4
161.04526	3.7
161.09689	1.5
162.03105	0.4
163.11284	18.7
164.11604	1.0
167.03453	0.5
179.05588	5.5
179.09145	0.4
179.10774	1.1
181.12340	5.1
189.09207	2.2
201.11288	1.5
202.11646	0.6
203.05568	0.4
207.10245	100.0
208.10588	3.9
209.11792	4.7
210.12196	1.1
217.07127	0.8
221.04491	1.5
221.06699	2.4
225.11310	45.2
226.11667	2.2
235.08194	5.2
243.12355	2.0
245.06694	0.5
249.11266	0.5
251.08241	0.5
253.09261	1.5
255.23244	1.4
256.23615	1.0
259.08151	0.5
263.07666	0.4
277.21704	50.3
278.22070	4.2
281.13861	0.6
287.07770	1.3
299.15015	1.5
305.08734	1.7
323.09814	1.1
379.12451	6.4
380.12836	0.8
397.13474	38.8
398.13782	2.8
415.08942	0.7
415.14532	12.6
416.14929	0.8
441.33832	0.8
443.18991	0.7
501.32593	0.5
587.23468	1.6
605.24512	7.3
606.24780	0.7
620.34216	0.5
623.25446	9.1
624.26263	1.3
675.35449	1.0
696.44458	0.5
763.27362	0.6
807.26221	0.5
839.29633	0.5
865.45642	1.6
883.46863	51.6
884.47357	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	883.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	9.0
69.03462	1.5
70.08611	2.3
71.01381	28.7
72.99300	2.6
73.02949	4.6
75.00874	0.9
80.02695	0.6
81.03446	3.1
83.01362	3.4
83.05044	2.9
85.02948	6.3
87.00862	7.0
89.02440	20.6
93.03465	1.3
95.01364	1.8
95.05016	0.6
96.96002	0.6
97.02942	13.8
99.00888	3.5
99.04518	0.6
101.02439	18.1
109.02941	1.0
109.06584	29.6
110.03709	1.2
110.06912	0.8
111.00894	0.9
111.04495	0.8
113.02438	10.8
119.03496	6.4
121.06599	2.0
123.04514	1.4
125.02435	7.2
125.09724	0.9
131.03464	1.0
135.08159	4.4
136.05284	2.8
139.03989	0.8
141.01930	1.8
142.02707	3.2
143.03453	2.6
145.10194	1.4
149.04494	0.7
159.28482	0.6
161.04587	4.6
161.09645	1.8
163.09888	1.0
163.11273	20.2
164.11603	0.9
167.03673	0.6
171.88382	0.5
179.05605	5.3
179.10748	1.3
181.12350	4.0
189.09172	2.3
199.05978	0.8
201.11269	2.6
207.10239	100.0
208.10590	5.0
209.11760	4.4
210.12125	1.6
221.06627	2.6
225.11304	37.3
226.11630	2.1
235.08214	6.6
243.12202	1.3
253.09267	1.8
255.23254	1.3
256.23557	1.3
263.07574	1.1
277.21704	71.0
278.22086	5.6
281.13898	0.9
287.07645	1.6
293.21170	0.5
299.15018	1.0
305.08685	2.2
323.09924	1.5
361.11783	0.8
379.12393	7.8
397.13464	58.4
398.13770	4.8
399.14011	0.8
415.14536	13.6
416.14886	1.1
441.33612	0.8
542.27795	0.6
587.23828	0.7
605.24353	7.3
606.25275	0.9
623.25574	4.4
624.26007	0.7
675.36536	2.0
846.58569	0.7
865.46069	3.0
883.46906	61.4
884.47308	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	881.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.9
68.99811	2.7
69.03416	0.6
70.95975	0.6
70.96317	0.8
71.01378	26.3
72.99304	3.3
73.02932	2.5
75.00871	11.6
75.01259	0.3
83.01387	3.3
85.02943	11.1
87.00870	4.9
89.02439	9.5
93.03455	0.4
95.01383	4.4
96.96000	0.4
97.02950	1.4
99.00877	15.2
101.01801	0.8
101.02441	12.7
112.01686	0.5
113.02446	8.7
115.00355	0.9
119.03477	2.1
131.03481	0.6
139.00374	0.7
147.04498	0.4
148.03073	0.4
157.01418	1.3
161.04558	0.7
284.03198	0.6
439.35657	1.6
465.37314	0.8
611.42700	0.6
633.39386	0.6
701.42975	1.2
805.47388	0.6
881.48987	100.0
882.49292	19.2
898.02466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	2.3
69.03461	4.9
71.01376	12.1
71.05006	1.0
71.54192	0.6
72.99313	1.2
73.02926	2.0
73.03326	0.6
75.27583	0.6
78.95887	1.1
81.03425	1.1
83.01388	2.1
85.02930	3.2
87.00871	2.3
89.02441	8.5
93.84332	0.7
95.01348	0.8
95.05013	0.6
96.34302	0.6
97.02947	2.0
97.06620	0.7
99.00874	1.4
99.30164	0.6
101.02429	8.3
101.62804	0.5
113.02453	3.9
116.92866	1.0
119.03477	2.2
119.94668	1.1
123.08204	0.8
125.02439	2.1
125.09717	1.8
143.03484	0.7
146.80170	0.6
151.11295	1.7
161.04523	1.0
161.09702	3.3
179.10712	3.8
182.12151	0.7
197.11819	32.7
198.12111	1.8
209.11761	0.8
221.06628	1.7
235.08122	1.0
236.41351	0.7
241.10785	2.2
252.05766	0.6
255.23277	42.2
256.23584	2.8
256.63770	0.6
269.11935	0.6
271.55862	0.7
291.19464	0.6
337.13937	0.6
375.16833	0.6
397.13458	1.8
415.14386	0.6
457.65793	0.7
464.84628	0.7
562.04907	0.7
709.23505	0.7
732.14319	0.8
833.49567	0.8
877.47992	100.0
878.48248	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	879.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.0
68.89278	1.1
69.03452	1.4
71.01380	15.0
71.05013	1.5
72.99303	1.4
73.02945	3.9
73.84412	1.2
74.81465	1.1
78.95898	3.8
79.13344	1.2
83.01400	1.3
85.02941	3.9
87.00871	5.5
87.76400	1.2
89.02439	11.3
97.02938	5.8
97.06574	1.8
98.19762	2.2
99.00858	10.9
101.02427	11.3
110.72789	1.3
113.02435	5.3
119.03453	2.5
125.02390	2.6
125.09703	5.1
135.08191	1.4
136.65292	1.2
143.03528	1.3
146.48259	1.2
161.04564	2.3
163.11276	5.7
165.09131	1.2
171.10304	6.8
179.05443	1.4
181.12332	8.6
187.36526	1.3
197.11804	2.2
199.09648	1.8
199.13361	8.3
201.11406	1.6
207.10225	24.4
208.10626	1.3
225.09236	2.5
225.11313	35.7
226.11693	1.4
243.12376	10.1
255.23274	54.8
256.23587	4.4
261.94666	1.3
291.19614	5.2
309.20520	1.6
379.12637	2.5
397.13599	8.5
415.14096	2.1
605.24255	1.6
623.25122	1.8
835.46442	2.8
861.48431	13.8
879.49573	100.0
880.49597	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	866.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
70.59176	0.4
70.59554	0.4
77.75190	0.2
80.96540	0.3
96.85406	0.2
98.20036	0.2
105.76485	0.2
108.89941	0.2
168.30023	0.2
177.25450	0.2
336.16049	0.2
399.42453	0.2
802.61127	0.2
866.50226	0.7
872.38428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	4.3
69.03442	0.8
69.25236	3.2
69.25672	3.8
71.01379	15.7
72.99309	1.0
73.02951	2.5
83.01382	2.3
85.02942	3.8
87.00871	4.4
89.02438	15.1
94.23091	0.8
97.02951	3.5
101.02432	13.8
109.02978	0.8
111.04486	0.9
111.75577	0.8
113.02422	7.6
119.03503	4.7
125.02434	6.8
127.11282	1.9
131.03477	1.5
140.07585	0.8
141.01857	0.9
143.03499	2.1
161.04556	3.7
167.03458	0.9
171.10254	100.0
172.10590	3.8
179.05560	4.0
198.67828	0.8
199.06136	0.8
217.07112	1.2
217.90248	0.8
220.86130	0.8
221.06578	1.1
235.08195	4.5
245.54900	0.8
253.09222	1.4
255.23264	66.6
256.23737	4.2
269.24863	0.9
287.07755	2.7
305.08664	2.1
323.09943	1.5
368.33194	0.8
379.12418	20.5
380.12738	1.5
397.13434	39.3
398.13892	3.1
415.14706	6.3
551.23596	5.4
569.24542	2.8
635.36646	5.2
653.37366	8.6
654.38184	1.2
867.50159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98537	0.2
62.99234	0.1
71.01352	0.1
81.05266	0.1
82.10930	0.1
89.41631	0.1
89.77589	0.1
147.06551	0.1
172.89690	0.1
185.56592	0.1
253.23808	0.1
279.21964	0.1
310.21112	0.1
491.10211	0.1
803.28644	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.4
63.02382	0.4
65.00345	0.5
69.27733	3.3
73.02952	0.7
75.00864	0.6
83.01388	1.1
85.02950	1.7
87.00871	2.1
87.02380	0.4
89.02443	1.4
93.03461	1.6
94.03790	0.4
95.01383	0.7
96.96039	1.0
98.20662	0.8
99.00900	0.7
101.02435	1.0
107.01360	1.8
109.02988	0.5
110.11077	0.4
113.02458	1.0
117.03469	0.5
119.03532	0.5
120.15760	0.4
121.02970	0.9
122.03715	0.6
130.99834	0.5
132.02205	1.6
134.03717	0.9
135.00865	1.1
137.02469	0.8
145.02942	0.6
146.03725	0.4
147.04509	1.9
149.02470	0.8
149.06099	0.5
150.03210	0.6
151.00401	2.8
160.01660	0.8
161.02467	0.7
161.04538	0.5
163.00392	0.8
163.04019	0.9
165.01938	0.4
165.05527	1.1
173.04562	1.0
175.03938	0.7
178.99854	1.1
183.04488	1.5
187.03963	0.8
190.99887	1.3
191.03618	0.4
191.05612	0.8
193.05045	1.1
195.04555	0.5
195.06592	0.9
199.04033	0.6
200.04767	0.8
211.03954	2.0
212.04694	0.6
227.03481	35.6
228.03868	2.6
229.04930	0.8
235.06166	0.7
239.03502	1.5
240.04233	1.9
241.04950	0.7
255.02969	67.5
256.03549	7.2
257.04483	1.5
282.99869	0.5
283.02502	2.4
283.05399	0.5
284.03247	100.0
285.03836	13.6
299.05591	35.1
299.09137	0.6
300.05841	2.6
313.03543	0.5
332.09451	0.4
337.09152	0.9
351.10889	1.3
441.21475	0.5
459.22464	1.4
524.28412	0.5
531.14978	0.5
533.16736	1.4
637.15710	1.3
721.19666	0.8
787.44867	0.5
869.25006	40.6
869.38458	1.4
870.25403	8.7
903.69788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44327	0.7
63.69603	0.7
67.42010	0.7
71.01368	5.7
75.00847	1.2
85.02942	4.5
87.00404	1.3
87.00877	14.0
89.02441	3.0
93.03410	1.4
101.02428	3.0
109.02938	1.1
113.02438	2.4
121.02935	2.7
123.00906	2.8
123.04477	1.2
125.02472	1.2
130.99843	3.0
133.02934	0.9
135.04518	1.3
137.02434	2.8
138.03255	2.6
139.04059	1.3
140.30276	0.8
145.02951	2.7
147.04527	3.4
149.02400	1.4
152.04730	1.1
153.05531	1.1
159.04501	11.6
160.05254	3.2
161.02383	5.9
161.06020	4.4
162.03191	2.2
163.03986	2.9
164.04829	1.2
165.05536	1.2
173.02431	3.0
173.04588	1.7
173.06062	5.0
174.03293	1.1
175.03970	2.6
176.01167	1.0
176.04564	0.7
177.01863	1.8
187.04021	2.2
189.01842	1.1
189.05621	1.1
190.02707	2.2
191.03577	1.7
191.05574	2.4
193.04999	0.9
197.05981	1.0
199.04095	1.4
203.03545	1.8
204.04288	1.1
205.04951	4.5
207.02943	2.5
208.16913	0.8
213.05504	1.6
215.03442	0.9
215.07204	1.0
224.04784	1.4
225.05498	5.8
227.03549	0.9
229.98398	1.3
240.04114	1.0
241.05063	4.5
249.05768	1.7
251.03502	3.1
251.07239	2.2
253.05051	10.0
254.05777	2.2
255.02924	1.3
256.03665	1.1
267.06842	2.1
268.03625	1.8
268.07346	3.5
269.04517	17.7
269.07703	1.3
270.05255	7.1
271.02863	1.6
271.06091	10.5
271.12067	1.2
277.05096	3.4
279.03040	3.6
279.06601	1.5
281.04657	6.8
282.05075	1.0
283.06058	1.6
283.09799	2.3
284.03278	3.5
284.06897	8.0
285.07700	9.1
286.08490	8.7
287.09015	0.9
294.05502	1.1
295.06143	4.6
296.03253	3.1
296.06793	2.1
297.04004	13.3
297.07678	4.4
298.04764	1.4
298.08319	1.8
299.05579	6.2
299.09241	15.0
300.05963	1.2
301.10791	9.0
302.11127	1.1
305.04556	2.3
310.08447	1.2
311.05667	4.6
311.09009	1.5
312.06345	13.3
312.10059	2.8
313.07071	1.8
322.04727	2.2
323.05554	5.2
325.07132	6.5
325.10577	1.3
326.07870	7.9
327.08755	28.8
327.12390	5.2
328.09207	3.1
329.10272	1.3
337.07205	5.3
338.08011	8.0
339.04904	1.6
339.08414	1.3
341.06717	1.0
343.11826	2.4
353.10321	9.7
354.07352	1.9
355.08145	5.3
369.09717	9.5
370.10040	3.8
371.10916	3.7
382.06772	1.2
387.10812	11.2
388.11319	0.9
394.96628	0.9
397.09125	5.9
423.07382	1.1
441.08218	1.8
459.09021	5.2
518.03223	1.0
733.31836	1.2
775.32672	1.4
777.32050	5.4
778.33252	1.1
803.31671	1.1
805.29230	3.0
845.57758	0.9
847.30255	1.4
865.31482	100.0
866.31769	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.6
63.21284	0.2
67.01909	0.2
69.03446	0.9
71.01377	16.4
72.99309	1.3
73.02946	2.1
75.00863	0.4
78.76680	0.2
80.02664	1.2
81.03448	2.0
83.01369	2.1
83.05022	4.6
84.02142	0.8
85.02948	3.7
87.00877	4.0
87.04527	0.3
89.02438	12.5
91.03965	0.3
93.03456	0.3
95.01369	1.2
95.05016	0.8
97.02948	2.8
99.00878	0.9
101.02435	12.3
102.02747	0.3
109.02953	0.4
109.06590	0.3
111.00883	0.4
111.04513	0.4
113.02442	6.6
119.03503	3.5
121.02925	0.3
123.04531	0.2
124.01693	0.2
125.02446	6.0
125.06059	0.5
127.03963	0.3
131.03497	0.4
133.05051	0.4
135.08145	0.5
137.02477	0.3
139.04007	0.6
141.01717	1.0
143.03482	2.3
145.05020	0.4
149.04546	0.4
161.04538	3.6
163.11273	3.5
164.11617	0.2
165.12831	2.6
167.03465	0.4
169.04932	0.2
174.63942	0.2
179.03812	0.3
179.05580	3.5
181.12350	0.5
191.10748	1.0
199.06117	0.6
209.11807	100.0
210.12144	5.2
217.07159	0.7
220.80595	0.2
221.06706	1.1
226.11484	0.2
227.12868	13.3
228.13202	0.8
229.38400	0.3
235.08197	4.7
236.08566	0.3
245.06721	0.4
251.12830	0.5
253.09299	0.6
255.23268	54.4
256.23581	3.8
259.08130	0.6
263.07718	0.5
269.24838	0.5
287.07730	1.7
299.40619	0.2
305.08716	2.3
323.09805	1.1
361.11444	0.5
379.12408	9.1
380.12811	0.4
397.13467	39.2
398.13824	2.8
415.14529	8.4
416.14734	0.6
560.00525	0.2
589.24963	0.7
607.25952	1.1
635.36450	0.6
653.37537	1.8
863.49188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.484
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90738	0.7
61.98816	2.0
69.03429	1.8
69.43069	5.9
71.01379	23.7
72.99300	2.4
73.02952	4.7
78.95887	2.7
80.02676	1.3
81.03436	3.7
83.01379	2.7
83.05006	2.9
83.58881	0.8
85.02950	5.0
87.00864	6.0
89.02439	20.9
93.03471	1.1
95.01354	1.7
97.02934	12.1
99.00867	3.7
101.02429	16.2
109.06586	32.2
110.03706	2.2
110.50014	0.8
113.02438	10.3
119.03493	5.6
121.02909	0.8
121.06621	1.7
125.02430	8.3
131.03447	1.5
134.89462	1.6
135.08141	3.0
136.05276	1.9
139.04044	1.3
141.01974	1.4
142.02711	2.1
143.03473	3.6
161.04549	4.8
161.09697	2.1
163.11282	20.3
179.05569	4.6
179.10765	1.1
181.12268	3.8
189.09167	2.3
207.10243	100.0
208.10593	4.0
209.11769	2.9
221.06721	1.4
225.11299	32.0
226.11679	1.5
235.08217	6.4
243.12190	1.7
255.23270	79.2
256.23587	5.3
259.08572	0.8
281.14072	1.2
287.07629	1.8
299.14828	1.0
305.08694	2.3
323.10007	1.0
379.12436	8.6
397.13470	56.6
398.13828	3.7
401.34039	1.0
415.14618	11.4
419.35410	0.8
515.51605	1.1
587.23431	2.9
605.24420	5.5
623.25702	3.4
635.36456	1.2
653.37610	3.1
806.11041	1.1
843.47430	1.7
861.48431	60.2
862.48584	16.4
862.64026	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	4.0
65.00326	8.5
69.42098	6.2
71.01366	3.4
72.92253	0.7
73.02953	0.9
80.11224	0.8
83.01379	6.6
85.02946	3.1
87.00890	6.1
89.02428	1.8
93.03466	1.6
95.01380	1.8
101.02412	1.8
107.01391	13.6
109.02941	1.2
113.02429	1.8
123.00897	0.8
123.04534	1.4
124.01646	4.0
125.02423	3.3
137.02426	1.4
145.02948	1.2
149.99591	1.6
151.00362	50.6
152.01184	7.6
161.02374	1.1
163.00340	1.1
163.11285	1.7
169.01320	4.6
170.64427	1.0
173.04517	2.7
177.01958	1.2
178.39331	0.9
178.99852	30.6
179.03351	1.4
187.04065	1.2
189.02025	0.8
191.05588	2.2
192.00591	2.1
193.01405	9.0
193.04810	0.9
199.03947	1.5
201.05504	1.7
208.00398	0.8
211.04001	1.7
211.56001	0.8
212.04773	3.6
213.05527	2.5
223.04315	1.5
227.03468	3.0
228.04135	2.5
229.05095	2.1
230.05743	1.3
235.35033	0.8
239.03532	2.1
240.04288	6.0
241.05072	8.7
242.02289	1.3
243.02901	3.8
255.02948	1.6
256.03738	12.2
257.04538	9.9
258.04895	1.1
263.33133	1.0
265.04901	1.0
267.02911	3.7
268.03769	2.1
271.02408	5.9
272.03113	1.0
277.05014	1.0
281.04440	1.5
282.05090	1.8
283.02716	1.7
283.06021	7.0
284.03210	1.8
285.04074	2.7
288.02774	1.2
296.03168	1.6
297.04004	1.7
299.02029	5.1
299.05542	38.5
300.02750	1.3
300.05975	4.1
309.03955	1.2
310.04819	2.3
311.05286	1.2
314.99295	1.0
318.05380	1.3
319.06131	1.3
331.04916	1.1
333.04016	2.6
345.03818	1.7
346.04660	1.9
347.05533	2.3
361.03442	1.2
363.05005	1.6
364.05707	0.9
369.09619	2.7
373.03470	2.3
374.04111	1.0
375.05063	2.0
387.16492	7.0
389.02768	1.2
390.03720	5.5
391.04547	2.6
401.06754	1.4
403.04263	1.2
407.19485	1.0
408.04840	1.0
418.03275	28.3
419.03906	8.2
420.04855	1.0
437.05014	2.5
445.05408	1.9
463.06287	2.9
481.07556	2.6
546.40802	1.0
623.16370	1.1
713.13788	2.7
731.14606	100.0
732.15015	16.1
749.14154	1.2
757.15717	2.8
758.17242	1.5
775.17212	41.6
776.17432	8.4
837.17059	0.8
863.16479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	1.5
64.00483	0.5
68.66602	0.4
69.03455	1.1
69.30148	0.5
71.01379	20.1
71.52473	1.1
72.99294	1.4
73.02937	3.1
78.95898	0.7
83.01390	1.7
85.02942	3.2
87.00872	3.1
89.02442	16.1
95.01375	1.4
97.02947	2.6
99.00867	1.3
101.02441	13.6
111.08118	1.1
113.02454	5.8
116.92884	0.5
119.03503	3.6
121.03003	0.5
125.02459	3.4
125.03284	0.6
131.03539	0.6
141.93083	0.5
143.03494	1.7
161.04532	1.3
165.12802	5.5
176.54773	0.5
179.05563	1.3
183.13882	41.9
184.14198	2.2
209.11804	1.5
221.06688	1.9
227.12872	2.2
230.30826	0.6
235.08191	2.2
255.23268	59.6
256.23679	4.7
283.26355	0.5
379.12317	1.1
397.13470	5.3
415.14514	1.8
551.80005	0.6
800.41907	0.5
863.50024	100.0
864.50433	23.0
871.81531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98538	0.2
69.86761	0.1
69.93222	0.6
73.29416	0.1
80.59587	0.1
88.42848	0.1
98.20609	0.1
129.03130	0.1
176.31476	0.1
195.73494	0.1
204.51247	0.1
250.89612	0.1
310.66263	0.1
368.08865	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.23
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.8
63.02393	0.8
65.00328	1.1
71.54031	0.4
73.02944	0.4
75.00881	0.4
83.01399	0.9
85.02962	2.6
87.00877	2.4
89.02447	0.4
93.03442	3.6
97.56831	0.3
101.02469	0.7
107.01393	2.6
108.02170	0.9
109.02952	0.7
111.00821	0.3
113.02464	0.5
117.03447	0.7
119.05008	1.0
120.02273	0.3
121.02995	1.1
123.04541	0.6
125.02466	0.7
130.99837	0.5
132.02165	1.5
133.02917	0.7
135.00851	1.2
135.04500	0.7
137.02409	2.2
145.02946	3.5
146.03685	1.0
147.03430	0.5
147.04501	3.1
149.02396	0.7
149.06068	2.5
151.00357	4.4
152.01155	0.9
159.04480	0.6
161.02530	0.7
161.06039	0.4
163.00320	1.2
163.04030	1.7
164.01132	0.5
164.04808	1.3
165.02072	0.3
165.05638	0.4
169.06572	0.4
171.04500	0.3
173.04555	1.1
175.04013	1.1
178.99831	1.3
183.04433	1.5
185.06009	0.5
187.03984	0.7
188.04982	0.3
189.05428	0.4
190.02710	0.6
190.99992	0.3
191.01974	0.9
191.05638	0.8
193.05037	1.7
199.03984	0.6
200.04762	0.7
205.05069	1.0
211.03998	2.9
212.04721	0.5
213.01825	0.4
213.66273	0.3
214.02574	0.4
219.02917	2.0
227.03477	41.7
228.03831	2.6
229.04982	1.3
239.03435	1.4
240.04120	0.4
243.10321	0.4
255.02969	81.5
256.03598	11.6
257.04355	1.8
269.04480	0.5
271.02396	0.5
281.04346	0.4
283.02524	2.1
283.09613	0.6
284.03241	100.0
285.03885	20.0
286.04391	0.9
300.02594	0.6
307.27676	0.3
323.05441	0.4
327.05057	0.5
339.04840	0.4
349.09320	1.1
367.10422	2.1
721.19482	0.7
725.19470	0.5
739.20618	0.7
841.18451	0.7
859.22833	47.8
860.22998	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	859.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.7
69.03450	0.7
71.01372	2.1
72.99293	0.5
73.02942	2.1
75.00854	1.2
78.95930	0.4
85.02941	1.5
87.00338	0.8
87.00874	15.9
89.02451	0.5
89.43460	0.4
93.03451	0.8
97.06571	2.4
98.19765	0.7
99.00862	0.6
101.02444	3.7
110.00095	0.7
112.20690	0.4
113.02456	1.4
119.04961	0.5
125.02439	0.4
130.99861	3.1
134.15532	0.4
135.04594	0.5
139.00336	0.5
143.05080	0.6
145.02972	1.0
145.06592	1.3
146.03679	1.0
147.04497	1.6
147.08102	0.8
149.06023	0.9
155.03569	0.5
156.05832	0.6
158.03723	1.6
159.04460	1.6
160.05321	0.5
161.02505	0.5
161.06062	0.5
162.49561	0.4
163.17154	0.4
165.04033	0.9
165.99065	1.8
171.04504	1.0
171.08147	1.6
172.05334	2.2
172.09033	0.5
173.02426	0.5
173.06062	13.0
174.03242	1.1
174.06795	3.3
175.03925	0.8
175.07588	3.0
181.01456	0.8
185.06105	1.0
186.06734	1.8
187.03952	1.2
187.07631	3.9
188.04759	1.6
189.05559	1.9
189.07617	0.4
189.09192	2.6
190.02737	0.4
191.03526	0.9
193.05058	0.4
196.05276	1.4
197.06088	0.7
198.03230	1.8
199.04016	1.1
199.07632	5.9
199.11119	0.5
200.04758	1.7
200.08394	2.0
201.05519	1.6
201.09171	4.2
202.06346	2.6
203.07114	2.8
203.10793	0.5
210.06854	0.9
211.07573	0.6
212.04782	0.9
213.05571	0.7
213.09099	0.5
214.06400	3.8
215.07141	7.4
215.10777	1.2
216.07758	1.6
217.08659	5.6
218.09456	6.0
219.09825	0.6
223.07629	0.5
224.08455	0.8
225.09196	4.3
226.09830	1.3
227.07104	6.3
228.07898	2.1
229.08684	3.9
241.08795	0.7
242.09398	0.4
243.06633	3.2
243.10229	6.0
244.10889	1.6
245.08228	1.7
245.11794	0.5
255.02840	0.4
259.09763	0.5
260.10400	0.4
271.05988	0.4
271.13455	0.8
284.03378	0.9
287.09396	0.7
288.10074	0.6
297.15167	0.5
299.05627	1.2
313.03690	0.5
313.14407	2.0
323.16724	0.5
324.02817	2.2
325.14389	3.9
339.05069	2.7
341.13821	2.8
343.15430	1.4
350.10065	1.6
369.13406	2.8
385.16595	1.8
386.39258	0.4
387.14426	0.7
402.16599	0.5
403.17529	1.0
411.10822	11.6
412.11063	1.8
429.15457	3.7
430.15735	0.8
445.14859	0.7
446.15466	1.8
447.16550	100.0
448.16861	11.6
694.06287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
70.83785	1.1
70.84144	1.7
71.01387	4.0
73.02948	1.1
83.01418	1.1
85.02950	3.6
87.00874	10.0
89.02460	1.3
93.03451	1.3
95.01392	1.2
101.02448	2.3
113.02451	1.3
117.03448	0.9
117.13195	0.6
121.02953	1.7
123.00903	2.0
124.01666	1.1
125.02408	1.1
130.03786	0.7
135.04538	0.8
137.02435	1.8
138.03210	2.6
146.03787	0.8
147.04494	2.9
153.05484	0.9
159.04509	11.5
160.05235	2.2
161.02432	5.0
161.06078	5.4
162.03226	1.6
163.03970	2.7
164.04697	0.9
173.02469	3.4
173.04706	1.4
173.06067	4.3
174.03183	1.4
175.03954	1.7
187.04001	2.2
188.01189	1.0
189.01961	1.3
189.05554	1.6
190.02614	1.3
191.05563	0.9
197.06073	1.0
199.04082	1.4
203.03482	2.1
204.04338	1.0
205.05067	2.2
207.02971	2.3
217.04988	1.1
225.05540	5.2
227.03476	1.1
228.04475	1.0
239.07076	0.9
241.05074	5.4
251.03505	3.5
251.07051	2.2
252.04140	1.2
253.05055	9.0
254.05835	1.9
255.03012	1.3
255.06544	1.2
256.03711	1.2
267.06635	2.0
268.03711	1.0
268.07413	2.8
269.04526	20.0
269.07813	1.5
270.05228	6.6
271.06131	10.5
272.06769	1.4
277.05133	4.1
279.02960	3.7
279.06485	2.0
280.03735	1.1
281.04495	8.1
284.03305	2.7
284.06866	9.5
285.07666	4.2
286.08459	8.9
294.05338	1.6
295.06183	4.0
296.03210	2.1
296.06842	2.6
297.04025	12.9
297.07626	4.7
299.05563	3.4
299.09216	12.2
300.09717	1.1
301.10767	7.5
305.04333	1.6
307.05844	0.9
309.07379	1.2
310.08356	2.1
311.05548	4.7
311.08932	1.5
312.06354	12.0
312.10025	4.3
313.06961	1.8
322.04745	2.6
322.08438	0.8
323.05515	5.7
325.07141	5.9
325.10751	1.8
326.07907	6.6
327.08801	26.1
327.12415	4.6
328.09073	3.7
329.10425	1.4
337.07080	4.1
338.07916	6.5
340.05789	1.6
343.11902	1.3
353.10269	9.7
354.07291	1.3
355.08389	3.9
369.09818	5.8
370.10049	1.0
371.11374	2.8
387.10855	2.8
397.09436	3.8
399.06662	1.0
441.08636	1.9
459.09326	4.3
598.38721	0.9
696.21277	0.9
719.32623	1.9
747.31964	1.6
773.28876	1.0
789.33679	1.0
791.31250	1.6
792.31140	1.0
851.33417	100.0
852.33759	22.0
852.46906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.6
69.36384	6.2
69.36733	1.0
71.01381	3.8
73.02931	1.3
83.01394	1.0
85.02949	4.3
87.00876	8.0
89.02400	0.8
93.03472	0.8
99.00891	1.4
101.02451	2.0
113.02402	1.3
121.02941	1.4
123.00851	2.7
125.02407	0.9
132.52385	0.7
137.02390	1.7
138.03210	3.0
139.04001	1.0
145.02940	2.5
145.06555	0.9
146.03702	0.8
147.04539	3.9
149.02512	1.2
151.03938	1.0
152.04660	0.8
153.05591	1.4
159.04509	12.9
160.05237	2.4
161.02431	4.9
161.06087	4.9
162.03168	2.3
163.04008	2.9
165.05504	0.9
173.02451	4.2
173.04575	1.5
173.05974	5.1
174.03188	1.5
175.03984	2.0
187.04027	1.7
188.01204	1.3
189.01947	1.5
191.03578	1.3
199.04039	1.1
203.03415	0.8
204.04242	1.2
205.05013	1.9
207.03003	1.7
213.05524	1.5
223.07782	0.8
225.05589	6.4
241.04988	4.9
242.05693	1.0
249.05385	1.2
251.03442	2.9
251.07179	1.7
252.03864	0.8
253.05008	10.8
254.06078	1.8
265.04849	1.1
267.06549	1.7
268.04044	1.1
268.07269	3.4
269.04541	22.3
269.07669	1.7
270.05270	7.2
271.06073	11.2
272.06616	1.2
277.04977	4.7
279.02997	2.8
279.06412	1.7
280.03751	0.9
281.04486	7.1
282.05142	1.8
283.06223	1.2
284.06927	9.7
285.07715	6.5
286.08432	8.4
287.08987	1.4
293.04608	1.8
294.05310	1.5
295.05994	4.4
296.03232	2.0
296.06726	1.5
297.03983	13.9
297.07587	4.5
298.04477	1.4
299.09201	14.3
300.09589	1.3
301.10788	7.9
305.04575	2.6
310.08215	0.9
311.05753	4.6
311.08948	1.3
312.06348	10.0
312.10080	3.0
313.06998	1.6
322.04749	3.1
323.05566	7.9
324.05923	1.0
325.07126	4.6
325.10565	1.3
326.07870	7.0
327.08783	27.8
327.12369	6.1
328.09213	4.2
328.12619	1.0
337.07144	4.1
338.07907	5.8
339.04849	1.6
339.08636	1.1
340.05759	2.0
343.11844	1.8
353.10287	11.0
354.07352	1.7
355.08151	4.7
369.09741	6.9
371.11459	3.9
387.10803	2.9
397.09277	5.2
415.10178	1.1
441.08249	2.3
459.09033	6.4
717.31110	2.7
745.30676	2.0
759.31146	0.9
789.29761	1.6
849.31812	100.0
850.32208	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	849.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.6
61.98799	2.5
67.01876	1.2
69.38707	4.5
69.39130	4.7
71.01374	8.5
73.02946	2.4
81.03426	1.4
83.01363	1.5
85.02933	9.9
87.00866	14.4
89.02469	1.4
93.03439	5.6
95.01338	1.3
101.02426	4.0
113.02416	3.5
117.03365	1.3
117.25952	1.1
121.02974	2.3
121.15661	1.1
122.03827	1.2
123.00868	3.0
123.04507	2.7
124.01621	1.8
126.03504	1.3
135.04547	2.1
137.02405	1.5
137.09727	1.3
138.03223	2.8
139.03995	1.7
145.02916	2.8
146.03691	2.4
147.02924	1.5
147.04492	4.7
149.02396	3.7
149.06042	2.2
152.01114	1.6
153.05539	2.1
159.04498	10.5
160.05153	2.4
161.02434	8.7
161.05949	3.1
162.03192	1.7
163.03961	3.9
164.04820	1.5
165.05493	1.9
169.30434	1.2
173.02423	3.7
173.04523	6.3
173.06055	5.0
174.03123	2.0
175.03972	5.1
181.59920	1.3
187.04031	3.3
188.04651	1.6
189.01913	2.2
189.05551	3.3
190.02612	3.0
191.01939	3.0
191.03625	1.6
191.05559	2.0
193.01361	1.4
195.63489	1.2
197.05957	1.3
199.03989	1.2
203.03445	4.0
205.05006	3.3
207.02879	1.4
208.03711	1.7
209.02913	1.7
209.06042	1.7
213.05353	1.3
214.06332	2.1
215.03410	3.0
223.06050	3.8
223.07886	2.2
225.05502	6.6
228.04076	1.4
240.04184	2.0
241.04953	6.3
242.05519	1.4
243.10208	3.5
249.05614	3.5
251.07048	1.5
252.04211	1.5
253.05092	9.2
254.05692	3.0
255.02969	3.0
265.05020	2.7
267.06491	1.6
268.03671	4.3
268.07288	1.9
269.04526	20.7
269.07718	1.7
270.05161	7.1
271.06128	10.0
272.06668	1.5
277.05008	6.2
278.05719	1.6
279.02942	7.5
279.06131	1.7
280.03787	2.4
281.04630	7.7
281.07660	1.3
282.05157	1.3
283.02570	2.6
283.06061	4.9
284.03351	4.1
284.06827	11.7
285.07559	5.4
286.08450	9.1
287.08798	1.6
293.04413	3.4
294.05280	3.2
295.06104	6.6
296.03241	16.6
296.06540	2.5
297.04074	15.1
297.07568	3.3
298.04462	1.8
298.08408	2.8
299.05551	5.4
299.09189	13.0
301.10806	6.1
305.04459	2.8
309.07520	1.5
310.08331	2.1
311.05609	27.9
311.09091	2.7
312.06320	15.9
312.09869	2.4
313.06857	2.6
321.03873	2.4
322.04724	3.5
323.05579	8.2
324.02170	1.4
324.06137	1.4
325.07120	7.8
325.10706	2.4
326.07892	39.6
326.11661	2.5
327.08698	32.4
327.12335	5.1
328.09271	3.0
331.08319	1.7
337.07114	4.0
338.07956	7.1
339.05145	7.6
341.10205	4.0
343.11914	3.2
353.10236	10.9
354.07309	15.8
354.10712	1.5
355.08051	3.6
369.09738	84.9
370.09863	7.8
371.10959	2.9
387.10947	11.1
388.11017	1.5
397.09204	5.2
428.85205	1.3
441.07983	2.6
459.09250	5.2
461.10483	2.0
717.31116	2.9
745.30475	1.7
761.33765	56.2
762.34308	13.3
789.30426	2.4
792.93408	1.7
849.31732	100.0
850.32080	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	849.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.3
60.64361	0.5
61.98811	1.6
62.49498	0.6
71.01380	5.6
72.99284	1.0
73.02948	1.5
73.55609	0.5
75.00880	0.5
83.01368	1.1
85.02947	3.8
87.00873	16.9
89.02441	1.4
93.03435	1.2
95.01363	0.8
98.19888	1.7
99.00816	0.5
101.02431	2.6
106.36565	0.6
109.02912	0.9
113.02428	2.1
115.90046	0.6
117.03468	0.8
121.02964	4.2
123.00837	1.1
123.04536	1.5
124.01653	1.1
125.02402	1.1
130.99866	5.1
133.02968	0.6
134.97762	0.6
135.04497	0.9
137.02412	2.1
138.03226	2.9
139.03973	0.9
143.05000	0.6
145.02956	2.9
146.03682	0.9
147.00803	0.6
147.04552	3.6
148.01654	0.8
149.02444	1.0
149.06099	0.8
150.03230	0.9
151.04033	1.0
152.01131	1.1
153.05598	0.8
159.04506	7.9
160.05219	1.9
161.02440	5.7
161.06050	2.7
162.03166	1.8
163.03963	2.5
164.04778	0.8
165.01927	1.8
165.05516	1.4
166.02545	0.6
173.02487	3.2
173.04628	0.9
173.06021	4.5
174.03146	1.2
175.00375	1.0
175.03996	1.7
177.01889	0.8
177.05484	0.7
180.04251	1.3
187.03972	1.6
188.01112	0.6
189.01895	0.9
189.05490	1.0
190.02669	5.1
191.03391	1.0
197.06036	1.0
203.03471	1.6
204.04216	0.9
205.05060	7.6
205.58276	0.6
207.02969	1.3
213.05544	1.1
217.05022	0.7
225.05554	4.8
225.07570	1.1
227.03482	0.7
227.07155	0.7
228.04137	0.6
241.05008	4.0
249.05452	0.9
251.03514	2.7
251.07138	1.9
252.04111	1.4
253.05063	9.5
254.04065	0.8
254.05942	0.8
255.03032	1.5
267.06586	1.6
268.03772	1.1
268.07480	2.7
269.04529	19.6
269.07895	1.9
270.05206	6.6
271.06116	9.2
272.06473	1.1
277.05026	4.6
279.02979	2.5
279.06610	1.8
280.03781	0.8
281.04556	6.5
282.05069	1.4
283.06229	0.9
283.09732	3.3
284.03488	1.2
284.06839	8.4
285.07654	4.5
286.08453	8.2
293.04565	0.8
294.05310	1.7
295.06067	3.2
296.03131	1.9
296.06793	1.5
297.04001	10.7
297.07587	2.7
298.04449	0.9
298.07983	0.6
299.05969	0.6
299.09186	11.6
300.09818	1.5
301.10800	7.3
305.04517	2.2
308.44153	0.6
309.07675	0.7
311.05597	3.6
311.08853	1.1
312.06363	9.9
312.09927	2.8
313.06964	2.4
322.04807	2.1
323.05548	5.4
325.07111	4.6
325.10629	1.2
326.07977	5.6
327.08762	22.1
327.12332	4.6
328.09268	2.7
329.10333	0.9
331.08307	0.9
337.07205	4.8
338.07910	6.4
339.05057	1.4
340.05740	1.0
341.10373	1.0
343.11865	0.9
353.10263	8.0
354.07281	1.7
354.11020	0.8
355.08246	4.4
369.09763	5.5
370.10162	0.8
371.11307	2.1
382.07129	0.7
387.10828	3.2
397.09207	6.6
398.09375	1.0
399.07065	0.7
415.10495	0.8
441.08102	2.0
457.31476	0.6
459.09189	5.2
553.18457	0.6
717.30951	2.0
759.32025	1.0
787.31818	1.1
788.31024	0.7
789.29694	2.6
790.30927	0.8
849.31787	100.0
850.32098	24.9
850.48767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
64.05776	0.7
65.00308	1.8
75.44080	0.6
85.02937	1.6
87.00334	0.7
87.00870	13.4
89.88567	0.6
93.03432	2.7
99.00877	1.3
109.02943	5.0
111.00859	1.1
119.05006	0.9
120.66650	0.6
121.02948	6.4
123.00849	2.3
124.01643	2.1
125.02387	0.7
134.03712	2.2
135.04501	0.9
137.02457	2.9
138.12369	0.6
139.03937	1.2
147.04456	0.8
148.01640	1.2
149.02379	2.1
151.00369	1.1
159.04480	2.0
160.05273	1.4
161.02390	2.3
162.03181	1.3
163.04004	5.0
173.05920	0.8
174.03152	1.1
175.03952	0.9
183.04445	1.6
184.05272	0.7
185.02341	0.6
185.06017	2.5
187.03995	4.8
189.01930	1.7
189.05473	2.0
191.05490	0.9
193.05008	2.2
197.06046	0.9
198.03188	0.7
199.03975	1.4
201.05495	0.9
202.02759	1.1
203.03313	1.2
205.04979	2.4
211.03957	2.4
212.04700	1.4
213.01891	1.0
213.05516	3.5
214.02733	1.5
215.03499	2.4
216.04126	1.5
221.04541	1.0
223.04333	1.1
226.02702	1.1
227.03456	5.4
227.07068	0.8
228.04250	4.1
229.01434	0.8
229.05023	7.6
230.02063	1.4
230.05637	0.8
231.02960	1.1
239.03362	1.3
240.04250	1.1
241.05000	2.6
242.02158	3.8
243.02863	4.2
244.03722	3.6
245.04378	1.0
251.03461	0.8
252.04173	0.8
253.04991	2.7
254.02101	1.7
254.05736	1.8
255.02937	6.6
255.06664	2.9
256.00140	1.5
256.03687	2.6
257.00894	4.6
257.04480	4.6
258.01575	3.7
258.04630	0.7
259.02429	1.9
267.02856	3.0
269.00836	3.2
269.04388	1.9
270.01703	0.8
271.02475	8.3
271.05685	1.3
272.03214	4.5
273.04031	12.5
279.02985	1.1
280.03662	1.3
281.04514	4.4
282.01538	0.7
283.02490	2.7
283.05832	1.0
285.04092	2.0
286.04379	0.8
293.04556	1.4
295.02490	0.8
297.03983	1.9
298.04825	2.0
299.02249	0.9
299.05521	3.8
300.02628	1.5
301.03442	5.7
307.02499	1.3
309.04184	1.4
311.05362	1.3
313.03433	1.6
319.06027	1.1
324.02762	0.9
325.03464	1.9
326.04276	1.1
327.05099	0.9
331.06033	0.8
333.03989	0.7
335.05637	1.0
343.04248	1.4
347.05405	1.9
349.07138	3.2
350.07709	0.8
359.05609	0.7
361.07410	0.7
365.06659	7.0
366.07111	0.9
367.10263	1.1
375.05008	5.3
376.05881	1.4
377.06741	3.2
379.04242	0.9
390.03531	0.8
393.06180	13.0
394.06802	3.0
404.05054	1.9
405.05972	3.4
406.03070	1.1
407.04056	2.7
418.03000	2.9
419.03760	2.9
421.05493	4.6
422.06412	64.1
423.07068	21.3
424.07544	2.1
430.06842	1.3
431.07623	3.2
433.05173	0.7
448.07971	7.5
449.09033	3.4
450.05530	1.8
451.06091	0.8
464.07510	4.6
465.08075	2.5
474.05768	2.7
475.06247	1.0
492.07224	0.7
495.06174	0.8
519.05682	1.2
555.07782	5.8
556.07935	0.9
717.16254	3.4
718.17285	0.7
759.17627	1.9
787.17944	2.9
788.17328	1.0
789.15167	9.5
790.15570	2.1
813.15424	4.4
814.15344	1.1
831.15686	1.2
849.17230	100.0
850.17633	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.7
59.73333	0.7
61.98807	2.5
69.23201	5.1
69.23607	2.1
71.01382	7.0
73.02932	2.5
82.92234	0.7
83.01380	1.9
85.02948	4.6
87.00877	72.4
88.01187	1.0
88.07796	0.8
89.02419	3.2
93.03464	4.6
95.01384	1.1
95.05044	0.8
96.96002	0.8
97.04278	0.8
101.02437	4.5
103.05539	1.2
108.02173	2.9
109.02937	1.2
113.02427	2.1
116.92796	1.4
117.03429	0.9
119.01350	1.7
119.04977	1.1
121.02953	20.8
123.04544	4.4
130.99858	22.0
131.04980	0.9
133.02974	1.3
135.04480	0.9
137.02419	3.4
145.02933	2.3
147.00835	2.3
147.04486	3.9
149.02470	4.0
149.06064	1.2
150.03110	2.2
151.00313	1.6
151.03973	2.1
161.02419	1.7
161.99550	0.9
163.04001	2.1
164.04774	2.7
165.01932	13.0
165.05579	5.0
166.02667	3.0
175.00362	8.9
175.03973	1.2
176.01170	3.7
177.01884	1.3
179.03482	2.3
179.07138	1.4
180.04295	7.8
181.05009	2.9
189.12865	1.6
190.02713	32.4
190.99841	1.8
191.03528	7.9
191.05278	1.3
192.04182	0.9
195.06613	11.1
197.06070	2.7
205.05055	50.1
206.05412	1.8
210.05379	1.3
217.01447	0.8
223.07669	1.6
225.05519	4.1
225.07655	12.7
237.05600	1.0
241.04872	1.1
251.07056	2.6
253.02907	1.2
253.05144	16.1
254.04218	8.8
256.07623	1.1
267.06567	2.3
268.04700	0.8
268.07333	4.4
269.04443	1.9
271.09766	0.9
273.56802	0.9
277.04938	1.0
279.06631	3.0
283.06595	1.6
283.09741	25.2
284.03186	2.1
284.06937	1.1
284.10022	2.4
295.05969	0.9
296.06467	0.8
297.04028	5.2
298.04520	1.1
299.05582	1.9
299.09094	1.6
300.06381	1.1
300.41269	0.8
309.11584	1.5
310.08337	1.2
312.06433	7.2
323.05566	4.5
325.10962	1.3
327.08701	5.7
337.07098	1.3
338.07910	4.1
339.05060	1.9
351.10950	1.4
351.32236	1.0
353.10217	1.2
354.07346	1.9
355.08102	2.5
367.04507	1.3
369.09528	6.9
371.11496	1.7
382.06833	2.6
397.09390	12.1
398.09836	1.2
399.07065	3.3
407.65686	0.9
417.15427	3.4
423.07132	1.5
459.09311	15.7
460.09494	1.8
506.42358	0.9
539.68982	1.0
593.26154	1.7
643.23914	2.0
787.28027	1.2
847.30200	100.0
848.30585	24.9
850.70020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.3
67.46680	0.5
69.36028	1.2
69.36431	4.0
71.01369	4.7
73.02946	0.8
85.02927	1.4
86.09468	0.7
87.00876	8.1
89.02445	2.0
98.20687	1.3
101.02426	2.1
113.02413	1.1
121.02946	1.8
123.00882	2.2
130.99881	1.0
133.94624	0.7
135.04547	0.8
135.52899	0.7
137.02437	1.5
138.03227	3.0
145.02971	1.0
146.03673	1.1
147.04465	3.1
153.05554	1.1
159.04497	10.3
160.05255	2.6
161.02419	4.5
161.06055	4.1
162.03180	1.5
163.03979	2.6
173.02400	2.5
173.06050	2.7
174.03117	1.0
175.04013	1.5
175.30350	0.6
187.03978	1.6
189.01979	0.8
189.12796	1.1
190.02728	0.8
191.03371	1.0
197.06006	0.7
199.04074	1.4
203.03513	1.8
204.04320	1.0
205.05067	1.3
207.02954	2.6
213.05583	1.0
215.07187	1.0
225.05553	5.8
227.03615	0.9
239.07091	1.3
240.04329	0.8
240.90230	0.7
241.05147	4.2
249.05536	1.6
251.03554	3.9
251.06976	1.8
252.04169	0.7
253.05043	7.1
254.05652	2.4
255.03033	1.1
267.06497	1.8
268.03693	1.3
268.07397	2.8
269.04544	19.5
269.07538	1.0
270.05222	6.9
271.06091	9.5
272.06720	1.6
277.04977	4.5
279.02972	3.0
279.06497	1.4
280.03613	1.1
281.04611	7.5
282.05057	1.7
283.06119	1.6
284.06836	7.8
285.07660	6.8
286.08441	10.1
287.08841	1.3
294.05151	1.6
295.05939	4.6
296.03192	2.8
296.06747	1.7
297.03983	14.0
297.07611	4.5
298.04678	0.7
298.08392	1.3
299.09262	11.9
300.09515	1.2
301.10815	6.9
302.11063	1.1
305.04538	2.1
309.07446	1.0
310.08188	1.1
311.05597	4.5
311.09253	1.8
312.06305	10.2
312.10068	3.0
313.06912	2.1
322.04810	2.2
323.05566	4.7
325.07074	4.7
325.10547	1.0
326.07996	7.7
327.08777	28.3
327.12366	6.0
328.09134	3.0
329.10062	1.2
337.07254	4.6
338.07916	5.8
339.04987	1.4
340.05618	1.4
341.10144	0.7
343.11783	2.0
351.08881	1.6
353.10242	8.9
354.07239	1.0
355.08191	4.5
356.08514	1.1
369.09662	7.2
370.10107	2.2
371.11124	4.9
387.10843	5.6
397.09332	4.4
415.10236	1.0
441.08160	2.3
459.09256	5.0
715.29572	2.3
743.29901	1.2
757.30530	1.0
759.31445	2.0
785.11127	0.7
785.30438	1.5
787.28149	2.6
811.28656	0.9
847.30219	100.0
848.30646	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.7
59.01377	26.9
61.98811	1.7
69.03430	1.1
71.01384	7.8
73.02956	1.3
74.79642	1.1
75.00825	1.1
85.02944	7.1
87.00879	15.0
89.02438	5.0
93.03442	2.8
94.21474	1.1
95.01360	1.8
97.06557	1.6
98.19855	2.1
99.00846	1.5
101.02422	5.5
113.02418	3.4
119.03477	1.9
121.02953	5.5
122.03758	2.1
123.00864	2.4
123.04491	2.3
124.01700	1.4
125.02415	1.8
130.99884	1.9
133.02930	1.3
134.03716	4.8
135.04498	2.4
137.02429	4.0
138.03192	5.3
139.03917	1.4
145.02928	4.2
147.04527	8.4
149.02409	1.7
149.06067	3.1
150.03151	3.5
151.00366	1.6
153.05566	1.7
153.98990	1.2
159.04507	15.4
160.05247	3.3
161.02432	6.4
161.06038	7.2
162.03174	4.6
163.03955	4.4
163.11340	1.8
164.04749	1.8
165.05486	3.4
167.84717	1.0
173.02438	3.2
173.04593	2.2
173.06059	5.8
174.03069	2.0
175.04018	6.0
177.01979	2.5
187.03912	4.0
188.01096	1.8
188.04675	1.6
189.01944	1.7
189.05556	1.6
190.02615	2.0
191.01872	1.7
191.03468	2.8
191.05560	2.4
193.05087	6.3
197.06010	1.7
199.04051	1.4
203.03542	2.2
204.04274	2.3
205.05042	2.7
207.10199	4.2
215.03246	1.4
217.08717	4.4
225.05603	6.5
227.03456	4.4
229.04611	1.2
241.04950	3.7
243.06531	1.7
249.05589	1.9
251.03477	3.2
251.07080	2.4
253.05119	9.6
254.05626	3.6
255.03029	5.5
256.03348	2.6
261.11340	1.2
265.04980	1.7
267.06677	2.6
268.03769	2.3
268.07254	2.6
269.04538	19.4
270.05182	9.3
271.06073	15.2
277.04929	5.2
278.05457	2.3
279.03030	3.6
279.06631	2.6
280.03665	1.3
281.04556	7.6
283.05920	2.3
284.03183	6.3
284.06830	10.2
285.03723	5.7
285.07608	10.0
286.03922	1.8
286.08463	11.3
287.08975	1.6
293.04376	2.3
294.05325	2.4
295.06253	6.1
296.03214	3.5
296.06839	3.2
297.03976	14.2
297.07645	5.3
298.08521	1.6
299.05917	2.0
299.09125	12.9
300.02643	1.6
301.10815	11.3
305.04483	2.4
309.07632	2.0
311.05719	8.1
311.08856	2.2
312.06308	14.6
312.10007	4.7
313.06815	3.7
313.19611	1.4
322.04971	2.4
323.05563	5.9
325.07126	8.9
325.10666	2.6
326.07913	14.1
327.08765	36.0
327.12323	6.8
328.09189	4.5
329.06482	1.3
329.10165	2.6
337.07129	6.7
338.07944	8.8
339.04840	2.3
340.05615	2.2
341.10263	2.7
343.11740	3.8
353.10217	9.7
354.07169	2.3
355.08157	4.7
369.09268	11.0
370.10239	2.4
371.11469	5.6
387.10760	14.3
387.16550	8.2
389.12247	1.4
397.09158	9.5
399.07043	2.0
415.10278	2.4
423.06650	1.3
441.08325	2.6
459.09216	8.0
477.09756	1.3
636.58405	1.2
659.85339	1.4
757.28210	2.8
759.30817	3.6
787.25311	3.6
811.24249	3.4
812.25360	1.4
829.25793	1.7
847.28125	100.0
848.27979	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
61.98817	2.0
67.01884	0.9
69.03467	0.7
69.19881	6.0
71.01385	3.7
72.99281	1.0
73.02932	1.8
75.00842	0.6
78.95914	0.7
81.03448	2.4
83.05023	3.9
85.02937	4.5
87.00880	3.9
89.02435	1.7
93.03453	13.1
95.01385	0.8
96.96006	1.8
98.71542	0.6
99.00867	1.2
99.04541	0.7
101.02422	1.6
102.13676	0.6
108.02175	1.1
109.02942	1.2
111.04519	8.9
113.02470	1.4
113.08705	0.6
119.04967	1.1
121.02941	2.4
123.04488	0.7
125.02460	0.9
127.03965	1.2
129.01952	0.9
132.02170	6.7
134.03654	0.9
135.00894	0.9
135.04485	0.6
137.02423	2.0
145.02998	1.4
146.03677	0.9
147.04515	3.3
148.05289	2.2
149.04462	0.7
149.06009	1.1
151.00320	1.0
155.03485	10.4
160.01653	0.8
163.00319	2.8
163.07655	0.8
165.05478	0.6
171.04510	0.7
173.04536	29.7
174.03255	1.0
174.04846	0.8
175.04027	1.1
176.04677	0.7
180.04361	0.7
184.05222	0.7
190.99860	17.3
191.03537	1.9
191.05591	13.1
191.07146	2.1
192.00160	0.6
192.04202	0.9
193.04979	1.7
195.04485	0.9
200.04768	0.7
207.08208	1.3
209.06030	0.9
210.03271	0.7
211.03996	1.5
211.07629	1.2
212.04674	0.9
215.03522	0.8
220.03613	0.8
221.06026	1.5
222.06711	0.8
223.07629	2.1
225.05606	0.9
227.03461	2.4
228.04250	1.2
235.05876	1.2
235.07884	1.1
237.05565	1.6
239.03378	2.0
239.07123	5.7
240.04242	6.7
241.04630	0.8
249.05547	2.8
250.06322	4.1
251.07089	9.8
254.05783	1.3
255.03012	4.1
256.03659	2.2
262.06339	1.8
263.07019	4.2
264.07889	3.4
265.04919	0.9
265.08582	1.7
266.05771	0.7
266.09360	1.2
267.03140	2.4
267.06577	27.2
267.09491	1.3
268.06891	2.7
269.08121	1.9
277.08484	1.3
278.06268	0.9
278.09271	1.2
279.06592	20.5
280.06839	1.2
282.08954	23.1
283.02460	12.9
283.09299	1.3
284.03235	74.9
285.03552	5.1
293.05099	0.8
293.08124	3.6
294.05319	4.9
294.08939	12.8
295.06113	4.0
295.09088	1.2
297.11301	41.1
298.11575	3.7
299.05573	100.0
300.05908	7.6
307.06165	1.7
308.06705	1.0
309.07654	6.6
309.11301	28.8
310.08151	2.1
310.11673	3.4
313.03702	0.6
314.04221	2.2
318.78799	0.6
321.07785	0.9
322.08493	5.1
323.05560	8.7
323.08987	1.3
326.07944	3.6
327.08551	0.6
327.12354	1.1
329.06662	1.1
337.07150	1.9
338.07974	11.2
339.08282	0.9
341.10251	40.8
342.10547	3.9
353.10266	56.1
354.10590	4.0
371.11273	20.3
372.11624	1.8
515.15460	6.1
516.15723	0.8
527.16028	0.9
545.16541	28.3
546.17322	3.9
755.58514	0.7
845.23022	1.3
845.41925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
60.15139	0.3
61.98826	0.4
65.32333	0.3
68.99807	0.4
71.01384	1.2
73.02938	0.4
75.00872	0.4
79.05449	0.3
81.02967	0.3
81.03461	0.3
83.05030	0.5
85.02946	1.0
87.00877	12.7
89.02477	0.4
91.05546	0.4
93.03470	2.6
95.05050	0.3
96.58890	0.3
97.06588	9.5
98.06921	0.5
99.00893	0.3
100.85743	0.3
103.05527	0.3
105.03481	0.6
107.05027	4.4
108.02154	0.6
111.04533	1.3
112.05309	2.3
113.02451	0.8
119.05035	1.5
121.02958	39.0
122.02492	0.3
122.03807	5.7
123.04552	2.6
129.01982	0.3
130.99849	1.5
135.04527	1.7
137.02448	2.0
139.04002	0.7
143.05019	0.3
145.03008	0.6
146.03755	0.6
147.04524	13.3
148.05325	2.6
149.02406	1.4
149.06090	1.7
150.03232	1.9
154.02776	0.4
161.02399	0.6
163.03998	9.9
164.04794	4.6
165.01952	0.5
165.05556	3.1
175.07619	0.5
190.02696	0.5
191.01913	0.3
191.03525	4.9
191.05409	0.5
192.04265	3.4
193.05023	2.0
194.02219	0.5
195.06638	0.3
201.09230	1.9
205.05052	1.0
218.22935	0.3
219.10323	2.0
253.05183	0.4
254.04347	1.0
255.03101	0.4
261.11221	0.8
269.04520	0.4
271.02487	0.9
283.09521	0.5
284.21060	0.4
289.10818	0.9
291.08765	1.4
300.02783	2.6
307.11801	0.4
309.09787	7.4
315.05035	1.7
323.05557	0.5
327.08514	0.4
351.10883	5.2
369.11884	100.0
370.12219	8.5
383.13248	0.4
397.09235	0.5
459.09537	0.5
477.10245	1.9
847.27405	5.3
848.28796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
60.94987	0.4
61.98829	0.7
63.02413	0.8
65.00353	1.9
69.03471	0.6
69.96907	1.5
72.99343	0.7
73.02969	0.7
78.16463	0.5
82.78633	0.5
83.01420	1.0
85.02945	2.3
87.00863	4.0
87.01279	0.5
88.98830	1.8
89.02486	1.6
91.54383	0.4
93.03452	4.5
95.01397	0.6
96.96005	0.6
99.00851	0.7
101.02485	1.1
107.01411	2.5
109.03008	1.0
113.02467	1.1
113.85339	0.4
119.05049	1.2
121.02967	1.1
123.04486	0.7
125.02434	0.9
132.02211	1.5
134.03719	0.6
135.00945	1.5
135.04570	0.8
137.02457	5.2
137.70612	0.5
145.02980	1.9
146.03777	1.1
147.04541	2.1
149.02451	0.6
149.06119	0.5
151.00363	4.9
159.04521	1.1
160.01588	0.6
161.02411	1.3
163.00362	1.3
163.04033	1.5
164.01176	0.9
164.94612	0.5
165.01938	0.5
165.05545	0.9
173.04556	2.1
173.05949	0.7
175.04088	1.1
178.99889	1.3
180.04332	0.6
182.02231	0.5
183.04507	1.1
185.06039	0.7
187.04034	1.7
189.01820	0.9
189.05539	0.9
190.02592	0.6
191.03641	0.7
191.05627	1.2
193.05150	0.9
195.04590	0.8
195.06535	0.7
199.03922	0.8
200.04788	0.9
203.07014	0.7
207.02867	0.6
211.04024	2.8
212.04741	0.7
213.05605	0.7
215.03453	1.0
221.15475	0.5
222.82220	0.5
227.03485	42.0
228.03798	2.6
229.04985	2.8
239.03447	1.5
240.04221	0.8
241.04965	0.8
243.10350	0.7
249.05820	0.6
253.05067	0.7
255.02966	79.4
256.03610	12.3
257.04468	2.8
268.03619	1.0
277.05060	0.8
279.02841	0.7
281.04572	0.7
283.02444	2.0
283.05746	0.8
284.03241	100.0
285.03894	24.2
286.04413	1.5
295.06036	0.7
296.03058	2.2
297.03961	1.4
299.05600	2.4
300.02789	0.6
311.05615	3.3
312.06177	0.6
323.05591	0.9
326.07925	4.1
327.04947	1.2
327.08557	0.7
337.07196	0.7
338.07886	1.2
339.04971	1.4
343.11810	0.9
354.07330	2.0
363.10840	1.0
367.10223	2.0
369.09702	10.4
370.10046	1.2
397.09076	0.6
429.12076	0.9
463.10284	1.3
599.15771	0.8
707.18280	3.9
708.17694	1.2
725.19226	4.4
726.19415	0.8
757.28979	5.2
758.29266	1.2
845.21100	48.2
846.21619	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	843.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
63.96230	1.7
64.15555	0.6
69.03454	0.8
69.64173	4.0
71.01381	8.5
72.99358	0.8
73.02947	2.1
77.87036	0.7
78.95905	5.6
78.98590	6.5
79.95730	17.4
80.96513	100.0
81.03450	1.2
81.95306	0.8
82.96100	2.8
84.02587	0.6
85.02940	4.9
87.00873	3.3
94.98081	22.8
96.96001	2.2
97.02940	2.1
98.20625	1.3
99.00858	1.5
99.70889	0.7
101.02448	2.6
106.98094	3.7
122.97593	4.6
124.50450	0.8
125.02431	4.1
127.03970	0.9
134.97575	7.2
136.99168	1.7
147.30563	0.7
148.99142	7.9
152.98611	6.7
152.99646	0.9
164.98640	14.5
165.00027	1.1
178.07310	0.7
178.33000	0.8
182.69160	0.8
188.98645	0.9
206.99640	2.7
225.00700	18.7
226.04317	0.8
277.21704	1.1
282.36685	0.7
283.04898	1.1
283.26453	2.1
559.26154	1.2
565.30365	1.5
636.42279	1.0
683.96301	0.9
843.52863	96.5
844.53229	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	845.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.7
61.98834	0.6
63.02405	0.5
65.00345	1.4
71.54053	0.7
73.02954	1.1
83.01395	1.1
85.02971	1.6
87.00869	3.3
89.02422	1.5
91.05550	1.5
93.03464	3.3
95.01389	1.0
96.20370	0.5
96.95976	0.6
99.00887	0.7
101.02485	1.4
107.01392	2.4
109.02979	0.6
109.28503	0.5
111.00890	1.2
113.02426	0.5
117.03469	1.5
119.05021	5.4
121.02911	0.7
122.02485	0.5
123.04510	1.5
125.02443	1.4
130.99854	0.7
131.03473	0.6
132.02158	1.2
135.00868	0.9
135.04546	1.0
137.02454	3.5
137.06020	2.4
145.02946	3.2
146.03784	0.4
147.04489	1.5
149.06140	1.2
150.03214	0.9
151.00377	4.1
152.01064	0.7
156.05922	0.5
159.04482	1.1
161.02469	2.4
163.00317	1.2
163.04008	4.5
164.01175	0.8
165.01707	0.5
165.05428	0.9
173.04562	1.3
174.03183	0.6
178.99873	1.1
181.05159	0.9
183.04518	1.3
187.03972	1.0
189.01909	2.8
189.05553	0.8
190.02702	0.5
191.03549	0.8
191.05641	1.4
193.05110	0.9
199.03990	0.9
200.04800	0.7
205.05103	0.8
207.03012	1.4
211.03960	2.5
212.04630	0.8
215.03496	1.1
227.03474	36.4
228.03877	3.3
229.05038	1.6
232.91783	0.5
239.03566	0.9
240.04156	1.7
241.04999	0.8
255.02954	69.7
256.03528	11.7
257.04517	2.7
268.03720	0.7
283.02463	2.7
283.05643	0.8
284.03238	100.0
285.03860	23.8
286.04492	1.3
296.03299	1.0
299.05609	12.8
300.05945	1.0
311.05615	2.1
320.01022	0.6
326.07913	3.2
327.05136	0.7
327.08533	1.3
339.05112	0.7
354.07312	1.8
369.09680	8.4
397.09229	0.7
456.83142	0.5
459.09409	0.5
501.12576	0.8
545.11121	1.1
545.95105	0.5
707.18201	1.4
725.19916	2.5
726.19037	0.5
757.30652	3.9
758.30774	1.3
845.21130	42.1
846.21564	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	833.5184
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01379	3.2
59.20357	2.8
67.19382	2.4
70.71726	5.6
70.72057	2.6
78.95899	77.2
80.96498	6.0
82.89681	2.8
85.57292	2.4
96.71659	2.8
96.96970	18.9
126.36102	2.6
128.35460	2.4
138.98492	2.3
152.56807	2.2
152.99594	19.9
161.66841	2.5
223.00139	5.0
241.01173	29.6
245.63272	3.4
255.23273	46.6
256.23590	4.9
259.02182	4.1
277.21759	14.8
279.23309	38.9
280.23572	3.2
297.04062	2.8
391.22433	4.1
553.27411	4.1
833.51654	100.0
834.51929	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	835.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.6
69.65330	6.3
71.01365	2.6
78.20776	1.2
85.02962	1.7
87.00883	12.8
93.03482	2.1
98.19962	1.3
101.02444	1.2
108.02205	2.3
117.03475	1.6
120.71279	1.1
121.02947	3.5
123.00973	1.9
123.04528	1.5
124.01628	1.9
130.99802	1.6
132.55716	1.1
135.04503	3.6
137.02458	3.6
138.03207	4.4
139.04063	1.2
143.51361	1.1
145.02963	8.2
146.03694	2.1
147.04503	6.1
153.05455	2.0
159.04495	15.3
160.05283	3.3
161.02425	13.2
161.06076	6.1
162.03200	8.5
163.03986	5.3
173.02437	2.8
173.04521	11.5
173.06046	5.3
174.03143	2.0
175.04013	2.0
177.05574	2.1
180.04276	2.4
183.60524	1.4
187.04005	2.5
189.01880	2.4
195.06555	1.9
199.03925	1.4
203.03435	1.3
204.04184	2.1
205.05121	2.1
207.02928	2.0
213.05524	2.1
225.05562	6.4
241.05026	3.4
243.06589	1.5
251.03433	3.0
251.07169	2.0
252.04250	1.9
253.04997	11.7
267.06662	1.6
269.04523	14.3
270.05270	10.1
271.06061	10.9
277.05057	4.7
279.02982	5.0
279.06375	2.6
280.03629	1.8
281.04532	5.1
282.05319	2.3
284.06870	6.0
285.07690	10.1
286.08493	8.9
287.08850	2.3
294.05435	1.9
295.05975	4.5
296.03256	3.3
296.06674	1.7
297.03979	11.0
297.07617	5.2
298.08322	5.2
299.09235	10.8
301.10907	8.9
305.04495	2.3
307.06268	1.3
311.05707	5.8
311.08899	1.5
312.06354	10.3
312.10040	4.3
322.04791	3.2
323.05618	5.8
324.06018	1.5
325.07355	6.8
325.10590	2.3
326.07825	8.2
327.08691	29.6
327.12369	8.9
328.09192	3.4
330.78644	1.2
337.07162	4.3
338.07816	6.8
343.11740	3.4
353.10223	11.1
354.07217	1.4
355.08200	3.9
369.09863	6.1
371.11392	4.5
387.10840	21.6
388.11371	1.7
397.09183	7.4
399.07199	1.7
415.10333	4.0
417.11942	2.3
441.08145	4.0
453.17773	5.3
459.09280	5.9
649.75836	1.4
713.21460	1.3
775.20984	5.9
799.20819	2.1
817.20844	1.4
823.76221	1.3
835.23029	100.0
836.23334	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
60.01693	0.3
61.98829	100.0
68.38734	0.2
68.81622	0.3
68.99821	0.5
71.01381	7.5
71.54337	0.6
72.48338	0.3
72.99325	0.9
73.02954	0.8
74.08024	0.3
75.00870	4.0
80.96520	0.9
83.01382	1.1
85.02954	3.9
87.00404	0.3
87.00856	1.4
89.02443	3.7
95.01376	1.4
99.00878	3.8
101.02438	4.6
113.02454	3.1
116.92877	0.8
119.03494	0.9
139.00420	0.4
141.48537	0.3
157.01445	0.6
165.99057	0.8
191.29701	0.3
248.85458	0.3
263.18509	0.3
279.59891	0.3
302.41171	0.3
439.35736	1.2
440.35440	0.3
509.40027	1.4
710.81226	0.3
779.45862	55.2
780.46210	11.7
810.33868	1.8
843.52258	0.9
855.55475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
62.38062	0.1
62.98525	0.2
62.99249	0.1
71.32941	0.2
80.96486	0.1
86.42180	0.1
170.24127	0.1
219.46138	0.1
402.19394	0.1
598.18683	0.1
671.52899	0.1
782.59326	0.1
837.50665	0.1
837.67957	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91366	20.6
68.98698	19.1
70.19447	81.3
71.86538	21.4
78.95900	36.0
80.96513	37.8
217.13902	22.2
224.11523	18.8
264.46182	21.9
277.21704	81.8
309.20715	47.5
352.59564	22.2
385.07669	23.8
595.36658	20.9
841.49426	100.0
842.49683	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50274	0.1
59.01377	1.4
61.98817	0.3
63.99006	0.1
65.00329	0.2
70.44233	0.3
70.44599	0.3
72.85212	0.2
73.02928	0.2
85.02926	0.5
87.00845	0.6
89.02436	0.4
93.03453	0.4
96.96003	0.3
99.00834	0.2
101.02425	0.4
108.02174	0.2
113.02486	0.4
119.03459	0.2
119.04995	0.2
121.02938	0.5
122.03728	0.4
123.04516	0.2
125.02486	0.2
132.02158	0.8
133.02942	0.7
134.03719	0.9
146.03705	0.2
147.04520	0.5
149.02463	1.0
149.06029	0.5
150.03221	2.8
155.04927	0.2
160.01613	1.6
160.89604	0.2
161.04547	0.2
163.00342	0.4
163.03992	0.2
165.05554	2.3
173.04515	0.2
175.03970	1.8
176.04697	0.3
178.02655	0.2
180.04300	0.2
183.04489	0.5
184.05263	0.4
190.99863	2.5
191.03609	0.2
191.07095	0.4
193.05031	1.3
195.06577	1.4
199.03941	0.7
200.04787	1.6
210.03255	0.2
211.04037	0.9
212.04739	0.4
227.03481	2.1
228.04224	2.4
235.06119	2.5
236.06482	0.2
238.02701	0.2
239.03520	1.3
240.04259	6.6
241.04613	0.6
255.02956	2.6
255.06665	0.2
256.03708	1.2
266.02155	0.3
267.07068	0.2
268.03613	0.2
283.02463	4.2
284.03235	84.1
285.03589	6.7
295.08163	0.2
297.03958	0.2
298.04901	0.5
299.05576	100.0
300.05936	7.7
313.07224	0.6
337.09296	3.6
338.09656	0.3
341.06601	0.2
341.10349	0.8
351.10840	0.4
383.11209	0.2
389.12427	0.3
431.13480	0.7
441.21371	0.4
459.22244	0.4
533.16449	1.4
637.15533	1.2
638.15820	0.2
691.16962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.19575	0.4
65.35019	0.5
71.01385	2.7
71.53511	0.6
72.99281	0.7
73.02913	0.6
79.06001	0.4
85.02949	2.8
87.00870	1.8
89.02428	1.3
92.01141	0.5
93.03455	1.4
95.01385	0.6
96.96017	1.4
97.02909	0.5
101.02433	1.0
105.89376	0.4
108.02164	0.8
108.22429	0.4
111.00851	0.5
113.02451	1.4
117.03458	1.7
119.03496	1.0
119.05010	1.0
120.06435	0.5
121.02942	1.1
123.00836	0.9
123.04460	0.6
124.01652	0.6
125.02436	1.3
133.02971	1.1
135.04553	1.2
137.02429	1.1
139.04056	0.7
145.02962	4.3
146.03731	1.7
147.04510	2.0
149.02415	1.0
149.06078	0.6
150.03212	0.6
150.29399	0.4
159.04576	1.0
161.02451	5.4
162.03215	3.4
163.04004	2.9
165.05569	0.9
171.04756	0.4
173.02449	1.0
173.04468	2.1
174.03186	0.5
175.03949	2.7
176.04724	0.8
177.05569	0.9
179.07101	0.6
180.04254	1.8
185.14696	0.5
187.04025	1.1
188.04750	1.9
189.01944	0.5
189.05524	2.8
190.02631	0.8
191.01917	0.8
191.05594	1.3
193.05061	0.8
195.06609	1.4
199.03893	0.6
203.03522	1.0
205.05098	0.9
209.03017	1.1
215.03534	1.7
223.04573	0.6
224.04700	0.8
225.05576	1.0
227.03485	0.6
240.04317	1.2
241.04933	0.6
250.02702	1.5
251.03497	1.3
252.04288	0.6
253.05077	1.1
255.06618	0.5
265.05002	1.6
267.02917	1.5
267.06671	0.8
268.03711	3.7
269.04453	3.9
270.01520	0.4
270.05081	2.6
271.06058	1.0
277.05002	1.0
278.02478	1.0
279.02982	5.1
280.03708	1.2
281.04535	1.4
283.06134	3.4
284.06873	2.1
285.07526	1.1
293.04510	2.3
295.02768	0.8
295.05795	2.1
296.03268	12.2
296.06686	0.5
297.03925	3.6
298.08459	1.0
299.09213	1.6
309.07523	0.6
310.08508	1.1
311.05591	23.7
312.06183	4.8
313.07175	0.9
321.03894	1.1
323.05542	1.7
325.07025	1.3
325.10687	0.6
326.07925	32.9
327.08563	10.3
328.09344	2.0
339.05002	5.5
340.05237	1.0
341.10297	2.3
342.11035	2.5
342.84760	0.5
343.11902	5.2
354.07425	13.8
355.07748	1.8
357.12210	0.8
368.09241	1.3
369.09756	100.0
370.10126	10.7
383.11200	3.2
387.10858	0.9
429.11884	10.4
430.12204	1.1
459.12976	6.0
460.13406	0.7
489.13965	8.1
490.14157	0.7
490.21939	0.5
494.10806	0.5
530.49683	0.5
549.15649	0.5
564.64923	0.5
570.05792	0.5
601.00525	0.6
643.03290	0.5
727.22382	20.6
728.22693	4.6
745.23541	7.7
745.35834	0.7
746.24573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
62.96409	0.5
68.10116	0.3
70.56837	0.9
71.01382	1.2
78.95901	79.6
79.95728	2.8
80.96511	7.0
85.02979	0.3
87.00854	1.0
94.98074	1.4
96.96958	17.7
98.28783	0.3
122.97561	0.9
125.02437	0.4
134.97572	0.5
134.98509	0.7
135.79050	0.3
150.98050	0.4
152.99583	21.8
164.98625	0.8
171.00581	0.5
174.88879	0.3
222.27687	0.4
223.00124	6.8
225.00761	1.1
241.01181	32.3
242.01369	0.9
255.23282	57.3
256.23578	4.4
259.02155	2.2
277.21707	36.9
278.22070	3.1
297.03647	1.6
315.04962	0.8
391.22507	6.5
409.23285	0.6
413.20901	1.0
553.27844	5.1
554.27374	0.7
571.28906	0.6
575.25854	1.1
749.50903	0.4
831.50183	100.0
832.50494	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.24396	0.3
65.00311	0.6
71.01379	15.6
71.09790	0.4
77.03970	0.5
83.01390	0.4
83.31886	0.4
85.02967	0.7
87.00874	0.4
93.03428	0.8
94.10439	0.4
98.20741	0.9
101.64085	0.4
107.01382	0.9
108.02177	0.9
115.00369	7.8
121.02947	100.0
122.03262	2.9
125.02451	0.5
147.04524	0.8
148.01620	0.6
148.27238	0.5
149.06102	1.5
150.01831	0.3
151.00356	3.7
163.00281	0.5
175.03992	0.6
178.99858	1.9
187.04001	0.4
193.05067	0.7
194.49117	0.3
205.03513	0.7
209.02991	0.3
211.03795	0.5
217.08583	0.5
219.02791	0.4
226.02611	0.7
227.03442	1.2
237.04013	13.7
238.04362	0.8
243.02974	5.0
243.10234	1.1
244.03491	0.7
246.08969	0.4
254.02176	1.2
255.02954	15.0
256.03378	1.2
263.12039	0.4
271.02460	28.4
272.02972	2.8
299.01901	1.5
300.02719	68.6
301.03326	8.5
311.05472	0.9
326.07922	1.2
354.07407	0.7
369.09793	3.5
370.09827	0.5
383.27194	0.4
394.67801	0.4
595.12982	74.8
596.13312	10.2
670.41943	0.4
727.22180	0.7
748.28583	0.5
758.24048	0.4
831.61871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.2
69.03453	1.4
69.38943	9.5
71.01395	7.0
72.99319	1.9
73.02939	2.2
81.03442	2.0
83.01400	2.6
85.02969	6.3
87.00857	3.4
87.01333	1.3
89.02457	2.0
90.44106	1.2
93.03445	7.6
93.21988	1.4
95.01389	2.8
99.00887	1.6
101.02449	4.9
109.02934	3.1
113.02435	2.2
119.05030	3.5
121.02945	3.3
123.00869	2.7
124.01648	1.8
125.02455	3.0
129.01909	1.4
129.03491	1.6
131.05017	1.8
134.03752	1.8
137.02438	4.2
138.03207	3.2
143.05022	1.3
145.02962	3.5
146.03804	1.9
147.04518	28.2
147.05667	2.1
148.01601	2.2
148.05261	1.8
149.02388	2.5
149.06073	14.2
150.03239	1.5
153.05594	3.1
158.03773	1.4
159.04501	18.8
160.05235	1.9
161.02417	3.4
161.06050	1.7
162.03046	1.5
163.04022	4.6
165.05511	10.5
171.04659	1.6
172.05237	2.2
173.02440	7.0
173.04536	7.4
173.06075	15.4
175.03972	2.2
175.44839	1.6
177.05499	1.6
186.03178	1.4
187.04007	9.7
189.01964	1.5
189.05573	1.8
190.02737	1.2
191.03494	4.3
191.05484	2.8
193.05063	5.4
199.03978	5.7
205.03470	2.5
207.06503	6.7
208.03748	1.6
211.07628	2.0
217.01530	6.7
217.04980	2.1
219.02994	2.6
223.04408	2.3
223.07774	2.3
225.05643	1.3
227.03455	1.9
230.02057	1.9
237.04007	8.2
239.07175	5.2
240.07552	1.4
248.04800	1.4
249.05507	12.1
250.06198	1.9
251.07144	6.8
253.05196	2.5
255.03012	2.2
256.03293	1.8
261.05579	1.9
263.03516	1.4
264.04150	1.4
267.06656	6.8
268.03876	1.4
277.05029	38.7
278.05652	8.0
279.06589	12.0
280.03781	2.8
280.07275	1.4
281.04456	4.5
284.03308	2.7
293.04425	5.3
293.07404	1.3
294.05292	11.2
295.06033	23.4
296.06610	6.7
297.04327	1.5
297.07462	6.2
300.02744	1.7
301.03506	1.2
305.04477	17.8
306.05176	6.3
307.06168	4.1
308.06464	1.4
309.07654	2.4
310.05231	2.0
310.08353	9.5
311.09131	3.6
312.06470	2.3
312.10101	4.2
320.06885	2.5
321.04172	2.7
321.07632	2.3
322.04770	20.3
322.08481	4.8
323.05569	45.1
323.08847	1.7
324.05927	4.8
325.10861	9.3
327.12372	3.4
336.06049	1.6
337.07162	43.6
338.07901	56.3
339.08301	4.7
351.08578	7.0
353.10272	89.4
354.10574	8.5
357.15521	2.6
367.04797	2.1
377.16156	1.3
382.06927	3.6
397.09268	19.4
398.09747	2.4
423.07224	3.6
579.13959	2.3
668.61475	1.4
715.61603	1.3
743.33038	16.8
744.32831	4.1
787.17041	1.6
787.31702	33.0
787.45074	2.4
788.32050	9.6
813.30188	6.8
814.29639	2.9
831.30902	100.0
832.31305	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.7
61.98826	12.4
62.52991	0.7
68.55349	0.9
69.03475	1.0
69.28381	1.8
69.28787	5.6
71.01393	4.3
72.14407	0.7
72.99299	0.7
73.02941	1.6
83.01398	0.8
84.68828	0.9
85.02946	4.6
87.00883	5.7
89.02448	2.2
93.03453	20.3
94.03805	0.9
95.01346	1.7
96.96018	1.3
99.00884	1.8
101.02447	2.7
109.02918	1.6
113.02440	2.4
115.00388	0.8
117.01839	0.8
119.04999	1.4
121.02951	10.2
122.03746	17.1
124.01610	0.8
125.02430	1.2
133.02962	2.2
134.03746	1.8
135.04497	4.2
136.01653	15.1
137.02444	35.5
138.02754	1.2
145.02893	2.9
146.03729	1.1
147.02972	0.7
147.04491	4.9
149.02420	22.2
149.06056	2.4
150.03220	100.0
151.00343	3.4
151.04016	15.5
152.01083	1.4
161.02379	1.4
161.04510	1.2
162.03189	1.2
163.03983	3.1
163.63271	0.8
164.04768	6.2
165.05562	98.4
166.02719	11.2
166.05801	4.6
168.90399	0.7
173.04561	2.6
175.02531	1.3
175.03975	3.8
177.05524	1.8
180.04285	7.5
181.05064	12.7
182.05377	1.0
189.05536	2.0
190.02686	1.5
190.06339	3.0
191.03532	1.8
191.05553	3.2
192.04269	1.0
193.05115	1.5
195.06615	75.6
196.06985	3.7
205.05074	1.5
205.08809	0.7
221.08130	1.2
223.04588	1.1
255.02924	1.4
267.06921	1.5
271.02426	1.3
271.05438	0.9
279.06802	1.4
282.05130	1.2
284.03326	3.9
299.02505	0.8
299.05560	3.4
328.89880	0.8
329.10211	0.9
333.09756	1.0
337.07166	1.6
342.10956	1.3
351.10703	1.8
357.09601	2.3
357.13425	7.0
369.09528	1.3
372.11887	1.6
386.13928	1.3
387.14481	33.2
388.14673	3.4
397.09335	3.9
505.18604	1.3
535.19714	25.3
535.27911	1.3
536.19873	3.2
553.20972	1.6
565.20770	1.3
573.19653	0.9
582.11676	0.8
583.21759	31.2
584.21991	6.3
605.46649	1.0
831.28998	6.8
832.29150	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.4
61.98826	12.8
63.68442	0.8
69.03455	1.2
69.18266	9.2
71.01385	9.2
72.99299	1.2
73.02941	3.4
73.75346	0.9
74.19509	0.8
75.00864	2.3
83.01369	2.2
85.02946	7.7
87.00880	8.5
89.02436	3.2
93.03452	22.8
95.01351	1.3
96.95989	2.5
99.00888	1.4
101.02442	4.3
107.05006	0.9
108.02214	1.1
109.02949	2.3
113.01722	0.9
113.02424	4.0
115.00384	1.5
117.03416	1.7
119.05022	2.7
119.70499	1.0
121.02953	13.2
121.56077	0.9
122.03748	17.3
123.00835	1.2
123.04527	2.3
125.02438	3.7
129.01939	1.9
133.02966	2.9
134.03740	2.8
135.04553	4.7
136.01660	14.1
137.02444	35.0
138.03075	1.0
143.06256	1.0
145.02919	3.0
147.04541	6.1
149.02429	25.0
149.05998	3.1
150.03220	100.0
151.00348	3.4
151.04025	19.5
152.01108	1.3
153.05553	1.1
159.04507	1.8
160.01636	1.6
161.02429	3.3
161.04584	2.5
161.06038	1.4
162.03171	1.0
163.03954	2.8
164.04816	4.8
165.05557	96.6
166.02734	11.3
166.05884	3.7
167.03452	1.2
172.05241	1.5
173.04489	4.6
173.05881	1.0
174.03180	1.3
175.00269	1.0
175.02597	1.2
175.03973	4.5
176.04723	1.4
177.01942	1.3
177.05531	2.3
179.07091	1.4
180.04330	5.2
181.05052	12.8
189.05537	2.6
190.02660	2.9
190.06329	3.5
191.01968	1.1
191.03566	2.1
191.05559	4.5
192.04138	1.6
193.05046	2.9
195.06609	69.4
196.06917	2.9
205.03387	1.6
205.05113	2.2
205.08687	1.4
206.05363	1.4
217.01563	1.2
223.04477	1.2
227.03569	1.6
241.81235	1.3
255.02837	1.7
266.05875	1.0
267.07028	1.3
279.06635	1.3
284.03223	6.1
297.07419	1.2
299.05682	4.7
300.02664	1.9
315.08914	1.1
329.10312	1.1
339.12265	1.8
342.11002	1.6
351.10760	3.9
352.10922	1.6
356.12424	1.3
357.09647	2.5
357.13354	6.9
369.09357	1.4
372.12067	2.7
373.12711	1.7
387.14444	37.1
388.14871	4.2
397.09253	3.1
430.04977	1.1
505.18417	1.0
531.18304	1.3
535.19708	29.8
536.19861	3.8
553.20721	1.9
565.20892	2.1
583.21820	35.8
584.21844	5.0
643.71283	1.1
669.38953	1.7
787.29779	1.9
813.19812	1.4
831.28607	7.8
832.31097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.6
59.01379	36.8
60.01712	0.3
65.00333	0.3
71.01379	9.0
72.99318	1.0
73.02953	0.5
75.00880	0.3
78.95921	0.2
83.01394	0.8
85.02951	2.6
87.00890	0.7
89.02440	8.7
93.03468	0.6
95.01396	0.7
96.96004	1.0
99.00864	0.2
101.02435	6.6
111.04485	0.2
113.02447	3.5
113.03173	0.3
113.42115	0.2
119.03491	3.7
125.02471	0.2
134.03766	0.4
137.02489	0.2
145.02882	0.2
147.04514	0.4
149.04578	0.2
151.00349	1.0
152.01169	0.4
161.02434	0.4
161.04688	0.2
163.11287	4.0
173.04582	0.6
178.99849	0.4
179.05586	0.2
189.02083	0.2
191.03581	0.2
191.05629	0.5
193.05078	0.7
207.10243	8.2
207.12210	0.4
208.10674	0.5
223.06235	0.2
265.04987	0.4
294.05408	0.3
331.72653	0.2
387.16583	100.0
388.16913	9.2
429.06216	0.4
441.08670	0.3
441.14063	0.6
544.57458	0.2
741.16577	0.6
785.16180	0.5
786.15826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.3
61.98841	5.3
69.30310	4.5
69.30734	3.5
71.01373	7.3
72.99309	1.2
73.02934	2.6
73.15035	0.9
75.45922	0.9
77.86415	0.9
78.51825	1.0
85.02943	4.6
85.48888	1.0
87.00878	4.8
89.02435	3.5
93.03416	2.7
95.01365	1.6
101.02440	2.6
108.02180	1.5
108.74828	1.1
109.02951	1.7
111.24010	1.0
113.02422	2.6
117.03454	2.4
119.03521	1.2
119.05006	3.1
121.02959	4.6
123.00875	3.6
123.04515	1.1
124.01657	1.6
125.02444	2.4
131.05009	1.8
133.02945	1.1
134.03712	1.8
135.04491	2.4
137.02396	2.3
138.03214	2.7
139.03952	1.4
143.05003	1.2
145.02931	6.3
145.06516	0.9
146.03670	2.7
147.04532	7.9
148.01613	1.6
149.02437	2.1
149.06050	1.5
150.03276	1.4
151.00066	1.0
151.03975	1.1
152.01106	1.2
153.05579	2.7
159.04506	19.2
160.05119	1.9
161.02448	4.9
161.06026	2.3
163.04002	7.1
164.04695	1.3
171.04498	2.6
172.05276	2.5
173.02478	7.2
173.04630	1.9
173.05998	13.1
174.03154	2.0
174.04611	1.1
174.06351	1.3
175.03987	3.7
181.05002	1.0
186.03163	2.3
187.03999	7.0
189.01952	1.3
189.12947	1.6
190.02661	1.7
191.01984	1.1
191.03529	2.1
191.05591	3.1
193.05026	2.9
196.05261	1.0
198.03171	1.3
199.04030	8.3
200.04602	1.9
203.03485	2.3
205.05069	1.2
208.03741	1.4
211.07573	1.1
212.04611	1.2
217.01404	6.2
217.04959	1.7
221.06160	1.9
223.05852	1.4
223.07773	2.2
225.05621	1.3
227.03433	3.5
229.01393	1.2
233.05991	1.0
237.05446	1.4
238.06219	1.0
239.03867	1.2
239.07089	5.1
243.10249	1.3
249.05557	12.9
250.06248	3.3
251.07149	6.5
253.04977	1.4
255.02925	2.9
259.06137	1.3
261.05457	2.0
262.03198	0.9
262.05991	0.9
263.07166	1.1
264.04214	2.6
265.05020	2.1
267.06641	10.5
268.07111	1.2
270.01248	1.0
276.04230	2.2
277.05045	43.5
278.05698	8.3
279.06583	10.6
280.03918	1.8
281.04547	4.8
282.05252	2.4
283.02380	1.7
284.03220	3.8
285.74033	1.1
290.05682	1.5
292.03888	1.0
293.04730	5.3
294.05362	11.9
295.06079	27.1
296.06708	7.1
297.04269	2.1
297.07596	7.0
299.05646	2.8
300.02884	1.2
303.03299	1.1
305.04504	22.3
305.07690	2.0
306.05197	4.9
307.06058	4.7
308.03320	1.4
308.06558	1.4
309.07608	3.4
310.08450	10.2
311.09216	3.8
312.06497	1.9
312.09903	4.0
313.06760	1.3
319.05896	1.5
321.03992	3.7
321.07684	2.7
322.04855	21.0
322.08401	4.2
323.05563	45.7
324.05957	4.3
325.07086	1.7
325.10651	8.1
327.12253	4.6
336.06363	1.8
337.07159	37.8
338.07910	57.7
339.08536	5.0
351.08292	7.2
353.10275	95.7
354.10681	10.4
367.04556	1.4
367.10342	3.0
379.08234	2.0
382.06866	3.2
397.09198	19.1
398.09799	1.8
413.12424	2.4
423.07147	7.4
446.08499	2.0
461.10950	3.3
484.35364	1.0
585.89111	1.0
695.04523	1.1
730.08740	1.1
741.31299	16.5
742.31903	3.8
785.30249	32.0
786.30615	8.1
811.28192	10.4
812.28638	2.7
829.29205	100.0
830.29462	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	829.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81566	1.4
59.01370	28.2
59.46885	1.2
61.98798	4.1
67.01912	1.7
68.99790	3.3
69.43781	9.0
70.62898	1.1
71.01379	22.4
72.99278	2.1
73.02923	3.0
80.46995	1.2
80.51765	1.1
83.01333	1.7
85.02536	1.1
85.02941	12.2
87.00874	11.1
88.98814	1.6
89.02441	9.0
89.03939	1.3
91.01884	1.5
91.05531	7.3
93.03449	10.0
95.01375	2.8
95.05016	6.1
96.95946	3.7
97.36498	1.3
99.00835	2.0
101.02434	7.5
103.05498	5.5
105.03465	6.2
107.04993	1.4
108.02145	2.4
109.02895	1.7
111.00838	4.0
113.02438	7.2
117.03416	3.8
119.01327	1.9
119.03483	2.3
119.05061	11.1
121.02926	7.5
123.04472	2.0
125.02415	1.7
129.01974	1.9
129.03419	2.7
131.04973	5.5
133.02939	2.9
134.03683	2.5
137.02437	12.1
139.03917	2.9
145.01915	1.5
145.02956	21.2
146.03624	3.0
147.00821	5.8
147.03391	2.5
147.04504	40.9
148.05312	6.9
149.02377	5.7
149.06026	3.9
149.07156	1.2
150.03226	2.2
151.00301	2.9
151.03972	3.6
158.03624	1.8
159.04443	1.7
160.01627	1.5
161.02371	5.6
161.04503	2.1
161.99504	5.1
163.00259	2.3
163.03889	5.4
164.04788	2.8
165.01906	2.2
165.05569	1.4
173.02351	2.0
173.04430	6.1
173.05869	2.3
175.00334	14.7
175.03911	1.9
176.01161	11.4
177.01814	4.6
177.05478	3.5
179.07013	1.7
189.01910	2.5
189.12776	3.1
190.02711	32.7
190.99846	6.7
191.03377	24.6
191.05486	7.1
192.04263	9.2
193.04898	5.3
205.01472	2.3
205.03371	1.8
205.05057	28.0
206.02080	2.5
206.05327	1.6
207.08206	1.6
217.01402	18.9
218.01854	2.4
219.02762	1.7
221.19066	6.0
223.07558	4.7
225.05533	2.1
227.03496	8.2
236.03230	2.2
241.04953	1.5
243.02769	1.5
249.05602	1.3
251.07155	14.0
252.07329	1.6
253.04999	2.1
255.02931	17.9
256.03375	3.0
263.07251	2.5
265.17862	3.5
267.06512	4.1
269.04361	2.9
277.04971	3.7
277.86365	1.5
278.05713	2.0
279.06561	13.8
283.18964	4.6
284.00446	1.4
284.03284	27.0
285.03845	6.7
294.08719	1.7
295.05945	5.5
297.11057	1.5
299.05359	5.3
300.02625	2.7
301.19937	5.8
309.11075	3.5
310.08231	1.9
311.05270	1.7
312.06195	2.2
321.03897	2.6
322.04578	5.6
323.02020	1.2
323.05594	17.1
323.09125	1.5
325.10666	1.6
336.06387	2.7
337.07101	33.6
338.04062	1.7
338.07877	13.9
339.04678	3.3
351.10516	5.5
353.10065	5.4
354.07129	1.8
365.02643	2.4
367.04422	6.9
371.11453	6.2
380.05215	1.9
382.06888	25.5
383.07272	2.6
395.07721	2.8
397.09219	100.0
398.09451	10.7
423.07224	20.7
424.07391	3.5
439.19458	1.9
441.07712	2.6
533.25293	1.4
533.33948	1.4
593.25958	2.7
636.17004	1.4
707.17633	4.2
785.29694	7.2
829.28571	96.9
830.29230	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.3
63.01023	1.5
63.35813	1.3
69.89416	1.5
70.81570	3.5
70.81919	1.7
71.01379	11.8
73.02943	8.4
78.45951	1.6
85.02952	7.4
87.00867	4.1
89.02418	9.7
91.04004	4.6
93.03432	5.0
96.96031	2.1
99.00870	2.1
101.02425	9.1
108.95637	1.4
109.02956	3.5
111.04468	1.6
113.02439	4.3
119.05002	2.0
121.02956	4.0
123.00890	1.7
123.04493	2.1
124.01678	2.1
131.03481	2.3
132.38799	1.8
137.02390	5.5
138.03204	5.1
139.04028	2.1
144.15117	1.6
147.04497	2.7
149.02490	2.0
153.05550	1.9
157.02901	1.5
159.04480	16.9
160.05183	1.9
161.02461	3.6
161.06078	3.9
163.03999	6.6
172.05273	1.9
173.02359	6.9
173.04536	5.2
173.06059	15.2
174.03194	1.6
175.03949	2.3
179.07109	1.5
187.03935	8.0
189.01874	2.1
191.01883	2.3
191.05598	4.4
199.03979	5.5
200.04691	2.5
203.03453	1.6
209.02937	1.6
217.01299	3.4
223.08104	4.4
225.05531	1.8
229.01321	1.9
239.07103	4.3
241.04988	1.7
243.03006	1.8
249.05492	10.0
250.06105	2.3
251.07082	7.0
253.04962	1.9
261.05551	1.9
262.06650	1.8
263.07495	2.2
265.04938	3.7
267.02942	1.9
267.06723	8.5
277.05014	32.2
278.05634	6.4
279.06470	8.8
280.03860	2.6
280.06790	2.2
281.04440	3.2
282.05112	2.0
293.04547	7.0
294.01923	1.6
294.05231	6.7
295.02551	3.6
295.06070	18.0
296.06696	5.8
297.04480	1.5
297.07553	8.9
298.08295	1.8
301.07266	2.2
304.03491	1.7
305.04388	15.3
306.05240	5.0
307.06125	3.9
310.05154	2.2
310.08334	9.9
311.01727	2.0
311.09219	3.7
312.06683	1.8
312.09872	7.2
321.04010	4.8
321.07391	3.0
322.04745	20.6
322.08447	3.8
323.05536	31.3
324.05954	4.7
325.07315	3.2
325.10577	8.3
327.08661	2.7
327.12292	6.6
336.06314	4.5
337.07101	25.4
338.07938	40.5
339.08279	3.7
351.08783	8.7
352.09454	1.9
353.10260	64.0
354.10580	5.8
382.06851	2.1
397.09070	9.3
413.12494	2.3
423.07080	6.8
739.24731	11.5
783.24707	17.0
784.23651	4.4
809.21252	21.4
810.21289	3.7
827.22485	100.0
828.22699	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.8
59.82398	0.2
64.06152	0.2
71.01370	0.3
71.54031	0.4
73.84243	0.2
80.14375	0.2
85.02929	0.4
85.06587	12.8
86.06932	0.3
87.00847	0.4
113.02481	0.2
113.06084	12.4
121.02957	0.3
122.75544	0.2
131.07137	100.0
132.07465	2.5
146.03709	0.3
151.00317	0.3
159.04457	0.5
159.66496	0.2
163.03975	0.3
173.08176	49.2
174.06946	0.4
174.08495	1.6
188.04814	2.0
189.01878	0.3
189.05495	0.6
191.05565	0.3
199.03987	0.2
204.07881	0.6
208.39410	0.2
214.06419	0.5
217.08723	6.4
218.08968	0.3
220.03499	0.2
227.03474	0.3
243.02948	0.2
243.10313	1.0
253.09920	0.2
255.02975	0.9
256.03729	0.5
261.11285	2.7
262.11511	0.3
271.02328	1.0
299.01962	0.6
300.02744	8.6
301.03134	0.7
315.05078	11.9
316.05396	1.2
349.09378	0.6
350.09952	0.2
410.45364	0.2
567.96069	0.2
609.14606	1.6
617.24927	0.2
646.89734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
62.49842	0.2
68.99802	0.6
70.84221	0.4
70.84575	0.3
71.01402	0.2
71.05039	0.3
75.34761	0.2
79.05532	0.3
83.05003	0.4
87.00873	15.2
91.05541	1.2
93.03461	3.1
95.05024	0.5
97.06584	8.1
103.05524	1.1
105.03444	1.8
107.04300	0.3
107.05017	6.4
108.02148	0.4
108.05398	0.2
109.02937	0.2
111.04497	1.3
112.05297	5.3
113.06088	0.3
119.05017	2.3
121.02950	31.8
122.03766	6.7
123.04556	1.2
124.01660	0.2
129.03445	0.6
129.71725	0.3
130.99854	5.4
131.00786	0.4
133.02991	0.3
135.04532	1.3
136.01622	0.8
137.02438	3.2
139.04030	1.0
143.05086	0.2
145.00546	0.2
145.02925	0.4
145.06593	0.3
146.03703	0.6
147.04514	21.5
148.05318	4.2
149.02467	1.0
149.06085	1.7
153.47104	0.2
154.02739	0.3
161.02396	1.4
162.03035	0.3
163.03993	4.5
164.04774	1.8
165.05490	0.6
173.02344	0.3
173.04507	0.3
175.04031	0.2
175.07610	0.5
176.04770	0.7
190.02579	0.3
191.01755	0.5
191.03494	8.9
191.10797	0.3
192.04266	3.9
193.01434	0.5
193.05025	1.8
194.02156	2.0
201.09178	2.6
205.05072	0.2
209.02612	0.2
217.08556	0.4
219.10220	2.1
227.03470	1.0
227.10992	0.3
245.11800	0.8
254.04289	3.8
255.02898	1.9
261.11258	1.9
262.11581	0.4
271.02466	1.2
284.03192	2.1
284.54822	0.2
285.03662	0.3
289.10803	3.4
290.11026	0.4
291.08704	7.1
292.09024	0.6
299.02106	0.5
299.05466	0.3
300.02747	4.1
301.03146	0.4
307.11911	0.6
315.05035	2.3
333.09732	0.6
351.10809	100.0
352.11130	9.2
477.10315	3.5
478.10855	0.5
829.21967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.2
59.01372	8.9
61.41905	0.6
65.00362	0.7
66.41725	0.6
69.61197	3.9
71.01375	6.5
71.11686	0.7
72.99304	1.2
73.02949	1.0
75.00856	2.1
78.99850	0.6
83.01378	2.6
84.02166	2.6
85.02946	100.0
85.48272	0.6
86.03275	1.5
87.00871	2.5
89.02427	2.1
93.01537	0.7
93.03459	0.9
96.57886	0.6
98.20579	1.1
101.02431	1.7
103.00388	1.4
108.02171	0.9
110.00071	1.0
111.00867	2.0
113.02422	0.8
117.03445	2.3
119.05038	7.9
121.02948	2.6
123.00848	1.2
123.04512	0.7
129.01944	7.4
131.04994	0.7
133.01416	1.2
137.02431	1.9
138.03210	2.1
143.04990	0.7
145.02939	5.6
146.03729	1.5
147.02997	18.8
147.04448	2.7
149.02443	1.2
151.04048	0.6
153.05568	1.2
159.04497	11.7
160.05182	2.0
161.02452	4.9
161.06052	2.9
162.03224	4.3
163.04015	8.4
164.04564	0.7
164.98256	1.5
165.98956	1.0
171.04475	0.9
172.05220	0.9
173.00926	1.3
173.02419	3.5
173.04631	1.0
173.06033	7.6
174.03291	0.6
174.06406	0.9
177.05655	0.7
180.04218	1.3
187.03998	3.7
189.05391	0.8
190.02678	0.6
191.01967	54.9
192.02286	1.7
192.04054	0.6
195.06572	1.0
197.04242	0.6
199.03902	3.2
203.03436	0.8
204.04248	0.7
209.03004	22.9
210.03110	0.8
216.04092	0.8
217.01332	2.8
223.07661	1.0
227.03326	0.7
229.01344	1.0
231.06586	0.8
237.09174	1.1
239.07065	1.5
248.04951	0.7
249.05432	4.8
250.06133	1.4
251.07060	3.9
259.06006	0.8
263.06897	0.7
265.05182	0.8
266.05783	1.1
267.06726	3.3
269.08203	0.8
271.02460	2.5
272.03201	2.1
277.02228	1.2
277.05045	15.4
278.05750	3.4
279.06570	4.8
280.03882	1.3
280.07101	1.0
281.04440	1.9
282.05200	1.0
284.03152	2.6
287.05560	2.4
291.06540	0.8
293.04147	1.4
293.06927	1.7
294.05298	4.0
295.06094	8.2
296.06790	3.3
297.07596	4.9
298.07852	1.0
299.05823	1.4
305.04523	8.6
306.05136	2.2
307.06094	2.1
308.03235	1.1
308.06693	1.3
309.07507	1.8
310.08350	2.9
311.09192	2.5
312.06537	0.9
312.09808	3.6
320.07040	0.8
321.04019	1.3
321.07605	1.4
322.04855	8.1
322.08340	1.3
323.05548	16.9
324.05972	1.7
325.06943	1.8
325.10791	4.0
327.12350	5.6
328.12708	0.8
337.07251	14.2
338.07919	20.6
339.08273	1.8
341.13251	0.8
351.08673	3.9
352.09241	1.6
353.10269	42.4
354.10690	3.9
355.06458	1.9
371.11252	1.9
373.54892	0.7
379.07965	1.5
382.06668	0.9
397.09171	7.8
398.09460	0.9
413.12381	6.0
415.10019	0.9
419.11368	4.0
423.07162	2.9
443.13181	1.9
457.11462	1.0
463.10403	2.0
473.14417	1.8
517.13361	1.8
581.16504	0.8
654.66888	0.7
655.13190	1.0
689.51019	0.7
711.22894	4.7
712.23541	1.1
755.22046	5.9
755.56201	0.7
756.21899	1.2
773.23022	4.1
774.22845	0.9
781.19751	1.1
799.20734	5.6
800.21228	1.5
817.21844	35.1
818.22076	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	819.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01381	4.2
61.98830	3.9
67.01895	1.5
69.03468	0.6
71.01376	3.8
71.54774	0.6
72.99310	0.7
73.02942	0.9
75.00858	1.3
78.95891	1.1
80.88284	0.5
83.01387	1.0
85.02949	7.2
85.68154	0.5
87.00875	4.6
89.02456	2.3
93.03458	1.9
96.96037	0.9
101.02441	1.9
107.05038	0.9
107.62503	0.5
109.02957	1.7
111.04561	0.6
113.02433	2.4
117.03456	0.7
119.01398	2.8
119.05020	1.3
121.02940	4.3
122.03787	0.7
123.04533	0.9
125.02463	0.9
130.99860	1.1
131.04918	0.5
134.03737	1.8
135.04497	2.5
137.02438	18.2
145.02907	1.1
147.00868	3.9
147.02959	0.6
147.04526	2.9
149.02415	8.9
149.06035	0.7
150.03163	1.3
151.03975	1.6
152.01147	1.6
160.01617	0.8
161.02385	1.6
162.03247	0.6
163.04002	3.6
164.01093	1.2
164.04796	6.7
165.01921	97.2
166.02232	4.0
167.03412	0.7
169.05124	0.6
173.04475	1.3
175.00343	17.0
175.01802	1.1
175.03926	1.0
176.00777	0.8
178.02727	0.7
179.03488	15.8
179.07085	1.5
180.04268	55.3
181.04651	2.1
189.01917	0.7
189.12805	1.5
190.02704	49.0
191.01955	2.1
191.03505	2.7
191.05623	0.9
192.04184	1.4
193.01379	1.0
193.04971	0.8
194.02219	1.0
194.05820	2.2
195.03040	2.5
195.06609	58.4
196.06886	2.7
205.05046	48.9
206.05389	2.6
207.02904	0.9
207.06618	0.6
208.03789	1.8
209.02864	1.0
209.04607	1.0
210.05309	10.9
211.05777	0.9
223.06143	6.7
225.07664	48.9
226.07985	2.4
254.04271	0.6
255.02974	0.9
265.07138	1.7
267.06937	1.0
284.03314	3.0
285.03925	1.5
299.05692	3.1
299.08667	0.7
313.03241	0.6
327.08932	1.2
333.09973	1.0
351.10797	3.8
370.05283	1.3
401.12344	10.1
402.12677	1.9
447.29028	0.6
450.14838	0.7
467.11337	1.0
529.48053	0.5
578.23383	0.7
593.25983	100.0
594.26392	17.9
657.37781	0.6
771.32129	3.3
819.34662	6.4
820.33881	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	818.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
61.98829	100.0
62.63831	0.1
62.98535	0.2
68.89371	0.1
71.29929	0.2
80.96533	0.3
82.32211	0.1
94.98094	0.2
96.96022	0.1
104.64603	0.1
142.20448	0.1
146.91879	0.1
209.11876	0.3
210.12166	0.2
225.00742	0.2
277.21820	0.2
278.22107	0.2
279.22461	0.1
674.88861	0.1
819.42737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.4
59.01375	29.3
61.98808	4.7
66.69880	1.1
68.99812	1.7
69.03428	1.2
70.35986	5.1
71.01371	16.4
72.99283	2.6
73.02927	2.2
74.13144	1.1
75.00857	2.2
78.83785	1.2
83.01384	2.3
85.02457	2.4
85.02945	30.0
86.03257	1.3
87.00871	9.8
88.87511	1.3
89.02433	11.2
91.05492	5.3
93.03451	6.1
95.04989	4.8
96.95985	2.2
99.00799	1.8
101.02439	8.0
103.05508	5.7
105.03415	4.5
108.02138	4.4
109.02898	1.4
111.00876	1.9
113.02436	6.2
114.01960	3.0
117.03467	6.1
119.03457	4.5
119.05025	11.0
121.02972	6.6
122.03748	2.3
123.04516	2.8
124.01613	1.7
125.02364	1.7
129.01900	4.2
129.03407	2.6
131.05002	4.1
133.02879	3.7
134.03665	3.5
135.04485	2.4
137.01646	1.4
137.02441	15.6
139.03920	4.0
143.03383	1.7
145.02948	32.3
146.03749	7.6
147.00818	2.1
147.02983	4.1
147.04509	43.9
148.01593	1.8
148.05327	8.3
149.02434	7.3
149.06009	5.6
150.03183	2.6
150.63724	1.4
151.03989	3.0
159.04507	3.0
160.01656	2.0
161.02438	21.7
161.06070	1.8
161.99550	6.0
162.03206	21.8
163.03860	4.7
164.01018	1.4
164.04793	8.1
165.01900	1.8
165.05492	3.4
173.02420	1.8
173.04524	2.9
175.00395	7.8
175.03946	2.6
175.99997	1.2
176.01123	11.7
177.01889	1.6
177.05579	8.2
179.05589	2.5
179.07133	1.8
180.04210	5.6
189.01848	3.6
190.01273	1.4
190.02730	19.3
190.99811	5.4
191.01872	11.8
191.03435	20.4
191.05397	3.9
192.04233	12.9
193.04958	5.1
195.06572	6.4
205.01543	2.6
205.05092	14.4
207.02873	1.3
209.03001	8.9
209.06120	1.5
213.05580	2.4
214.06252	2.4
217.01344	5.8
219.02820	1.6
221.08154	1.7
223.05850	3.0
223.07582	4.5
224.03194	1.9
225.05505	2.0
225.09189	1.6
233.00946	1.4
236.03056	3.0
237.03868	1.4
239.07008	2.2
243.10297	6.2
251.07178	11.9
253.04912	2.5
255.02904	1.7
263.07010	1.7
265.07074	1.8
267.06656	3.1
277.04980	5.4
279.06604	11.7
280.07016	2.0
281.04440	1.7
284.03152	3.1
293.04611	1.8
295.06018	4.4
296.06815	2.4
297.03909	4.2
298.04636	1.6
299.01828	1.6
299.05481	4.1
307.05829	1.4
309.11188	3.2
310.08279	1.8
311.05347	1.7
312.06409	1.6
321.03891	2.2
322.04663	5.2
323.05420	17.1
323.09082	4.5
324.05963	2.4
331.08051	2.9
337.07111	28.1
338.04239	1.4
338.07883	14.5
339.04846	2.0
339.08450	4.2
351.08502	5.4
353.10245	2.4
357.11661	1.5
367.04514	9.0
368.04730	1.9
369.09683	2.5
371.10974	2.6
378.58188	1.5
382.06915	14.4
383.07022	2.2
393.01761	1.8
395.07367	3.8
397.09244	100.0
398.09503	9.8
408.04431	2.0
419.11121	1.7
423.07208	52.1
424.07483	7.5
441.08286	3.1
492.46890	1.4
523.12366	7.1
552.18378	1.6
581.16473	1.8
595.27478	3.6
651.14594	1.4
817.21655	71.9
817.44092	2.9
818.21417	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	815.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01382	1.6
61.98826	0.6
63.96229	2.5
69.03451	0.9
69.24721	2.4
71.01375	10.7
73.02950	2.2
78.95911	0.3
78.98589	8.3
79.01875	0.3
79.95731	18.1
80.96511	100.0
81.03454	1.1
81.96436	0.3
83.01366	0.5
85.02949	3.6
87.00873	4.0
87.04541	0.4
94.98083	23.1
95.01398	0.8
96.95998	1.5
97.02937	2.0
99.00865	0.7
101.02427	2.6
106.98084	4.4
113.02436	0.4
122.97575	4.9
125.02438	3.7
127.04016	0.9
134.97580	5.6
136.99146	1.8
141.01707	0.3
143.03470	0.4
146.97533	0.4
148.99133	8.0
152.98621	8.1
152.99536	0.3
164.98608	15.5
165.98843	0.3
167.00148	0.5
188.98671	0.4
206.99629	2.3
225.00725	22.0
226.01022	0.7
255.23199	1.8
258.75632	0.3
277.21725	0.9
281.03064	0.2
283.04926	0.3
446.77875	0.3
537.27582	1.5
559.25677	2.5
560.26044	0.4
815.49774	99.8
816.50122	22.0
841.60028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74593	0.1
59.01368	0.3
61.98826	100.0
64.02416	0.1
68.67952	0.1
70.43404	0.2
70.43720	0.3
71.01373	0.3
73.02934	0.2
78.98597	0.2
79.95740	0.7
80.96516	3.1
87.00878	0.5
94.98097	0.5
96.96026	0.2
99.92608	0.2
100.52177	0.2
106.98061	0.2
116.92879	0.3
134.89471	0.1
134.97556	0.2
148.99196	0.2
159.65523	0.1
164.98647	0.2
225.00826	0.5
309.20422	0.2
630.56238	0.2
737.11133	0.2
815.50671	0.6
816.50220	2.1
817.51349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98827	100.0
62.98525	0.2
70.59416	0.4
71.01406	0.3
71.28446	0.1
78.95894	1.0
79.95721	0.2
80.96509	1.3
94.98078	0.3
95.88539	0.1
96.96942	0.2
141.19960	0.1
148.99159	0.2
152.99643	0.2
164.98575	0.3
171.10254	0.4
207.10234	0.2
209.11842	0.4
225.00917	0.2
241.01183	0.4
255.23276	0.4
256.23706	0.2
277.21802	0.4
278.22137	0.2
331.13409	0.1
358.24643	0.1
419.27362	0.2
651.64331	0.2
725.37183	0.2
726.39301	0.3
798.41644	0.5
815.50891	0.4
816.51282	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.8
59.01371	12.8
63.31114	1.2
68.99797	1.1
69.34794	10.4
71.01394	7.2
72.99292	2.0
74.39478	1.1
75.00847	1.8
83.01394	2.1
85.02950	54.8
87.00859	4.6
89.02435	3.0
89.91578	1.3
91.68618	1.2
93.03469	2.4
101.02408	2.5
108.02144	3.1
109.02993	1.5
111.00850	2.0
117.03460	3.4
119.05020	4.7
121.02963	6.6
123.00877	4.3
123.04538	2.2
124.01653	1.7
129.01967	6.7
134.03766	1.5
135.04527	3.6
135.81757	1.1
136.01625	1.3
137.02399	4.5
138.03241	4.6
139.04001	2.0
145.02963	9.6
146.03693	3.5
147.02980	9.4
147.04524	6.6
148.28180	1.3
149.02415	4.1
150.03221	1.7
151.04048	1.5
153.05579	3.8
159.04510	33.8
160.05168	4.5
161.02448	8.7
161.06076	6.4
162.03220	8.0
163.03995	11.0
165.05518	1.4
171.04527	2.1
172.05336	2.5
173.01042	2.3
173.02367	8.0
173.04543	5.7
173.06056	21.1
174.03125	2.9
175.03989	2.7
177.05537	1.8
180.04295	3.3
181.16788	1.2
186.03278	2.9
187.04002	9.9
189.05409	1.5
191.01974	29.0
191.03647	2.7
193.01265	1.3
193.05074	1.6
195.06606	3.1
199.04018	5.9
203.03471	3.4
209.02983	15.9
217.01485	6.1
219.02841	1.6
221.05960	1.4
223.07706	2.6
225.05672	1.8
227.03400	1.7
229.01338	1.8
230.02115	1.9
233.06088	1.6
237.05582	1.8
237.09204	2.2
239.07112	5.0
247.05804	1.6
248.04817	1.9
249.05524	12.9
250.06142	3.0
251.07124	8.6
259.05917	2.8
261.05566	2.9
265.04996	2.9
266.05780	3.2
267.06674	9.2
268.06985	1.5
269.61053	1.3
271.02420	1.4
276.04385	2.2
277.05038	42.2
278.05710	10.4
279.03494	2.1
279.06604	13.3
280.03876	2.0
280.06946	1.5
281.04453	4.2
282.05286	3.3
291.06787	2.8
292.03778	2.0
293.04510	5.7
294.05362	11.3
295.06033	25.1
296.06738	7.4
297.04309	2.0
297.07605	11.2
298.08212	2.7
299.05502	1.9
305.04489	21.8
306.05142	4.7
307.06088	6.9
308.03217	2.1
308.06680	1.5
309.03851	1.5
309.07626	2.5
310.08386	6.8
311.08984	8.5
312.06638	2.7
312.09946	10.9
320.06769	2.2
321.03931	4.0
321.07468	1.9
322.04895	17.6
322.08496	3.1
323.05566	48.2
323.09088	2.5
324.05927	5.6
325.07190	3.0
325.10736	10.5
326.11325	3.1
327.12320	15.3
336.06369	4.1
337.07166	40.7
338.07916	52.6
339.08185	4.4
349.03571	1.8
351.08743	11.7
353.10266	100.0
354.10724	9.1
367.04669	1.6
369.09064	1.6
371.11182	4.5
372.12039	1.4
375.16116	1.6
379.08127	4.0
382.07065	3.1
397.09271	19.4
398.09442	2.5
413.12372	14.6
414.12939	1.9
415.10571	2.2
419.11169	2.0
423.07095	8.6
443.13257	5.2
457.11349	3.3
468.10571	1.5
473.14267	5.8
517.13538	3.4
644.97748	1.5
701.19916	1.6
711.23010	11.6
712.23370	2.9
755.21887	17.1
756.22168	4.6
773.22821	9.4
774.22620	2.2
781.19971	3.7
786.50891	1.4
799.20673	14.9
800.20844	3.9
817.21936	85.2
818.22198	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	815.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
63.52772	0.4
63.96239	1.9
69.03448	1.0
69.22759	2.6
69.23173	0.7
71.01379	8.6
73.02945	1.6
78.98592	8.2
79.95736	17.5
80.96516	92.9
81.03471	1.2
83.01394	0.6
85.02957	3.9
87.00880	3.7
94.98087	20.5
96.96017	1.0
97.02949	1.8
98.19838	0.8
99.00883	0.8
101.02433	3.3
106.98087	4.2
122.97581	4.0
125.02451	3.8
127.03994	0.8
134.97568	6.5
136.99136	1.3
148.99130	7.3
152.98633	6.9
164.98622	13.5
167.00031	0.5
174.31763	0.4
176.98459	0.4
182.44983	0.4
202.13768	0.4
206.99655	3.5
225.00729	19.8
255.23239	1.5
277.21729	1.2
283.04929	0.5
537.27399	1.5
559.25842	2.3
815.49823	100.0
816.50134	22.5
816.62469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.9
60.39748	0.5
71.01362	1.3
83.43877	0.4
85.02924	0.6
85.06586	3.6
87.00877	0.7
89.02441	0.6
93.03464	0.8
98.20668	0.9
107.01376	1.6
108.02184	1.4
113.02411	0.4
113.06075	3.5
121.02940	1.0
125.02435	0.5
131.07130	24.7
135.00854	0.9
141.57256	0.4
148.01622	1.2
151.00369	5.3
161.02431	0.6
163.00359	1.0
163.03918	0.6
164.01111	0.6
169.01395	0.5
173.05878	0.5
173.08177	9.8
178.99829	3.0
191.02014	0.4
191.05600	0.8
192.00778	0.4
199.03911	0.5
207.10745	0.5
217.08647	1.0
226.02701	0.8
227.03503	2.3
243.02989	7.0
244.03389	0.7
254.02156	1.7
255.02965	19.0
256.03268	1.3
271.02454	44.8
272.02835	3.7
273.04095	0.9
299.01947	1.6
300.02719	95.1
301.03278	14.6
365.11240	0.6
455.19409	0.7
595.12982	100.0
596.13330	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	813.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
59.01381	21.0
61.98829	17.9
67.83884	2.1
68.12102	2.3
69.32967	14.7
71.01392	10.7
78.03246	2.4
80.02677	2.4
80.96509	2.9
81.03448	3.2
83.05006	7.1
85.02931	4.2
89.02435	6.4
93.07020	2.0
95.05029	3.5
96.96027	2.5
97.02950	12.0
97.06548	3.1
101.02432	11.4
104.19061	2.2
109.05904	2.9
109.06594	37.4
110.03648	2.4
111.08165	4.1
113.02433	5.4
116.92845	5.4
119.04899	2.5
121.06587	3.3
123.04500	2.2
135.08188	2.4
149.40836	2.5
159.82274	2.5
161.04546	3.2
161.09767	3.0
163.11270	23.1
165.12837	3.9
169.05635	2.2
171.10356	4.7
181.12326	5.8
185.11748	3.8
189.09227	3.2
197.11852	23.7
207.10255	100.0
208.10526	6.5
209.11795	79.8
210.12090	4.5
211.13338	7.2
212.89301	2.5
225.11316	39.2
227.12854	12.1
235.08194	7.3
245.19058	6.3
247.20610	2.9
253.09235	29.3
254.09537	2.4
263.20001	3.6
289.18069	25.0
291.19711	25.9
307.19128	29.3
309.20685	70.2
310.21060	7.2
443.19424	4.2
461.19946	10.8
499.30444	2.8
545.29059	3.4
735.40637	3.1
753.40546	44.7
754.40643	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	815.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.0
60.63022	0.3
61.98809	1.8
71.01380	2.9
71.37680	0.7
73.02944	0.8
78.95899	2.4
79.95730	0.5
80.02670	0.8
80.96515	2.9
81.03449	0.9
82.72223	0.3
83.01395	0.5
83.05022	3.4
85.02950	0.8
87.00864	0.8
87.66997	0.4
89.02432	2.0
94.98113	0.8
95.05048	0.5
97.06609	0.4
101.02438	2.8
113.02449	1.5
119.03423	0.5
122.14771	0.3
122.87744	0.3
132.07272	0.3
137.59589	0.4
138.71651	0.4
152.99573	0.6
161.04558	1.1
163.11256	3.2
164.98618	0.6
165.12822	1.9
171.10213	1.1
179.05608	0.6
191.10716	0.6
209.11807	100.0
210.12155	6.0
225.00702	0.8
227.12863	12.2
227.15158	0.7
228.13235	0.4
233.22874	0.4
235.08232	4.2
238.10307	0.4
241.01161	1.1
253.09270	8.4
254.09732	0.8
255.23247	1.0
259.15659	0.5
277.21695	76.7
278.22083	6.8
349.23288	0.4
359.42654	0.5
445.20935	3.4
513.30627	1.5
725.39124	0.7
797.40735	1.5
815.50604	2.9
816.50476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
60.02991	0.6
61.98845	0.7
63.96227	1.8
69.03430	0.9
69.22581	1.4
69.22989	5.2
71.01380	9.8
73.02925	2.1
76.95900	0.7
78.95898	2.3
78.98600	7.8
79.95733	17.1
80.96515	92.2
81.03452	1.3
82.96092	2.8
85.02940	3.7
87.00871	3.2
94.98084	19.7
96.96010	1.3
97.02951	3.0
99.00915	0.8
101.02444	2.9
106.98090	3.7
120.07598	0.8
122.97575	3.9
125.02431	2.9
127.04112	0.8
134.93750	0.7
134.97586	5.9
136.99109	1.5
148.99113	7.1
152.98619	6.8
152.99638	1.0
164.98633	14.9
201.11290	1.2
206.99702	3.2
209.11885	0.8
225.00717	27.0
225.31308	0.8
226.01077	0.9
245.06853	0.8
283.04855	1.2
283.26532	1.8
286.12436	0.8
405.83533	1.1
407.20615	0.8
453.33685	1.8
483.15076	1.8
527.18146	1.3
557.83502	0.9
565.30341	1.0
699.44672	0.8
767.42761	3.4
793.43970	1.6
811.45001	100.0
812.45404	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01794	0.5
59.01370	3.5
64.63190	0.5
71.01360	1.6
71.54041	0.7
73.02944	1.4
81.43046	0.4
83.05010	0.6
85.02940	1.2
87.00877	14.1
89.02408	0.5
91.05571	0.5
93.03456	5.0
95.05018	0.5
96.96008	0.5
97.06590	8.8
101.02422	1.0
103.05521	0.7
105.03445	1.5
107.05027	6.5
111.04517	2.0
112.05299	3.8
113.02442	0.7
117.03445	1.4
119.04993	2.3
121.02952	28.9
121.73276	0.5
122.03793	6.2
123.04549	1.0
130.99863	3.9
134.03722	0.7
135.04523	1.7
136.01639	0.6
137.02432	2.8
139.03989	1.1
140.66420	0.5
145.02946	8.9
146.03453	3.4
147.04533	19.2
148.05327	3.9
149.02454	1.3
149.06062	2.2
159.04536	0.5
161.02441	1.3
163.04034	4.4
164.04721	1.6
165.05540	0.8
172.05246	0.7
173.04501	1.7
175.03970	0.6
176.04784	0.5
189.01910	1.4
191.01965	0.9
191.03506	7.7
191.05360	0.9
191.10696	0.9
192.04231	2.7
193.05032	2.6
194.02173	0.9
201.09181	1.9
207.02911	0.6
219.10217	2.3
243.10254	2.5
244.10547	1.0
245.11652	1.5
254.04369	3.5
261.11237	3.4
262.11609	0.7
285.03894	0.6
289.10831	3.5
291.08755	6.5
328.09698	0.5
331.08313	0.8
333.09811	1.4
349.09195	4.6
350.09521	3.5
351.10806	100.0
352.11182	8.5
536.75494	0.5
663.28387	0.6
665.25452	0.5
690.85138	0.6
811.35956	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	809.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	7.3
71.53274	2.0
78.95897	8.2
78.98586	5.5
79.95724	13.3
80.96515	81.4
85.02934	2.5
94.98085	15.8
97.04079	1.8
100.51519	1.9
101.02403	4.2
106.37823	2.1
106.98074	3.1
122.97548	2.5
127.22180	2.0
134.97580	3.8
148.99115	7.2
152.98634	5.0
164.98616	13.5
209.11760	4.5
225.00749	20.8
241.01012	3.8
283.26346	7.3
325.65894	2.1
791.42853	10.8
809.43549	100.0
810.43915	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	809.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36740	36.6
61.98818	100.0
64.34017	34.5
71.39959	53.1
99.50060	38.6
101.74386	40.9
126.51967	40.4
131.03456	40.9
156.00664	45.3
171.14467	37.6
202.42624	40.0
277.21555	55.0
457.78937	48.5
489.06656	47.6
612.25305	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01371	2.4
61.98828	1.2
67.92897	0.3
68.99821	1.0
69.03491	0.3
71.01390	0.7
71.54488	0.4
79.05523	0.7
85.02952	1.2
85.21370	0.3
87.00883	1.5
91.05526	3.5
93.03437	2.1
95.05027	1.9
96.96008	0.5
97.06591	3.6
101.02396	0.5
103.05534	2.3
105.03451	5.0
107.05035	1.3
108.02171	0.9
112.05296	0.9
113.02473	0.6
117.03496	0.5
119.05011	5.0
121.02946	10.6
122.03785	2.7
123.04539	0.7
129.01930	0.4
129.03471	1.2
131.05003	0.8
132.02171	0.5
133.02916	0.6
133.06575	0.4
134.03754	0.6
135.04568	0.5
136.01657	0.4
137.02443	6.9
139.04019	2.0
145.02956	2.6
146.03734	3.6
147.04510	53.8
147.20035	0.4
148.05322	9.3
149.02417	0.4
149.06084	1.6
159.04527	0.6
160.05307	1.1
161.02406	5.1
161.06033	0.9
162.06857	8.1
163.03998	1.4
163.07341	0.5
164.04767	0.7
165.01970	0.6
165.05447	0.5
173.04559	0.9
173.05965	0.7
174.06781	0.6
175.04028	1.2
176.04765	3.4
177.05472	0.4
177.09222	0.9
178.09937	0.4
180.04123	0.6
183.04587	0.3
187.07536	0.6
188.04742	0.8
188.08444	2.8
189.05571	0.6
191.01756	0.8
191.03497	15.2
191.05389	0.7
191.10762	1.5
192.04250	8.4
193.04932	1.1
194.05768	1.0
195.06552	0.7
199.11278	0.8
201.09229	0.8
215.10768	1.1
217.12311	24.0
218.12645	2.0
227.10754	1.1
243.02995	0.4
243.10236	1.1
245.11800	11.1
246.12096	0.9
255.02942	1.1
261.11270	11.9
262.11713	0.7
271.02454	2.0
284.03296	1.0
289.10788	26.5
290.11160	1.8
299.02161	0.6
299.05502	0.7
300.02710	7.1
301.03094	1.3
302.03235	0.4
315.05084	4.3
316.05447	1.1
333.09766	100.0
334.10086	9.1
345.52267	0.4
351.10892	2.0
352.11215	1.1
353.11307	0.6
464.54657	0.4
477.10315	6.1
478.10745	2.6
478.22241	0.4
479.10651	1.5
802.74414	0.4
811.27100	0.6
836.41986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98832	2.1
65.00317	1.0
69.51337	2.9
83.01380	0.5
87.00875	1.1
107.01390	1.5
108.02189	1.6
121.02966	0.9
135.00894	0.9
139.18927	0.4
148.01680	1.2
151.00363	6.4
161.53172	0.5
163.00327	0.6
163.03963	0.5
164.01169	0.6
171.78983	0.4
173.04565	1.9
178.99841	3.5
199.04086	0.7
215.03389	0.8
216.04347	0.6
226.02666	1.8
227.03465	1.7
227.14841	0.4
243.02956	9.3
244.03539	0.5
254.02220	1.6
255.02962	22.2
256.03378	1.5
271.02454	45.7
272.02884	5.3
284.03339	0.6
297.07489	0.6
297.32895	0.4
299.01947	2.3
300.02728	100.0
301.03287	16.4
302.03864	0.6
349.09464	0.6
350.09424	0.5
453.17654	0.6
741.18781	67.7
742.19159	13.4
805.21509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
61.98830	15.8
65.03970	0.4
68.99806	0.4
69.03444	0.4
69.19279	2.6
69.19682	1.0
71.01371	1.6
73.02936	0.7
75.00864	0.6
75.02358	0.4
83.05021	0.7
85.02942	1.7
87.00341	0.7
87.00872	14.9
88.01186	0.4
89.02441	0.7
91.05553	0.8
93.03462	4.1
95.01293	0.5
95.05006	0.9
96.96014	0.6
97.06584	8.1
99.00867	0.5
101.02424	0.9
103.05534	0.9
105.03482	1.8
107.05027	6.9
108.02194	0.9
109.02914	0.4
111.04533	2.3
112.05303	5.8
113.02452	1.4
117.03457	1.3
119.05007	2.9
121.02953	31.4
122.03795	7.2
122.98277	0.3
123.04514	1.6
124.01624	0.4
125.02431	0.4
130.99866	5.2
133.02971	0.4
134.03697	1.1
135.04504	1.6
136.01622	0.8
137.02461	4.6
139.03990	1.1
143.07257	0.3
145.02971	4.1
145.06610	0.4
146.03639	1.4
147.04520	21.5
148.05342	4.1
149.02400	1.4
149.06062	2.4
149.07077	0.4
150.03159	0.5
151.00385	0.4
154.02727	0.4
159.04466	0.5
160.01640	0.9
161.02428	1.6
163.03998	5.4
164.04768	1.5
165.05518	1.2
173.04543	1.1
175.03873	0.8
175.07625	0.5
175.61684	0.4
176.04788	0.7
178.02702	0.5
181.05045	0.7
191.03503	8.3
191.05510	1.1
191.07149	0.7
191.10689	0.7
192.04208	3.8
193.05009	2.3
193.83292	0.4
194.02136	1.9
195.06522	0.5
201.09196	1.8
217.08835	0.6
217.12312	0.9
219.10300	1.9
227.03539	0.5
235.06120	0.8
243.10220	1.2
245.11813	1.1
254.04330	4.5
255.02911	1.2
261.11218	3.1
263.12799	1.0
271.02512	2.3
272.02933	0.5
284.03302	1.1
285.03961	0.4
285.12531	0.5
289.10706	3.9
291.08719	7.1
292.08862	0.6
299.01923	0.6
299.05423	1.0
300.02747	6.2
300.06052	0.6
307.11771	0.9
315.05081	3.8
333.09869	2.2
345.23853	0.4
351.10818	100.0
352.11157	10.2
353.12039	0.4
417.15665	0.9
477.10361	6.5
478.10626	0.8
621.86621	0.4
768.92609	0.4
809.31036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
61.98827	2.3
65.00327	1.1
65.23412	0.4
71.01360	0.9
81.51093	0.4
83.01382	0.7
85.02962	1.8
87.00854	2.0
89.02454	0.5
93.03450	1.0
96.87388	0.4
96.96031	0.4
107.01370	2.1
108.02168	1.6
111.04459	0.4
120.31370	0.4
121.02943	1.7
122.03260	0.5
124.04027	0.4
125.02505	0.5
135.00859	0.6
135.04448	0.4
137.02448	0.8
147.04539	0.9
148.01651	0.9
149.06117	0.8
151.00352	7.5
151.01564	0.4
159.04503	0.8
161.02434	0.7
162.03145	0.4
163.00378	1.1
163.03979	0.4
164.01114	0.6
164.04807	0.4
169.01367	0.4
173.04515	1.1
173.05942	0.6
178.99846	3.5
185.05997	0.7
187.07579	0.9
188.04749	0.6
189.05600	0.5
189.09123	0.4
191.01900	0.6
191.05521	0.6
196.05345	0.4
199.04076	0.7
199.07651	0.8
203.03545	0.5
204.07912	0.5
205.05013	0.5
214.06267	0.8
216.04283	0.6
217.08617	0.8
219.02888	0.5
223.07619	1.0
225.09070	0.8
226.02744	1.3
227.03458	2.2
243.02956	8.7
243.10226	3.0
244.03506	1.1
245.04497	0.5
253.05090	0.4
254.02228	2.4
254.05888	0.6
255.02950	26.1
256.03412	1.9
256.07306	0.4
269.08102	0.5
271.02441	53.3
272.02945	5.2
273.04022	0.4
282.05087	0.6
283.29913	0.5
284.03159	0.5
287.09180	0.6
297.07803	0.7
299.02124	1.8
300.02710	100.0
301.03262	16.3
302.03796	0.5
323.09055	0.4
326.07889	0.4
331.08157	1.3
343.04492	0.7
349.09216	0.7
357.09732	0.9
397.08868	0.4
639.87402	0.4
741.18756	66.8
742.19055	14.5
742.31866	0.8
804.23853	1.1
805.22064	3.5
816.59326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98539	0.1
71.53333	0.1
71.53773	0.1
78.95918	0.1
79.95689	0.1
80.96503	0.1
86.99367	0.1
112.01408	0.1
112.98598	0.1
118.36067	0.1
122.02367	0.1
125.16753	0.1
136.45790	0.1
179.31137	0.1
187.29907	0.1
277.21948	0.2
305.14200	0.1
318.38892	0.1
802.41400	0.1
803.39313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75570	0.5
59.01373	2.2
61.98826	60.6
63.02395	1.3
65.00304	0.9
69.27463	5.8
73.93129	0.5
83.01399	0.8
87.00858	1.3
93.03455	2.5
98.20671	1.1
107.01370	1.4
109.02956	0.8
119.05035	0.8
131.05067	0.6
132.02104	1.3
137.02420	1.3
147.04510	2.4
148.05197	0.7
149.06084	6.1
150.06390	1.6
151.00381	3.6
152.01152	0.7
158.81367	0.6
159.04446	0.6
163.00374	1.0
173.04498	2.0
173.05890	0.5
175.03973	0.8
178.99872	1.1
183.04466	0.8
187.03908	0.7
191.05682	1.2
193.04996	2.1
205.04955	0.7
211.04022	1.1
214.86374	0.5
219.02960	2.2
220.03355	1.8
227.03462	33.2
228.03833	2.4
229.04927	2.4
237.03989	2.6
241.04933	0.7
243.10269	1.2
255.02943	64.5
256.03531	8.5
257.04480	2.6
283.02435	2.2
284.03223	100.0
285.03885	25.8
286.04419	0.8
291.88385	0.7
295.05795	0.8
327.08508	0.7
339.04681	0.8
351.28180	0.6
739.20837	83.0
740.21130	18.1
802.22656	2.6
803.22644	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	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98523	0.2
68.99565	0.8
78.95921	0.2
79.95739	0.1
80.78012	0.1
80.96541	0.2
99.98589	0.1
104.83955	0.1
112.98560	0.8
117.28480	0.1
134.72441	0.1
152.99680	0.1
172.16020	0.1
182.91698	0.1
196.45343	0.1
209.11829	0.2
277.21680	0.1
626.89368	0.1
803.38843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.2
60.34507	0.2
61.98827	100.0
65.13309	0.2
69.50623	0.5
69.51038	1.2
87.00887	0.2
94.26804	0.2
116.92879	0.5
126.59391	0.2
148.36978	0.2
198.14958	0.2
209.11932	0.4
293.21249	0.3
312.59149	0.2
557.88727	0.2
650.45477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.3
61.98826	100.0
63.99247	1.4
71.01369	3.5
71.53971	0.9
78.95908	1.1
83.05016	3.0
85.02941	0.9
87.00883	0.9
89.02434	2.4
100.15324	0.8
101.02428	2.4
105.25893	0.8
113.02450	1.5
126.01730	1.0
127.11260	1.5
160.99008	0.8
161.04509	0.9
163.11264	2.2
165.12794	1.0
170.83763	0.9
188.31516	0.8
201.11307	27.6
202.11557	0.8
209.11816	61.9
210.12134	3.0
227.12918	8.3
235.08217	5.0
253.09264	10.6
277.21698	73.5
278.22031	6.8
419.18909	1.1
437.20071	1.3
445.20773	1.4
513.30658	2.5
603.08813	0.9
701.61652	0.9
739.43030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.3
59.63317	1.6
60.23273	1.8
60.54609	1.6
61.98825	85.4
63.77296	1.9
63.95345	1.8
69.03458	2.3
69.20287	1.7
69.20588	17.4
71.01376	6.0
78.95905	3.6
84.21554	1.7
89.02442	2.4
98.20644	4.1
101.02422	4.1
112.98530	1.8
113.02453	2.1
127.09509	1.8
132.80128	1.9
151.75815	1.6
171.10277	4.1
179.10744	4.7
197.09993	4.3
197.11821	82.7
198.12096	3.8
201.11288	2.5
241.10634	2.2
253.09340	2.3
277.21716	29.1
278.22015	6.2
679.38971	2.2
737.41071	100.0
738.41376	28.7
800.43439	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	799.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01376	3.6
61.98814	2.0
69.03455	0.6
69.37943	3.6
71.01376	3.7
73.02948	1.2
73.29685	0.6
73.85863	0.5
75.00840	0.8
81.03473	0.5
83.01368	0.7
83.05008	0.5
85.02948	1.9
87.00869	53.9
88.01204	0.7
89.02456	1.2
91.47270	0.5
93.03448	2.7
93.97847	0.5
95.05042	0.8
96.95979	0.7
97.06586	2.3
101.02468	0.8
105.03455	1.4
106.04278	0.6
107.05021	6.9
108.02160	1.1
111.00796	0.5
111.04505	1.3
113.02417	0.9
118.75816	0.6
119.05009	2.0
121.02949	11.2
122.03748	9.0
123.04537	1.3
124.01666	0.9
130.99857	29.3
132.02170	0.6
133.02913	0.9
134.03735	7.0
135.04526	2.4
137.02431	6.8
139.03986	1.8
145.03008	0.6
146.03711	0.8
147.04510	12.1
148.05341	3.4
149.02431	2.1
149.06059	1.8
149.09732	1.0
150.03168	0.5
154.02686	2.0
160.01607	2.0
161.02386	0.7
161.04652	0.6
161.06114	0.5
163.03976	5.6
164.04781	3.5
165.04005	0.6
165.05414	0.8
166.02681	1.2
173.04555	1.3
175.03960	3.4
175.07565	0.7
178.02591	0.6
190.02748	0.5
190.09891	0.6
191.03496	3.1
191.05356	0.9
191.10768	10.9
192.04257	4.5
192.11168	0.7
193.05009	3.2
194.02173	1.8
201.09155	1.2
209.02866	0.7
212.43256	0.5
219.10269	3.2
222.08855	0.6
235.06068	1.2
240.04173	1.3
254.04294	26.7
255.04845	0.7
261.11267	0.8
284.03189	12.5
285.03607	1.6
289.10876	0.8
291.08813	2.4
295.08191	0.8
299.05569	13.0
300.05948	0.9
312.42764	0.7
333.09634	0.8
351.10803	100.0
352.11172	9.8
401.78540	0.6
417.37759	0.6
447.16379	2.5
455.80981	0.6
462.95129	0.5
465.17041	0.7
499.14575	3.0
799.28949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01374	15.8
61.98828	2.7
69.03452	1.1
71.01382	11.6
72.99304	1.2
73.02941	7.6
83.01392	2.8
85.02951	7.5
87.00874	3.8
89.02422	3.2
93.03442	2.8
97.02933	1.3
99.00867	14.3
101.02444	7.1
109.02946	3.3
113.02454	9.9
119.04977	0.8
121.02959	1.0
123.00873	3.0
123.04517	1.2
124.01652	1.4
125.02415	2.9
127.76110	0.9
131.03529	1.1
135.04543	1.2
137.02423	10.8
138.03214	1.3
139.00375	1.6
139.04001	2.2
145.02911	3.1
147.04448	1.3
150.03156	0.9
151.00359	25.2
151.03995	2.3
152.01173	2.2
152.04784	2.6
159.04480	2.7
161.02412	2.8
161.04469	1.6
163.03999	1.6
164.04825	1.8
165.01836	1.3
165.05527	2.1
166.02696	80.9
167.03462	5.5
167.04741	1.0
173.02454	1.6
173.04483	2.2
175.04008	5.2
177.01886	3.7
177.05556	1.0
179.03528	1.2
179.07175	1.8
181.05049	100.0
182.05367	6.0
187.03954	1.9
190.06354	2.0
191.01979	1.4
191.03606	6.9
191.05423	5.9
192.04152	1.3
193.04999	2.7
200.04715	1.3
203.03546	1.9
204.04124	1.0
205.04991	5.1
205.08670	1.2
206.05772	3.8
207.06563	2.5
219.06532	1.9
220.07312	2.6
221.08171	6.3
233.08255	2.2
243.10168	1.0
267.07217	1.2
269.04413	1.1
270.05045	1.0
284.03278	1.2
341.10315	1.2
359.10852	1.2
369.09659	4.0
372.12009	2.4
384.11804	4.4
385.12531	1.0
387.10330	14.4
387.15384	7.6
388.11023	2.1
398.14124	1.0
399.14435	20.1
400.14948	2.9
402.13101	13.5
403.13678	3.2
417.15491	71.5
418.15833	11.6
420.34280	1.0
643.02704	1.0
663.22827	1.2
675.22687	3.5
693.23871	9.2
694.24213	2.3
711.24945	19.9
712.25244	4.5
723.24896	4.7
724.24658	1.1
735.25012	7.1
736.25305	2.0
753.25964	41.2
754.26190	8.3
797.18860	1.6
797.32690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.20206	0.2
66.74400	0.2
70.75546	0.4
72.21687	0.2
79.95731	0.2
80.96513	1.0
83.48206	0.2
94.98072	0.2
100.07653	0.2
102.11040	0.2
104.48920	0.1
164.98671	0.3
196.89467	0.2
225.00833	0.2
301.14621	0.2
331.09943	0.2
793.51605	0.9
794.52295	0.2
808.34003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.00577	1.2
59.01377	26.4
60.99288	0.5
61.98809	1.0
67.01863	0.9
68.99815	1.3
69.03437	0.6
69.33683	1.1
69.34100	2.1
71.01379	28.3
72.01727	0.6
72.99317	3.4
73.02938	2.6
75.00871	13.9
78.95889	0.8
79.74965	0.3
81.03420	0.5
83.01394	3.0
83.05016	0.4
85.02943	11.7
86.00067	0.4
86.03239	0.4
87.00876	7.6
88.98798	0.8
89.02440	11.5
93.03446	2.9
94.90604	0.4
95.01385	3.5
96.95997	1.1
97.02953	1.0
99.00875	12.1
101.02439	15.0
111.00854	1.1
111.04508	0.7
112.01609	0.5
112.04898	0.4
112.47424	0.3
113.02450	10.1
115.00344	0.8
115.03966	0.4
117.03451	0.4
117.24914	0.4
119.03503	2.6
119.05004	0.8
120.20117	0.4
125.02415	0.9
129.01932	1.0
129.97040	0.3
130.99870	0.9
131.03471	0.5
134.03709	0.5
135.04512	0.7
137.02394	1.7
138.06641	0.4
139.00308	0.8
143.03468	0.7
143.42018	0.4
145.02983	0.5
147.04483	1.6
149.02466	0.3
149.06068	0.9
155.03448	0.5
157.01393	1.4
159.04523	0.4
160.01669	0.6
161.02428	0.6
161.04507	1.3
163.03940	1.0
164.04713	0.7
165.04095	0.4
173.04512	2.0
173.05937	0.7
175.03969	1.3
175.07544	0.6
179.03394	0.4
185.05878	0.4
186.10266	0.4
187.03976	0.7
188.04686	0.7
189.01784	0.4
191.01903	0.5
191.05534	1.4
193.05013	0.9
201.05476	0.7
203.07132	0.5
205.03430	0.8
205.05132	0.6
217.08545	0.5
223.04543	1.5
229.08727	0.5
231.06479	0.4
265.14404	0.8
284.03186	1.3
285.04086	0.4
299.01785	0.4
299.05478	1.5
300.02728	0.5
455.35248	2.3
457.36743	1.0
525.39270	0.9
526.39459	0.4
751.38275	0.5
777.22870	0.5
791.42218	0.4
795.33551	3.6
795.45355	100.0
796.33447	0.9
796.45734	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	30.5
67.15907	9.9
69.24236	84.8
95.71719	8.3
104.95821	9.7
107.79128	7.9
114.36404	8.9
146.44501	8.6
209.11806	100.0
227.12785	14.0
230.61256	9.9
277.21735	89.9
278.22171	13.6
323.54227	10.2
377.99646	9.1
466.23242	10.1
502.95447	9.1
538.28864	10.6
643.41888	11.0
791.42847	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48895	0.1
59.01368	0.2
60.55645	0.1
61.98826	0.7
65.44753	0.1
71.01381	0.2
71.53707	0.3
73.02946	2.0
78.95891	0.1
79.03270	0.1
79.95737	0.1
80.96517	0.6
87.00864	0.1
87.26766	0.1
99.00890	0.4
99.92580	11.3
100.92573	0.6
114.93402	0.5
116.92857	100.0
116.97217	1.5
117.01934	2.8
117.92865	5.5
118.88126	0.1
144.30298	0.1
225.00806	0.2
245.40369	0.1
285.55353	0.1
343.55106	0.1
409.38815	0.1
450.48279	0.1
683.84296	0.1
793.51300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84185	0.1
59.01352	0.2
61.98818	0.4
63.67252	0.1
71.01382	0.1
73.02549	0.1
73.02942	2.0
75.00858	0.1
79.95724	0.1
80.96508	0.3
83.93083	0.1
85.02984	0.1
86.58666	0.1
87.00832	0.1
97.96361	0.1
98.20708	0.1
99.00877	0.3
99.92577	11.1
100.92593	0.5
100.93226	0.1
114.93415	0.5
116.92852	100.0
116.97193	1.3
117.01930	3.1
117.92857	5.2
131.91599	0.1
182.23158	0.1
245.56044	0.1
335.17685	0.1
397.13086	0.1
427.96841	0.1
588.58868	0.1
736.10773	0.1
793.51605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03436	2.4
59.01377	37.6
60.99305	2.1
61.98830	7.7
67.01899	1.1
68.94247	0.9
68.99821	1.4
69.03450	1.1
71.01382	31.4
71.54524	0.9
72.66416	0.9
72.99320	5.0
73.02952	8.6
75.00466	1.6
75.00869	16.2
78.95927	1.2
80.28121	1.0
83.01389	3.4
85.02946	20.8
87.00866	15.0
88.98811	13.1
89.02443	9.1
90.14876	0.9
93.03470	1.1
95.01397	4.7
96.96026	1.2
99.00879	10.0
99.04545	1.6
101.02445	8.8
103.00323	2.1
111.00905	1.1
113.02447	17.9
115.00368	1.2
116.92822	1.8
117.01959	2.8
119.05011	1.2
125.02411	1.2
147.04510	1.9
150.32352	1.0
157.01422	1.0
163.04041	1.1
165.99078	2.1
175.02412	1.8
176.07703	0.9
191.05580	1.4
201.09221	1.0
205.11322	0.9
209.11896	1.1
211.07724	1.0
223.16975	1.5
249.06152	6.0
256.15570	0.9
267.07022	1.6
272.43274	1.0
277.21777	3.6
295.19803	0.9
295.22574	5.2
299.05685	2.0
314.03793	1.0
315.05087	1.5
339.15701	1.0
346.06778	1.2
439.26810	2.1
457.28244	7.3
488.89050	1.0
499.29422	1.8
516.38556	1.1
731.34338	1.4
749.35962	100.0
750.36157	20.5
793.44092	4.9
794.44934	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	793.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16653	1.7
59.01371	14.7
61.98823	4.1
70.08273	6.7
71.01384	22.6
73.02946	3.0
78.95887	1.7
79.95721	1.6
82.72279	1.6
85.02935	2.4
86.64631	1.5
87.00877	2.3
87.07458	1.6
89.02426	4.9
97.02962	2.0
98.19852	1.7
99.00871	3.4
101.02434	5.6
109.06582	4.2
113.02443	2.5
121.02959	2.3
123.00906	1.7
125.09708	3.1
127.11266	2.3
149.04533	2.7
151.00420	2.5
151.03932	3.0
161.04524	2.9
163.11235	2.9
165.09171	1.8
171.10249	26.8
179.05431	2.5
181.12364	4.1
189.05408	1.5
199.09721	27.5
199.13399	4.9
201.11295	35.2
202.11713	2.1
207.10217	19.0
213.74509	1.7
225.11298	23.4
235.08167	9.7
243.12263	2.0
243.74924	1.3
253.09265	15.1
277.21701	100.0
278.22040	11.2
339.86270	1.5
380.39081	1.4
407.19122	1.7
417.17337	1.7
435.18661	6.7
443.19016	1.8
461.19998	5.6
479.21466	2.1
513.30255	1.9
695.40289	8.5
696.40741	1.9
721.41608	9.4
722.42029	3.4
739.43158	7.2
757.43762	13.9
758.43622	3.1
793.51794	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	793.4377
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03431	1.8
58.00577	1.3
59.01377	26.4
60.99289	0.6
61.98829	3.7
62.15825	0.4
65.70515	0.5
67.01871	0.6
68.99800	1.8
69.03446	0.8
69.88645	1.2
69.89039	0.9
71.01377	26.9
72.99326	2.3
73.02550	0.4
73.02935	3.3
75.00868	14.7
83.01390	2.9
85.02452	0.9
85.02945	12.2
87.00871	6.5
88.01198	0.5
88.98801	1.4
89.02441	12.6
93.03445	0.6
95.01369	4.9
96.95988	0.9
97.02927	1.0
99.00873	12.0
101.02441	13.4
111.00812	1.0
112.01615	0.7
113.01715	0.9
113.02446	11.2
113.33231	0.4
113.95242	0.5
114.02711	0.7
116.92871	0.5
117.03500	0.5
119.03487	2.6
125.02452	0.6
129.01938	0.7
130.99840	0.6
131.03459	0.7
131.04427	0.6
137.02466	0.8
144.04018	0.5
157.01366	1.3
158.92902	0.4
161.04527	1.6
161.05801	0.5
162.03159	0.7
163.04050	1.0
165.99083	0.6
173.04558	0.6
190.02722	2.3
191.03479	1.4
209.11885	0.5
217.08559	0.5
222.01503	0.6
262.38519	0.5
284.03281	0.8
299.05554	0.9
453.33902	2.6
523.37567	1.8
524.38544	0.7
613.36963	0.5
749.35394	6.1
750.35931	0.8
793.43713	100.0
794.44092	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
57.03427	1.5
58.00589	1.5
59.01376	26.8
61.98833	4.2
68.99805	1.6
71.01378	27.3
72.01713	0.6
72.99298	2.0
73.02930	1.8
75.00872	11.0
76.53624	0.5
83.01381	3.5
85.02942	10.4
87.00864	4.7
88.98798	2.7
89.02446	13.0
92.76186	0.6
94.85122	0.5
95.01373	5.4
96.95974	0.9
97.02940	1.4
99.00875	14.5
100.28905	0.5
101.02444	15.0
111.00843	0.6
113.02444	10.0
116.92883	1.1
119.03513	2.4
129.01917	0.6
136.89180	1.0
139.00383	0.7
157.01419	1.1
161.04550	1.3
171.10271	1.3
174.36977	0.6
179.05678	0.7
209.11798	0.9
264.09885	0.5
277.49295	0.7
294.69363	0.6
328.88745	0.6
341.22955	0.7
451.32260	4.4
452.32751	0.8
521.36310	2.1
791.42163	100.0
792.42426	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03432	2.9
59.01377	34.6
61.98838	4.0
67.01858	0.7
69.03438	1.3
71.01378	26.0
71.54434	1.1
72.99303	6.3
73.02945	10.7
75.00869	13.8
81.03450	0.7
81.71338	0.9
85.02454	1.3
85.02946	19.0
87.00875	10.8
89.02441	7.5
93.03459	1.0
95.01382	3.6
96.95985	2.3
97.02918	1.5
99.00881	9.7
101.02434	9.4
103.00348	1.8
113.02444	15.8
114.47923	0.6
115.00384	0.8
116.92868	5.5
117.01922	2.2
119.03549	1.0
125.02435	1.2
130.99838	1.1
131.03499	1.1
137.02385	1.5
145.02928	1.0
147.04469	0.8
162.03119	0.7
173.04538	1.7
173.06010	0.9
175.02444	1.9
205.05112	0.9
209.11781	1.2
213.38622	0.7
223.17014	1.2
235.61507	0.8
249.06165	4.6
267.07193	1.9
270.27969	0.8
275.20203	4.6
277.21625	1.6
284.03287	1.3
293.21127	3.3
299.05731	1.3
437.25485	1.5
437.71457	0.7
455.26688	5.1
497.27380	2.7
643.73651	0.8
705.33179	1.3
729.33301	1.4
747.34387	100.0
748.34680	21.4
791.40747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.0
62.61655	0.2
68.60248	0.2
69.18478	1.8
71.01369	2.5
73.02944	3.7
75.00853	0.2
75.90022	0.2
83.01384	1.4
85.02946	0.7
87.00871	0.6
89.02448	0.7
89.03966	1.1
96.95969	0.3
97.06588	1.6
101.02437	3.8
113.02429	1.6
117.03454	20.1
118.03796	0.7
119.03484	0.9
119.05004	0.5
125.02473	0.2
130.04248	1.5
131.03528	0.3
131.05014	3.7
132.05409	0.3
137.02467	0.2
143.03502	0.5
143.04988	0.4
145.02939	100.0
146.03702	7.9
147.04314	0.3
149.04546	1.0
149.05971	0.2
150.03154	0.3
156.05815	1.1
157.06575	0.7
159.04488	1.0
160.01657	0.5
160.05219	0.8
161.04581	1.4
165.01895	0.6
165.04073	0.3
165.05455	0.4
171.04472	0.3
171.08176	1.5
172.05309	1.5
173.04474	0.3
173.05858	0.2
174.03241	0.5
175.03964	0.6
181.05095	0.3
185.06020	1.6
186.06834	1.0
187.11176	0.4
190.02664	0.4
195.04439	0.2
197.09726	0.4
199.07610	0.7
200.04745	1.6
204.53241	0.2
214.10040	0.2
215.10713	5.6
216.11104	0.6
221.06691	0.4
225.09047	0.5
241.08650	0.8
243.10220	51.3
244.10541	5.0
273.93997	0.2
284.03192	0.3
287.09183	3.6
288.09695	0.3
299.05573	0.2
304.70868	0.2
331.08179	31.9
332.08499	3.4
565.26202	0.5
782.79059	0.3
791.25824	0.5
817.52130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68101	0.4
59.01366	0.6
61.98827	74.0
63.02403	1.3
65.00330	0.7
78.51139	0.4
83.01389	0.7
87.00864	0.6
91.39282	0.4
107.01410	1.5
114.70139	0.4
118.48273	0.4
128.41246	0.4
134.03720	0.6
135.00880	0.8
149.06059	0.5
151.00360	3.8
159.04433	0.5
161.63091	0.4
163.00363	1.0
178.02763	0.5
178.99896	1.1
182.95287	0.4
185.06009	0.5
187.03973	0.9
189.05702	0.4
193.05064	1.1
211.04025	1.5
213.05490	0.7
227.03470	29.1
228.03888	2.8
229.05070	3.3
239.03470	0.9
255.02966	58.7
256.03522	7.4
257.04504	2.9
283.02524	1.8
284.03238	100.0
285.03937	32.3
286.04459	1.9
327.05164	0.7
341.53918	0.4
389.93802	0.4
506.53656	0.5
575.14050	0.5
725.19305	84.1
726.19678	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	789.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65332	0.3
58.00595	0.8
59.01377	40.8
60.01708	0.4
67.35300	0.4
69.61938	2.2
69.89517	0.3
71.01378	9.6
72.99300	1.1
73.02942	0.4
83.01379	0.7
85.02937	2.6
87.00867	1.1
89.02441	9.8
93.03408	1.9
95.01373	0.6
97.77090	0.3
101.02440	6.9
101.03091	0.4
109.06522	0.5
109.77946	0.3
111.00874	0.4
113.02431	4.0
119.03511	3.9
121.02933	0.8
123.00814	0.6
134.03758	2.8
135.04472	0.4
137.02437	0.8
137.65408	0.3
138.03212	0.7
147.04572	0.5
149.02420	3.0
149.06039	1.1
150.02840	0.7
152.01146	0.6
153.05579	0.8
155.03499	0.3
163.04057	0.6
163.11276	4.1
164.04816	2.1
165.05357	0.5
173.04547	2.3
178.02737	1.9
179.07135	0.8
180.07385	0.4
191.01923	0.3
191.05565	0.6
193.01433	1.5
193.03297	0.7
193.05019	6.2
194.01787	0.5
194.05354	0.5
207.08386	0.5
207.10258	8.5
208.03729	2.9
209.04185	0.8
223.04170	0.3
223.06084	8.8
224.06459	3.9
225.06502	1.8
327.08673	0.6
340.96228	0.5
369.09497	0.8
385.11414	1.5
386.11646	1.0
387.16571	100.0
388.12115	0.7
388.16898	9.2
401.14139	0.4
534.96680	0.4
638.24432	0.4
789.25037	1.2
790.24048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63860	0.2
61.98826	100.0
62.98527	0.2
62.99248	0.2
63.99249	0.4
69.17455	1.8
71.01421	0.2
78.95921	0.4
80.96491	0.8
90.14729	0.1
94.98121	0.2
108.90996	0.2
116.92871	0.4
122.10443	0.2
187.19969	0.2
277.21671	0.3
278.22070	0.5
474.83804	0.2
633.65387	0.2
786.39099	0.3
787.39642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98523	0.2
69.75198	0.5
80.96501	0.1
98.19898	0.2
99.46369	0.1
162.34396	0.1
193.72121	0.1
209.11893	0.2
270.11475	0.1
277.21805	0.3
278.22119	0.3
372.44958	0.1
787.40143	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91648	0.1
61.98827	100.0
62.05874	0.0
62.98535	0.2
62.99257	0.1
64.58908	0.0
71.01430	0.1
78.95914	0.1
80.96500	0.1
98.20756	0.1
113.93669	0.0
209.11838	0.2
210.12236	0.1
211.12386	0.0
216.87868	0.0
221.64745	0.0
277.21906	0.1
278.22272	0.1
279.22339	0.1
281.29889	0.0
380.49088	0.1
386.76740	0.0
787.39630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14763	0.8
57.03449	1.3
59.01378	16.9
61.98832	9.2
67.01888	1.5
69.03463	0.9
71.01379	9.9
71.54620	1.7
72.99313	1.2
73.02941	4.2
75.00858	1.9
81.03439	1.7
83.01381	1.9
83.04986	0.9
85.02952	5.7
87.00866	6.3
89.02438	5.2
92.77506	0.9
93.03451	9.7
95.01385	2.5
95.08447	0.8
96.95982	1.8
97.06614	0.9
101.02471	5.7
108.02184	1.9
109.02962	1.4
111.04504	0.9
113.02451	5.7
117.03456	0.8
119.03485	2.2
119.05032	1.9
121.02954	16.2
122.03733	14.3
123.00855	1.7
123.04504	2.0
124.01633	2.1
125.02442	17.9
130.99820	2.2
132.02144	1.5
133.02902	2.1
134.03732	4.3
135.04507	8.7
136.01659	22.3
137.02481	5.8
139.04008	1.2
143.03598	1.0
145.02930	2.4
147.04553	5.2
147.38721	0.8
148.05228	1.3
149.01285	1.7
149.02443	31.0
149.06035	2.7
150.03224	99.3
151.00377	6.5
151.04019	31.5
152.01088	1.7
152.04459	1.4
154.02647	1.2
155.03429	1.3
159.04547	1.2
161.02411	1.9
161.04539	1.8
162.03229	1.5
163.03990	4.8
164.04797	7.4
165.05562	100.0
166.02715	20.0
166.05878	3.8
167.03502	5.2
173.04556	4.9
173.05945	1.0
175.04007	6.3
177.01892	2.1
177.05438	2.5
179.03467	1.9
179.05479	0.9
180.04288	6.5
181.05058	22.0
181.56000	0.8
189.05522	3.1
190.06349	6.0
191.03529	1.9
191.05580	3.5
193.05011	3.4
195.06613	63.8
196.06877	2.8
200.43402	1.1
205.05025	2.0
205.08769	0.9
207.06757	1.2
221.08083	1.1
223.06139	1.0
227.03473	3.0
229.03474	1.3
255.02876	4.2
255.05209	1.5
266.05887	0.9
269.04440	1.0
282.05362	1.7
283.02469	2.1
284.03268	10.7
285.03778	2.3
297.07932	1.2
298.04889	1.8
299.05679	5.7
299.08594	1.2
315.08563	1.9
329.10281	2.4
339.08536	1.2
351.10825	2.7
355.06747	2.0
356.12634	2.2
357.09683	4.9
357.13428	10.1
358.13858	1.0
367.09845	1.1
369.12921	2.6
372.12158	6.3
373.12650	1.9
386.13828	1.3
387.14471	64.8
388.14777	8.8
439.19791	4.9
440.19855	1.2
490.16183	1.3
493.04874	0.9
493.11246	5.3
505.18539	2.7
521.21893	1.6
535.19690	58.2
536.19965	9.1
536.67163	0.9
553.20911	1.8
561.23431	1.2
565.20361	3.5
583.21783	43.7
584.22119	9.0
601.25189	1.7
683.40161	1.1
725.16748	5.8
787.37885	5.4
788.37549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98527	0.3
70.84196	0.1
70.84503	0.1
80.96513	0.3
99.92606	0.1
116.92865	0.6
277.21698	0.2
278.22284	0.2
568.68713	0.1
745.82587	0.1
784.42645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03439	2.8
58.00567	0.7
59.01377	25.5
61.98829	3.2
67.01870	1.1
68.99815	1.4
69.03448	2.0
69.71568	1.2
69.71982	1.5
71.01381	18.7
72.99313	5.5
73.02937	3.1
75.00867	14.5
78.95895	0.5
83.01368	2.6
85.02949	20.1
87.00873	10.4
89.02443	4.7
93.03472	2.7
93.03938	0.5
95.01397	4.3
96.95988	0.6
97.02952	0.8
99.00871	8.7
101.02435	4.5
103.00362	1.3
108.02168	0.5
109.02977	0.6
111.00887	1.4
113.02449	15.1
115.00349	1.8
115.21772	0.5
117.01920	1.6
117.03453	0.4
119.03484	0.7
119.04973	1.0
121.02898	1.1
123.04514	1.1
125.02432	1.9
129.01917	1.5
130.99834	0.8
131.03427	0.7
134.03780	0.7
135.04558	0.6
137.02440	0.9
145.02930	0.5
147.04547	1.0
149.04524	0.7
149.06102	0.7
150.03227	0.6
157.01454	0.6
161.02470	1.2
163.03984	1.3
164.04726	0.6
165.04112	0.7
173.04510	2.0
175.02455	2.1
175.03880	0.9
179.03450	1.1
191.03522	0.7
191.05644	1.2
192.04088	0.6
193.04994	0.9
209.08191	0.5
209.49210	0.5
227.03484	0.7
231.05020	0.9
249.06117	5.6
255.02867	1.0
267.07141	1.6
268.03717	0.5
269.21039	1.0
271.02530	0.5
284.03159	2.0
285.03720	0.7
287.22278	13.1
288.22540	1.3
290.54590	0.5
299.05518	1.4
300.02744	1.1
315.05078	0.7
322.52695	0.5
331.08124	0.5
344.16586	0.5
431.26477	9.3
432.26694	0.7
449.27545	18.3
450.27676	2.7
491.28568	2.3
537.34210	1.0
637.32019	0.5
699.34607	1.6
723.34637	1.6
741.35468	100.0
742.35754	21.8
742.49158	1.1
785.38043	2.5
786.35370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.1
61.98829	100.0
62.98532	0.2
71.01379	0.1
71.52798	0.1
78.05260	0.1
79.95763	0.1
80.96503	0.6
83.04980	0.1
97.81030	0.1
101.02478	0.1
116.65517	0.1
124.63376	0.1
164.98589	0.1
207.10226	0.1
209.11862	1.0
210.12254	0.4
225.00694	0.1
225.11279	0.2
226.11653	0.1
227.12956	0.2
239.83057	0.1
253.09229	0.2
277.21695	1.1
278.22104	0.7
280.69092	0.1
346.30368	0.1
442.96976	0.1
463.21262	0.1
582.14636	0.1
724.42926	0.1
784.42072	0.5
785.39667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98531	0.2
70.84258	0.1
70.84592	0.1
80.96520	0.5
82.00498	0.1
98.87762	0.1
105.15687	0.1
116.38808	0.1
116.92834	0.2
124.77337	0.1
130.08717	0.1
140.64363	0.1
194.42346	0.1
207.10324	0.1
208.10597	0.2
225.00749	0.3
252.01575	0.1
277.21848	0.1
278.22250	0.1
443.14603	0.1
468.71863	0.1
492.04776	0.1
784.42316	0.6
785.42084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30980	1.3
68.99815	3.6
69.38161	1.2
78.95911	2.1
79.05538	2.2
80.96491	3.2
82.51151	1.4
87.11180	1.5
91.05537	11.3
92.60587	1.3
93.03434	2.1
95.05020	5.7
97.23205	1.2
98.20767	2.7
103.05543	6.4
105.03465	11.2
108.02174	3.8
119.05013	14.7
121.02950	11.8
129.03433	5.4
137.02441	13.4
138.02805	1.3
139.03979	4.6
140.18140	1.2
142.16467	1.4
145.02927	4.0
146.03773	3.4
147.04517	100.0
148.05307	18.9
149.06030	4.0
158.47726	1.6
163.03932	1.4
183.13893	1.6
191.03484	22.0
191.69318	1.5
192.04268	15.4
193.04831	2.2
211.13380	11.1
229.27632	2.1
236.03189	3.3
251.25157	1.3
257.15524	1.5
261.26196	1.4
279.23343	12.9
313.18140	3.7
341.17313	2.2
385.16339	1.6
403.17535	1.8
477.21451	2.1
537.06299	1.6
739.44330	8.1
740.44177	2.0
783.43103	53.3
784.43390	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	783.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
58.00606	0.2
59.01378	2.7
60.41821	0.2
61.98829	3.3
69.03468	0.2
71.01378	2.3
71.53513	0.2
72.99306	0.3
73.02937	0.5
78.95889	0.3
80.02684	1.1
81.03456	0.9
83.01378	0.5
83.05025	3.9
84.02165	0.6
85.02956	0.5
87.00884	0.5
89.02450	2.0
95.01366	0.2
95.04995	0.3
101.02434	2.1
109.06576	0.4
113.02467	1.2
119.03522	0.6
125.06118	0.3
125.09734	0.2
135.08159	0.5
146.86234	0.2
147.11826	0.2
157.05022	0.2
161.04550	0.8
163.11299	2.7
164.11575	0.2
165.12836	1.8
166.13203	0.2
170.58354	0.2
179.05591	0.6
181.12341	0.7
191.10786	0.7
209.11812	100.0
210.12160	7.0
227.12875	13.6
228.13191	1.2
233.22737	0.3
235.08180	1.5
250.84674	0.2
253.09261	7.2
254.09654	0.4
277.21701	51.3
278.22055	5.2
445.20731	2.6
446.21295	0.2
463.21866	0.5
513.30573	0.2
697.72894	0.2
723.42670	0.3
771.46594	0.2
793.16357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.7
59.89696	0.4
61.98829	3.4
71.01028	0.6
71.01368	3.2
73.02934	0.9
81.03432	1.1
83.05014	3.4
85.02969	1.2
87.00890	1.0
89.02454	2.1
101.02438	3.4
103.67203	0.6
113.02459	1.2
128.95367	0.4
145.05054	0.7
160.84508	0.5
161.04585	1.2
163.11290	2.3
165.12814	1.5
179.05453	0.6
191.10779	0.8
195.60535	0.5
208.10406	0.4
209.11810	81.8
210.12148	5.6
227.12875	10.9
228.13182	1.0
235.08215	6.2
253.09288	9.4
259.20813	0.6
277.21698	100.0
278.22064	10.9
317.79993	0.5
445.20670	1.3
498.91379	0.5
513.30396	1.0
539.01434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.6
69.55061	8.1
71.01386	11.4
78.95898	28.9
83.69441	1.3
85.02946	5.9
89.02456	5.2
93.03440	2.1
96.96017	3.0
96.96962	19.0
99.00835	1.8
101.02435	3.1
109.02954	2.1
119.03513	1.5
119.05036	2.2
121.02944	5.3
123.00919	2.7
124.01619	1.4
125.02393	2.2
127.44556	1.3
131.16051	1.3
134.03699	2.1
135.03049	1.3
135.04491	2.7
137.02432	5.7
138.03224	5.0
139.03969	2.6
143.04993	1.6
145.02921	2.2
146.03720	3.4
147.04535	6.9
149.02452	2.2
149.06134	1.5
151.04147	1.7
152.04778	1.5
153.05545	5.0
159.04498	33.0
160.05309	7.5
161.02428	2.7
161.06058	11.6
163.04071	3.0
172.05162	2.0
173.02415	4.6
173.04579	3.5
173.06007	19.9
174.03236	2.4
175.03981	3.2
180.99055	2.8
187.04025	5.6
191.03458	3.1
191.05624	5.5
193.05066	1.5
199.03941	4.7
201.05624	1.5
203.03532	3.4
203.07216	1.5
205.05165	2.1
217.01370	4.5
223.07701	1.7
229.01337	2.8
230.02026	2.3
239.07011	3.1
249.05515	5.5
249.07751	1.8
250.06725	1.6
251.07072	11.5
252.07895	1.8
253.04979	2.1
265.05148	1.7
267.06726	5.3
269.04791	1.6
271.06174	2.7
277.05023	22.7
277.07883	2.6
278.05554	6.3
279.06631	10.2
280.07224	3.3
281.04642	3.0
281.08115	1.6
282.05243	4.2
286.08688	1.6
293.04547	5.6
293.07669	1.7
294.05344	7.2
295.06046	13.8
296.06680	5.9
297.07629	15.3
305.04434	10.6
306.05316	3.1
307.06244	3.2
307.69351	1.7
308.06738	2.3
309.07477	1.9
310.08377	7.0
311.09088	6.8
312.09909	12.0
319.06189	2.0
319.30579	1.5
321.03976	3.3
322.04901	14.4
322.08347	3.0
323.05560	25.8
323.09244	2.6
324.06021	3.6
325.07428	2.5
325.10782	10.4
326.11371	2.4
327.08710	2.1
327.12369	23.3
328.12555	2.8
331.11630	1.7
336.06161	1.8
337.07114	17.9
338.07904	26.6
339.08371	4.3
346.05481	7.3
351.08771	12.3
352.09238	2.8
353.10275	63.1
354.10684	6.0
369.09702	2.7
371.11261	7.1
374.01660	1.7
379.08176	2.9
397.09097	13.0
398.09723	1.5
408.04953	1.4
413.12308	9.9
414.12790	2.2
415.10373	5.7
423.07242	9.8
424.07523	2.1
437.08609	9.9
439.10425	2.0
443.13385	2.6
457.11465	4.7
473.14468	5.5
483.09366	3.6
487.12482	2.3
513.10187	4.1
517.13354	5.8
543.11322	7.8
544.11682	2.0
559.14642	2.3
577.15851	1.7
603.13751	4.0
621.14636	17.0
622.14801	3.7
695.21979	6.0
719.17987	1.7
721.20203	2.0
739.21045	15.9
740.21436	2.6
765.18848	18.1
766.18903	4.2
783.19879	100.0
784.20465	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	781.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01377	15.2
61.98829	5.3
62.28574	0.5
69.87139	0.5
71.01381	5.1
71.05005	0.6
73.02943	1.2
80.96521	1.4
83.01389	0.8
85.02979	1.2
87.00848	1.4
89.02444	1.3
91.11256	0.5
93.14858	0.4
97.02940	6.2
97.06574	1.1
98.19906	1.9
99.00870	9.9
101.02434	4.0
107.32404	0.5
109.06589	3.5
110.03729	1.6
113.02446	2.0
125.02435	0.8
125.09720	2.4
130.04547	0.5
135.08173	0.9
136.05283	0.9
140.24155	0.4
142.02692	2.6
145.10222	0.6
161.04539	1.1
161.09641	0.9
163.11270	8.9
179.10750	0.5
181.12326	15.1
182.12741	0.9
197.11923	0.7
199.13344	1.3
207.10243	51.6
208.10614	2.5
225.11304	100.0
226.11667	7.4
229.36398	0.6
235.08250	2.1
243.12340	11.3
243.14674	0.8
244.12703	1.1
253.09209	2.9
264.50708	0.5
277.21698	91.0
278.22046	8.8
299.14890	1.0
317.16098	1.2
363.68942	0.5
443.19302	4.2
444.19321	0.5
461.20270	42.3
462.20587	4.8
577.37781	0.7
721.41583	32.1
722.42157	6.5
781.40509	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	782.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18245	0.1
59.01365	0.1
60.51797	0.1
61.98827	100.0
62.05945	0.1
62.98524	0.1
63.30209	0.1
65.99825	0.1
69.03487	0.1
71.01379	0.2
73.05692	0.1
78.95905	1.2
78.98586	0.1
79.95738	0.2
80.14751	0.1
80.96510	1.5
83.05033	0.2
94.98083	0.3
95.19268	0.1
96.96952	0.3
119.78149	0.1
148.99182	0.1
152.99612	0.3
164.98634	0.3
209.11807	0.8
210.12262	0.4
223.13420	0.2
224.13821	0.2
225.00764	0.4
225.13948	0.1
228.13152	0.1
234.85382	0.1
241.01193	0.6
242.01807	0.1
255.23363	0.5
256.23560	0.2
264.83856	0.1
277.21780	0.3
278.22012	0.2
297.14853	0.2
341.17407	0.2
764.39484	0.3
782.41437	3.6
783.41809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01376	6.0
61.98827	3.3
65.00342	0.5
67.01884	0.5
68.99823	1.4
69.34772	1.1
69.35174	3.4
71.01379	3.5
73.02933	0.6
75.00862	0.9
79.05544	1.8
85.02946	5.3
87.00874	2.7
88.98798	0.5
89.02458	2.1
91.05540	5.5
93.03468	3.3
95.05011	3.4
96.96025	0.8
97.06594	2.9
98.04917	0.4
98.20681	0.9
99.00872	1.0
101.02446	1.0
102.04790	0.6
103.05532	4.2
105.03459	7.4
107.05025	1.1
108.02183	2.0
109.02990	0.9
111.00912	0.9
112.05336	0.6
112.98581	1.2
113.02488	1.2
117.03444	1.3
119.05020	8.1
121.02949	9.1
121.03757	0.8
122.03757	2.6
125.02395	0.6
129.01933	0.8
129.03490	2.4
130.04216	0.6
131.05032	1.9
132.05371	0.6
133.02946	1.2
134.03755	0.8
135.04532	4.7
137.02438	19.1
138.02791	1.0
139.04010	6.2
145.02942	3.7
146.03775	8.4
147.04521	91.1
148.05338	16.3
149.04680	0.6
149.06013	1.9
150.03250	1.1
152.01054	0.5
159.04532	1.6
161.02428	5.8
163.04012	2.0
164.04749	1.3
165.02020	0.6
165.04001	0.7
165.05620	0.8
172.05333	0.5
173.02422	0.5
173.04518	2.1
173.05946	0.8
175.04045	0.8
176.04823	2.8
179.03506	5.0
179.05089	0.6
187.07538	0.5
189.01945	1.0
190.02542	0.7
191.02028	1.0
191.03505	17.4
191.05515	1.7
192.04277	15.8
193.04918	2.3
198.80838	0.5
200.04874	0.9
201.09229	1.2
205.05034	0.6
207.03154	0.8
209.03047	3.4
210.03412	0.6
212.08418	0.6
223.17059	1.4
224.03343	0.6
225.09212	0.6
227.07162	0.5
227.10817	0.7
234.01637	4.8
235.02036	2.1
236.02057	1.2
243.10281	1.2
244.10712	1.1
245.11708	1.5
255.02831	0.6
284.03165	1.4
289.10764	6.4
299.05685	1.6
331.08188	1.5
332.08618	1.3
333.09778	100.0
334.10117	10.5
341.08838	1.0
404.34821	0.6
409.07986	0.9
447.16458	3.1
448.16467	0.6
563.34088	1.0
781.31116	4.8
781.83661	0.8
782.31573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4047
Annotation	Withanoside VI
Peak:m/z	Relative Intensity
58.08959	2.1
60.86408	2.2
61.98817	7.9
63.96244	2.0
64.32442	1.9
71.01380	9.6
71.15197	2.1
71.53106	2.1
73.02949	2.4
78.95895	10.5
78.98599	9.6
79.95731	17.0
80.96516	95.8
81.85605	1.9
85.17609	2.2
87.00858	5.3
94.98087	20.1
101.02435	2.5
106.98059	2.4
116.48824	2.0
122.97514	2.2
125.02461	4.5
134.97542	8.6
136.99026	2.5
143.85684	1.8
147.04608	2.0
148.99098	7.7
152.98576	4.2
164.98627	13.9
206.99767	2.3
209.11783	5.2
225.00768	27.8
226.00969	1.9
241.01181	2.6
255.23137	6.0
462.37369	1.9
763.39398	28.2
764.39502	5.8
781.40479	100.0
782.41150	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4583
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
54.66352	0.2
55.01863	0.8
55.36851	0.2
57.03444	1.5
58.00579	0.8
59.01376	24.4
59.80785	0.2
61.98815	0.7
67.01890	0.4
68.99818	1.7
69.03446	0.3
69.34224	0.2
69.91686	0.2
71.01378	23.4
71.23779	0.5
72.01743	0.3
72.31341	0.2
72.99306	2.1
73.02944	2.0
74.73478	0.2
75.00870	12.5
83.01382	3.0
85.02946	9.1
86.00100	0.4
87.00875	4.2
89.02441	11.0
90.02787	0.2
95.01380	4.9
97.02947	0.4
97.06553	0.2
99.00875	10.6
100.01202	0.3
101.02436	13.2
111.00870	0.7
112.01683	0.4
113.02449	9.1
113.87858	0.2
114.02776	0.3
115.00337	0.6
116.92807	0.2
119.03486	2.4
129.01915	0.4
130.99814	0.5
131.03464	0.4
139.00404	0.5
143.03500	0.2
147.04460	0.2
149.04570	0.2
157.01459	1.2
161.04558	1.3
227.03448	0.2
271.02515	0.4
289.27701	0.2
298.01038	0.2
299.02081	0.3
300.02789	0.8
304.08447	0.2
314.04315	0.6
315.05127	0.8
316.05676	0.2
423.32321	0.4
439.35733	3.4
440.36075	0.6
446.15799	0.4
464.16663	1.1
509.39896	2.4
581.38428	0.3
599.39838	0.5
632.88123	0.2
761.21307	0.6
779.45795	100.0
780.46130	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	779.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.6
61.98826	4.5
69.03442	2.2
69.66293	0.6
71.01366	3.8
71.05011	1.0
71.53107	0.7
71.53509	0.8
75.34504	0.6
78.95898	3.3
80.96501	2.3
85.02941	1.2
87.00876	0.8
88.82040	0.6
89.02432	2.2
94.98096	0.6
98.00205	0.6
101.02435	2.3
109.06579	1.4
109.56779	0.7
113.02406	1.9
116.92813	1.0
119.03542	0.7
149.09735	0.6
161.04564	1.1
163.11317	0.8
167.10742	3.3
179.10780	1.3
179.14359	2.7
195.13887	8.9
205.10551	0.9
205.12320	10.9
207.10336	1.7
223.13374	100.0
224.13744	6.9
225.00755	1.0
235.08177	2.0
241.01183	1.1
253.09245	9.4
255.23280	2.2
277.21698	68.3
278.22003	6.5
441.21130	3.0
459.22321	18.9
460.22696	2.7
497.15430	0.7
647.02869	0.7
656.55359	0.7
699.04559	0.7
719.43756	3.7
779.39368	9.2
780.39703	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	777.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03442	1.0
59.01375	20.9
61.98837	4.1
68.99819	1.2
70.09046	1.2
70.09438	1.1
71.01374	21.0
72.28950	0.7
72.99297	1.5
73.02929	1.3
75.00868	11.4
83.01370	2.8
85.02950	9.8
87.00881	3.7
89.02446	9.0
93.47826	0.7
95.01383	4.3
99.00874	9.9
101.02449	11.7
113.02450	8.5
119.03493	2.4
133.80383	0.7
139.00429	0.7
157.01460	1.6
179.05698	0.7
278.75317	0.7
421.30698	0.7
437.34015	3.1
464.58234	0.8
507.38428	1.0
675.93933	0.7
777.44232	100.0
778.44617	26.6
800.77509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.2
61.98829	100.0
62.98528	0.2
65.08646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01378	4.3
61.98827	1.8
65.30278	0.4
69.03445	0.6
71.01389	2.6
71.54566	0.6
72.83448	0.4
73.02969	1.2
75.00876	0.9
80.99806	0.5
83.01373	0.6
83.05027	0.6
85.02952	1.9
87.00871	3.4
87.90441	0.4
89.02453	0.7
89.03994	1.0
93.03464	1.1
96.96027	1.0
97.06582	9.7
101.02433	0.9
103.05547	0.7
108.02188	1.3
109.02934	0.8
111.00864	0.5
113.02444	1.0
117.03462	8.6
118.03809	0.4
119.05022	1.3
121.02995	0.7
122.03716	0.6
122.09779	0.4
125.02472	0.7
127.00366	0.7
129.01917	0.5
130.04245	5.8
131.05023	21.0
132.05354	1.0
133.03008	0.6
134.03706	0.9
135.04543	0.4
137.02446	0.8
142.05122	0.4
143.05005	0.5
144.05774	0.7
145.02945	32.3
145.06544	0.7
146.03731	100.0
147.04227	4.2
149.02425	1.1
150.03223	0.5
151.00311	0.6
155.03436	0.6
157.02913	0.9
158.03745	1.3
159.04498	18.5
160.01692	0.5
160.04826	0.7
161.02425	1.6
162.03160	0.5
163.03964	1.1
165.04050	0.8
165.05493	0.7
165.99046	1.0
172.05249	1.9
173.02417	5.0
173.04573	1.0
173.06001	0.9
174.03131	0.6
175.03969	1.8
176.01201	0.7
177.01903	0.5
183.04529	1.3
185.06079	0.8
185.09650	0.5
186.06787	1.0
187.07578	2.7
188.01096	0.8
189.01923	6.8
190.02681	6.3
190.99850	0.8
191.03401	0.6
191.05637	0.8
195.04527	0.4
195.06612	0.4
196.05318	1.7
197.09711	1.3
199.07649	1.8
200.04788	3.2
201.09068	0.8
203.07133	1.4
205.01483	0.6
209.11922	0.4
211.07607	0.5
212.08421	11.3
213.05667	0.5
213.09081	3.1
214.06296	1.3
214.09981	1.5
215.07140	1.0
215.10732	3.7
216.00510	0.5
223.07626	0.7
224.08513	0.5
225.09195	10.2
226.09552	1.3
227.07234	0.8
229.08551	0.7
234.01678	73.3
235.02020	4.4
241.08595	1.4
243.10243	18.6
244.10518	1.7
269.08350	2.0
284.03201	1.8
285.03726	1.0
287.09274	3.7
293.12674	0.6
297.15002	0.6
299.05634	1.2
313.06989	0.5
314.04297	0.4
318.53296	0.5
331.08200	31.7
332.08569	3.8
333.09937	0.5
445.15204	0.8
487.25589	0.5
631.27393	1.1
735.37347	0.6
761.20825	1.3
779.31677	3.1
780.32129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
63.02384	0.6
65.00349	0.5
69.34293	4.7
71.01374	0.8
74.66333	0.6
78.00018	0.5
83.01406	0.7
85.02963	0.5
87.00881	1.2
93.03474	0.8
93.97005	0.6
97.43794	0.5
99.97677	0.7
107.01386	1.8
108.02179	0.8
132.68361	0.5
148.01663	1.4
151.00366	6.6
163.03879	0.8
173.04570	0.6
178.99863	3.3
199.03943	0.6
203.07072	0.7
207.97360	0.5
215.03313	0.7
226.02620	0.6
227.03502	2.2
243.02936	10.5
244.03445	0.6
254.02202	2.7
255.02971	22.8
256.03424	2.4
271.02472	53.2
272.02933	5.7
273.03879	0.6
284.03247	0.9
299.01956	2.2
300.02750	100.0
301.03278	15.5
562.11176	0.6
652.10938	0.6
741.18817	75.7
742.19171	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	777.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
61.98829	0.8
64.95825	0.4
65.00321	1.0
71.01387	1.1
73.02924	0.5
83.01373	0.8
85.02950	1.5
87.00889	1.9
89.02502	0.6
93.03442	1.7
97.60124	0.4
101.02455	0.8
107.01384	2.1
107.41989	0.5
108.02203	0.9
109.02926	0.6
113.02448	0.7
119.05043	0.6
121.02955	1.7
125.02476	0.8
135.00897	0.8
147.04439	0.7
148.01649	1.2
149.02470	0.5
149.06075	0.4
151.00352	6.6
159.04449	0.5
161.02448	0.5
163.00386	1.3
169.01410	0.5
173.04529	0.9
173.05980	0.5
178.48502	0.5
178.99852	3.6
188.04846	0.6
191.05576	1.3
199.07629	0.5
201.05472	0.5
211.04016	0.8
215.03552	0.7
216.04233	0.5
216.07896	0.6
217.08636	1.5
226.02725	1.4
227.03490	2.4
243.02939	9.2
243.10236	1.6
244.03506	1.0
254.02164	2.1
255.02948	23.3
256.03265	1.9
259.09769	1.8
271.02444	55.5
272.02829	6.1
273.44858	0.4
299.01901	2.1
300.02713	100.0
301.03250	17.0
302.03723	1.2
327.08698	0.8
343.90768	0.5
369.09903	0.8
460.18674	0.5
518.17731	0.6
741.18744	73.3
742.19073	16.6
777.21838	1.1
778.20502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57832	4.1
58.58151	4.2
59.01377	5.9
61.36191	4.4
61.98828	87.8
62.56135	3.9
63.78408	4.5
71.53548	4.5
71.53915	6.1
73.02953	5.3
78.95909	6.1
123.98322	5.3
136.91417	4.3
172.83994	5.3
199.81494	4.6
201.11337	34.8
209.11819	57.1
225.11195	4.6
227.12842	12.4
235.08176	14.6
253.09196	12.9
263.86459	4.4
277.21719	100.0
278.22021	13.8
293.27545	5.4
359.97064	5.0
445.20575	8.3
513.30853	8.7
697.22986	4.6
777.41479	27.3
789.23901	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	777.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
57.03436	1.6
58.00587	1.2
59.01379	21.2
60.99303	0.6
61.98591	0.5
61.98830	5.9
63.02090	0.5
67.15398	0.6
68.99812	1.1
71.01382	22.2
71.54436	0.7
72.99294	1.9
73.02938	2.2
75.00874	10.7
78.95903	0.8
83.01383	2.5
85.02942	9.0
87.00862	3.5
88.98795	1.9
89.02439	9.5
95.01401	3.8
99.00873	10.4
101.02431	11.3
110.95605	0.6
111.00867	0.7
113.02436	8.2
116.92823	0.8
119.03497	1.7
128.95642	0.6
137.09691	1.4
142.59389	0.6
157.01439	1.4
161.04486	1.1
178.55367	0.7
206.38072	0.6
266.27380	0.7
284.03397	0.6
289.78082	0.6
292.15024	0.7
329.53970	0.6
392.40466	0.6
435.44843	0.7
437.34262	4.1
438.34448	1.1
443.57138	0.7
507.38565	1.5
777.44238	100.0
778.44690	24.1
779.75311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01838	2.3
59.01376	8.2
61.98826	29.2
71.01390	5.7
71.08134	5.3
73.12414	2.3
78.95916	5.2
89.02439	3.0
90.63056	2.5
101.02468	3.6
107.80299	2.3
109.06648	2.6
140.76898	2.6
152.99582	3.8
161.04517	4.7
163.11354	3.8
171.10294	18.3
179.05641	3.1
181.08673	5.2
189.09183	4.4
199.09734	13.9
207.10225	27.7
208.10616	3.6
225.11290	45.9
235.08249	5.3
253.09430	12.7
277.21707	100.0
278.22052	9.5
436.27597	2.6
443.19131	8.4
461.20322	19.2
513.30145	5.4
615.21704	2.5
695.39966	41.8
696.40277	10.9
721.41504	42.2
722.41937	10.3
775.40637	10.1
776.41827	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21197	3.3
59.01368	11.4
61.98822	15.0
68.53878	3.2
70.61668	3.2
71.01377	11.4
72.08433	3.0
78.95899	5.2
89.02438	5.9
98.20623	10.5
101.02444	6.5
109.06565	11.7
119.03490	3.2
152.99603	4.2
163.11333	6.3
171.10252	16.7
181.08707	5.7
191.97194	3.4
199.09743	44.3
207.10258	51.5
225.11313	43.9
226.11545	5.2
235.08151	5.6
253.09299	10.3
277.21719	100.0
278.22049	9.2
358.40210	3.6
358.91791	3.7
435.18579	12.2
441.29669	3.9
443.19153	11.8
461.20154	15.1
695.40051	74.5
696.40393	14.0
721.41565	55.6
722.41962	12.2
775.40411	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	775.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51466	0.5
55.07557	0.5
55.83559	0.4
59.01186	1.0
59.01508	2.1
61.98953	1.0
64.23272	0.5
65.00095	1.1
65.00468	3.2
67.02001	0.7
71.01521	1.2
71.54688	0.8
73.03062	0.6
85.03128	1.1
87.00572	0.6
87.01058	1.5
93.03664	1.7
96.99428	0.9
108.02441	0.5
109.03143	0.7
110.00316	3.6
111.01096	2.5
113.02590	0.9
119.05276	0.6
121.03107	0.8
122.03890	0.8
123.01043	0.7
124.01853	0.6
125.99812	1.4
132.02325	0.8
133.03156	0.6
134.03966	0.6
136.01796	0.6
136.99036	2.8
137.02679	2.6
139.00609	4.4
140.01402	1.4
145.03127	0.9
147.04666	0.9
147.47150	0.6
149.02640	1.2
150.03465	5.4
151.00577	1.2
155.03709	1.1
161.02654	0.9
164.04932	0.7
164.97075	0.7
164.98550	7.4
165.05824	6.1
165.99338	9.8
166.02989	1.9
167.00095	1.7
173.04817	2.2
175.04170	0.7
178.04382	0.5
178.99992	1.0
179.03665	0.6
180.00789	0.5
181.01717	7.6
181.05084	2.8
184.06396	0.9
187.04231	0.8
189.99255	0.7
191.05850	1.1
193.01659	0.6
193.05292	1.0
195.06679	3.6
198.03374	0.9
199.04312	0.7
205.05267	0.5
214.54102	0.5
215.03775	1.4
226.02879	0.8
227.03665	1.0
241.01530	0.8
251.03838	0.9
255.03180	1.0
271.02805	0.7
284.03564	2.1
288.08163	0.6
299.05902	1.3
309.04645	0.6
311.02274	1.4
312.03036	1.8
315.06842	0.9
327.06830	1.4
337.03720	0.6
342.05759	0.7
343.06158	4.4
344.07047	1.5
345.08023	1.2
355.06293	1.1
358.04877	0.7
359.05588	3.5
360.06403	1.0
371.05600	6.1
372.06339	9.4
372.10504	0.7
373.06989	4.2
386.04449	1.1
387.05038	9.3
388.05817	15.0
389.06653	2.2
392.02008	0.7
393.02963	1.5
398.04614	1.4
399.05234	1.9
401.06982	0.7
402.07614	1.4
403.08212	4.7
412.05612	0.5
412.96466	0.6
415.04758	1.3
416.05276	6.2
417.06406	2.4
417.15466	3.0
421.02051	2.4
422.02951	0.9
430.07120	0.9
431.07867	3.5
432.07971	0.6
435.03647	1.1
436.04269	2.5
443.04471	1.0
463.03632	0.6
516.52869	0.5
557.29974	0.7
565.20758	4.2
585.10236	0.8
598.07343	1.6
613.09839	100.0
614.10187	20.4
614.20099	0.4
655.11530	1.1
775.14862	19.1
776.15381	5.1
808.46674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.5
61.90440	0.7
68.00190	0.8
69.63741	2.8
69.64149	2.8
70.22838	0.8
71.01376	6.2
83.01341	0.8
85.02943	3.3
87.00859	7.5
89.02439	5.1
89.95682	0.8
93.03445	1.0
101.02441	3.5
113.02444	2.5
121.02957	1.9
123.00847	1.4
130.99825	0.9
135.04530	1.1
137.02475	1.3
138.03223	2.6
145.02946	1.4
147.04523	3.4
151.06111	2.5
159.04514	11.2
160.05215	1.3
161.02426	5.4
161.06059	5.2
162.03270	2.1
163.04027	1.2
173.02361	2.4
173.06049	3.8
175.03979	1.9
187.03987	1.6
188.15739	0.9
189.01929	2.3
193.05109	1.5
203.03474	1.1
205.05055	1.6
213.05687	1.0
217.01477	1.0
223.06117	1.3
225.05544	6.2
241.04988	3.0
242.05560	1.1
249.05597	1.5
251.03520	2.5
251.07251	1.2
253.05043	7.7
254.05679	2.5
255.02898	1.0
267.06580	1.6
268.07303	1.4
269.04526	12.5
270.05280	5.6
271.06058	9.5
272.06488	1.0
276.17935	0.9
277.05017	3.8
279.02972	2.5
279.06674	2.6
280.03748	1.6
281.04587	7.5
284.06924	6.3
285.07690	7.2
286.08383	8.1
293.04520	1.3
295.05948	2.8
296.03159	3.4
296.06693	2.0
297.03989	11.2
297.07635	5.0
298.04553	1.1
298.08322	2.9
299.09262	11.5
300.09482	1.4
301.10831	8.8
302.11160	1.1
305.04596	1.8
309.07443	0.9
311.05539	4.4
311.08768	1.0
312.06335	7.8
312.10004	2.7
313.06985	1.1
322.04718	2.8
323.05563	5.0
325.07132	6.0
325.10660	1.9
326.07898	7.8
327.08786	26.2
327.12369	5.7
328.09167	2.9
329.10330	1.7
337.07199	4.9
338.07864	5.2
339.04941	1.8
340.05719	1.2
341.06464	1.1
341.10345	1.5
343.11978	2.3
345.09418	1.1
353.10333	8.2
354.07187	1.3
355.08096	4.2
356.08582	1.4
369.09717	6.1
370.09775	1.3
371.11386	3.1
387.10855	13.7
388.11276	1.7
397.09036	4.9
399.07205	1.5
415.10410	1.7
417.11093	1.2
441.08060	2.5
459.09390	2.7
641.20874	1.4
669.20349	1.3
711.21399	2.2
713.18854	4.7
737.19171	1.5
773.21448	100.0
774.21790	19.9
794.58539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11785	0.2
57.92320	0.2
59.01366	0.4
61.98820	1.1
70.03362	0.2
71.01350	0.6
75.75687	0.2
78.07655	0.2
78.95899	14.9
79.95736	3.6
87.00865	0.2
92.91694	0.2
96.96008	100.0
96.96926	17.6
98.55103	0.2
171.10265	0.4
178.45428	0.2
277.21762	0.2
350.54694	0.2
453.08951	0.3
466.32797	0.2
624.95270	0.2
668.53625	0.2
713.30304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76828	1.0
57.03447	1.3
59.01362	7.7
60.41613	1.2
61.98822	7.2
66.00582	1.1
69.03426	1.6
69.96227	2.5
69.96640	3.6
71.01373	7.2
72.99297	1.5
73.02944	2.3
75.00869	5.4
81.03447	3.5
83.05016	8.8
85.02934	4.6
87.00899	5.8
89.02407	1.3
93.03452	22.9
95.01375	2.5
96.96024	1.4
98.20467	1.6
99.00919	1.3
101.02436	1.8
108.02183	2.6
109.02907	2.1
111.04520	19.0
113.02432	3.1
119.05012	2.8
121.02959	6.3
122.03736	17.7
123.04517	5.2
127.04024	1.8
128.24403	1.0
129.01939	2.8
133.02902	2.4
134.03735	2.5
136.01662	2.1
137.02399	3.8
141.25473	1.0
145.02916	4.1
146.03665	2.1
147.04530	7.8
149.01276	1.9
149.02434	26.2
149.03616	1.9
149.06047	2.6
150.03217	94.1
151.04028	12.5
151.69878	1.3
155.03505	20.5
160.01643	1.8
161.02426	2.4
161.06003	2.4
162.06755	1.3
164.04793	8.4
165.04042	8.0
165.05548	92.4
166.05859	3.9
173.04546	44.7
174.04839	2.4
175.03972	2.0
177.05573	1.8
179.07121	10.5
180.04318	7.9
180.07478	1.1
181.05046	7.5
182.05359	1.6
183.14011	1.1
191.03506	6.0
191.05502	1.6
191.07115	3.9
193.05005	3.9
194.05756	2.1
195.06625	28.1
196.06909	1.3
205.05048	1.4
206.05731	2.6
210.06853	1.3
238.04552	1.9
238.06561	1.5
239.06752	1.1
247.04044	1.3
250.06241	1.6
251.07031	1.6
253.05072	2.2
253.08527	2.7
254.05823	2.3
258.27548	1.1
263.03381	1.8
264.04132	1.6
265.04968	1.9
266.05682	1.8
267.02893	4.1
267.06754	1.9
267.10098	2.1
269.07977	1.2
278.05792	1.2
279.06531	4.0
279.09653	1.1
281.04541	3.0
281.08234	1.7
282.05334	5.4
283.06052	1.2
284.03293	9.6
285.03531	5.0
286.03741	3.6
293.04645	2.1
293.08139	1.4
295.06314	1.1
295.09698	7.8
296.06833	3.0
296.10388	5.0
297.07690	9.5
297.10760	2.0
298.08154	2.6
299.05621	9.5
300.02814	1.8
300.05872	6.9
301.06073	4.1
308.07028	1.6
309.04303	2.2
309.07678	4.3
310.04709	2.1
311.09195	4.1
312.06729	1.1
312.10043	6.8
313.10681	2.1
322.04895	5.9
323.05588	3.1
324.06277	5.4
324.09766	1.4
325.07077	3.4
327.12363	3.0
336.06369	2.1
337.07169	15.3
338.04221	1.9
338.07825	4.6
339.08682	10.9
340.05670	2.0
340.09357	2.1
341.06622	3.2
351.08704	3.9
352.09552	8.5
353.06540	13.5
353.10315	2.8
354.07275	2.4
355.08228	5.5
356.09103	11.3
367.08084	2.1
368.09000	10.5
369.09470	4.9
370.10547	9.6
371.11319	29.8
372.11514	3.3
383.11356	42.2
383.16238	2.5
384.11600	4.3
399.10934	2.2
400.11301	2.0
401.12299	4.2
460.14957	3.5
475.17517	4.2
487.13483	1.4
519.16492	7.5
523.19659	1.3
525.04944	1.1
531.16852	2.5
549.09894	1.0
549.17664	25.5
550.17896	3.8
553.20520	7.8
567.19141	7.4
579.18494	3.3
597.19733	100.0
598.20001	19.8
604.03223	1.3
609.15735	2.0
667.38672	1.9
679.57245	1.3
685.40747	2.5
771.24994	56.6
772.25244	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	771.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01379	12.4
61.98808	5.0
67.01867	4.0
69.03446	2.9
71.01391	11.0
71.54506	1.6
73.02953	3.6
75.00855	2.3
81.03436	4.2
83.05011	5.7
85.02947	7.1
87.00869	9.8
89.02467	2.9
93.03455	37.1
96.96008	1.2
97.02931	1.3
99.00881	2.0
101.02385	4.1
105.03485	1.6
108.02164	3.5
109.02935	4.0
111.00877	1.6
111.04517	18.7
113.02425	3.6
118.24108	1.6
119.05000	3.1
121.02947	11.5
122.03750	18.8
123.04483	4.5
125.02403	1.6
127.03992	2.0
129.01930	2.4
132.02092	1.3
133.02942	2.8
134.03699	4.5
135.04457	2.5
136.01633	2.3
137.02438	7.4
137.20290	1.3
145.02911	4.2
146.03738	1.5
147.04518	9.3
148.05156	1.8
149.01283	2.1
149.02429	33.7
149.06071	9.1
150.03229	100.0
151.03932	6.0
155.03506	16.6
160.01627	6.0
161.02356	2.5
161.04498	1.5
161.05971	1.2
163.04015	2.3
164.04735	4.2
165.04247	4.3
165.05560	99.3
166.05806	5.0
173.04546	86.0
173.05957	1.6
174.04836	2.6
175.03986	6.4
179.05626	1.4
179.07071	3.4
180.04314	7.7
181.04973	3.7
190.06331	1.4
190.36954	1.2
191.03571	7.3
191.05302	2.6
191.07100	3.0
193.05121	9.4
195.06612	46.0
196.06880	2.0
206.05811	2.5
221.06178	2.0
225.05530	1.4
226.06375	1.4
227.03351	2.1
237.03917	4.2
238.06496	2.0
250.06281	2.8
251.06947	1.4
254.05792	2.3
255.02888	4.9
265.05087	2.2
269.04584	2.5
269.08102	1.6
271.02393	5.0
275.60959	1.3
278.05649	2.1
279.06482	2.9
281.04489	2.5
282.05356	6.4
284.03198	4.8
285.03592	3.5
286.03790	1.6
291.06396	1.8
293.07706	1.3
294.05301	3.1
295.09613	2.8
295.53806	1.5
297.07681	10.0
298.08182	1.9
299.05414	4.6
300.02661	8.3
300.05945	3.0
301.19724	1.3
309.07458	3.6
310.04547	1.6
311.09479	1.8
312.09952	6.1
322.04608	5.1
323.05481	3.0
324.06390	3.5
324.09796	1.6
327.12387	4.3
329.08743	2.0
333.09802	1.4
333.75479	1.3
336.06430	2.1
337.07181	18.4
338.04330	2.1
338.07843	6.4
339.08707	6.7
341.06525	4.3
351.10788	2.0
352.09552	9.1
353.06131	17.0
354.07159	2.5
355.08066	2.4
356.09021	10.6
368.08859	9.4
369.09323	2.0
370.10373	4.6
371.11304	32.9
371.15918	1.2
372.11749	2.9
383.11362	59.4
384.11539	5.7
384.16080	1.4
400.10873	1.5
401.12210	2.4
480.01779	1.5
549.17548	2.2
553.20532	4.8
567.18719	5.5
597.19769	52.7
598.20386	11.0
667.38770	1.7
771.24536	55.8
772.25018	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	771.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01375	11.7
71.01369	6.3
71.01656	0.5
72.01740	0.6
72.99313	0.9
73.02951	1.0
85.02949	7.3
87.00902	1.0
89.02433	4.7
92.49211	0.7
93.03477	1.2
95.01423	0.7
96.96023	0.8
100.02306	0.6
101.02467	3.8
106.76305	0.6
113.02419	1.7
119.03464	1.5
119.05014	2.4
121.02967	0.8
123.00953	1.1
129.01994	1.0
134.03734	3.3
135.04530	1.2
137.02480	0.7
139.03972	0.7
146.03691	1.1
147.04506	0.6
151.00435	0.7
151.06122	2.3
155.03529	0.6
159.04510	0.9
161.02469	2.3
162.03238	0.8
163.03998	1.8
172.77965	0.7
173.02467	1.1
173.04610	0.8
174.03181	0.9
175.03999	1.8
176.04665	1.1
177.05583	1.4
187.04025	1.8
188.04762	1.7
189.01929	0.7
189.05525	2.5
191.01953	3.0
191.03551	0.7
191.05588	1.8
193.05035	4.7
203.03470	1.2
205.05063	1.4
207.32965	0.6
211.03865	0.7
215.03474	1.9
216.04033	0.7
221.04500	1.7
225.05556	1.1
227.03520	0.8
241.05005	0.7
250.02654	1.5
251.03333	1.6
252.04375	0.9
253.05003	1.0
254.05821	0.6
255.02979	2.1
255.06369	0.6
256.03635	0.7
265.05093	1.3
267.02908	1.4
267.06689	1.3
268.03720	4.1
269.04425	3.9
270.05289	2.3
271.02460	2.5
271.05783	0.7
277.04904	0.9
278.02216	1.6
279.02942	6.2
280.03564	1.2
281.04514	2.7
283.06116	5.4
284.03476	0.6
284.06824	2.4
285.07544	0.7
293.04575	2.8
293.12109	0.9
294.05014	1.2
295.03024	0.6
295.05991	2.9
296.03265	17.7
296.06519	0.6
297.03787	3.7
298.04614	0.6
298.08420	2.2
299.09235	1.2
300.02774	3.9
310.08350	0.8
311.05591	30.5
312.06223	6.1
313.07117	2.0
321.04041	1.3
322.04526	0.8
323.05521	2.4
325.07129	1.5
326.07935	46.9
327.08521	12.0
328.09482	2.6
338.04184	0.8
339.05054	6.2
340.05368	0.7
341.10394	3.2
342.10748	1.3
343.11737	4.9
344.12006	0.7
349.76501	0.6
353.06464	0.8
354.07370	18.1
355.07932	3.0
367.10437	1.9
369.09756	100.0
370.10037	13.0
374.34262	0.6
419.86786	0.7
429.11804	4.1
430.12451	0.8
459.12924	1.4
489.13925	3.2
601.14337	0.7
665.20551	1.1
674.86823	0.8
683.21857	79.8
684.22168	14.9
771.20587	4.2
772.19983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01382	4.7
61.98829	3.3
63.21774	0.4
65.00353	0.6
67.01914	1.7
69.03474	0.6
69.30791	1.7
69.31200	1.0
71.01374	3.7
72.99332	0.5
73.02974	0.8
81.03493	0.7
83.01425	0.9
83.05074	0.6
85.02945	2.2
87.00887	2.5
89.02455	0.8
93.03454	11.6
93.04000	0.7
95.01413	0.4
96.95998	0.8
97.02955	0.5
101.02486	1.2
105.04818	0.4
107.01431	1.8
108.02172	1.9
109.02981	1.3
111.00931	0.8
111.04563	1.2
113.02456	2.0
119.05054	0.6
121.02970	1.7
121.23972	0.4
122.03772	0.5
123.00889	0.5
123.04559	1.9
125.02465	1.0
126.02634	0.4
128.36148	0.4
132.02188	0.9
133.02969	1.5
134.03770	1.2
135.00922	0.6
137.02452	2.4
145.02974	1.6
145.12834	0.4
146.03670	0.5
147.04559	1.3
148.01709	1.5
149.02446	1.4
149.06093	1.5
150.03204	3.0
151.00369	6.8
152.01134	0.7
155.03488	1.9
160.01633	2.2
161.02431	4.8
163.00432	1.2
163.04002	1.1
164.01178	0.6
165.04059	1.8
165.05586	1.9
167.60420	0.4
168.00670	0.6
169.01410	0.5
173.04538	29.1
174.04929	0.7
175.02670	0.5
175.03946	1.9
178.99846	3.2
180.00328	0.5
180.04245	0.4
191.05591	1.2
193.05096	1.6
195.06583	0.8
199.04024	1.3
203.03670	0.5
211.03960	0.5
215.03445	0.4
216.04314	0.7
219.02925	0.7
226.02676	1.4
227.03487	3.0
228.03882	0.5
229.01222	0.5
243.02957	9.2
243.10158	0.5
244.03677	0.6
254.02182	1.9
255.02979	25.6
256.03400	2.5
263.07224	0.4
271.02460	53.8
272.02951	5.8
273.04034	0.8
283.02203	0.7
284.03284	2.5
285.03897	1.1
286.04025	0.6
299.01944	3.5
299.05566	2.2
300.02722	100.0
301.03284	15.5
314.04150	0.5
315.04968	1.1
331.06784	0.7
337.06998	0.5
351.10754	1.1
353.08981	0.5
360.54828	0.4
371.11362	0.8
383.11438	0.7
577.11737	0.4
595.13037	17.7
596.13483	2.7
597.19543	1.1
609.14642	2.2
621.10565	0.5
636.15521	0.4
667.38861	0.7
771.17407	42.8
772.17780	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	771.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01373	2.8
60.99340	0.9
61.98865	0.9
65.00359	1.5
67.01891	5.5
69.03488	0.9
69.35070	0.5
71.01377	3.9
72.01688	0.4
72.70688	0.4
72.99340	0.4
73.02942	0.5
80.37743	0.4
81.03497	1.1
83.01414	0.8
83.05059	1.2
85.02981	1.4
87.00861	2.1
89.02473	0.5
93.03456	33.1
94.03806	0.8
99.00883	0.7
99.04515	0.6
107.01390	2.2
108.02219	1.8
109.02993	1.4
111.00903	0.6
111.04517	4.9
113.02494	1.0
119.01391	0.4
121.02991	1.6
123.04604	0.5
126.69560	0.4
132.02225	1.2
134.03737	1.0
135.00937	0.8
135.04666	0.4
137.02419	2.7
145.02933	1.0
147.04536	1.0
148.01672	1.3
149.02432	1.5
149.06082	1.2
150.03238	3.8
151.00356	5.9
151.04041	0.5
152.01161	0.8
155.03502	3.9
160.01651	2.7
161.02437	3.0
163.00383	1.7
164.01167	0.8
165.04074	0.6
165.05525	3.8
166.28331	0.5
173.04538	76.2
174.04823	2.8
175.03976	1.7
178.99858	4.3
181.05035	0.5
191.03603	0.9
191.05653	1.1
193.01300	0.4
193.05040	0.7
195.06664	1.4
199.03951	0.7
211.03963	0.6
215.03491	0.7
216.04176	0.5
226.02650	1.5
227.03464	3.1
228.03970	0.5
243.02979	11.4
244.03450	1.0
254.02196	2.6
255.02966	26.7
256.03333	2.3
271.02460	57.3
272.02899	6.1
273.03949	0.9
283.02536	0.5
284.03320	3.0
297.07672	0.5
299.01886	2.6
299.05508	3.0
300.02725	100.0
301.03281	15.3
302.04001	0.5
314.04358	0.6
315.05173	0.6
337.07037	0.8
368.08267	0.5
371.11252	0.8
383.11353	2.0
549.17444	1.2
577.11383	0.9
595.13007	24.2
596.13232	4.1
597.19635	2.2
609.14691	3.5
621.10406	1.4
771.16797	33.7
772.16956	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2194
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.28761	0.7
56.68425	0.7
56.73481	0.7
59.01373	5.5
59.94048	0.7
61.98811	1.2
65.00320	1.6
69.20679	3.3
69.21115	4.0
71.01363	2.1
73.02937	1.1
75.00850	2.2
83.01362	1.1
85.02934	3.3
87.00877	4.0
88.98810	0.8
89.02431	1.2
93.03420	1.7
101.02444	1.8
107.01358	2.3
111.00795	0.8
113.02387	1.1
129.01930	1.4
131.04893	0.9
131.07008	0.9
137.02362	0.8
145.02951	1.9
147.04515	1.7
149.06007	1.1
151.00345	7.6
152.01161	1.8
152.02451	0.7
158.28725	0.8
161.02371	1.7
162.03055	0.8
163.03813	0.9
164.01149	1.1
165.04031	4.9
165.05348	0.8
171.04570	0.8
173.04497	1.3
175.03947	1.6
178.99803	2.6
183.04457	2.2
187.03940	1.4
191.03662	1.0
191.05531	1.8
193.04944	1.1
199.03984	7.7
201.02014	0.8
203.03400	1.4
209.02899	1.1
211.03989	1.4
215.03500	4.0
219.02837	1.1
226.02684	1.1
227.03487	8.8
228.03842	1.0
242.02153	5.3
243.02953	34.2
244.03319	2.9
255.02954	16.1
256.03384	1.3
257.04538	5.4
270.01675	5.4
271.02463	40.2
271.05438	1.9
272.02863	4.5
284.03137	2.2
285.03973	8.6
286.04733	2.7
287.05466	1.5
299.01953	79.7
300.02585	19.1
301.03040	1.2
313.03503	1.8
314.04318	74.0
315.04974	27.1
316.05444	2.0
327.08743	0.9
349.09158	1.8
397.09360	1.2
769.21875	100.0
770.22241	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98827	100.0
62.98544	0.2
67.04780	0.1
71.01379	0.4
73.02942	0.3
78.37186	0.1
78.95895	0.1
85.02967	0.4
87.00867	0.7
89.02435	0.2
96.96016	0.3
101.02458	0.3
113.02460	0.3
119.03553	0.1
125.02408	0.2
130.99902	0.1
143.26733	0.1
147.04501	0.3
153.15082	0.1
163.03889	0.1
170.37007	0.1
185.18063	0.1
191.05560	0.1
209.11803	0.2
211.13412	0.2
214.24664	0.1
226.11818	0.1
284.03217	0.2
299.05832	0.2
329.21735	0.1
365.18298	0.1
395.36899	0.1
475.29260	0.1
511.61130	0.1
529.07703	0.1
543.11658	0.1
583.94678	0.1
722.42139	0.5
723.42834	0.2
767.35205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98827	100.0
62.98545	0.3
66.55251	0.1
71.01385	0.5
71.54874	0.2
73.02962	0.1
78.83144	0.1
78.98618	0.1
80.96519	0.2
83.04997	0.1
85.02950	0.3
87.00883	0.5
89.02438	0.2
95.01352	0.1
96.96020	0.3
101.02454	0.2
103.08829	0.1
113.02463	0.3
125.02454	0.1
137.02444	0.1
149.06180	0.1
161.04579	0.1
165.04024	0.1
173.04543	0.1
177.05750	0.1
191.05621	0.1
193.05136	0.1
209.11880	0.1
210.16039	0.1
211.13297	0.1
269.04733	0.1
284.03461	0.1
299.05728	0.1
665.40393	0.1
725.37054	0.1
768.33600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
59.68424	0.4
61.98792	0.6
63.96233	1.4
69.03468	0.6
70.70867	0.7
70.71181	0.5
71.01387	9.0
73.02934	1.8
78.95921	1.0
78.98586	6.7
79.95734	13.4
80.96516	81.6
81.03436	0.6
82.96085	0.6
83.01388	0.5
87.00867	3.8
94.98087	17.9
95.01401	0.7
96.96014	1.6
97.02951	1.9
99.79382	0.4
101.02449	2.5
104.85741	0.5
106.98087	3.8
113.02459	0.5
122.97578	3.4
125.02423	3.9
127.04016	0.8
132.23140	0.5
134.97574	4.9
136.99147	1.8
148.99142	7.1
152.98631	8.1
158.78261	0.5
164.98619	14.2
167.00238	0.7
181.13651	0.5
183.13873	3.3
185.04671	0.4
188.29292	0.5
188.98674	0.7
206.99658	3.9
225.00732	24.2
255.23337	2.6
283.04623	0.5
325.83807	0.4
343.73856	0.5
356.97101	0.5
360.33282	0.5
377.58051	0.5
509.16858	2.3
537.27118	1.3
599.44574	0.5
677.99884	0.7
721.42621	0.6
765.40948	100.0
766.41296	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1992
Annotation	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.01374	2.6
59.53417	0.3
60.62717	0.3
60.99305	2.4
61.98829	36.1
61.99308	0.9
62.98491	0.4
63.99247	0.3
65.00302	0.3
69.45782	2.2
72.99290	0.9
73.02912	0.6
75.00842	1.0
83.01361	0.5
83.04990	0.3
83.33562	0.3
85.02945	1.6
87.00877	1.5
88.98806	15.3
89.02435	1.6
89.99126	1.0
93.03431	0.8
95.01363	0.3
96.93440	0.3
101.02426	1.3
108.02148	1.0
109.02927	0.6
113.02423	1.3
117.03468	4.0
119.05014	2.5
120.05336	0.4
121.02917	0.5
123.04494	0.7
132.02147	0.6
133.02948	0.6
134.03682	0.6
137.02403	0.6
145.02954	12.8
146.03659	0.6
147.04509	0.8
148.05357	0.4
149.02449	0.4
149.06041	1.4
150.03261	0.4
155.03461	0.6
157.13191	0.3
160.01686	0.4
160.05251	0.3
161.02422	0.5
161.06100	0.4
163.00331	0.5
163.04028	1.6
165.04060	2.2
165.05260	0.4
165.99017	0.9
173.04541	0.9
175.03955	1.0
175.07582	1.3
183.04559	0.3
190.99895	2.0
191.05588	0.7
193.05074	1.8
200.04822	0.9
201.05180	0.4
205.04976	0.6
211.03970	0.9
219.06587	1.1
227.03508	2.3
228.04260	2.3
229.08527	0.5
237.04022	1.1
239.03415	1.3
240.04282	5.8
241.04553	0.4
255.02943	3.1
256.03625	0.9
265.07220	0.6
283.02478	4.7
284.03244	79.9
285.03580	6.4
297.04239	0.4
298.04883	0.8
299.05594	100.0
300.03415	0.2
300.05920	9.9
307.08221	12.5
308.08572	1.1
310.01102	0.8
387.10831	0.4
411.10638	2.0
412.11234	3.5
446.08447	2.9
461.10910	3.1
462.11218	0.5
487.06671	1.5
501.84314	0.3
592.15088	0.5
592.66394	0.4
607.14569	16.2
608.14813	3.6
665.37256	1.4
683.38898	0.9
725.39813	0.5
751.19183	1.0
769.19122	1.8
770.20673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43716	0.2
61.98827	100.0
62.98544	0.3
70.53575	0.7
73.70990	0.2
75.02013	0.2
78.95936	0.3
79.95738	0.3
80.96513	2.8
84.01208	0.2
94.98074	0.5
100.81689	0.2
110.04970	0.2
113.70606	0.2
125.02442	0.2
126.75329	0.2
137.40776	0.2
152.98637	0.4
164.98637	0.7
209.11745	0.2
216.75584	0.2
225.00787	1.1
255.23270	0.4
765.40833	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	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
60.99305	17.1
61.98817	0.7
70.96124	0.4
78.95881	0.2
85.02972	0.2
87.00886	1.3
88.00400	2.8
88.98804	100.0
89.02441	10.2
89.99144	1.0
90.02762	0.2
101.02438	0.2
102.73809	0.2
135.28909	0.2
184.51097	0.2
232.19170	0.2
237.30493	0.2
248.76181	0.2
277.21802	0.4
278.21771	0.3
362.86917	0.2
397.13467	0.8
415.14182	0.3
437.15240	0.2
461.91122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
60.99305	17.7
61.98826	0.8
87.00870	1.1
88.00398	2.7
88.98801	100.0
89.02436	8.8
89.99136	0.9
90.02766	0.3
98.19882	0.7
116.92846	0.4
206.54784	0.3
229.23149	0.4
257.69443	0.3
290.86835	0.3
366.09177	0.3
397.13364	1.3
552.44672	0.4
599.42059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
61.98822	1.4
63.96234	2.1
66.49324	0.4
69.03455	0.8
70.87949	1.3
71.01382	8.6
73.02937	1.8
75.36449	0.5
78.98589	5.5
79.95729	12.7
80.96513	78.1
81.03455	0.8
82.96093	0.6
87.00876	3.1
94.98087	16.4
96.96009	1.3
97.02923	1.8
99.00877	0.6
99.04495	0.6
101.02438	2.9
106.98074	3.8
122.97572	3.1
125.02452	4.0
127.04016	0.7
134.97585	6.1
136.99120	1.2
144.09245	0.5
148.99139	6.7
152.98615	5.8
153.98616	0.5
161.58917	0.6
164.98622	12.0
184.08583	0.5
188.98654	0.5
206.99716	2.6
209.11801	8.9
210.12134	0.9
225.00723	22.3
226.00946	0.8
231.97159	0.6
255.23212	1.4
277.21765	4.9
306.49286	0.5
509.16830	3.4
537.27289	1.5
555.27460	0.5
660.90839	0.6
765.40881	100.0
766.41217	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84922	0.5
57.20583	0.5
59.01369	1.1
61.98833	0.9
63.96231	1.9
69.93137	1.9
71.01373	8.5
73.02942	1.9
78.95879	0.5
78.98586	6.3
79.95736	12.2
80.96514	72.6
81.03447	0.9
85.02953	2.6
87.00872	3.5
94.98087	17.4
96.96006	1.3
97.02945	1.8
99.00867	0.9
101.02450	2.7
106.98061	3.0
113.02467	0.6
122.97605	2.9
125.02461	3.5
127.04017	0.8
134.97574	5.5
136.99101	1.2
146.49347	0.4
148.31238	0.5
148.99144	6.2
152.98611	5.6
164.98619	13.6
167.00157	0.5
188.98872	0.5
202.97940	0.4
206.99702	3.2
207.10320	0.7
225.00732	20.5
233.98407	0.5
255.23355	1.5
283.04990	0.6
320.50549	0.5
350.14761	0.5
507.15454	3.0
537.27368	1.8
641.54553	0.5
686.60992	0.5
763.39404	100.0
764.39685	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63563	0.2
61.98828	100.0
62.66836	0.1
62.98521	0.2
63.63305	0.2
68.68161	0.1
71.01367	0.4
71.52427	0.2
71.52774	0.2
79.95745	0.4
80.96508	1.4
94.98099	0.3
123.91783	0.2
131.34209	0.2
143.25960	0.2
152.98613	0.3
164.98605	0.3
225.00731	0.5
255.23538	0.2
283.26495	0.3
284.26831	0.3
286.69958	0.2
623.40295	0.2
653.29865	0.2
762.47693	0.6
763.39069	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	763.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64174	0.9
54.89225	0.8
55.84895	0.9
58.06732	0.8
61.98817	1.6
63.96228	1.9
69.03410	1.1
69.86620	3.2
71.01387	7.9
73.02938	2.2
73.73466	0.9
78.98584	6.7
79.95737	13.6
80.96515	75.9
81.03439	1.1
85.02950	2.9
87.00881	2.8
94.88880	0.8
94.98090	16.5
97.02927	2.5
98.20698	0.9
99.00873	1.1
101.02423	3.8
106.98073	3.2
122.97570	2.5
125.02444	4.0
129.20938	1.0
134.97569	5.6
136.99117	1.6
148.99164	5.3
152.98650	5.1
164.98610	13.2
206.99669	4.0
207.25548	0.9
224.98651	1.8
225.00737	21.6
253.94945	1.0
255.23366	1.4
297.96243	0.9
441.54373	1.0
507.15317	3.4
537.26831	1.1
548.60144	0.9
763.39410	100.0
764.39636	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	761.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98824	0.2
65.00338	0.2
65.87277	0.1
69.25263	1.4
74.37428	0.1
79.84239	0.1
79.94721	0.1
85.02911	0.2
86.31257	0.2
87.00854	0.3
93.03460	0.3
109.02891	0.2
119.01395	0.2
121.02924	0.5
121.71550	0.2
122.03710	0.7
125.73327	0.2
131.04965	0.2
132.02141	0.5
133.02907	0.8
134.03682	0.2
137.02391	0.2
140.52534	0.1
143.05072	0.2
145.02927	0.4
147.04486	0.5
149.02400	0.4
149.06033	0.4
150.03203	1.8
156.05785	0.3
161.02376	0.4
163.00333	0.6
165.05542	2.0
168.69249	0.2
171.33820	0.1
172.05238	0.2
173.04605	0.2
179.07094	0.3
183.04456	0.8
184.05280	0.4
187.04036	0.2
190.99843	2.9
195.06599	0.6
199.04095	0.7
200.04761	1.8
201.05263	0.2
210.03313	0.3
211.04021	1.4
212.04704	0.4
219.47600	0.2
227.03470	2.8
228.04239	3.3
229.04776	0.2
238.02560	0.3
239.03452	1.6
240.04250	9.0
241.04510	0.7
243.10147	0.3
255.02954	3.7
256.03638	1.4
267.03073	0.4
283.02435	4.3
283.05554	0.3
284.03220	96.4
285.03555	8.9
299.05560	100.0
300.05893	9.2
311.05740	0.3
326.07935	0.5
327.08401	0.2
346.13974	0.2
347.14957	0.2
354.07391	0.3
361.16611	1.3
369.09744	1.3
403.17484	0.2
415.17728	0.4
461.10818	0.5
509.21863	1.4
510.22180	0.2
521.21881	0.2
539.22577	0.4
557.23639	1.5
599.24512	0.3
761.33698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
59.29093	1.9
61.98839	5.5
69.93527	8.2
71.01362	2.2
74.77590	2.1
78.95904	4.8
93.38618	2.0
98.20576	2.7
115.30214	2.0
144.23692	1.9
152.99574	2.0
209.11812	67.2
210.12155	4.7
227.12892	18.5
235.08214	8.2
253.09192	8.1
277.21719	100.0
277.80798	2.5
278.22052	12.3
513.30853	3.9
759.40833	28.0
760.41272	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	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	6.7
70.33859	1.6
71.01373	3.6
71.53083	1.8
76.67546	1.6
78.95908	3.0
96.95985	2.3
97.17742	1.7
113.02377	1.7
153.05852	2.0
163.11206	1.9
171.10310	2.2
209.11813	100.0
210.12122	5.2
227.12907	19.3
228.13120	2.3
252.76891	2.0
253.09174	8.0
277.21695	61.8
278.22131	6.9
279.23035	2.5
445.20599	8.1
466.65396	2.0
501.19174	2.3
683.33118	2.5
759.40759	26.1
760.41864	6.2
771.80621	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	759.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13079	2.1
56.47685	1.9
57.70665	2.4
61.98816	2.2
71.53313	2.1
71.53992	2.6
78.95872	9.7
91.05498	2.0
93.03465	2.4
95.05035	2.5
105.03420	2.3
110.98493	3.4
119.05024	4.2
121.02905	2.8
122.01501	2.0
137.02399	4.7
144.65503	2.0
147.04530	36.8
148.05202	8.8
159.04488	5.4
161.06009	5.2
162.06813	2.7
171.10220	4.1
172.05235	6.6
173.06073	15.2
174.03163	6.4
174.06676	2.8
175.03796	2.1
182.19640	2.3
186.06737	2.6
187.03853	2.9
187.07584	4.5
189.05453	7.3
191.03366	5.2
192.04227	5.1
197.05980	5.4
198.06694	3.6
201.05420	8.0
201.09215	2.5
211.13322	4.6
215.07037	5.5
216.07709	8.2
255.23273	24.6
257.15323	2.6
279.23221	14.2
283.13168	2.7
285.14752	5.5
297.14911	19.2
298.15289	2.4
311.12802	5.3
313.17807	9.8
315.15860	4.2
323.16504	19.6
329.23196	4.2
341.17566	28.7
342.17798	5.5
357.16827	3.6
359.18356	9.0
385.16391	10.9
403.17493	4.6
415.21466	4.9
433.22098	4.3
459.20129	11.5
477.21332	17.1
478.21472	2.7
671.44720	2.7
715.44391	26.5
716.45209	5.3
759.42871	100.0
760.43622	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
54.85470	0.5
55.01893	0.5
55.89333	0.4
56.82582	0.5
59.01375	7.4
61.98818	1.9
68.99554	4.9
71.01379	100.0
72.01718	1.9
73.02946	1.7
78.95901	1.7
85.02939	1.1
86.27219	0.4
87.00869	2.8
89.02431	1.7
97.02914	0.9
97.93132	0.7
99.00864	1.0
101.02436	3.7
109.06572	3.2
110.03786	0.5
111.04398	0.5
112.98598	5.7
113.02446	1.9
114.93397	7.5
115.00370	9.0
116.33939	0.5
119.03475	0.6
125.09707	1.4
127.11269	1.8
133.05000	0.6
152.99620	0.7
153.09215	0.8
155.10759	1.2
161.04613	0.8
163.11278	1.8
171.10258	67.4
172.10683	3.4
181.08710	0.8
181.12326	1.2
185.11877	0.5
189.09175	0.5
199.09734	9.1
199.13441	1.0
201.11305	6.8
207.10234	11.7
215.12801	0.6
225.11296	9.0
226.11531	0.7
235.08202	3.9
243.12411	0.9
253.09271	10.7
254.09528	0.5
259.40482	0.5
274.71082	0.5
277.21701	82.6
278.22021	8.3
299.00531	0.5
378.19751	0.5
412.74173	0.5
422.06357	0.5
435.18649	1.1
443.18906	0.8
461.20084	1.8
479.20932	0.6
695.39874	0.7
721.42090	3.2
722.42383	0.6
739.42847	0.6
757.43463	6.5
758.43622	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	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.2
55.65646	1.2
59.01371	11.9
61.98823	4.9
62.95959	1.0
63.90235	1.1
71.01379	97.6
72.01711	1.6
73.02924	2.4
78.95897	3.2
83.01409	1.2
83.05029	2.0
85.02966	1.5
89.02448	3.7
97.02918	1.5
98.19893	4.0
99.00845	1.5
101.02458	4.8
109.06586	7.9
113.02429	2.6
124.37331	1.2
125.09687	2.8
127.11286	4.4
135.08150	1.8
152.99603	1.5
153.09184	1.4
161.04524	1.4
163.11263	6.2
171.10257	100.0
172.10599	5.3
181.08682	2.1
181.12280	1.5
187.43475	1.2
199.09760	20.2
199.13425	2.5
201.11307	17.3
207.10246	27.9
225.11327	15.8
226.11618	1.5
229.13318	1.5
235.08243	2.1
253.09233	12.2
265.84561	1.2
277.21704	74.6
278.22070	5.6
319.35968	1.1
435.18933	3.7
461.14340	1.4
461.19974	5.9
461.81241	1.3
695.39874	2.5
721.41504	5.8
722.42554	1.7
739.43170	2.9
757.43219	12.1
758.43884	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	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.9
61.98819	4.0
63.73364	0.9
65.60843	0.9
69.94396	3.1
71.01380	68.4
72.01729	1.3
73.02936	1.8
78.95894	3.3
85.02937	1.5
87.00842	1.6
89.02454	2.0
97.06609	0.8
101.02425	3.6
109.06602	4.0
113.02432	1.6
123.08197	1.1
127.11272	1.4
135.08177	1.3
145.05098	1.1
161.04575	2.1
163.11258	2.3
169.12383	1.1
171.10260	40.6
172.10640	1.0
181.08543	1.2
181.12297	1.9
197.11743	1.3
199.09770	8.3
199.13309	1.0
201.11328	6.0
203.39197	0.8
207.10248	11.4
225.11281	8.1
235.08200	5.3
253.09264	7.7
277.21701	100.0
278.22046	11.5
299.76666	0.9
346.51889	0.9
395.53381	0.9
445.96732	1.0
461.19913	1.0
619.36273	0.9
659.27350	1.0
695.39612	1.0
721.41632	4.3
757.44208	8.2
758.44434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
61.98829	4.4
69.37667	2.8
69.38104	3.6
71.01376	98.8
72.01729	1.6
73.02951	2.1
78.95908	2.0
81.03427	0.9
83.05028	1.2
85.02942	1.4
87.00883	1.5
88.58468	0.9
89.02438	2.8
97.02941	1.6
97.06593	0.8
99.00883	1.6
101.02443	3.7
109.06581	8.5
113.02445	2.1
125.09714	2.6
127.11311	4.4
135.08176	1.8
137.09692	0.9
142.02733	0.9
155.10721	1.9
156.94305	0.8
161.04549	1.8
163.11279	4.7
171.10254	100.0
172.10706	4.2
172.11996	0.8
179.05643	0.9
181.08696	1.5
181.12343	2.0
185.11858	1.4
199.09731	18.0
200.10088	1.1
201.11311	17.1
202.11557	0.9
207.10237	21.6
208.10526	1.7
222.11101	0.8
225.11305	14.9
235.08232	1.5
236.81253	0.8
243.12527	1.9
244.79877	0.8
253.09245	12.3
254.09444	1.3
277.21695	69.5
278.22037	8.4
395.42371	0.9
435.18594	4.5
443.19272	1.3
461.20193	4.3
479.21704	1.4
513.56091	0.9
695.40503	1.3
721.41565	3.8
722.42316	1.9
739.42542	1.7
757.43512	8.0
758.44385	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	757.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.9
58.80427	0.8
59.01381	6.7
62.40494	0.8
67.78522	0.7
68.11095	0.8
69.20178	7.8
69.94277	0.7
71.01371	5.1
72.49454	0.7
73.02916	1.0
77.04031	0.7
78.12241	0.7
85.02945	2.2
87.00866	6.5
89.02423	3.6
101.02444	3.0
113.02444	1.9
119.03468	1.4
119.05033	1.5
121.02962	1.3
123.00887	1.4
125.02454	1.0
135.06619	1.4
137.02434	1.3
138.03194	3.0
145.02960	0.9
146.03723	0.9
147.04497	2.7
149.02460	1.0
149.06049	0.8
149.39255	0.9
159.04483	9.4
160.05247	1.8
161.02449	4.7
161.06099	4.0
162.03076	1.1
163.03938	2.0
173.02429	2.5
173.06033	3.5
174.03134	1.1
175.04028	1.9
185.06059	1.2
187.04044	1.6
189.01924	2.0
189.05574	1.0
191.05499	1.8
203.03426	1.5
205.05022	1.1
207.03033	1.0
213.05511	1.3
225.05557	6.0
227.07106	9.7
228.07469	0.9
241.05025	3.6
251.03447	2.5
251.07231	1.1
253.05035	9.5
254.05696	1.8
267.06802	1.2
268.04129	1.0
268.07346	2.7
269.04498	14.7
269.07266	1.2
270.05240	4.7
271.06119	10.2
272.06628	2.3
277.04993	3.6
279.02933	2.1
279.06656	1.6
281.04510	7.0
282.05023	1.8
284.06989	5.6
285.07535	6.3
286.08459	9.5
294.05093	1.2
295.06079	3.3
296.03238	2.3
296.06879	2.0
297.04004	10.1
297.07565	4.3
298.08261	1.0
299.09161	10.1
300.09741	1.5
301.10742	8.7
302.11322	1.0
305.04507	1.5
310.08322	1.0
311.05551	4.8
311.08972	1.6
312.06332	8.1
312.10037	3.3
313.07022	1.5
322.04758	3.5
323.05643	5.1
325.07181	4.5
325.10510	1.4
326.07919	7.3
327.08667	23.5
327.12381	5.2
328.09061	3.8
329.10248	1.5
337.07245	4.8
338.07831	5.2
339.04825	1.9
340.05652	1.8
343.11856	2.2
353.10321	9.1
354.10873	1.2
355.08026	4.7
369.09790	5.2
371.11371	3.3
387.10651	8.8
388.11212	1.0
397.09320	4.5
415.10394	1.4
417.12415	1.0
429.12241	0.9
441.08115	2.5
459.09384	4.6
568.07495	0.8
583.16711	1.9
625.21240	3.5
638.58154	0.7
653.20728	1.7
667.21643	1.0
695.21820	1.9
697.19977	4.8
698.20953	1.1
757.21912	100.0
758.22107	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	757.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07022	14.9
61.98827	100.0
72.42910	15.0
73.19437	15.4
78.95862	15.8
152.99617	19.4
207.10165	24.4
225.11145	40.5
229.39822	28.9
270.40469	17.4
277.21704	66.5
331.69794	19.3
420.01779	19.3
435.93930	16.2
461.19986	26.2
757.39825	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98530	0.9
56.87614	0.9
59.01349	1.1
63.02379	1.3
65.00308	1.5
70.90655	1.9
80.49510	1.0
83.01388	1.2
107.01383	3.8
108.02163	1.9
121.03012	1.3
135.00850	1.8
147.04507	1.5
149.06096	2.2
151.00363	9.9
163.00310	1.8
164.01227	1.1
172.90771	0.9
175.03947	1.6
178.99870	4.6
183.04475	1.4
187.03960	1.2
189.92076	0.9
193.05023	3.4
199.03957	1.4
211.04086	2.0
219.02921	2.8
227.03479	38.7
227.05745	2.1
228.03885	3.0
229.04991	4.2
239.03435	1.6
243.02985	9.0
254.02161	1.4
255.02965	76.1
256.03427	9.4
257.04517	5.3
271.02472	44.5
272.02905	4.2
283.02499	1.6
284.03244	76.3
285.03958	31.5
286.04309	2.7
299.02069	1.9
300.02725	75.9
301.03223	12.4
467.64706	1.2
546.24078	1.0
674.38013	1.3
755.20294	100.0
756.20532	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.7
58.04586	0.6
59.01377	10.9
61.98804	0.6
71.01074	0.6
71.01379	8.0
71.53856	0.9
72.99295	1.2
73.02946	1.5
75.00859	0.9
81.03461	0.6
83.01379	1.0
85.02944	6.4
87.00874	54.4
89.02423	4.8
93.03466	3.4
101.02444	4.0
108.02182	1.6
109.02912	1.0
111.00861	0.7
113.02446	2.6
119.03480	1.4
119.05000	2.7
121.02950	12.5
122.03768	0.9
123.04488	3.1
129.01935	0.7
130.48834	0.7
130.99858	16.0
131.04962	0.8
133.02956	1.1
135.06615	2.4
137.02400	0.8
145.02946	1.8
147.00873	0.9
147.04482	2.3
149.02406	2.7
149.06107	0.9
151.00359	1.6
151.03964	1.1
161.99594	0.7
163.00279	0.8
163.03964	2.8
164.04758	2.7
165.04077	1.4
165.05487	3.3
173.04498	1.1
175.00368	4.0
175.03871	1.2
176.01088	2.7
178.99846	1.1
179.07100	1.3
187.02718	0.8
189.01910	0.9
190.02711	22.7
190.99945	1.3
191.01736	1.1
191.03456	3.7
191.05542	3.3
192.04076	0.9
193.05008	1.0
197.06113	1.8
199.04068	0.7
205.05037	35.3
206.05368	2.2
217.01332	1.3
219.03027	0.7
223.06044	2.6
225.05594	3.1
227.03500	0.9
240.04321	1.0
249.05641	0.8
251.07091	2.6
253.05138	12.7
254.04314	8.5
255.02869	1.5
267.06772	1.2
268.04626	0.6
268.07346	3.2
269.04633	1.2
271.02271	1.4
279.06503	1.7
283.09744	20.9
284.03122	2.4
284.10025	1.6
285.03668	1.7
295.06033	1.5
297.04001	3.6
297.11951	1.3
299.01953	2.0
299.05399	1.0
299.08936	1.1
300.02728	0.8
300.06055	0.9
301.03046	0.9
309.11285	1.4
311.05640	0.9
312.06284	3.0
316.02219	0.9
323.05609	3.7
327.08752	5.1
337.06943	0.8
338.07925	2.6
339.05069	1.8
340.05719	0.9
354.07404	1.7
355.08051	1.0
367.04233	1.0
369.09824	6.1
371.11380	1.9
382.06775	1.9
386.12265	0.8
397.09274	11.4
398.09592	1.6
399.06992	3.7
415.10251	1.0
423.07065	3.3
424.07175	0.8
459.09311	12.1
460.09692	2.8
503.17847	1.1
697.19537	1.3
739.20526	0.8
757.21857	100.0
758.22113	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	755.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
57.86602	1.0
59.01382	13.1
60.33835	1.1
68.58186	0.8
69.22896	6.9
69.23321	3.5
71.01389	8.5
73.02934	1.9
75.16190	0.9
80.44057	1.2
80.60070	1.0
81.58344	1.1
85.02950	8.6
87.00852	2.5
89.02454	6.7
93.03432	1.9
101.02427	3.5
113.02437	2.9
119.03507	1.5
119.04975	2.4
121.02920	3.5
123.00864	2.5
124.01649	1.2
125.02441	1.6
134.03760	8.6
137.02420	3.3
138.03195	3.3
139.04016	1.5
141.28796	1.1
145.02968	1.6
147.04503	3.5
148.01674	1.4
149.02327	1.4
149.06047	2.9
151.06104	2.8
153.05458	1.9
159.04500	19.1
160.05222	2.6
161.02434	1.9
161.06062	4.6
163.02676	1.0
163.03973	5.6
172.05212	2.6
173.02406	7.2
173.04631	2.3
173.06029	11.8
174.03137	2.4
175.03999	2.9
175.30211	1.0
176.04585	1.5
177.05461	1.8
187.04008	5.3
188.04721	1.3
190.02766	1.2
191.01956	2.3
191.05544	3.9
192.04202	1.1
193.05045	12.3
199.03992	4.3
203.03432	2.1
209.02977	2.9
211.07625	1.1
215.03494	1.5
217.01373	4.2
217.04924	2.4
219.02814	1.4
223.07765	1.9
225.05606	1.1
227.03438	1.3
237.05478	1.3
239.07091	4.4
249.05565	8.5
250.06120	2.2
251.07141	5.8
253.05002	1.4
261.05475	1.6
265.05023	2.1
266.05960	1.5
267.06509	6.4
277.05026	31.9
278.05673	7.2
279.03299	1.9
279.06561	10.0
280.03848	1.3
280.07220	2.0
281.04459	2.4
281.08276	1.6
282.05164	1.9
283.05975	1.8
291.06815	1.7
293.04547	6.1
294.05280	8.0
294.08344	1.3
295.03006	1.8
295.06097	20.8
296.03110	4.3
296.06693	5.7
297.04218	1.8
297.07632	7.9
298.07935	1.7
305.04535	14.7
306.05060	3.2
307.06128	5.2
308.06635	2.1
309.07645	2.0
310.08426	7.9
311.05530	4.9
311.09152	5.7
312.06488	2.5
312.10010	4.9
313.07037	1.6
321.03943	3.9
321.07419	2.1
322.04749	17.5
322.08450	3.7
323.05582	36.8
323.08917	1.4
324.05899	4.2
325.07327	1.8
325.10794	6.6
326.07834	9.7
326.11334	1.8
327.08649	2.3
327.12366	7.4
328.12671	1.6
336.06311	2.6
337.07126	30.8
338.07904	43.1
339.08286	4.1
339.50674	1.1
343.11691	1.2
351.08676	11.5
353.10266	62.4
354.07147	3.3
354.10730	6.4
367.04321	2.0
367.10318	3.0
369.09698	21.8
370.10181	2.6
371.11072	1.7
379.08334	2.8
382.06982	1.5
397.09286	12.6
408.04739	1.2
413.12207	7.6
423.07065	6.6
639.19110	2.3
649.20837	2.2
667.22498	28.3
668.22839	6.4
693.20081	2.3
711.21387	27.1
712.21765	7.1
737.19354	24.2
738.19434	4.4
755.20367	100.0
756.20551	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01119	0.6
59.01376	3.4
71.01373	2.7
71.24976	0.6
75.00893	0.5
85.02946	3.4
87.00871	1.7
93.03478	1.3
97.02930	0.7
101.02417	1.5
106.04279	0.6
108.02167	2.3
109.02949	1.5
113.02447	1.3
119.05016	4.6
121.02943	2.2
121.06605	2.1
122.03777	1.1
123.04530	1.9
125.02438	1.9
129.03452	4.1
130.04250	1.0
131.05029	2.0
131.07158	1.6
134.03809	0.7
137.02422	0.8
140.76398	0.5
144.46584	0.6
145.02933	0.8
146.03699	1.1
147.04507	42.4
148.05295	3.6
149.06067	93.6
150.06421	3.6
158.03740	0.8
161.02446	1.3
173.04498	1.1
173.08192	0.7
174.03221	2.4
175.03989	45.3
176.04330	2.2
181.05058	0.9
188.04735	0.6
191.01959	1.1
191.05486	0.8
193.05034	100.0
194.05400	4.6
217.04976	0.7
217.08836	0.8
219.02960	86.6
220.03323	5.9
227.03426	0.7
243.10170	0.6
249.06035	0.7
253.05173	0.8
255.03020	1.6
271.02505	1.4
284.03387	1.4
285.03754	0.6
299.01917	0.6
299.05505	0.6
300.02679	2.2
315.05054	1.4
355.10516	5.0
356.10651	0.7
381.08179	11.4
382.08521	1.3
397.09329	1.0
399.09268	79.5
400.09637	7.6
423.09296	18.4
424.09589	2.6
457.87753	0.7
737.15802	1.0
755.16547	10.7
756.18347	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	753.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
56.77989	0.5
57.03446	0.7
57.94619	0.5
59.01376	14.3
67.01888	0.8
67.40105	0.5
69.03429	0.7
71.01375	11.4
72.99312	2.6
73.02934	7.3
75.00868	0.9
83.01376	3.6
84.02168	0.9
85.02944	6.0
87.00878	2.8
88.98802	0.5
89.02425	2.8
93.03466	1.4
95.01376	1.4
97.02962	1.2
98.19915	2.1
99.00873	15.2
101.02429	7.5
106.67825	0.4
109.02945	2.4
111.00887	1.1
113.02436	9.9
118.26520	0.5
119.05055	1.1
121.02938	1.1
123.00872	2.5
123.04455	0.9
124.01668	1.3
125.02467	2.9
131.03520	1.4
134.03773	0.6
137.02428	10.9
138.03200	1.5
139.00386	1.1
139.04041	2.8
143.03467	0.7
145.02953	1.3
146.03735	0.8
147.04539	1.1
149.02440	2.2
149.04518	0.8
149.06068	0.8
151.00356	24.6
151.03986	2.3
152.01140	2.5
152.04721	2.6
153.01912	1.4
153.05582	1.6
159.04515	1.5
160.05234	0.6
161.02425	2.5
161.04512	1.3
163.04039	1.5
164.04836	0.6
165.01927	1.2
165.03954	1.2
165.05638	0.6
166.02699	82.4
167.03319	5.8
172.05373	0.6
173.02417	1.1
173.04564	1.0
173.06041	1.4
175.03960	4.5
176.04730	1.5
177.01920	4.3
177.05606	1.4
178.02660	0.7
179.03362	0.6
181.05051	100.0
182.05388	4.8
187.04031	1.6
188.04692	0.7
189.05580	1.1
190.02757	1.3
190.06360	3.0
191.03499	4.7
191.05623	3.2
192.04309	1.9
193.05070	2.0
195.03024	0.9
203.03487	2.6
203.05305	0.6
204.04099	0.8
205.05080	4.4
205.08733	1.7
206.05788	4.8
207.06610	1.5
217.05075	1.6
218.05896	1.2
219.02982	0.8
219.06593	1.3
220.07381	2.4
221.08138	7.2
222.08713	0.8
233.08179	1.8
269.04541	1.0
275.07681	1.0
283.06027	0.6
293.08676	1.4
294.05423	0.7
296.06754	0.7
299.09152	1.7
300.10059	0.7
301.07651	0.7
310.08292	1.0
325.07205	1.0
325.10785	2.0
326.07956	0.6
326.45300	0.6
327.08795	1.0
335.09976	0.6
339.08704	1.1
339.73297	0.6
341.10141	0.9
352.09485	0.6
353.10370	1.3
354.10797	0.9
356.12888	0.6
357.09726	1.3
359.11255	1.9
367.12308	0.8
369.09735	4.4
369.13751	0.7
370.09988	0.6
372.12296	2.6
373.12851	1.0
383.11185	1.4
384.12161	4.4
387.10727	14.6
387.14667	9.9
388.11267	2.1
398.13525	0.6
399.14423	21.9
400.14969	3.3
402.13181	13.0
403.13721	3.3
417.15497	77.6
418.15851	9.7
493.14798	0.9
511.16513	0.7
547.17969	1.3
555.15070	0.8
573.15778	1.2
591.17267	0.9
621.22284	1.1
663.22760	2.3
675.22968	6.4
675.33844	1.0
676.21954	0.7
681.23926	1.9
693.14185	0.4
693.23895	14.5
694.24695	3.1
711.25012	25.0
712.25049	5.3
723.24835	3.8
724.25037	1.1
735.24896	8.0
736.25226	2.3
753.25922	33.3
754.26392	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	747.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58765	0.4
59.01376	100.0
60.01713	1.3
61.87208	0.5
61.98833	0.9
63.22386	0.4
66.02619	0.5
78.95906	0.6
90.73422	0.5
112.79749	0.4
153.96359	0.5
170.66624	0.4
255.23305	1.4
281.24963	0.7
289.39767	0.5
310.30402	0.6
455.17371	4.0
469.11700	0.7
473.18369	3.8
474.18427	0.5
483.13235	1.4
484.13690	0.7
495.13245	0.8
496.13730	2.1
497.13806	0.8
510.15048	0.6
511.11835	0.5
511.16553	0.9
512.13239	8.8
513.13538	2.1
525.13910	0.9
526.14807	10.9
526.22412	0.7
527.15265	3.7
555.14734	0.6
569.16870	1.6
570.17694	0.7
586.16986	0.8
599.18085	1.7
600.18652	1.6
601.19238	3.3
602.19592	1.2
613.19373	1.1
614.20123	74.3
615.20361	19.3
618.16394	0.9
632.17426	1.1
646.19122	7.4
647.19342	2.2
673.21161	0.7
687.22955	4.5
688.23328	2.0
747.25159	61.2
748.25269	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	747.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17180	1.3
57.03434	2.7
59.01373	11.6
61.98823	1.5
65.60409	1.7
66.48071	1.6
68.99812	1.4
70.75940	2.0
70.76270	1.5
71.01385	19.7
72.99308	7.5
73.02922	2.0
74.13082	1.2
75.00872	20.4
77.56239	1.2
83.01411	1.9
85.02946	19.6
87.00877	7.2
89.02449	2.6
95.01373	5.9
99.00884	13.6
103.00384	1.8
113.02448	25.7
115.00379	3.0
117.01949	3.2
129.01920	1.8
142.33511	1.4
163.11295	2.1
175.02469	3.2
208.76314	1.5
209.11812	39.1
210.12077	2.0
212.63287	1.5
227.12820	2.0
249.06279	1.5
255.23273	100.0
256.23685	8.9
505.30106	2.6
633.72748	1.5
715.42688	99.0
716.42932	23.7
747.45349	97.3
748.45654	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
60.01703	0.1
61.98827	100.0
62.98536	0.2
70.95426	0.2
78.88436	0.1
129.96359	0.1
155.00018	0.1
158.53502	0.1
286.81549	0.1
383.20016	0.1
515.13672	0.2
529.15619	0.3
601.84967	0.1
616.21008	0.4
617.20325	1.9
649.18774	0.1
690.23700	0.2
732.92816	0.1
750.23962	3.0
751.23297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.8
59.01385	23.7
61.98822	19.8
62.68206	1.8
71.01373	9.4
71.54974	2.2
73.02941	3.9
75.00869	6.3
83.01385	2.6
83.05008	2.6
85.02946	6.4
87.00853	11.9
89.02444	5.6
93.03454	6.1
96.96004	4.8
101.02425	7.3
101.86268	1.8
113.02414	5.7
119.03524	2.0
120.01236	6.7
121.02896	2.3
123.04524	2.2
125.02444	2.9
135.08118	2.0
137.02420	5.9
139.04015	2.2
146.03720	2.8
147.04527	7.7
148.05200	3.0
149.06021	3.2
157.32883	2.2
161.02492	3.9
161.04465	2.5
163.11256	2.2
165.04057	9.7
171.10231	2.1
173.04517	6.3
175.03935	2.9
191.05588	3.0
192.04222	3.5
193.05002	4.7
195.11969	2.5
209.11819	100.0
210.12135	6.5
225.00543	2.0
227.12924	22.8
235.08157	3.0
253.09190	6.4
255.03036	5.9
271.02499	5.0
283.02515	5.2
283.20810	2.4
284.03171	8.0
298.04636	2.8
299.02066	4.8
299.05508	9.2
300.02664	8.6
313.03534	4.3
314.04224	7.2
383.24530	2.6
396.08698	5.3
411.10812	22.4
412.11176	4.1
432.29910	2.2
445.20444	8.2
459.28851	2.1
567.37335	9.1
582.62531	2.1
587.72955	2.3
637.42047	2.2
660.74023	2.3
681.18359	3.5
697.35754	2.9
698.35559	3.1
741.34509	36.9
742.22986	2.4
742.35242	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	741.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66055	0.5
57.02601	0.4
57.15361	0.5
58.00598	0.8
59.01373	3.9
61.98826	3.5
71.01375	4.6
71.54111	0.5
73.02954	1.2
78.95905	0.7
80.02662	0.4
81.03461	0.5
82.03806	0.4
83.01392	0.4
83.05025	3.3
84.02127	0.6
84.29153	0.5
85.02953	1.5
87.00875	0.9
89.02435	3.3
101.02431	3.5
113.02456	1.7
119.03504	0.8
125.09706	1.8
127.11325	2.6
135.08165	0.5
137.09691	0.6
155.10707	0.5
161.04500	1.9
163.11304	2.4
165.09114	0.8
165.12820	1.8
171.10248	1.7
172.10629	0.6
179.05698	0.5
191.10786	1.2
197.85739	0.5
199.09636	0.7
201.11311	39.0
202.11607	2.0
209.11807	90.7
210.12126	5.7
227.12869	10.4
228.13031	0.7
235.08199	6.6
236.08604	0.7
253.09274	16.1
254.09512	0.7
277.21698	100.0
278.22037	12.0
419.18985	0.9
437.20108	1.3
443.31503	1.0
445.20847	1.2
461.32611	0.5
513.30615	1.0
515.64142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
59.01385	7.0
61.98832	1.2
71.01376	7.0
72.99277	0.8
73.02940	1.4
85.02941	11.7
87.00871	10.6
88.04018	0.9
89.02442	4.0
93.03408	1.9
96.95962	1.0
98.19920	1.7
99.00849	1.0
101.02423	3.2
109.02959	0.9
113.02443	2.0
115.00324	1.3
119.03493	1.4
119.04987	2.5
121.02971	2.2
121.05054	2.7
123.00840	1.6
123.04530	1.2
125.02433	1.3
129.01903	1.9
130.99881	1.3
132.03027	1.2
135.04457	1.4
137.02371	2.0
138.03197	3.5
145.02943	2.4
147.02957	1.6
147.04485	3.3
149.06006	1.2
151.00252	1.2
153.05537	2.7
154.04404	0.8
159.04500	9.1
160.05222	2.3
161.02432	4.8
161.04681	1.1
161.06055	3.5
162.03194	1.2
163.04008	3.0
173.02406	3.5
173.04521	2.9
173.06050	3.6
174.03055	0.9
175.03979	2.3
187.03952	1.3
189.01859	2.4
189.05554	1.4
191.01973	7.4
191.03542	1.4
191.05592	3.1
193.04973	1.4
203.03482	1.4
205.03325	1.1
205.05086	1.7
207.02989	1.1
209.02983	2.0
209.05937	1.0
213.05527	1.5
223.04425	2.0
225.05588	5.3
239.06967	1.1
241.05043	3.4
241.92424	0.9
250.06972	1.5
251.03406	2.2
251.07083	1.9
253.05054	7.0
254.05637	2.4
255.02832	1.3
255.06645	1.7
256.07327	1.9
267.06583	2.1
268.07361	1.7
269.04553	16.7
269.08057	2.6
270.05258	5.2
271.06061	8.8
272.06433	1.4
277.05060	3.2
279.02899	2.9
279.06314	1.3
280.03638	1.0
281.04611	7.0
282.05182	2.4
283.05887	1.9
284.06915	8.0
285.07596	4.7
286.08420	8.7
293.04770	1.2
294.05322	1.7
294.08337	1.1
295.06021	3.4
296.03223	2.1
296.06668	2.4
297.03961	8.2
297.07608	6.2
298.04550	1.3
298.08487	1.4
299.09253	9.9
301.10724	7.7
302.11157	1.1
305.04453	1.8
308.06592	1.1
309.04041	1.0
309.07391	1.1
311.05573	3.5
312.06293	9.3
312.09985	3.2
313.07089	2.1
322.04684	2.5
323.05612	4.1
323.09146	1.1
325.07068	5.7
325.10611	1.2
326.07867	6.3
327.08768	20.4
327.12384	4.4
328.08859	3.3
329.10062	1.3
337.07184	2.7
338.07803	4.4
339.05023	2.0
341.10239	1.2
343.11597	1.4
353.10272	7.8
354.07208	1.5
355.08105	4.6
357.09784	1.1
369.09753	5.9
370.09982	1.3
371.11176	2.7
387.10947	5.5
397.09207	5.4
399.06802	1.1
411.09201	1.3
415.10190	1.6
441.08185	2.7
459.09244	3.8
611.19714	2.9
639.19464	1.9
653.20789	1.6
655.21906	2.3
681.20093	1.8
683.17969	5.1
684.18359	1.0
707.17975	2.1
743.20319	100.0
744.20844	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	747.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
56.83969	0.2
57.03428	0.2
57.37766	0.2
59.01379	5.5
68.93128	0.1
69.03455	2.9
69.48219	0.8
69.48637	0.4
69.92073	0.1
71.01378	1.2
73.02950	0.6
80.00035	0.2
81.03455	0.8
83.01378	1.0
85.02945	0.5
95.01388	1.0
97.02946	14.6
98.03286	0.4
101.02438	0.7
103.12041	0.2
107.01405	0.4
122.96017	0.2
125.02443	100.0
125.95608	0.1
126.02784	3.4
143.03496	0.2
148.11592	0.2
161.04660	0.2
179.03517	0.7
180.29294	0.2
193.32744	0.2
196.94063	0.2
203.05606	1.9
230.24121	0.2
329.08755	5.5
330.09177	0.5
373.15506	0.2
630.60663	0.2
635.62445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98832	0.7
63.02383	0.4
65.00336	0.8
69.03436	0.4
69.17337	0.9
69.17738	3.5
71.01392	0.8
83.01372	0.5
85.02922	0.5
87.00866	0.8
89.02456	0.5
93.03474	1.2
93.71365	0.4
107.01385	2.0
108.02193	1.4
109.02929	0.6
110.87919	0.5
113.02402	0.4
117.02776	0.5
117.03443	2.6
121.02938	1.5
124.01675	0.5
129.37415	0.4
133.02943	0.7
135.00887	1.0
145.02946	3.4
147.04492	0.5
148.01701	1.3
149.06044	0.4
151.00337	5.9
161.02435	1.2
163.00325	0.7
164.01183	0.8
165.04071	0.5
173.04518	1.9
178.99846	3.2
199.04068	0.6
211.04048	0.7
215.03574	0.5
216.04060	0.6
220.02998	0.5
226.02710	1.2
227.03464	3.4
228.04016	0.6
243.02956	10.5
244.03467	1.2
254.02161	2.3
255.02953	27.0
256.03287	2.3
271.02454	53.7
272.02884	6.2
273.03574	0.6
284.03299	2.0
299.01904	1.9
299.05359	0.6
300.02719	100.0
301.03250	16.3
302.03970	0.5
505.85641	0.5
577.11816	0.7
595.12976	24.1
596.13300	3.7
605.11011	0.5
621.10980	1.3
741.16620	43.6
742.16913	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	741.1881
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
58.90254	0.6
65.00323	1.3
70.71994	0.9
70.72333	1.3
76.52464	0.6
80.73660	0.7
83.01432	1.0
107.01376	1.8
108.02191	2.2
121.02907	1.4
135.00920	1.5
148.01663	1.9
151.00362	7.6
163.00368	1.2
164.01189	0.7
164.48997	0.6
167.35912	0.5
178.99883	4.5
199.04012	1.0
215.03458	0.8
226.02689	1.9
227.03535	4.0
227.49277	0.6
243.02954	11.8
244.03490	1.3
254.02226	1.9
255.02971	31.9
256.03442	1.8
271.02472	71.1
272.02893	8.8
299.02084	2.7
300.02747	100.0
301.03284	16.4
386.53043	0.6
480.11432	0.7
511.02853	0.7
729.09882	0.6
741.18799	79.1
742.19080	18.1
742.31769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98815	0.6
63.02402	0.5
65.00328	1.2
67.01871	0.2
69.47660	0.7
69.48069	0.9
71.01381	1.0
71.36533	0.2
78.89165	0.2
81.29064	0.2
81.78490	0.2
83.01392	0.6
85.02954	1.0
87.00882	0.9
91.01895	0.3
93.03454	0.6
107.01395	2.2
108.02168	1.7
109.02929	0.4
109.92061	0.2
113.02448	1.0
117.03448	2.3
119.05034	0.8
121.02938	0.9
123.00936	0.2
135.00893	0.7
145.02960	4.1
147.00916	0.2
147.04546	0.3
148.01663	1.3
151.00365	6.9
152.01089	0.3
159.04315	0.2
161.02417	0.4
163.00356	1.0
163.04031	0.5
164.01149	0.7
165.12878	0.6
173.04532	0.8
175.04042	0.4
178.99873	3.2
183.04527	0.4
183.13916	1.4
187.03996	0.3
188.04800	0.3
192.00620	0.3
193.01462	0.3
193.04985	0.3
198.03166	0.3
199.03998	1.0
201.01878	0.4
203.03391	0.4
211.04012	0.5
213.01939	0.3
213.90506	0.3
215.03502	0.6
216.04283	0.6
226.02676	1.3
227.03479	2.6
228.03912	0.4
231.44615	0.3
243.02956	10.0
244.03534	1.4
254.02234	1.9
255.02965	26.0
256.03311	2.4
267.07178	0.5
271.02451	56.4
271.90811	0.2
272.02924	6.8
273.03882	0.5
281.08612	0.3
283.02487	0.4
284.03217	0.6
289.37885	0.2
299.01968	1.9
299.05112	0.4
300.02722	100.0
301.03271	15.0
302.03845	0.7
302.15829	0.2
306.21219	0.2
343.04547	0.3
361.05753	0.3
375.23242	0.2
427.06039	0.3
490.56613	0.2
566.56219	0.2
577.12170	0.5
595.13007	31.8
596.13312	5.3
606.86725	0.3
621.10748	1.3
622.11133	0.3
741.16638	33.0
741.28143	2.6
742.17047	8.3
742.28137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57720	0.1
59.01376	0.5
61.98828	100.0
62.98542	0.3
71.01379	0.1
78.95899	0.1
89.02441	0.2
98.20686	0.2
101.02453	0.2
101.80222	0.1
105.56888	0.1
116.92871	0.2
133.61697	0.1
161.01683	0.1
209.11871	0.3
211.13452	0.2
212.13747	0.1
253.09218	0.1
255.02911	0.1
279.23361	0.2
280.23724	0.4
281.24097	0.1
300.02905	0.2
309.73303	0.1
397.13351	0.2
398.13950	0.1
399.14148	0.2
400.14343	0.1
453.20566	0.1
769.96143	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07658	0.1
58.39050	0.1
59.01370	0.3
61.98825	100.0
62.98525	0.2
67.01862	0.1
69.19688	0.8
70.23318	0.1
71.01372	0.1
75.00871	0.1
78.60011	0.1
83.05025	0.1
85.02936	0.2
87.00878	0.2
93.03465	0.3
110.00097	0.1
113.02432	0.2
137.02516	0.1
142.43546	0.1
145.02946	0.1
149.06107	0.1
152.32204	0.1
155.03577	0.1
161.02408	0.1
165.04082	0.1
165.99081	0.2
172.67061	0.1
173.04523	0.5
181.01535	0.1
182.18289	0.1
193.04985	0.1
200.04875	0.1
227.03561	0.2
228.07777	0.1
229.08699	0.3
255.03029	0.2
256.03406	0.1
271.02557	0.2
284.03229	0.3
285.03760	0.2
299.05566	0.1
300.02740	0.2
383.40131	0.1
411.10822	1.3
536.52942	0.1
678.50305	0.2
679.50311	0.4
680.50726	0.8
694.30725	0.1
705.20062	0.1
740.22198	0.1
740.49219	2.3
741.49396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
59.12125	0.3
61.91816	0.3
61.98827	38.3
63.02422	0.4
63.44471	0.3
63.78253	0.3
65.00336	1.1
67.27117	0.3
67.63861	0.3
71.01363	0.5
73.63462	0.3
74.68164	0.3
83.01386	0.6
85.02955	0.3
87.00902	0.5
93.03466	0.7
98.20746	0.6
107.01395	2.0
108.02187	1.2
109.02963	0.5
113.02462	0.6
117.03477	1.6
119.05048	0.5
121.02941	1.1
123.28065	0.3
124.01646	0.4
135.00931	0.9
135.04477	0.4
145.02959	3.3
148.01669	1.3
149.04572	0.5
149.06104	0.3
151.00357	6.5
152.01031	0.4
161.02441	1.0
163.00352	0.8
164.01137	0.9
165.04004	0.6
171.04539	0.4
173.04565	0.4
178.99849	3.5
189.01926	0.4
192.00481	0.6
199.03984	1.0
203.03468	0.4
211.04016	0.5
215.03577	0.4
216.04259	0.8
226.02716	1.4
227.03473	3.0
243.02940	9.6
244.03532	0.8
254.02158	2.0
255.02956	23.5
256.03412	1.6
271.02454	53.3
272.02942	6.2
273.03879	0.5
284.03278	0.8
285.03885	0.5
299.02023	1.8
300.02716	100.0
301.03275	15.6
411.10803	0.6
468.66721	0.4
577.11945	0.9
595.12976	26.9
596.13348	4.1
621.10779	1.5
681.24207	0.4
740.49390	0.6
741.16577	39.1
742.16833	9.5
742.29846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.6
61.98829	12.1
71.01363	7.4
78.95897	1.7
82.61600	1.0
89.02452	1.5
91.74395	1.2
92.07707	1.0
95.05015	1.3
97.02933	2.1
101.02457	4.1
105.80585	1.0
109.06545	1.8
113.02447	2.2
124.73734	1.0
125.09738	1.1
127.11300	2.1
130.18501	1.1
136.83089	1.0
139.75471	1.2
148.63879	1.1
163.11234	3.1
169.12398	1.3
171.10258	100.0
172.10608	3.4
189.09203	2.0
197.11797	2.5
198.12180	1.4
199.13329	3.2
201.11211	1.3
202.52255	1.0
207.10252	9.2
225.11316	35.3
226.11496	1.8
235.08244	3.9
243.12167	1.5
253.09299	10.1
277.21707	84.5
278.22028	11.4
279.23334	2.2
407.19205	3.7
443.19205	2.6
461.20291	8.2
513.30695	1.1
573.72308	1.2
584.24634	1.4
721.41333	3.6
739.41650	9.4
740.42389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18794	0.5
55.01889	0.5
57.03437	0.8
59.01385	5.5
61.98829	1.9
63.18295	0.4
63.91940	0.4
70.67142	0.9
71.01376	6.3
71.05034	2.5
73.02938	1.3
78.95916	0.8
81.03461	0.7
83.01410	0.7
85.02960	1.7
87.00861	1.6
89.02435	2.5
95.01369	0.7
96.65727	0.5
97.02931	3.3
97.06599	2.2
97.25140	0.4
99.00873	11.2
101.02435	3.4
109.06586	2.0
113.02441	2.1
119.03456	0.8
121.06585	0.5
123.08115	0.7
125.09705	5.0
127.11311	0.8
135.08159	0.7
136.05330	0.9
142.02696	1.1
143.03526	0.6
152.99545	0.7
161.04555	1.7
161.09737	0.5
163.11284	6.4
164.11597	0.6
171.10257	10.0
181.12338	11.1
182.12589	0.6
199.09695	0.7
199.13380	9.8
200.13759	0.5
201.11386	2.1
207.10239	25.1
208.10617	1.0
223.09747	0.6
225.11308	41.1
226.11678	2.2
235.08067	2.4
243.12315	7.1
253.09317	4.5
259.20581	0.6
277.21701	70.2
278.22034	7.3
279.23145	0.9
307.08350	0.5
443.19272	1.5
461.20267	5.6
462.20639	0.7
471.09677	0.5
479.21216	1.0
577.36926	0.6
585.54187	0.5
721.41681	7.8
722.42145	1.8
739.42676	100.0
740.43054	23.4
747.06207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28483	0.5
55.01889	0.7
57.03439	1.3
59.01377	9.4
61.98826	4.4
70.26320	1.2
70.26672	1.9
71.01379	8.7
71.05013	2.7
72.99270	0.7
73.02938	1.6
78.95905	2.1
83.05009	0.8
85.02943	2.2
87.00877	1.6
88.67596	0.7
89.02446	3.9
95.01401	0.7
95.05031	1.1
95.64791	0.7
96.96013	13.0
96.96964	2.3
97.02950	4.1
97.06570	1.8
98.61888	0.6
99.00877	12.8
101.02452	4.3
109.06593	1.6
113.02446	2.3
119.03508	0.9
123.08138	1.4
125.09751	5.6
127.11250	1.6
127.45986	0.6
136.05276	1.1
141.99615	0.6
142.02716	1.4
161.04512	1.2
161.09668	0.6
163.11284	7.4
166.48450	0.6
171.10257	13.8
172.10547	0.7
179.10690	1.5
181.12337	15.1
182.12685	0.9
197.11794	2.0
199.09726	1.1
199.13393	23.7
201.11357	1.3
207.10252	35.3
208.10579	2.2
225.11311	57.4
226.11705	4.4
227.03609	1.0
235.08168	2.0
241.90054	0.6
243.12364	14.3
244.12648	1.1
253.09328	5.6
255.03000	3.4
259.73505	0.6
277.21707	52.7
278.22076	6.4
278.84503	0.6
284.03247	3.7
443.19028	1.4
461.20328	9.9
462.20639	1.2
479.21420	2.8
577.36835	0.8
721.41803	5.1
722.41516	1.1
739.20953	2.5
739.42670	100.0
740.43073	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54532	0.5
55.01884	0.9
56.74937	0.6
57.03443	0.8
59.01378	8.2
61.98823	2.0
71.01379	9.3
71.05013	2.5
71.16782	0.6
72.99290	0.8
73.02935	1.4
83.01428	0.7
83.04998	0.9
85.02961	1.5
87.00887	1.2
89.02441	4.1
95.01408	0.6
95.05026	0.7
97.02957	3.7
97.06588	2.4
99.00877	16.9
99.01540	0.8
101.02432	3.9
109.06570	2.7
110.03757	1.4
113.02455	1.7
119.03529	0.9
121.06586	0.5
123.08160	1.3
125.09727	6.8
127.11330	0.7
135.08170	1.1
136.05284	0.7
143.18449	0.6
144.35670	0.6
152.99490	0.7
155.14342	0.9
161.04562	1.4
161.09720	0.8
163.11263	9.1
171.10265	15.9
179.10800	1.2
181.12323	16.3
182.12560	0.9
189.09099	0.7
197.11816	1.9
199.13393	11.4
201.11343	3.1
207.10246	30.8
208.10542	1.5
225.11311	48.4
226.11659	2.8
235.08195	1.6
243.12363	22.2
244.12616	0.7
253.09312	3.9
277.21713	38.7
278.21964	4.2
279.23199	1.2
281.24930	1.0
315.74857	0.6
317.72675	0.6
351.38153	0.7
384.78207	0.7
397.13382	1.4
430.87204	0.6
443.19107	0.9
461.20187	4.1
479.21292	9.2
480.21588	0.8
721.42017	2.1
739.42676	100.0
740.29651	1.3
740.43036	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	739.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98828	84.4
69.94888	9.6
69.95286	12.2
71.01367	30.2
73.02921	15.1
75.00868	11.9
78.95901	5.1
83.01363	8.3
85.02953	23.8
87.00880	42.9
88.98828	7.8
89.02438	16.2
93.03437	8.0
96.95980	9.3
98.20554	5.7
99.00884	8.0
100.27950	4.6
101.02439	22.0
109.06582	9.5
111.00837	7.6
113.02425	21.5
119.03515	5.0
123.04495	6.2
125.02493	5.4
130.99857	6.8
141.12604	4.6
145.02948	5.1
147.04488	14.2
157.93437	4.5
160.42401	5.5
161.04445	7.2
163.04022	4.8
163.11316	5.8
164.04854	7.4
165.04108	10.6
173.04515	5.1
179.05609	5.2
191.01981	6.2
191.05659	9.8
207.10240	25.0
209.11804	54.6
216.79597	5.2
216.81770	6.1
225.11308	18.9
227.12852	13.2
253.09180	6.5
254.04199	5.0
255.02948	8.5
284.03226	11.5
299.05331	5.6
314.04202	4.9
321.29840	5.5
325.18744	4.3
350.09851	5.4
443.19675	6.3
461.20026	5.7
635.30585	26.9
635.41565	19.1
636.41644	5.4
653.31750	34.2
653.40845	8.7
654.30859	6.3
671.32495	25.8
715.68829	5.0
730.25415	5.3
739.32532	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34786	1.1
54.96861	1.1
55.19660	1.0
55.83442	1.0
59.01384	7.3
61.98823	9.7
71.01364	10.3
71.01840	1.0
73.02931	2.3
78.95887	1.8
83.05023	1.3
85.02953	1.1
87.00860	2.6
89.02449	3.2
90.13612	1.1
95.05042	1.4
97.02919	1.7
99.00887	2.3
101.02441	4.1
109.06608	5.9
113.02457	2.6
125.09710	2.1
137.06271	1.1
153.06763	1.0
161.04561	2.3
161.09700	1.8
163.11270	5.0
171.10258	44.5
172.10600	1.6
181.12363	1.3
189.09138	1.5
197.11819	4.5
198.12115	1.4
199.09770	8.8
199.13440	7.7
201.11290	3.0
207.10231	16.9
225.11302	27.0
226.11638	1.4
235.08246	7.6
243.12247	2.4
245.95711	1.1
253.09258	8.9
277.21707	100.0
278.22150	8.5
279.23187	2.5
295.22839	2.0
415.75293	1.1
443.19070	3.1
461.20267	6.0
513.30469	1.3
695.40271	5.4
721.41846	7.4
722.41852	2.3
739.42065	15.4
740.42114	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	739.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.4
59.01378	2.6
61.98828	0.6
63.02419	0.5
64.05429	0.4
65.00319	0.5
65.39202	0.5
68.39407	0.5
69.03465	0.5
73.02934	0.5
75.00874	0.5
81.44226	0.4
83.01387	0.5
85.02950	2.4
87.00876	1.5
89.02461	1.2
93.03461	1.0
96.38132	0.4
98.19844	1.0
99.00887	0.5
101.02460	1.0
102.20283	0.5
107.01392	0.9
113.02457	1.3
123.04549	0.5
125.02448	0.7
132.02205	1.0
133.02960	0.6
134.03778	0.9
135.00841	0.5
145.02963	1.8
147.04503	1.5
149.06152	0.7
151.00380	1.6
159.04567	0.5
161.02406	2.6
163.00359	1.0
163.04008	0.5
163.06261	0.5
164.01126	0.7
172.05304	0.8
173.04539	1.0
173.05998	0.8
175.04007	0.7
176.01151	0.7
178.99860	0.9
183.04454	0.6
187.04027	0.9
187.07587	0.5
190.02655	0.9
190.99852	3.0
191.03441	1.4
191.05612	1.0
193.05061	0.9
197.05923	0.6
199.04103	0.6
200.04761	1.3
201.09261	0.5
204.07935	0.6
205.05238	1.0
205.07198	1.3
210.03119	0.6
211.04019	1.6
212.04660	0.5
216.07550	0.5
217.01474	1.0
227.03477	16.9
227.10690	1.1
228.04117	2.8
229.05121	1.3
233.59825	0.5
239.03482	1.6
240.04240	6.0
241.04771	0.5
245.11823	0.9
251.07286	0.8
255.02979	31.5
256.03510	4.4
257.04562	0.9
267.07013	0.6
271.09824	0.5
281.08804	0.6
283.02435	2.9
283.05127	0.4
284.03241	100.0
285.03821	17.2
286.04367	0.6
289.10788	0.7
299.05582	77.5
300.02505	0.5
300.05890	8.8
323.05536	0.8
327.01379	1.0
333.09824	4.0
337.07080	0.8
337.11441	0.9
338.07736	0.5
351.10745	0.5
382.06381	0.6
397.09265	3.0
423.07095	1.1
439.14609	0.7
597.11920	0.5
739.20703	32.5
740.21124	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	739.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.56355	0.3
63.02411	0.6
65.00330	0.9
69.38810	1.7
69.39241	1.0
72.83829	0.3
79.08590	0.3
83.01385	0.5
93.03439	0.7
95.01394	0.4
107.01373	2.6
132.02167	1.1
132.58430	0.4
135.00861	1.4
138.79749	0.3
148.40201	0.3
150.76678	0.3
151.00369	3.8
152.01105	0.4
154.51974	0.3
159.04456	0.5
160.79265	0.3
160.80904	0.3
163.00337	1.2
164.01118	0.6
169.01392	0.4
169.06537	0.4
171.04477	0.4
178.99831	1.2
183.04535	1.4
187.03999	1.4
189.05544	0.5
197.06071	0.5
199.04012	0.7
200.04671	0.6
211.03995	2.2
213.05568	1.0
214.02667	0.3
227.03484	44.3
228.03862	3.5
229.05037	3.4
239.03481	1.4
255.02971	82.2
256.03473	10.5
257.04544	3.3
283.02420	1.9
284.03244	100.0
285.03894	26.8
286.04398	1.1
308.03040	0.3
326.04059	0.5
327.05115	0.6
339.04858	0.6
575.13629	0.5
739.20874	80.7
740.21216	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	739.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.6
61.90492	1.3
70.71606	3.7
71.01378	5.0
85.02947	3.7
87.00882	1.4
89.02434	4.1
96.95977	2.1
101.02442	4.0
108.02219	1.4
108.23534	1.4
117.90353	1.6
121.02882	2.6
123.00888	2.1
125.31614	1.4
135.06606	3.4
138.03214	1.9
147.04453	2.5
153.05533	2.8
159.04510	14.5
160.05130	2.3
161.06102	2.0
163.03954	2.2
172.05281	1.9
173.02449	4.8
173.06068	10.7
175.03906	1.5
187.03970	5.6
199.03957	4.8
217.01407	4.5
225.05284	1.6
227.11003	1.3
239.07074	4.5
249.03194	2.0
249.05446	8.7
250.06306	2.8
251.07164	4.1
261.11090	2.7
265.05078	1.6
267.06558	6.2
269.04736	1.5
277.01950	1.5
277.05032	31.2
278.05469	6.5
278.50220	1.3
279.06561	7.1
281.04523	2.2
290.02060	1.5
293.04514	4.3
294.05380	8.8
295.06085	15.2
296.06812	4.5
297.04498	1.7
297.07507	6.3
305.04492	15.7
306.04919	2.0
307.05997	4.1
308.02924	1.6
310.08334	6.6
311.09268	3.8
312.09995	4.9
321.03976	3.0
321.07391	2.5
322.04788	12.9
322.08328	3.6
323.05518	31.7
323.09116	1.9
324.06015	2.0
325.07086	1.7
325.10611	7.1
327.08652	1.8
327.12289	7.0
337.07108	28.1
338.07895	41.4
339.08243	3.4
351.08838	7.2
352.09140	2.1
353.10257	69.1
354.10641	7.3
377.51437	1.6
379.08173	2.7
382.06808	2.1
387.04056	1.5
397.09259	13.0
413.12317	3.8
423.06964	6.7
443.13068	1.9
454.46585	1.7
517.13403	1.8
633.21545	1.5
651.23053	17.5
652.22998	3.0
677.21161	1.8
695.21887	29.0
696.22614	8.8
721.19659	21.6
722.20123	4.3
739.20837	100.0
740.21057	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	739.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94844	0.4
59.01384	3.2
61.98835	1.6
65.00328	0.5
65.98297	0.4
69.03468	0.7
71.30723	0.6
71.31056	0.4
73.02959	1.1
75.00874	0.9
75.81172	0.4
83.01449	0.6
85.02946	2.2
85.23897	0.4
87.00877	2.4
89.02465	1.7
90.17165	0.4
93.03457	4.6
96.96018	0.6
97.02959	0.6
99.00880	0.8
101.02477	1.1
107.01376	1.0
111.04520	0.5
113.02469	1.0
117.03450	5.5
119.05027	30.5
120.05354	0.8
121.02928	2.0
124.57187	0.4
125.02481	0.8
133.02971	0.6
134.03758	4.4
135.00880	0.6
135.04494	0.5
137.02475	3.4
141.00504	0.4
143.03519	0.6
145.02943	16.3
146.03299	0.8
147.04541	1.5
149.04572	3.2
149.06061	1.2
150.03249	0.9
151.00372	1.2
151.31953	0.4
152.01172	0.5
155.03523	0.7
160.01714	0.6
161.02383	0.9
161.06108	0.4
163.00392	1.2
163.04007	51.2
164.04349	2.8
165.04074	0.7
173.04573	2.1
175.03981	0.7
178.02682	0.9
187.03906	0.6
190.99881	2.5
191.01799	0.5
191.03496	0.5
191.05582	0.5
193.05046	5.3
195.06653	0.7
197.76570	0.4
199.04042	0.7
200.04759	0.9
205.05061	4.5
211.04005	1.8
227.03490	14.1
228.04205	2.8
229.05042	1.0
235.06123	1.2
239.03482	1.1
239.29950	0.4
240.04266	6.8
241.04868	0.9
255.02971	24.2
256.03525	4.5
257.04431	0.5
275.90173	0.4
277.07361	0.5
283.02451	4.1
284.03244	100.0
285.03714	12.0
291.65854	0.5
295.08264	1.2
296.70911	0.4
299.05585	61.3
300.05966	5.9
301.20435	0.4
337.09302	5.6
349.09128	0.9
351.10788	2.2
379.10406	0.6
381.09790	0.5
385.09247	0.9
425.34137	0.5
439.12436	33.2
440.12906	4.0
503.31992	0.6
563.17419	0.6
575.13989	0.5
593.15643	0.4
739.18762	20.2
739.33295	1.1
740.18658	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	739.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47599	0.9
57.03434	2.2
58.68903	0.8
59.01374	8.0
60.99287	1.1
61.98814	2.6
64.03205	0.9
64.94674	0.9
67.01887	4.9
69.03440	1.9
71.01382	9.4
71.54890	1.2
72.99303	1.1
73.02921	1.8
73.22952	0.8
75.00847	4.5
81.03454	1.5
83.01397	1.2
83.05009	1.5
85.02960	4.8
87.00874	7.3
89.02432	3.7
93.03452	34.5
95.01340	0.9
96.95990	2.1
99.00871	1.5
101.02438	1.5
107.01363	1.2
109.02940	1.9
111.00890	2.0
111.04510	6.6
113.02412	2.7
117.03462	16.4
118.03797	1.2
119.05046	4.9
121.02943	1.4
125.02465	0.9
129.01933	1.0
133.02953	1.6
134.03728	8.7
135.00819	1.3
135.04454	1.0
137.02443	11.8
139.03990	1.4
145.02943	37.1
146.03317	1.8
147.04530	4.5
148.05261	1.0
149.02452	2.0
149.04549	7.7
149.05942	4.0
150.03252	4.1
151.00330	3.0
155.03465	6.9
160.01653	3.4
161.02379	2.1
163.00385	1.2
163.03955	3.5
165.04007	7.8
165.05550	5.3
173.04533	81.8
174.04834	2.6
175.00383	1.0
175.03957	1.3
178.02747	2.1
178.20099	0.8
178.99850	1.6
180.04216	1.3
183.04457	1.2
185.00763	1.3
191.05533	2.0
192.04341	1.1
193.05031	14.8
195.06606	3.0
211.03973	2.5
213.05521	1.3
221.18985	5.6
227.03479	37.9
228.03813	1.1
229.04958	2.7
255.02957	65.1
256.03561	10.1
257.04468	2.8
265.18002	4.9
283.02505	3.7
283.19235	5.6
284.03235	100.0
285.03906	23.0
286.04288	1.4
297.03812	0.9
299.05441	6.4
301.20245	10.0
341.10065	1.1
349.09454	5.3
389.12189	1.8
439.12604	1.0
503.32080	1.8
563.17657	16.2
564.17841	4.2
565.28656	7.2
592.15002	1.9
592.65143	2.6
593.15076	17.7
594.15442	3.6
619.13031	1.5
653.62512	1.0
739.18835	53.6
739.33759	24.9
740.19269	12.2
740.34106	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	739.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12787	0.4
53.58853	0.5
57.03427	0.8
59.01378	4.2
61.38491	0.5
61.74122	0.4
61.98817	2.0
65.00333	0.8
67.01890	0.7
69.03451	0.9
71.54713	0.6
73.02945	0.9
75.00866	1.4
80.70555	0.4
83.01369	1.0
85.02953	2.7
87.00871	3.1
87.38448	0.5
89.02447	2.2
89.56586	0.4
90.89795	0.5
93.02491	0.5
93.03461	5.3
95.01379	0.7
95.51589	0.5
99.00878	1.0
101.02432	1.6
107.01401	1.4
108.02242	0.6
109.02923	0.6
111.00854	0.5
111.04514	0.8
113.02431	1.9
117.03463	3.9
119.05025	10.8
120.05339	0.8
121.02977	2.3
121.32771	0.4
122.11740	0.4
125.02433	0.6
128.03560	0.5
130.99872	0.6
132.02162	0.9
133.03056	0.5
133.06557	0.5
134.03737	3.3
135.00826	0.8
135.04443	0.5
137.02411	3.6
139.03981	0.5
139.43828	0.5
143.03497	0.5
145.01880	0.8
145.02943	10.5
146.03410	0.6
147.04535	2.4
148.05319	0.7
149.02390	0.8
149.04533	5.0
149.06030	1.7
150.03259	0.9
151.00360	3.5
155.03491	1.4
161.02432	1.1
163.00351	0.8
163.04001	14.4
164.01173	0.7
164.04440	1.0
165.04013	1.2
165.05569	1.3
170.38972	0.5
173.04517	4.5
175.03922	1.2
178.02675	0.6
178.99799	1.3
183.04482	0.9
187.03996	0.8
190.99878	0.8
191.03485	0.5
191.05569	1.0
192.04016	0.5
193.05017	3.7
195.06654	0.5
200.04626	0.9
205.04973	1.1
211.03987	1.7
212.04701	0.7
213.05569	0.5
221.19188	0.6
227.03485	33.8
228.03952	3.4
229.04965	1.4
239.03442	1.7
240.04251	2.0
241.04819	0.6
243.02969	0.7
255.02965	62.4
256.03500	9.1
257.04419	1.9
265.17953	0.9
283.02481	1.7
284.03244	100.0
285.03857	22.2
286.04300	1.0
299.05594	19.0
300.02823	0.8
300.06039	1.6
301.20190	1.1
325.44345	0.5
337.09201	1.4
341.10242	0.6
351.10837	4.3
355.08398	0.7
376.35452	0.6
385.09219	1.0
405.15302	0.6
439.12329	7.9
440.12292	1.0
503.32147	1.4
563.17670	0.7
565.18756	0.6
565.27893	0.7
593.14911	2.1
598.36127	0.6
739.18842	58.4
739.33655	5.0
740.19037	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	738.508
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
54.07165	0.7
56.44043	0.8
59.01373	2.0
61.98833	3.9
71.01389	0.9
71.52760	0.9
78.95900	21.8
79.95730	1.0
80.96505	1.6
84.29822	0.7
87.00864	1.0
95.67725	0.6
96.96963	1.8
122.68874	0.7
132.34615	0.6
137.02446	1.1
152.99573	14.2
207.10298	0.8
255.23311	1.1
270.19580	0.8
271.49652	0.8
277.21722	5.6
278.22049	0.9
279.23270	100.0
280.23627	11.9
281.24756	4.1
336.89728	0.8
458.26825	1.1
474.58408	0.7
483.42801	0.8
669.73627	0.8
721.41663	0.9
738.50769	40.2
739.39691	1.3
739.51337	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	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61929	0.2
54.50678	0.2
59.01378	13.6
62.11151	0.2
67.15636	0.1
71.01360	0.4
72.08533	0.2
81.03454	4.1
83.05022	12.4
84.01438	0.2
84.05340	0.4
85.02947	0.3
87.00874	0.5
98.20712	0.3
100.07638	0.3
106.20356	0.2
107.06219	0.2
108.04539	0.3
114.85400	0.2
125.07178	0.7
126.05618	0.3
143.08215	0.3
145.02908	0.3
159.04504	0.2
176.26369	0.2
207.15077	0.9
216.28952	0.2
224.17682	2.1
225.16069	12.0
226.16377	0.7
242.18683	0.5
243.43265	0.2
309.21805	0.6
324.26669	0.3
333.22894	0.5
341.29233	0.5
345.73022	0.2
367.27103	1.7
385.28439	0.3
409.79080	0.2
411.10590	0.2
433.31757	0.9
443.13391	0.6
450.34598	1.3
451.32870	7.7
452.33350	1.1
454.62924	0.2
550.43292	1.5
551.44330	0.2
565.44659	0.4
593.44043	0.4
594.44617	0.2
659.48627	1.7
660.48871	0.5
662.31665	0.2
677.49652	100.0
678.49951	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98827	100.0
62.98518	0.2
71.01383	0.1
81.73294	0.1
87.00887	0.1
89.02459	0.3
90.02869	0.1
101.02466	0.2
125.02505	0.1
182.59731	0.1
209.11832	0.1
234.74974	0.1
240.75156	0.1
254.81560	0.1
277.21741	0.3
278.22067	0.3
279.22467	0.2
293.49384	0.1
328.91727	0.1
368.80804	0.1
397.13443	0.2
398.14044	0.2
399.14111	0.3
400.14438	0.2
417.14914	0.1
572.16541	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98825	100.0
62.98539	0.2
71.01382	0.2
80.46426	0.1
85.02982	0.1
87.00874	0.1
89.02454	0.2
90.56409	0.1
98.20651	0.2
101.02451	0.2
102.02836	0.1
171.10214	0.1
207.10292	0.1
209.11809	1.4
227.12845	0.1
235.08363	0.1
253.09219	0.2
275.20435	0.1
277.21756	0.2
278.22150	0.3
279.22614	0.1
293.21216	0.6
397.13544	0.2
398.14163	0.3
399.13721	0.4
400.14288	0.1
418.15228	0.1
727.82532	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01376	30.8
61.98829	0.9
69.03453	1.9
71.01378	23.9
71.09219	1.6
72.99306	1.7
73.02941	4.0
78.95900	1.3
81.03426	0.9
83.01389	2.8
85.02940	5.8
87.00880	7.0
89.02444	20.2
94.13336	0.7
95.01384	1.4
97.02937	4.8
99.00877	2.2
101.02439	19.0
105.25892	0.9
111.04501	0.8
113.02437	9.6
119.03468	5.7
125.02444	9.8
133.05048	1.5
141.01811	0.9
143.03502	4.1
149.04535	0.7
161.04527	4.1
179.05629	3.7
209.11926	1.0
217.07034	0.9
221.06662	1.9
235.08195	8.7
253.09254	2.2
277.09454	0.8
279.23276	80.3
280.23596	8.5
287.07660	2.5
293.21170	0.7
305.08731	4.0
323.09814	1.5
397.13474	100.0
398.13852	9.6
415.14532	32.0
416.14975	2.3
489.35934	1.5
603.16992	0.8
622.56512	0.8
632.13452	0.9
677.37067	3.9
678.37207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37168	0.3
57.03456	0.6
58.00575	0.4
59.01382	5.3
61.23824	0.3
61.98829	3.1
67.01875	0.4
68.76688	0.3
69.03452	3.8
71.01375	5.2
71.05012	0.8
71.39683	0.3
72.99329	0.5
73.02946	1.1
75.00899	0.4
75.54832	0.3
80.58573	0.3
83.01353	0.7
83.05029	0.7
85.02946	1.3
87.00883	1.2
89.02431	2.5
94.19322	0.3
95.01390	0.7
95.05018	0.5
97.02950	1.0
97.06580	0.7
99.00846	0.5
101.02430	3.4
105.67263	0.4
113.02463	2.2
119.03461	0.4
123.08150	1.0
125.09731	2.0
137.09702	0.5
151.11259	2.3
153.12836	0.8
161.04564	1.0
161.09721	3.6
162.10086	0.4
169.12393	1.6
177.21100	0.3
179.05592	0.5
179.10750	6.6
180.11086	0.7
195.26970	0.4
197.11816	41.0
198.12144	3.0
205.08781	0.4
205.12396	0.3
209.11783	1.5
223.09686	1.4
235.08185	0.8
241.10916	1.8
253.09193	2.5
259.20636	0.6
275.20111	0.5
277.21701	51.2
278.22061	5.6
279.23340	1.1
408.43042	0.4
459.18677	0.9
477.19638	1.3
719.39795	0.5
737.41107	100.0
738.41394	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52924	0.3
55.01867	0.8
57.03458	0.6
57.97173	0.3
59.01377	6.6
61.98830	1.8
69.03461	3.9
71.01385	5.9
71.05022	1.5
71.16596	0.9
73.02937	1.3
76.78587	0.4
78.95890	0.5
81.03439	0.5
83.01411	0.5
83.08734	0.3
85.02951	1.5
87.00877	1.2
89.02444	2.7
95.01448	0.4
97.02941	0.9
97.06593	1.0
101.02446	4.9
113.02442	2.3
119.03516	0.6
123.08172	1.1
123.57107	0.4
125.09724	1.7
137.09682	0.4
151.11317	2.0
153.12872	1.9
157.43100	0.4
161.04550	1.1
161.09729	3.4
169.12344	1.0
177.09192	0.4
179.10774	6.6
197.11823	84.5
198.12175	5.5
205.08728	1.7
223.09747	2.8
229.97977	0.4
235.08194	0.7
241.10851	4.5
253.09259	3.6
277.21713	31.7
278.22104	3.5
279.23187	0.6
459.18585	1.2
477.19675	1.9
719.40247	1.1
737.41132	100.0
738.41431	26.1
765.49298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.9
61.70796	0.5
61.98811	1.6
63.96232	1.6
69.03441	0.8
69.62576	2.2
71.01381	9.6
72.99290	1.1
73.02935	2.7
78.98590	6.5
79.95731	13.4
80.96515	76.8
81.03462	1.0
82.99919	0.5
83.01385	1.1
85.02943	3.2
87.00877	3.9
89.02462	0.7
93.03442	0.4
94.98089	17.5
95.01419	0.6
96.96001	1.9
97.02942	1.7
98.20640	0.6
99.00878	0.9
100.65323	0.5
101.02438	3.6
106.98074	3.2
113.02425	1.5
119.03477	0.5
122.97578	4.1
125.02444	3.6
127.04026	1.2
134.97591	5.6
135.12665	0.4
136.99121	1.4
148.99138	6.9
152.98637	6.8
161.04514	0.6
164.98631	14.6
165.12862	1.3
165.98970	0.7
183.12360	0.8
183.13887	7.0
184.14168	0.5
206.99686	3.2
225.00732	24.3
226.01114	0.9
227.12839	0.8
283.04825	0.6
419.38824	0.5
450.95331	0.4
509.16873	3.3
510.17526	0.9
623.45044	0.6
633.38904	1.3
651.39441	1.1
693.41333	0.8
737.30536	100.0
738.30817	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	737.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66146	0.4
55.01860	1.1
55.88095	0.4
57.03431	0.7
58.00591	1.4
58.22909	0.3
59.01379	29.3
60.01101	0.3
61.98828	0.9
65.09953	0.3
67.67921	0.4
69.03439	1.4
71.01380	26.1
71.13573	0.4
71.13910	0.5
72.01749	0.6
72.99297	1.8
73.02943	4.0
73.33093	0.4
74.72047	0.4
81.03443	1.1
83.01386	3.3
83.04987	0.6
83.16768	0.4
85.02945	5.1
86.00125	0.4
87.00872	5.3
89.02443	20.5
95.01378	1.6
96.01784	0.4
97.02953	3.9
99.00884	2.1
101.02441	19.6
109.06564	1.5
111.00943	0.5
111.04496	0.9
113.02447	10.5
115.03969	0.6
119.03502	6.4
121.02941	0.5
125.02431	8.2
131.03499	1.4
133.05087	0.7
139.04004	0.9
143.03513	4.1
149.04573	0.8
161.04564	4.8
163.11296	1.2
179.05603	4.4
181.12567	0.5
207.10248	5.0
207.12083	0.4
208.10693	0.4
209.11749	2.9
217.07184	0.8
221.06624	1.7
225.11330	2.4
235.08215	10.4
235.10413	0.8
253.09329	2.9
261.22058	0.4
263.07651	0.9
275.20148	1.0
279.23273	79.7
279.85449	0.4
280.23618	8.5
287.07617	3.3
291.19702	1.4
293.21170	3.7
305.08716	3.9
323.09735	1.5
379.12195	0.9
397.13477	100.0
398.13815	8.9
398.85056	0.4
415.14548	32.5
416.14844	2.7
461.20352	0.8
469.84903	0.5
677.37695	2.5
699.71478	0.4
737.41119	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	733.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39002	1.3
57.03426	1.7
59.01374	14.2
61.98829	40.1
62.65953	1.3
63.23481	1.7
63.99250	4.7
71.01381	14.2
71.53231	2.0
71.53586	2.0
72.48743	1.4
72.99294	5.9
75.00868	17.2
78.95906	2.6
83.05043	1.7
84.16843	1.3
85.02512	2.0
85.02950	18.3
87.00845	6.9
89.02468	2.6
95.01369	5.4
99.00867	11.8
113.02454	17.3
115.00365	1.4
117.01913	2.5
125.09676	2.6
127.11357	1.7
155.10825	1.4
163.11382	1.4
165.12784	1.4
175.02519	3.3
201.11263	18.4
202.11720	1.9
209.11771	16.5
239.05183	1.5
247.18045	1.7
249.06139	3.6
255.23271	78.6
256.23517	6.0
555.75842	1.7
590.13049	1.8
601.44055	1.8
689.41083	8.7
715.42639	41.8
715.62000	1.9
716.43048	12.2
725.70844	1.6
733.43768	100.0
734.43970	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	734.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01506	0.2
59.01374	1.9
60.01710	0.2
61.98829	100.0
97.40251	0.2
98.19904	0.6
112.69852	0.2
114.64208	0.2
169.13112	0.2
229.07066	0.3
648.14362	0.2
674.24420	0.4
734.24268	3.7
735.24768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
59.42455	0.1
61.98826	100.0
62.98536	0.2
62.99267	0.1
65.92164	0.1
65.93479	0.1
71.01382	0.2
73.02975	0.1
75.00841	0.1
78.69906	0.1
87.00877	0.3
97.13588	0.1
98.20757	0.2
101.02471	0.1
112.04467	0.1
113.02452	0.1
134.03714	0.1
165.04034	0.1
175.03990	0.2
196.64088	0.1
209.11877	0.2
227.13013	0.1
237.04114	0.1
758.99152	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10500	0.1
59.01371	0.5
61.98827	100.0
62.98532	0.2
62.99249	0.1
65.78677	0.1
71.01396	0.3
71.62923	0.1
72.99340	0.1
73.02933	0.1
75.00859	0.2
85.02964	0.2
87.00890	0.6
96.95970	0.1
98.19787	0.2
101.02439	0.2
113.02420	0.1
117.05591	0.2
123.67354	0.1
139.04025	0.1
145.03006	0.1
147.04518	0.2
159.03038	0.1
159.04411	0.1
173.04649	0.1
173.06078	0.1
187.10776	0.1
188.04652	0.1
191.50446	0.1
205.03815	0.1
209.11778	0.2
210.12277	0.1
215.07199	0.2
218.09599	0.1
229.47121	0.1
230.91539	0.1
352.09702	0.2
367.11896	0.4
368.48587	0.1
445.15021	0.1
446.15549	0.1
447.16611	1.2
476.57239	0.1
737.40173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
59.01644	0.6
60.99305	18.2
61.98821	1.8
66.21481	0.5
73.52782	0.6
87.00876	5.0
88.00396	1.2
88.01219	0.6
88.98803	100.0
89.02441	25.0
89.03009	0.8
89.99159	1.1
92.67075	0.5
229.81285	0.6
243.13956	0.7
432.22620	0.6
438.13220	1.7
439.13974	1.3
467.13568	1.6
468.13791	0.6
481.15094	14.2
482.15826	6.6
483.16302	1.1
495.16928	1.7
496.17297	1.2
497.18271	3.3
514.14893	8.4
515.15143	2.2
528.17157	0.8
540.16473	3.5
541.16980	1.1
555.18829	40.9
556.19080	12.0
572.15472	7.2
573.15814	1.8
641.22449	1.1
642.22711	0.8
659.23566	26.2
660.23822	9.4
731.25586	7.1
732.25745	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	731.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10027	0.7
57.75600	0.7
59.01377	100.0
60.01713	1.6
61.98816	2.9
68.67941	0.7
71.17358	0.9
71.17687	1.2
89.66464	0.8
102.04802	0.8
144.80008	0.7
157.39900	0.8
184.95433	0.8
254.20691	0.8
257.53522	1.0
437.71475	0.9
465.15710	0.9
480.14270	1.2
495.92285	0.9
496.13766	3.8
510.15393	2.3
511.16321	2.2
521.14551	1.1
536.40979	0.9
539.15326	5.3
540.15985	1.3
553.17249	7.6
554.17542	2.5
582.17249	0.8
584.18823	1.7
585.20197	3.0
597.19702	2.5
598.20581	8.5
599.20642	3.5
616.18195	1.3
630.19598	8.4
671.23547	16.5
672.23828	5.1
731.25653	92.5
732.25854	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
59.54607	0.1
61.84473	0.1
61.98827	100.0
62.98516	0.1
63.79472	0.1
66.55846	0.1
71.01382	0.2
75.45502	0.1
83.32539	0.1
83.38808	0.1
85.02975	0.1
87.00888	0.3
89.02425	0.1
96.96033	0.2
112.95906	0.1
120.38129	0.1
122.97629	0.1
127.03951	0.1
147.04536	0.1
154.08420	0.1
179.73479	0.1
197.11795	0.1
197.82056	0.1
225.11441	0.1
230.12833	0.2
271.02426	0.1
437.75095	0.1
544.85071	0.1
732.35181	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
61.98836	2.4
67.78684	1.1
73.10483	1.1
78.91893	3.9
81.98621	1.2
102.43626	1.1
104.01875	1.1
105.94344	1.0
165.36778	1.1
230.30115	1.3
438.09680	1.5
442.16217	1.5
455.17123	8.0
456.17578	2.9
457.18835	12.6
458.18991	3.9
469.11313	2.8
470.16269	1.6
473.18460	9.8
474.15735	4.8
481.11499	1.9
483.12817	1.6
485.18579	5.8
496.13400	9.8
497.14465	3.0
510.15704	1.6
511.15961	11.5
512.13177	15.5
513.13550	6.4
513.20789	1.6
526.14996	11.0
527.15485	15.6
528.15997	3.4
555.19495	1.7
560.15485	2.1
583.18298	9.3
584.19104	2.9
597.20313	3.0
599.21637	8.9
600.21643	2.1
613.19421	1.8
614.20142	100.0
615.20648	47.8
616.21368	3.9
629.22626	2.5
645.22052	3.4
646.19067	13.1
647.19495	4.6
673.21472	5.5
674.20734	2.8
733.21906	1.8
733.32922	4.1
734.23090	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51666	0.1
59.01379	0.3
61.98828	100.0
71.04459	0.1
71.52857	0.3
80.96527	0.2
86.94457	0.1
108.60458	0.1
171.10234	0.8
172.10654	0.3
173.10800	0.2
179.97224	0.1
253.21700	0.2
255.23463	0.3
271.49393	0.2
277.21567	0.1
278.22046	0.4
338.45715	0.2
731.37012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45788	0.1
59.01371	0.2
59.36718	0.1
61.98829	100.0
62.98527	0.1
70.23211	0.1
71.52644	0.2
76.17114	0.1
80.96494	0.2
99.00876	0.2
110.46889	0.1
171.10321	0.4
172.10599	0.2
253.21716	0.2
255.23393	0.3
277.21704	0.2
278.22208	0.2
281.80878	0.1
281.87234	0.1
314.61969	0.1
731.43890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
60.52254	0.1
61.73095	0.1
61.98827	100.0
62.98523	0.2
69.38610	0.6
71.01389	0.2
85.02975	0.2
87.00894	0.3
88.09154	0.1
93.95865	0.1
119.03465	0.1
147.04457	0.1
173.04568	0.1
190.02707	0.2
204.52789	0.1
205.04967	0.1
209.02641	0.1
240.04236	0.1
284.03265	1.7
285.03867	0.2
299.05597	3.0
300.06012	0.3
367.10318	0.2
460.17700	0.1
667.17084	0.1
713.21472	0.1
730.37695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11613	0.2
55.01868	0.3
59.01374	14.5
60.01723	0.2
70.75304	0.2
70.75632	0.3
71.01377	1.4
73.02933	0.3
78.95898	0.3
85.02911	0.2
87.00875	0.3
89.02447	0.8
101.02410	1.2
110.17650	0.2
113.02456	0.8
125.09722	0.6
127.11273	1.3
152.99570	0.2
153.09196	0.4
161.04526	0.7
171.10251	100.0
172.10588	5.2
175.85144	0.2
179.05591	0.6
235.08170	1.6
253.09244	4.9
277.21689	50.2
278.22064	5.1
407.19168	3.2
408.19720	0.2
504.25302	0.2
513.30402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01375	33.2
60.01727	1.5
61.98837	9.0
69.03482	2.3
71.01383	14.8
72.99313	1.5
73.02942	2.7
80.02694	2.0
81.03450	3.8
81.78435	1.3
83.05021	4.3
83.06579	1.3
85.02950	3.7
87.00880	11.4
89.02433	6.4
89.46033	1.2
93.03457	1.5
95.05039	2.8
96.95988	1.8
97.02949	14.2
97.06593	2.0
99.00855	3.1
101.02440	11.4
107.05020	3.2
109.06589	52.6
110.03748	1.8
111.69849	1.4
113.02444	5.6
119.03536	1.5
121.06586	4.0
123.04501	1.5
123.08141	1.6
125.09721	8.7
129.01944	1.6
135.08134	8.5
136.05257	3.2
142.02699	3.1
147.04469	2.8
149.06068	1.4
159.04321	1.3
161.09691	4.8
163.11273	26.8
171.10275	2.0
173.06053	2.6
179.10782	2.4
181.12283	7.6
183.13855	2.5
185.11838	1.7
187.09776	3.4
189.09196	3.9
207.10246	100.0
208.10599	5.3
209.11790	14.3
223.09714	2.4
225.11310	47.1
226.11682	3.4
235.08176	3.7
237.11218	2.7
250.87526	1.7
253.09288	6.0
263.12820	3.6
281.14279	1.5
299.15024	2.2
327.19437	2.5
339.85623	1.4
343.19073	1.8
344.26389	1.6
361.19821	1.6
371.18536	2.9
387.21710	2.4
389.19519	3.1
397.20041	7.0
405.17444	3.2
405.22708	2.5
415.21268	16.3
433.22324	4.0
443.18985	3.1
461.20209	14.8
462.20218	1.9
507.25772	1.8
597.29254	4.1
598.96960	1.7
607.27557	15.1
608.27850	2.3
623.30664	2.7
625.18372	1.6
625.28540	28.1
626.28943	7.9
633.29303	11.9
634.29907	2.1
651.30145	64.0
652.30475	15.1
669.31287	32.7
670.32062	9.5
729.31891	2.9
729.44867	5.0
730.32550	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	727.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01381	3.6
60.99307	18.9
61.98827	2.3
67.88988	0.2
71.01385	1.7
72.99309	0.3
73.02953	0.8
75.00868	1.0
77.59393	0.2
78.95892	0.3
83.05026	0.4
85.02945	1.6
86.38834	0.2
87.00871	1.5
88.98805	100.0
89.02454	0.9
89.99138	1.0
93.03455	0.6
96.96031	0.4
99.00909	0.4
101.02438	1.1
111.00832	0.3
113.02448	1.0
114.64311	0.2
116.92843	0.5
119.03531	0.4
119.04970	0.3
121.02943	0.3
125.02442	0.4
130.99850	0.3
134.03796	0.5
135.04570	0.4
137.02464	0.4
145.02924	0.4
147.04567	0.5
149.02422	0.4
149.06053	0.7
160.01668	0.5
161.02388	0.4
161.04564	0.6
163.03979	0.4
164.04768	0.3
165.04030	0.9
165.05466	0.4
171.31303	0.3
173.04573	0.8
175.03972	0.7
190.02673	0.7
190.93175	0.3
193.05061	0.8
201.11302	0.8
205.05109	0.6
209.11824	3.5
219.02986	0.3
223.06139	0.6
227.03561	0.4
227.12923	0.8
235.08284	0.4
253.09465	0.4
255.02937	0.7
271.02536	0.7
272.02963	0.3
284.03198	2.1
285.03748	0.5
299.02020	1.3
299.05594	2.6
300.02917	0.6
300.05811	0.5
337.09711	0.3
411.49161	0.3
445.20840	0.4
479.33139	0.3
594.12500	0.4
629.32538	0.3
667.40283	0.7
683.36560	0.4
691.19299	0.8
727.18945	0.3
727.36121	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	727.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
57.45949	1.3
59.01377	43.0
67.01893	2.7
68.99831	1.7
69.03461	10.6
71.01385	25.7
71.52858	2.3
72.99303	2.7
73.02940	13.1
81.03463	5.8
83.01391	5.4
83.05029	3.6
85.02948	68.7
87.00872	100.0
89.02429	4.2
93.03460	7.3
95.01385	23.7
97.02952	31.7
99.00892	2.8
99.04515	4.7
101.02441	6.1
103.04000	8.0
109.02962	9.7
111.00890	10.6
111.04537	2.7
113.02438	22.0
115.00371	11.7
115.83853	1.4
119.03392	2.0
121.02857	1.5
123.04536	3.5
125.02418	5.1
127.04024	17.0
129.01950	3.4
137.02437	4.5
139.00383	14.7
141.05630	1.4
145.05109	7.5
149.06093	3.1
151.03967	1.8
155.03531	3.8
157.01408	9.6
169.05107	2.1
171.03015	2.6
173.04529	5.4
175.02469	57.1
179.03471	1.9
181.01387	1.6
191.01971	2.0
199.02458	35.3
200.02815	2.4
213.04263	2.0
217.03534	19.2
255.05051	2.1
285.06119	2.9
285.39566	1.4
293.12442	10.2
303.07196	18.9
304.07602	2.6
321.08270	6.9
323.13437	2.7
345.08255	10.9
387.09286	17.6
388.09570	1.7
405.10233	9.0
563.12457	2.1
623.14374	8.2
685.18567	2.3
709.18335	18.3
710.18390	4.3
712.61200	1.5
727.19415	31.7
728.20007	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18691	0.3
59.01377	18.1
61.98814	0.3
68.75388	0.2
70.08553	1.0
71.01387	2.1
73.02936	0.5
83.01381	0.4
85.02952	0.6
87.00883	0.9
88.64196	0.3
89.02454	1.2
98.19926	0.4
101.02431	2.3
111.89959	0.2
113.02460	1.0
119.03513	0.2
125.09705	0.5
127.11298	1.4
133.05064	0.3
145.05089	0.3
153.09207	0.3
161.04549	1.0
171.10254	87.6
172.10588	4.9
179.05669	0.3
190.48088	0.3
209.11797	0.7
225.98810	0.3
235.08174	3.3
253.09261	7.3
254.09514	0.4
259.20786	0.4
275.20032	0.4
277.21689	100.0
278.22055	10.6
279.23291	0.4
281.24805	0.6
361.32147	0.3
407.19177	1.2
513.30536	1.5
514.31006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02560	0.3
59.01369	1.4
61.39091	0.3
61.98822	0.5
67.38927	0.3
69.21916	2.5
70.02977	19.2
71.01381	3.8
72.00900	0.7
73.02956	0.3
75.00870	0.5
85.02966	1.3
87.00886	1.1
89.02451	0.4
91.05531	2.4
93.03455	1.2
96.99304	4.2
99.00877	0.4
101.02473	0.7
109.02983	0.3
111.00862	0.4
113.02464	0.8
114.01968	100.0
115.00346	0.4
115.02305	1.8
116.05050	0.5
117.03457	8.1
117.07075	0.8
118.03854	0.3
118.06667	0.5
119.03513	0.3
119.04999	0.6
119.94876	0.3
123.04491	0.3
129.01944	1.2
134.06117	16.9
135.04462	0.4
135.06500	0.6
137.02545	0.3
143.10632	0.3
144.08195	1.2
146.04640	3.0
146.06088	2.5
147.04509	0.8
148.01692	0.4
149.06126	0.5
150.03163	0.3
160.07666	2.7
160.33330	0.3
161.02428	0.8
164.01122	0.5
173.04568	0.8
176.01253	0.3
188.07153	3.6
189.01924	0.3
191.01828	0.3
191.05594	0.6
197.89764	0.3
209.03062	0.4
215.33372	0.3
227.03476	0.8
227.25636	0.3
228.03885	0.3
229.12128	0.3
232.06140	73.2
233.06482	5.7
243.10251	0.5
251.05617	0.7
251.36818	0.3
255.02934	1.2
256.03406	0.6
264.08755	19.2
265.09262	1.5
266.92990	0.3
283.02515	0.9
284.03342	2.0
285.03674	0.9
286.04318	0.4
299.05640	1.7
343.08072	0.6
461.10953	0.6
726.19836	1.1
727.21967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03449	4.3
59.01381	15.1
60.88753	0.8
61.98836	6.3
67.01842	1.0
68.99817	1.7
69.03445	3.2
71.01381	15.1
71.54610	1.0
72.99305	6.1
73.02935	3.0
74.57763	0.8
75.00871	13.4
81.03436	1.8
83.01388	1.8
83.05022	2.0
84.81373	1.1
85.02950	16.9
87.00875	10.5
88.98814	0.9
89.02447	3.8
93.03445	10.4
95.01375	3.8
96.95995	1.6
99.00890	9.8
101.02451	2.7
109.02962	1.3
111.00858	1.1
111.04550	5.6
113.02435	15.9
115.00374	1.3
117.01971	2.1
117.03436	2.0
119.04993	1.4
121.03001	1.2
123.04527	1.0
125.02381	1.1
129.01915	2.5
130.99791	1.3
135.02991	3.5
135.04512	1.3
137.02415	2.6
145.02919	4.1
147.04533	2.0
149.06053	2.9
150.03189	1.4
155.03520	6.6
161.02434	3.0
163.03960	2.1
165.04063	1.9
165.05461	1.5
171.88589	0.9
173.04567	8.4
175.02512	2.2
175.03900	1.1
190.02682	1.0
191.03702	1.2
191.05559	5.0
193.05014	2.5
219.02869	1.2
221.19080	25.1
222.19321	2.0
223.84174	0.9
227.03471	6.7
239.20183	1.2
249.06187	7.1
255.02942	11.1
256.03555	1.9
257.21161	1.1
265.18079	14.9
266.18466	1.2
267.07120	2.4
281.01349	1.1
283.19141	19.8
284.03271	18.9
285.03915	7.1
299.05518	2.2
301.20197	38.2
302.20551	2.7
324.02283	0.9
351.10828	1.2
375.24026	2.0
396.38550	1.0
459.25296	1.1
533.25806	1.3
551.27039	30.7
552.27448	3.8
579.13654	2.9
681.35785	1.0
684.62671	1.0
696.14514	1.0
725.18750	7.4
725.32257	100.0
726.21680	1.6
726.32916	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	725.1928
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01369	1.1
60.10635	0.1
63.02391	0.8
65.00316	0.8
67.12176	0.1
70.81747	0.3
70.82071	0.2
72.99314	0.2
73.02923	0.1
75.00849	0.2
77.32819	0.1
83.01366	0.7
85.02959	0.4
87.00859	0.2
88.98792	0.2
91.01882	0.2
93.03444	0.9
93.69200	0.1
95.01375	0.3
98.87523	0.1
101.02463	0.1
103.05476	0.1
107.01373	1.9
108.02209	0.2
109.02910	0.2
113.02504	0.3
117.03419	0.3
120.02175	0.2
121.43713	0.1
122.32082	0.1
125.02404	0.3
132.02165	1.1
132.03114	0.2
135.00879	1.1
135.28520	0.1
137.02377	0.2
140.48267	0.1
143.05009	0.3
145.02963	0.3
147.04526	0.6
149.06149	0.2
151.00348	4.1
152.01073	0.4
157.06590	0.3
159.04469	0.6
163.00357	1.3
164.01076	0.6
165.01833	0.3
165.05501	0.3
167.04935	0.3
167.06363	0.1
169.01421	0.3
169.06552	0.4
170.09445	0.1
171.04478	0.3
173.05984	0.2
178.99821	1.5
183.04520	0.6
183.10245	0.5
184.05119	0.2
185.02466	0.2
185.06070	0.8
187.03989	1.0
189.05540	0.3
190.99814	0.3
191.05602	0.4
195.04617	0.3
197.06001	0.4
199.03986	0.6
200.04750	0.5
201.05505	0.2
205.03508	0.2
207.06706	0.2
211.03966	2.2
212.04552	0.2
213.01924	0.3
213.05482	0.9
214.02556	0.2
214.05913	0.1
223.04492	0.7
227.03470	40.2
228.03833	3.4
229.05014	3.4
230.05344	0.2
237.96465	0.2
239.03429	1.1
240.04160	0.5
241.04970	0.8
255.02956	74.9
256.03461	10.0
257.04520	3.4
258.04901	0.3
267.02881	0.2
267.07031	0.3
269.04483	0.2
281.04297	0.2
283.02472	2.1
283.05511	0.3
284.03226	100.0
285.03894	32.7
286.04355	2.0
309.04080	0.3
326.04306	0.3
327.04947	0.8
339.04956	0.3
357.06284	0.2
357.15497	0.5
393.06177	0.5
575.13751	0.7
725.19250	75.8
726.19598	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	725.1927
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01355	0.5
65.00316	0.6
65.81643	0.5
69.18768	1.5
69.19199	2.9
79.63181	0.5
83.01359	0.6
93.03423	0.5
100.05624	0.4
107.01347	2.1
132.02202	1.0
135.00835	1.4
151.00363	4.8
152.01074	0.9
159.04390	0.5
163.00352	1.4
164.01068	0.5
171.96347	0.4
178.99768	1.5
183.04453	0.9
185.06166	0.6
187.04002	0.6
190.99899	0.6
199.04004	0.6
200.04822	0.6
210.84317	0.4
211.04005	2.0
213.05641	0.6
227.03474	33.9
228.03935	3.0
229.05089	2.6
239.03491	1.3
255.02957	69.2
256.03516	8.6
257.04498	4.2
283.02530	1.4
284.03229	100.0
285.03912	33.6
286.04330	2.1
310.72296	0.5
327.05142	0.9
339.05032	0.6
665.47968	0.5
698.45667	0.5
725.19263	65.8
726.19629	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	725.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
59.01377	10.9
66.26443	1.1
69.15216	3.8
69.15630	7.6
71.01377	9.0
72.99316	1.8
73.02926	1.9
83.01379	1.5
85.02955	9.2
87.00853	4.2
89.02425	5.1
93.03443	6.9
93.69083	1.1
95.01362	1.2
96.95968	4.1
97.90189	1.0
99.00867	2.6
101.02407	4.0
109.02914	1.8
113.02409	4.0
119.03501	1.1
119.05013	1.1
121.02911	4.5
121.05066	1.5
123.00866	3.5
124.01656	2.2
125.02403	2.1
129.01938	1.7
131.04976	1.9
132.03011	1.6
134.03670	1.4
137.02435	2.0
138.03218	2.3
145.02994	1.3
147.04480	5.2
148.05247	1.4
149.02434	1.9
149.06039	1.2
153.05511	2.8
155.03522	1.9
159.04515	13.5
160.05246	1.5
160.16795	1.1
161.02377	3.2
161.05997	2.9
163.04010	2.7
172.05212	1.4
173.02376	5.0
173.04498	4.8
173.06036	10.7
174.03110	2.3
175.02487	1.4
175.03935	2.6
180.56546	1.1
186.03035	1.3
187.03967	5.4
189.01993	1.3
189.05553	2.0
190.02609	1.3
191.01930	2.0
191.03506	1.3
191.05624	3.1
193.04860	2.3
199.03908	4.7
203.03473	1.8
209.03125	1.5
211.07544	1.8
215.03432	1.8
217.01373	4.9
223.04358	1.5
223.07680	2.2
224.04727	1.6
225.05318	1.1
227.03325	1.4
231.02681	1.4
233.06224	1.4
237.05486	1.5
238.06248	1.1
239.07104	3.3
241.37366	1.1
248.04639	1.5
249.05518	9.4
250.06413	1.8
251.07034	6.8
261.05167	1.6
266.05576	1.3
267.06589	8.7
269.04330	1.9
270.05307	1.8
276.04254	1.8
277.02283	2.3
277.05045	30.7
278.05539	6.7
279.06537	8.0
280.03793	1.6
280.07095	2.9
281.04465	2.8
293.04449	5.2
294.05313	8.6
295.06073	21.4
296.06677	5.6
297.04230	1.9
297.07547	8.7
299.05481	1.3
305.04474	16.2
306.05090	4.5
307.06006	4.3
308.03094	1.9
309.07642	3.7
310.08444	7.4
311.05560	2.6
311.09116	3.9
312.09921	4.3
313.06979	1.9
320.06726	1.9
321.03931	3.1
321.07462	2.0
322.04715	15.0
322.08359	3.3
323.05554	32.7
324.05835	4.2
325.07196	2.1
325.10727	6.5
326.07788	2.0
326.11212	2.1
327.08664	2.9
327.12317	7.4
328.09351	1.3
336.06067	1.9
337.07138	30.7
338.07886	46.4
339.08557	5.6
343.11746	2.0
351.08704	8.7
353.10263	74.1
354.10721	8.6
367.04089	1.1
369.09677	7.3
371.10980	1.6
382.06888	2.3
397.09244	11.9
398.09641	1.8
413.12482	2.1
423.07019	7.1
563.17664	1.9
586.12592	1.5
609.18036	2.4
637.21149	25.4
638.20886	5.0
638.56360	1.4
663.19000	2.6
681.20221	36.1
682.20538	7.6
707.18304	25.1
708.18329	4.1
725.19281	100.0
726.19611	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	725.1717
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
57.03447	0.9
59.01370	5.7
61.98822	3.8
63.02388	0.9
65.00338	0.8
67.01877	0.8
69.03441	0.7
69.35137	0.8
69.35539	3.0
71.01361	4.6
72.99317	0.9
73.02933	1.5
75.00868	2.2
76.70152	0.6
83.01405	1.3
85.02939	3.7
87.00859	3.6
89.02440	1.7
90.37425	0.5
93.03456	5.1
95.01402	0.8
96.96008	1.1
98.19814	1.2
99.00901	1.5
101.02431	1.1
107.01407	2.4
108.02235	0.9
111.00870	0.8
111.04523	0.8
113.02444	2.6
117.03456	16.7
118.03754	1.1
119.05013	3.3
122.86275	0.5
125.02432	1.1
132.02170	1.2
134.03673	0.9
135.00854	1.3
135.03021	3.1
137.02423	1.3
140.12531	0.6
145.02943	35.7
146.03325	1.0
147.04507	1.4
149.06042	1.0
150.03180	0.7
151.00368	4.0
152.00964	0.6
155.03455	1.1
159.04451	0.9
160.01682	1.1
161.02469	1.0
163.00368	2.2
163.03990	2.4
164.01117	0.9
165.05522	1.3
169.01405	0.9
169.06558	0.7
171.04518	0.6
173.04549	4.4
173.05925	0.8
175.03978	1.3
178.99850	1.4
183.04434	1.1
185.02336	0.6
185.06097	1.2
187.03976	1.4
189.05443	0.5
191.05556	1.3
193.05000	1.5
195.06400	0.5
199.03967	0.6
201.05394	0.6
211.03899	3.0
213.01964	0.6
213.05418	0.5
221.19125	1.5
223.06186	0.6
227.03465	37.6
228.03885	3.1
229.04944	3.2
239.03568	1.0
241.04919	0.6
249.06175	0.9
255.02959	73.3
256.03503	9.5
257.04449	3.7
265.17987	1.3
267.06918	0.8
283.02521	2.2
283.19174	1.6
284.03235	100.0
285.03925	36.6
286.04440	2.3
299.05621	1.9
301.20148	2.8
418.25797	0.6
447.09662	0.8
499.99210	0.6
551.27161	2.0
561.12225	6.9
562.12695	1.4
579.13501	40.7
580.13721	7.5
605.11322	1.1
659.30066	0.7
725.17212	48.0
725.31720	10.7
726.17480	12.8
726.30981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80901	0.4
52.15048	0.4
57.03435	0.5
58.36642	0.4
59.01379	6.2
61.98836	2.7
63.02394	1.0
65.00344	0.8
67.01900	0.5
69.03445	0.5
71.54696	0.5
73.02941	0.9
75.00877	1.2
83.01397	1.4
85.02962	2.5
87.00873	5.6
89.02458	1.4
90.86973	0.4
91.01973	0.5
91.56728	0.4
93.03451	2.5
95.01387	0.5
96.96010	1.1
99.00858	0.5
101.02421	1.1
107.01368	2.1
111.00906	0.7
113.02460	2.2
115.24441	0.5
117.03466	16.5
118.03767	1.0
119.03529	0.4
119.04999	3.2
121.02921	0.7
122.67813	0.4
123.97845	0.4
124.49323	0.4
125.02406	0.8
132.02153	1.2
133.02928	0.5
134.03790	0.4
135.00867	1.2
135.03008	1.6
135.04472	0.6
137.02411	1.4
137.03400	0.4
145.02951	37.6
146.03351	1.4
147.04475	0.8
149.02431	0.6
149.06107	1.1
150.03171	0.5
151.00366	4.5
155.03493	0.5
157.06575	0.6
159.04442	0.8
160.01675	0.9
161.02402	0.8
161.04559	0.5
163.00342	1.9
163.04007	1.6
164.01167	1.0
165.04059	0.8
169.06628	0.6
171.04503	0.5
171.10222	0.7
173.04512	2.4
175.03976	0.8
178.99850	1.7
179.03496	0.5
183.04472	1.2
185.06090	0.7
187.04008	1.1
189.05505	0.6
190.99980	0.5
191.05602	1.7
192.04234	0.4
193.05049	1.3
197.06067	0.6
199.04028	1.0
200.04829	0.6
205.05089	0.5
207.02992	0.7
211.03967	1.9
212.04695	0.7
213.05482	0.7
227.03488	36.0
228.03847	3.6
229.04977	3.8
239.03523	1.4
240.04094	0.5
241.05040	0.9
249.05792	0.5
251.07083	0.7
255.02974	62.5
256.03574	10.1
257.04587	3.2
265.04877	0.6
267.06830	2.5
268.07266	0.6
269.08231	0.4
283.02463	2.0
284.03241	100.0
285.03937	35.3
285.34625	0.5
286.04330	3.1
295.06259	0.5
297.03860	0.5
299.05603	1.1
351.10696	0.5
354.09683	0.6
447.09003	0.8
561.12634	4.9
562.13000	1.1
563.24042	0.5
579.13507	38.2
580.13782	6.4
605.11395	1.6
606.11493	0.6
649.12726	0.6
675.09735	2.1
681.34839	1.3
707.11957	0.8
725.17224	50.2
725.31848	3.3
726.17548	12.8
726.29541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61206	0.4
59.01380	4.2
61.98829	2.7
65.00320	0.8
66.31102	0.4
69.03440	0.5
73.02940	0.8
75.00861	2.2
83.01385	1.2
85.02938	2.7
87.00877	2.7
87.29335	0.4
89.02438	0.9
89.03969	0.6
93.03462	3.3
95.01364	0.5
96.96021	0.9
99.00876	0.8
101.02450	1.4
105.01956	0.4
107.01384	2.6
109.03016	0.6
113.02448	1.6
117.03461	16.1
119.03439	0.6
119.05052	3.4
124.23292	0.5
125.02431	1.1
129.01923	0.7
132.02142	1.1
134.03787	0.5
135.00919	1.1
135.03011	2.3
137.02394	0.6
138.03180	0.4
139.03801	0.4
143.05042	0.5
145.02948	34.2
146.03308	1.3
147.04512	0.9
149.06032	0.9
150.03177	0.8
151.00339	4.5
160.01653	0.8
161.02490	0.8
161.04608	0.5
163.00354	1.7
163.03976	2.1
165.04089	0.9
165.05550	1.0
169.01450	0.5
173.04547	3.4
175.03987	0.9
178.99855	1.2
180.04391	0.5
183.04497	1.3
185.02470	0.7
185.06081	1.1
186.48262	0.4
187.04016	1.4
189.05632	0.7
189.90938	0.5
191.03619	0.5
191.05615	1.1
193.05034	1.2
195.04526	0.5
195.06812	0.4
199.03966	0.7
200.04825	0.6
211.03957	2.8
212.04549	0.5
213.05473	0.9
221.19153	0.7
227.03473	38.7
228.03894	3.5
229.01289	0.6
229.05025	3.8
239.03516	1.5
241.04852	0.8
255.02966	68.8
256.03540	8.9
257.04474	3.6
261.44571	0.5
267.02905	0.5
267.07248	0.6
268.03665	0.6
283.02502	1.6
283.19061	0.9
284.03241	100.0
285.03931	36.3
286.04361	2.8
299.05533	1.3
301.20258	1.5
327.04892	0.7
339.05151	0.6
429.08176	0.9
487.25311	0.6
551.26880	0.8
561.12506	8.4
562.12732	1.2
579.13544	41.0
580.13885	6.0
605.11743	1.2
725.17273	44.0
725.31488	4.6
726.17444	11.4
726.29248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98829	100.0
62.99239	0.1
68.34389	0.1
69.03465	0.1
69.25201	0.1
69.33662	0.1
70.80707	0.1
71.01382	0.9
71.54838	0.2
73.02957	0.2
75.00866	0.3
83.01425	0.1
85.02963	0.5
87.00888	0.6
88.98807	0.1
89.02461	0.4
93.03466	0.3
96.23724	0.1
96.96008	0.2
97.06592	0.1
100.50753	0.1
101.02493	0.2
103.38222	0.1
112.98825	0.1
113.02435	0.3
119.05055	0.1
121.02931	0.1
125.02485	0.1
129.01982	0.1
130.99823	0.1
137.02473	0.2
141.13245	0.1
143.03453	0.1
145.02940	0.1
149.04584	0.7
149.06120	0.1
161.02409	0.1
161.58752	0.1
165.04100	0.2
173.04512	0.8
175.03940	0.2
193.05020	0.2
209.11870	0.2
221.76257	0.1
227.03691	0.1
254.18398	0.1
284.03351	0.5
285.04062	0.1
299.05728	0.3
328.94815	0.1
352.09723	0.4
353.09933	0.3
354.10242	0.3
355.10431	0.2
367.11804	0.6
368.11984	0.7
369.12573	0.6
370.12845	0.4
453.39603	0.1
537.27094	0.1
574.60193	0.1
580.91040	0.1
582.35999	0.1
638.30823	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.1
58.00598	0.2
59.01376	2.9
61.98829	0.4
69.03456	0.2
70.90659	0.3
71.01373	2.2
73.02933	0.4
80.02668	1.0
80.34679	0.1
81.03455	1.0
83.01378	0.5
83.05022	4.4
84.02155	0.5
85.02944	0.5
85.22918	0.2
86.59251	0.1
87.00887	0.2
89.02443	1.8
91.03996	0.1
93.03460	0.1
93.91139	0.1
95.01428	0.1
95.05024	0.6
99.00852	0.2
101.02440	1.9
109.06621	0.3
113.02447	1.3
119.03499	0.4
125.06100	0.4
131.03568	0.1
133.04967	0.1
135.08171	0.6
143.03493	0.2
147.11813	0.1
161.04591	0.8
163.11284	3.2
164.11584	0.3
165.12825	2.1
166.13109	0.2
173.09756	0.1
179.05562	0.5
181.12355	0.5
191.10791	1.0
192.52063	0.1
207.10254	0.2
209.11809	100.0
210.12149	6.5
225.11279	0.2
226.11501	0.2
227.12869	10.6
228.13228	0.6
233.22945	0.2
235.08188	1.4
253.09274	7.4
254.09673	0.3
259.20584	0.2
277.21698	46.6
278.22043	4.7
293.69632	0.1
375.56229	0.1
378.65814	0.1
445.20773	1.2
446.11130	0.1
656.42963	0.2
723.42261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59309	0.9
59.01157	0.6
59.01372	7.6
61.98827	9.1
70.75449	1.8
71.01374	6.5
73.02930	1.2
78.95905	1.1
83.01347	1.1
85.02930	1.7
87.00849	2.3
89.02437	3.8
90.75188	0.8
101.02447	5.8
106.62380	0.8
109.06603	1.6
111.08142	0.9
113.02420	2.9
119.03467	0.8
128.98843	0.7
157.04866	0.8
160.94473	0.7
161.04480	2.0
165.12828	10.1
183.13882	74.4
184.14215	4.8
207.10219	1.3
209.11880	7.9
209.76294	0.8
225.11270	1.0
227.12801	6.3
235.08206	4.1
253.09175	6.1
277.21692	100.0
278.22055	10.9
279.23032	1.7
307.50092	0.9
445.20544	3.7
463.21808	3.0
466.08450	0.9
496.72644	0.9
723.43164	99.6
724.43500	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4315
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01378	7.3
61.98827	2.5
68.08743	0.4
70.02176	1.1
70.02569	0.9
71.01385	5.8
73.02946	1.2
78.95882	0.5
81.03476	0.6
83.01353	0.5
83.05018	0.8
85.02948	1.5
87.00869	1.6
89.02423	3.3
96.78515	0.5
97.02945	0.8
97.06604	0.7
98.20041	0.8
101.02459	4.9
109.06599	1.1
110.73042	0.5
111.08147	1.4
113.02432	3.3
119.03500	1.2
145.04996	0.8
161.04543	1.8
163.11255	1.0
165.12831	10.0
166.13141	0.7
183.13884	73.6
184.14223	3.4
207.10234	2.7
208.10547	1.9
209.11848	7.8
225.11275	1.7
227.12901	4.7
233.22543	0.7
235.08189	3.5
253.09286	6.2
254.09549	0.9
275.20139	0.7
277.21695	100.0
278.22034	12.7
279.22821	1.7
445.20740	1.7
463.21603	2.5
513.30829	0.6
609.68536	0.6
723.43164	94.8
724.43542	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	723.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47006	1.1
55.01876	1.5
57.03449	2.9
59.01377	28.6
71.01377	23.3
71.53998	1.3
71.65720	0.9
72.99305	4.3
73.02972	1.7
75.00868	9.6
83.01399	1.5
85.02949	28.1
86.13556	0.8
87.00876	11.0
89.02435	7.8
91.04031	1.2
93.03460	2.0
95.01373	4.6
96.96021	1.3
99.00886	8.5
101.02480	1.9
103.00399	3.3
109.02959	0.9
111.00885	1.7
112.98605	0.8
113.02448	38.7
114.02818	1.1
115.00382	1.7
117.01980	2.4
118.05752	1.1
121.02940	1.0
125.02470	1.0
126.90505	2.8
129.01965	2.1
137.02499	1.7
147.04541	1.0
157.01610	0.9
159.60336	1.1
161.02458	0.9
163.04065	1.1
173.04565	1.8
175.02455	2.1
185.06139	1.1
187.07700	1.3
191.01967	1.6
191.05690	2.1
193.03577	3.4
193.05110	0.9
199.07588	1.0
205.07234	2.4
207.05174	1.5
209.03123	1.6
209.06146	1.3
214.06451	1.6
217.08865	1.4
223.07765	1.6
225.09264	1.8
243.10280	6.2
247.08360	1.5
249.06093	8.5
267.07193	100.0
268.07455	5.6
271.06067	1.2
291.07220	8.9
300.02798	1.6
312.06537	1.3
327.08774	1.4
331.08286	1.4
335.06180	24.4
336.06659	2.0
337.06995	1.0
353.10272	1.3
369.10223	1.0
397.09515	1.2
429.12057	1.7
451.69101	0.9
490.61688	0.9
595.13055	1.4
723.27716	41.8
724.27930	9.8
739.72107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92400	0.1
52.44744	0.1
54.24883	0.1
59.01377	1.8
61.98828	100.0
62.98518	0.1
69.87936	0.5
71.01383	0.1
71.12594	0.1
74.91409	0.1
78.95912	0.2
96.18713	0.1
105.79341	0.1
107.30360	0.1
176.98239	0.1
207.10275	0.1
211.13387	0.1
225.11372	0.3
231.65173	0.1
277.21759	0.4
279.23230	0.1
328.50873	0.1
375.34256	0.1
511.75690	0.1
514.16821	0.1
570.19385	0.1
600.20288	0.1
601.21216	0.2
602.22162	0.4
660.22968	0.3
719.25671	0.2
720.22473	2.9
721.22327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
53.28088	0.3
55.01868	0.9
57.03463	0.3
59.01380	11.2
61.42092	0.3
61.98818	0.5
67.05512	0.3
69.03467	0.4
70.65417	0.8
70.70393	0.3
71.01378	5.3
72.99330	0.3
73.02946	1.2
75.00896	0.3
80.02671	1.5
81.03446	3.1
83.01386	0.8
83.05017	2.8
84.02147	0.3
85.02943	1.7
87.00877	0.8
89.02448	3.8
93.03458	0.6
95.01408	0.5
95.05000	0.8
97.02952	6.4
99.00867	1.8
101.02439	4.6
106.04224	0.5
107.05032	1.1
109.02921	0.3
109.06586	31.8
110.03734	1.5
110.06944	1.1
111.00865	0.4
111.04529	0.4
113.02452	2.9
119.03477	1.0
121.06578	2.0
123.04533	0.9
123.08145	0.5
125.02409	0.5
125.09706	0.6
129.02049	0.3
135.08162	3.7
136.05278	1.0
141.01921	0.3
142.02693	1.7
161.04570	1.7
161.09705	2.2
163.11282	18.9
164.11627	0.9
165.09178	0.5
179.05574	0.6
179.10788	0.6
181.12318	4.2
189.09184	3.3
201.88385	0.3
207.10246	100.0
208.10599	6.0
209.11847	1.3
225.11301	35.0
226.11612	1.9
235.08276	2.7
243.12363	1.2
253.09259	13.2
254.09692	0.8
259.20724	0.3
275.20132	0.4
277.21701	74.4
278.22073	7.2
281.13919	0.7
299.14996	1.6
347.95917	0.4
358.35617	0.3
362.45596	0.3
423.32651	0.6
425.18082	0.3
441.34055	1.7
442.34128	0.4
443.19153	4.9
444.19437	0.6
461.20273	12.0
462.20511	1.2
467.31567	0.7
485.32629	0.6
626.17914	0.4
703.41052	1.4
721.41644	35.5
722.42041	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01368	0.2
54.56348	0.2
55.01884	0.5
55.40250	0.2
57.03448	0.5
59.01378	8.2
61.98823	2.7
63.98954	0.2
67.58354	0.2
69.03458	0.3
71.01376	4.2
72.99277	0.3
73.02940	1.3
73.25717	0.2
75.00863	0.4
80.02683	0.8
81.03445	1.5
83.01372	0.7
83.05018	1.6
85.02937	1.7
86.00083	0.3
87.00885	1.4
89.02438	2.7
89.41412	0.2
93.03429	0.4
95.01392	0.5
97.02942	4.8
97.06579	0.3
99.00887	1.0
101.02433	4.9
103.52807	0.2
107.05046	0.4
109.06586	15.9
110.03736	1.1
110.06926	0.5
111.00877	0.4
113.02449	2.5
115.03998	0.3
119.03519	0.8
121.06581	1.1
123.04534	0.6
125.02392	0.3
125.09739	0.4
129.01909	0.2
133.05095	0.5
135.08138	2.0
136.05304	1.1
142.02702	1.1
145.05078	0.8
161.03407	0.2
161.04549	1.4
161.09746	1.2
163.11287	9.5
164.11665	0.4
179.05542	0.5
179.10760	0.4
181.12279	1.9
189.09216	2.4
189.21936	0.2
207.10249	54.7
208.10597	3.6
209.11858	1.0
225.11302	16.1
226.11520	1.1
235.08218	5.7
236.08556	0.3
243.12383	0.5
253.09267	10.9
254.09660	0.4
259.20602	0.6
275.20004	0.4
277.21695	100.0
278.22046	9.8
281.13843	0.6
299.14987	0.7
310.41898	0.3
423.32968	0.3
425.18201	0.4
441.33759	0.7
443.19165	2.9
461.20300	3.9
462.20633	0.4
467.31598	0.4
485.32599	0.6
513.30554	0.6
536.21252	0.3
703.40601	0.9
721.41663	25.4
722.41870	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	717.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98826	19.2
78.95904	4.0
84.71737	1.5
133.05359	1.6
255.23325	2.5
443.47549	1.7
481.10950	2.1
496.13901	14.5
497.14282	5.5
510.15308	5.3
511.15994	10.5
512.16577	3.6
513.17426	1.9
528.12506	2.5
539.19244	1.8
544.15936	2.8
545.16553	2.0
567.18610	5.6
568.19220	3.2
570.17358	3.8
571.18304	6.1
597.20050	2.9
598.21136	2.2
599.21417	27.6
600.22009	8.5
630.20056	2.1
657.21942	14.3
658.21930	3.0
671.17554	2.6
717.24060	80.6
718.24353	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	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01725	0.7
61.98826	14.9
71.53604	0.8
71.96037	0.5
78.95921	0.9
94.99269	0.6
113.63824	0.7
150.24471	0.5
170.58350	0.6
417.98013	0.6
438.09680	1.2
441.15839	1.2
452.10562	0.8
453.11996	2.0
457.18991	2.3
458.19104	0.8
459.16580	1.8
467.13535	1.8
480.14529	1.0
481.10724	3.3
482.11588	1.3
495.17877	2.7
496.13770	15.0
497.14371	9.3
498.15448	3.1
510.15308	4.7
511.16293	7.9
512.17053	3.8
513.17468	4.6
523.16351	0.9
524.16614	0.9
528.13007	1.2
530.14984	0.9
534.55267	0.6
538.14740	1.2
539.19061	2.3
539.73163	0.7
544.15918	5.6
545.16504	1.2
567.18817	10.1
568.19293	2.6
570.17700	1.9
571.18201	11.1
572.18719	2.8
583.17773	1.0
589.19226	2.4
597.19965	2.2
598.20898	4.1
599.21460	35.2
600.21741	10.7
602.16180	3.0
603.16547	0.7
625.19745	1.3
630.20148	1.8
631.20319	1.6
643.20435	1.3
657.22021	16.8
658.22632	4.9
717.24121	87.7
718.24451	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40089	0.7
59.01227	4.8
59.01573	2.7
61.98682	1.8
61.99028	1.3
63.97894	0.6
69.03298	2.9
69.03706	1.1
71.01215	4.0
71.01643	1.1
71.04896	1.3
71.05231	0.8
72.08624	0.7
73.02830	0.9
73.03198	0.7
75.00774	0.9
77.43243	0.5
79.81362	0.6
79.83485	0.5
80.02546	1.1
81.03341	1.1
83.01266	1.2
83.01750	0.6
83.04832	4.2
83.05375	1.0
84.02068	0.7
84.84949	0.6
85.02760	2.3
87.00681	10.9
87.01273	2.7
89.02248	2.8
93.03294	1.1
95.01237	0.8
95.04881	1.0
96.95773	0.7
97.06443	0.8
99.00709	1.2
99.01268	0.7
101.02230	4.7
101.02945	1.0
109.06364	0.8
113.02219	2.1
119.03297	0.7
123.04321	1.4
123.07970	1.4
125.09444	2.1
130.99615	5.2
131.00658	1.3
134.03485	1.0
135.73030	0.7
147.04312	1.3
151.10997	2.1
151.61786	0.6
153.12663	0.9
161.04340	1.3
161.09398	4.2
163.10979	3.4
165.03804	1.1
165.12506	1.9
171.10027	0.7
173.04361	0.7
175.03754	1.0
175.74512	0.6
179.10458	7.5
179.28720	0.7
180.10722	0.8
191.10513	1.6
193.04723	1.7
197.11491	68.6
197.14394	1.8
198.12160	4.2
203.58910	0.7
209.11809	64.1
209.13646	3.5
209.14558	2.4
210.12143	3.9
213.05098	0.7
214.05991	0.7
223.09537	0.8
227.12825	4.6
241.10692	4.4
253.09314	3.5
254.03917	2.4
260.99667	0.6
272.70004	0.7
389.23178	0.9
414.76163	0.7
477.19754	1.1
625.32416	0.7
683.19269	1.4
687.32233	100.0
688.32471	20.8
701.20874	7.7
702.20984	1.2
719.34967	30.8
720.35321	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	715.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01364	5.8
59.71360	1.4
61.98835	3.5
71.01380	8.2
72.99303	4.3
75.00870	13.5
75.25391	1.7
83.05006	2.4
85.02937	14.2
87.00877	4.1
89.02445	2.2
95.01385	3.2
99.00874	6.5
103.00373	1.7
113.02440	13.9
117.01926	2.3
175.02467	2.1
209.11839	21.1
223.07823	1.6
227.12804	3.0
249.06015	2.5
255.23254	50.3
256.23621	2.9
257.36060	1.7
260.20700	1.6
528.61877	1.7
682.47144	1.7
715.42651	100.0
716.43182	25.3
735.06671	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	715.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61559	1.2
53.98349	1.4
57.03431	2.0
59.01377	6.3
61.98830	3.8
71.01397	9.0
71.07688	3.4
72.99283	1.7
73.02930	1.4
75.00876	10.3
81.38371	1.4
85.02939	10.8
87.00854	3.9
87.39843	1.2
89.02422	2.1
90.12026	1.3
94.55598	1.4
95.01404	1.9
99.00870	7.2
113.02452	10.6
117.01944	2.2
123.82932	1.2
165.12827	5.0
175.02492	1.5
178.44260	1.4
183.13884	35.6
184.14220	1.6
197.87247	1.6
252.86644	1.5
255.23288	51.1
256.23584	5.2
265.61157	1.3
336.77563	1.6
483.04065	1.5
505.30157	1.6
539.39697	2.4
572.76416	1.4
573.64258	1.6
619.83643	1.5
653.42560	3.5
697.42511	1.6
715.42712	100.0
716.43103	25.0
742.49451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22084	0.1
59.01369	0.4
61.98825	100.0
62.98535	0.2
71.01383	0.2
75.08364	0.1
78.95899	0.2
89.02446	0.2
101.02474	0.2
113.02499	0.1
240.50711	0.1
255.23331	0.2
256.23749	0.3
397.13766	0.1
398.14017	0.2
399.13959	0.2
400.14362	0.2
417.14944	0.1
539.22510	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98826	100.0
62.98538	0.3
71.01382	0.1
78.95927	0.1
88.67542	0.1
89.02456	0.2
98.06860	0.1
98.20627	0.2
101.02491	0.2
107.63824	0.1
226.69681	0.1
255.23355	0.3
257.23862	0.1
279.49457	0.1
334.03650	0.1
397.13330	0.1
398.13794	0.1
399.14175	0.2
716.24005	0.1
717.24231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.9
57.03410	0.9
59.01375	6.7
61.98838	4.0
69.03444	3.2
70.53857	3.0
70.75086	0.9
71.01382	5.8
72.99288	1.7
75.00835	2.1
83.01369	1.0
85.02941	3.7
87.00853	1.6
89.02428	2.3
94.84207	0.9
97.06573	1.3
97.60207	0.9
101.02422	3.0
103.49787	0.8
113.02426	3.2
116.92872	1.0
123.08149	1.4
125.09692	1.7
151.11249	3.1
161.04466	1.0
161.09685	3.5
179.10757	5.9
197.11819	32.7
197.21999	0.9
198.12119	1.9
209.11868	7.2
241.10680	1.1
253.09219	2.9
255.23283	65.1
256.23648	5.9
273.64642	0.8
293.21112	1.2
432.74744	0.9
478.44885	1.0
609.22699	0.9
715.42676	100.0
716.42889	25.1
718.99225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
58.00593	0.4
59.01377	13.6
62.34927	0.2
68.99828	0.3
69.03449	2.8
69.75363	1.3
71.01377	7.0
72.99294	0.6
73.02943	0.7
79.29244	0.3
81.03461	0.9
81.65108	0.3
83.01386	1.3
85.02946	1.3
86.11604	0.3
87.00898	0.5
89.02438	7.7
95.01400	1.1
96.20134	0.3
97.02944	12.2
101.02442	3.5
107.01385	0.5
112.49152	0.3
113.02419	2.2
114.67112	0.3
118.97359	0.3
119.03506	2.5
125.02441	100.0
126.02768	3.2
143.03514	0.8
161.04529	0.8
179.03511	0.5
179.05605	4.2
191.05653	0.4
203.05565	1.6
221.88306	0.3
273.79828	0.4
283.08057	0.4
329.08752	8.8
330.09079	0.7
341.10849	22.8
342.11142	2.0
463.59155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32878	0.4
55.01865	1.0
57.03431	1.0
58.00573	1.6
59.01378	27.5
61.98812	1.6
62.53968	0.5
65.43504	0.4
69.03442	1.8
70.75632	0.9
71.01379	25.5
72.01702	0.5
72.99298	2.6
73.02942	4.3
75.00866	0.8
78.95869	0.6
81.03461	1.1
83.01384	3.0
85.02942	6.0
87.00874	5.3
89.02441	25.9
91.04020	0.7
92.50935	0.5
95.01410	2.4
97.02945	3.6
99.00879	1.2
101.02438	19.1
107.63634	0.4
111.04491	0.9
113.01715	0.8
113.02440	10.0
113.03650	0.4
116.92879	0.7
117.89473	0.4
119.03501	6.8
120.27251	0.4
121.02929	0.6
125.02444	9.1
131.03479	1.6
133.05061	1.5
136.78342	0.4
139.03978	0.8
143.03462	2.7
149.04492	0.7
161.04541	5.3
169.05051	0.5
179.05612	4.5
181.77295	0.4
185.04382	0.5
217.07042	0.7
219.96141	0.4
221.06618	1.6
235.08191	10.6
236.08469	0.6
245.06700	0.5
253.09332	1.2
255.23270	71.1
256.23599	6.8
263.07687	0.9
269.24915	0.6
277.09360	0.8
287.07706	3.1
305.08728	4.2
311.56207	0.5
323.09808	1.0
352.78085	0.4
379.12424	0.9
397.13474	100.0
398.13876	7.7
415.14545	30.0
416.15036	2.9
419.62994	0.5
649.24164	0.6
653.37531	5.3
654.37677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52761	0.4
59.01374	1.0
61.98837	0.8
69.18096	3.1
75.00836	0.3
84.41963	0.4
85.02946	0.6
87.00882	1.0
89.71367	0.3
93.03442	0.6
111.00842	0.4
119.05057	0.8
137.02414	0.6
145.02956	0.6
149.06004	0.5
163.04008	0.4
173.04507	0.8
193.05035	0.6
240.80927	0.4
248.76323	0.4
249.06218	0.5
284.02939	0.4
387.05435	0.4
677.50085	2.0
678.50305	0.8
713.47333	100.0
714.47650	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.4
61.98828	1.0
70.91070	1.3
71.01357	1.4
72.99297	3.8
83.01389	1.2
85.02933	1.9
87.00875	3.5
93.03465	1.4
101.02412	0.9
103.05546	1.4
107.01382	2.0
108.02113	1.0
109.02937	1.1
119.05023	5.6
121.02943	1.2
125.02419	1.1
147.04518	77.8
148.04858	3.7
151.00354	8.1
153.53038	0.7
161.02464	1.5
163.00368	1.4
163.04005	1.0
165.04222	2.4
165.05556	70.8
166.05919	1.9
173.04515	2.3
178.99850	3.9
190.44768	0.7
193.05174	1.0
207.06606	47.2
208.06941	3.2
227.03456	2.1
229.04915	0.8
243.03004	4.6
254.02243	1.7
255.02951	15.2
255.05411	1.2
256.03314	1.6
271.02487	28.5
271.05466	1.4
272.02863	2.7
299.01831	0.9
300.02719	74.2
301.03421	29.5
301.83112	0.7
302.03891	2.6
351.10806	1.1
463.08777	100.0
464.09073	11.9
579.12915	0.9
715.24091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
57.26709	0.7
59.01377	8.4
61.83245	0.8
61.98843	5.3
68.99567	0.9
71.01377	6.0
71.54084	0.9
78.95891	2.5
83.05041	1.0
85.02885	0.9
89.02444	5.4
97.06577	3.3
101.02457	6.3
109.74686	0.8
113.02460	2.1
116.65726	0.8
119.03488	1.2
151.11273	13.6
152.99573	2.6
157.04977	0.9
166.50420	0.9
169.12343	100.0
170.12682	5.7
179.05606	1.1
195.10252	1.4
201.11293	1.4
209.11790	2.6
213.11334	10.8
214.11609	0.8
235.08258	1.5
253.09265	3.6
258.74496	0.8
277.21698	25.5
278.22131	2.5
279.23083	1.0
285.61978	0.8
309.85049	0.9
426.98801	0.8
431.19110	1.9
449.20285	5.9
473.17798	2.0
589.76825	0.9
649.42651	1.2
709.41559	94.0
710.41821	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70557	0.2
57.03431	0.3
59.01380	2.8
61.98823	1.7
63.69948	0.2
65.00333	0.4
73.02940	0.6
75.00848	0.7
83.01353	0.4
85.02944	2.0
87.00861	1.4
89.02436	0.7
93.03461	2.5
94.03767	0.5
95.01389	0.3
95.73821	0.3
96.95998	0.3
97.06647	0.3
99.00849	0.5
101.02422	1.0
111.00868	0.4
111.04513	0.6
113.02448	0.9
119.05005	0.8
119.42742	0.2
121.02926	0.4
123.04515	0.3
125.02417	1.1
132.02156	2.0
133.02942	1.0
134.03766	3.9
136.98795	0.9
137.02414	0.9
143.04993	0.3
145.02962	0.5
147.04449	0.7
149.06035	1.1
151.03914	0.3
155.03540	0.4
160.01646	8.0
161.02180	0.8
163.00336	0.7
163.02730	0.2
163.04024	1.1
164.04330	0.4
165.04082	0.5
165.05473	0.4
171.04581	0.3
173.04565	1.8
173.05795	0.3
175.03979	6.6
176.04503	0.6
179.03447	0.2
183.04530	0.5
184.05429	0.3
190.99850	2.0
191.05609	2.8
191.07144	0.5
192.05916	0.4
193.05008	2.7
195.06592	0.3
199.03981	0.7
200.04776	1.1
205.28636	0.3
211.04030	1.2
212.04684	0.5
227.03468	2.8
228.04214	2.3
235.06252	0.5
239.03514	1.1
240.04225	5.4
241.04648	0.8
255.02930	5.1
256.03680	1.3
267.07062	0.5
271.02499	0.3
283.02472	8.4
284.03238	73.0
285.03571	6.3
295.08237	0.6
298.04822	1.4
299.05582	100.0
300.02689	0.4
300.05914	9.3
337.09274	7.1
338.09653	0.5
341.06653	0.4
351.10693	0.5
358.07031	0.7
365.12244	0.3
369.11755	0.3
373.09460	1.3
417.09790	0.7
493.29416	0.4
637.15576	9.7
638.15955	2.5
711.19659	2.9
711.32159	4.4
712.19952	0.5
712.32446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03329	3.3
59.01376	20.1
59.85260	3.1
61.98827	26.3
69.21162	34.5
71.01385	18.4
71.54876	2.9
74.52963	3.2
85.02943	4.9
87.00889	6.1
88.98799	4.4
89.02441	16.4
101.02423	16.5
113.02432	9.1
114.40596	3.3
116.92854	6.2
125.02407	4.3
161.04643	4.3
179.05585	5.7
199.06364	3.4
235.08194	9.8
274.98315	3.5
279.23288	50.1
297.83719	3.9
374.67465	3.6
397.13431	100.0
398.14053	8.1
415.14645	33.1
472.03708	3.6
631.14783	5.0
677.37543	15.2
713.35120	74.2
714.35791	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	713.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03445	2.3
58.00578	0.8
59.01378	13.3
61.98826	3.0
65.00303	0.5
67.01900	2.0
68.99810	2.3
69.03441	1.6
69.36239	1.6
69.36666	1.1
71.01377	17.5
71.77309	0.3
72.01707	0.5
72.99297	2.3
73.02950	3.1
75.00877	1.7
81.03468	0.7
82.52264	0.3
83.01383	4.1
84.14730	0.3
85.02945	16.1
86.00073	0.7
86.03285	0.5
87.00876	9.5
89.02451	3.2
93.03441	1.6
95.01394	3.1
96.95998	1.4
97.02946	1.1
98.19970	0.9
99.00870	2.1
99.08143	0.9
100.01669	0.4
101.02439	6.1
109.02948	0.6
111.00879	4.8
111.04523	0.5
112.01637	1.2
113.02451	12.9
119.03526	0.5
119.05024	0.8
121.02908	0.8
123.04554	0.5
124.01641	0.8
125.02460	1.8
127.03968	0.4
129.01950	1.9
130.99876	0.7
131.03456	0.5
132.02106	0.5
133.02907	0.7
134.03687	1.5
137.02425	1.0
139.00339	1.3
141.01956	0.5
141.12834	1.0
143.03482	0.5
145.02956	0.5
146.03708	0.6
147.04532	1.0
149.06041	1.4
160.01674	1.9
161.02490	1.8
163.03954	0.6
165.03992	2.2
165.05420	0.8
171.10280	1.0
173.04514	1.8
173.05901	0.4
175.02620	0.5
175.03940	2.6
179.03485	0.5
189.04002	0.7
191.01883	0.7
191.05577	0.6
193.05016	1.0
201.05511	0.5
205.07173	1.0
212.98575	0.3
227.03485	0.6
235.05952	0.6
241.21709	0.5
255.02844	0.7
263.07776	2.3
269.21127	2.1
271.02618	0.9
272.03198	2.2
272.08844	0.4
281.08762	1.0
283.19287	0.4
284.03238	4.0
285.03873	0.7
285.07571	0.5
285.20667	0.5
287.05661	2.0
287.22272	25.8
288.22632	2.6
299.05560	4.0
300.05936	0.6
301.20071	0.4
329.06720	0.4
329.23099	1.0
334.64212	0.4
351.10910	0.8
413.25626	0.5
419.11389	1.3
431.26440	9.1
432.26929	1.0
449.27521	35.5
450.27847	4.6
565.28662	0.5
581.15778	0.5
663.32678	0.5
669.30884	0.6
681.33521	1.8
695.20801	0.8
713.36011	100.0
714.36267	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	709.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03447	4.6
58.00592	0.6
59.01378	32.3
60.25090	0.4
61.89924	0.4
65.00309	0.6
67.01877	0.6
68.99809	1.0
69.03445	1.4
71.01378	25.6
72.99306	4.0
73.02933	3.4
75.00871	11.6
83.01392	1.8
83.05023	0.5
85.02949	27.2
87.00874	10.9
89.02438	10.2
91.04016	1.2
93.03451	1.2
95.01401	5.6
96.96008	3.8
97.02962	0.9
99.00877	8.8
99.04501	1.8
101.02432	3.5
102.74060	0.5
103.00385	3.0
111.00882	1.8
111.04507	0.7
112.01655	0.7
113.02448	38.8
114.02785	1.5
115.00377	2.1
117.01917	2.1
119.03514	0.5
119.05008	5.4
121.02936	0.8
122.49449	0.6
123.04504	0.5
125.02430	1.8
127.03969	0.8
129.01930	1.9
131.03477	1.8
137.02446	0.9
139.00397	0.6
143.04961	0.6
145.02959	1.3
147.04463	1.1
149.02403	0.8
149.04556	1.1
151.00331	1.5
152.24493	0.4
155.03543	0.5
157.01422	1.2
159.03021	0.5
161.04556	2.3
163.00351	0.9
164.01100	0.4
165.01888	0.7
166.02646	0.6
167.03502	1.1
173.04489	1.2
175.00346	2.1
175.02525	2.4
177.01854	0.5
178.02733	0.5
179.03557	0.6
189.01970	0.6
190.99799	0.7
191.03540	0.5
191.05573	1.6
193.01555	2.6
193.03410	2.8
193.05011	0.7
205.01382	0.6
205.05318	0.6
205.07144	2.3
207.03217	0.6
207.05042	1.4
211.04001	4.3
217.01305	0.6
220.73744	0.5
227.03476	0.8
228.03915	0.6
229.12906	0.7
239.03482	3.4
240.04289	1.6
241.05035	0.9
247.08157	1.5
249.06131	7.6
255.02960	0.6
267.07187	100.0
268.03796	3.0
268.07422	4.6
269.04526	4.5
271.06104	1.3
283.02533	0.5
284.03244	13.6
285.03741	1.3
291.07211	9.9
295.06076	1.7
299.05548	13.3
300.05820	1.1
312.06241	1.4
313.07159	10.5
314.07437	0.6
325.06607	0.7
335.06186	25.2
336.06375	1.5
343.08051	2.5
351.10751	0.6
397.09247	1.0
445.11334	8.2
446.11642	1.2
485.23914	1.1
565.15631	2.1
665.27911	1.6
709.19324	9.3
709.29425	30.4
710.19678	1.5
710.30145	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	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92419	0.5
59.01385	0.9
61.98792	0.5
63.96217	1.4
69.03431	0.9
71.01381	7.9
73.02948	2.0
73.90010	0.5
78.95921	1.0
78.98585	7.1
79.95736	13.2
80.96514	77.8
81.03462	1.0
85.02930	2.4
87.00883	3.3
94.98085	16.8
96.96002	1.6
97.02955	1.9
101.02422	3.2
106.78039	0.5
106.98093	3.5
118.02384	0.6
122.97579	3.2
125.02444	3.9
127.04005	1.1
134.97588	5.4
136.99088	1.0
148.94228	0.5
148.99132	6.2
152.98631	6.2
164.98618	11.6
171.10242	1.9
179.59616	0.5
206.99660	3.7
225.00732	21.3
226.01004	0.7
255.23250	1.2
277.21729	0.7
279.23267	9.8
280.23517	1.1
281.25031	0.8
305.31961	0.6
453.14371	3.1
537.27374	1.6
709.38336	100.0
710.38690	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	709.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
56.15115	0.4
57.03222	0.5
57.03452	4.2
58.00592	0.9
59.01379	32.3
61.27106	0.4
67.01888	0.5
68.99815	0.8
69.03463	1.0
69.84289	2.5
70.64421	0.4
71.01379	24.7
72.99314	4.2
73.02954	2.2
74.98662	0.4
75.00871	12.0
81.03452	0.6
83.01395	1.4
84.02187	0.5
85.02946	25.7
86.03275	0.7
87.00869	10.8
89.02444	9.6
91.04018	1.0
93.03446	1.9
95.01392	5.9
96.95965	0.4
97.02919	0.7
99.00886	7.0
99.04520	1.3
101.02445	1.9
103.00373	2.5
109.02956	0.7
111.00853	1.8
111.04504	0.5
112.01628	0.7
113.02448	35.6
114.02766	1.4
115.00379	1.4
117.01949	2.2
119.03554	0.5
119.05012	1.2
125.02451	0.6
129.01958	1.8
131.03528	1.7
137.02412	0.6
137.30252	0.4
143.03508	0.4
145.02939	0.8
147.04568	0.5
149.04559	1.0
153.01889	0.4
157.01422	0.8
159.02957	0.6
160.90028	0.5
161.02356	0.7
161.04584	0.5
173.04558	1.6
175.02431	2.4
177.01907	0.9
191.05644	1.5
193.03528	4.6
193.05083	0.7
205.01491	1.2
205.07173	3.0
207.05095	1.5
219.03171	0.5
227.07298	0.5
237.53979	0.4
247.08215	1.0
249.06134	7.3
256.03452	0.5
267.07202	100.0
268.07538	3.9
284.03256	4.4
285.03625	0.4
287.09155	0.7
291.07217	10.2
299.05643	4.8
325.07117	0.7
335.06183	28.8
336.06485	2.2
343.08203	0.4
379.08218	0.7
394.59573	0.4
475.12466	3.4
476.12366	0.7
490.54382	0.6
534.20795	0.5
665.25818	0.5
709.29285	32.1
710.19348	0.7
710.29810	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	709.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
56.42250	1.4
56.94295	1.7
57.03445	4.8
58.00587	2.0
59.01379	47.6
61.98829	59.4
62.72026	1.8
67.01880	5.5
69.03443	2.8
71.01378	31.1
71.54229	1.6
71.54589	1.6
72.99299	3.6
73.02933	6.5
75.00875	7.7
81.03454	3.9
83.01370	5.7
83.05025	4.1
85.02953	24.6
87.00864	16.7
88.98798	1.6
89.02419	4.8
93.03459	39.9
95.01396	2.0
96.96029	9.0
97.02934	3.0
99.00874	6.8
101.02441	10.6
102.95515	1.7
104.62903	1.7
109.02922	3.3
111.00895	2.7
111.04513	14.3
113.02457	12.7
115.92070	2.0
116.92825	4.4
117.03496	2.0
119.05022	16.2
121.02941	2.6
123.04502	3.9
125.02443	5.1
127.03986	1.7
129.01927	3.3
133.02937	1.7
134.03706	5.2
137.02460	13.9
143.03467	2.0
145.02942	6.7
147.04538	4.3
149.02533	1.9
149.06029	5.2
150.03185	4.5
151.00374	1.8
151.03932	1.6
155.03511	18.1
161.02400	5.1
161.04495	2.0
163.04021	23.1
164.04710	2.0
165.04010	4.7
165.05530	5.6
171.10274	3.0
173.04541	55.4
174.04805	2.7
175.03961	3.2
190.02621	2.8
191.04088	1.9
191.05591	13.7
193.05153	7.7
195.06648	2.4
201.11287	6.8
209.11792	13.7
214.02754	3.1
227.03580	2.9
227.12845	2.6
241.01462	2.3
241.21782	2.1
242.02203	3.4
245.00900	1.8
253.09384	2.6
255.02962	3.8
267.07208	13.1
269.21002	3.0
270.01645	5.2
271.02344	6.3
280.53983	1.6
284.03204	7.6
285.03784	2.1
287.22256	36.8
288.22528	2.7
291.07104	1.8
298.01138	3.5
299.01907	10.0
299.05502	5.4
300.02759	7.9
319.08105	3.7
335.06067	2.4
349.09216	4.0
431.26419	19.9
441.35782	1.8
449.27509	55.8
450.27872	6.6
463.25415	3.9
491.28601	93.1
492.28775	13.2
563.17877	7.6
594.11987	5.2
595.12494	2.1
665.33917	100.0
666.34155	17.1
709.19482	4.0
709.37421	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	709.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78539	1.3
55.01917	1.4
57.03444	13.3
59.01107	1.7
59.01377	19.9
61.98825	2.1
65.00323	1.8
69.03421	2.2
71.01382	13.9
71.54217	1.5
72.99310	2.3
73.02936	3.2
75.00851	3.3
81.03443	2.7
83.01385	5.3
85.02946	16.1
87.00858	6.9
89.02444	6.6
93.03440	11.5
95.01360	2.3
96.96001	3.9
97.02917	3.8
98.95562	1.6
99.00844	2.3
99.04503	11.5
101.02455	7.6
105.03471	2.8
107.01369	5.3
109.02966	1.0
111.04508	1.4
113.02447	6.0
114.93397	1.9
115.00321	1.4
117.01957	1.4
117.03423	2.1
119.05025	49.9
120.05325	3.1
121.02928	4.2
123.00868	2.5
123.04504	3.0
125.02438	16.7
129.01952	2.0
131.01358	8.6
133.01411	1.7
133.02882	1.6
135.00821	2.4
135.04539	2.6
136.01628	5.1
137.02431	7.7
143.04976	3.5
145.02968	9.4
147.04503	2.7
149.02443	8.8
149.04640	1.6
149.05986	2.3
151.00351	13.0
151.04047	2.1
155.03430	2.0
161.02396	5.3
161.04546	17.4
163.00357	10.6
163.04016	3.5
164.01099	5.2
164.04665	1.5
165.01904	9.9
166.02681	2.2
167.03508	8.9
173.04535	7.2
175.00357	26.3
176.00998	1.4
177.01918	4.9
177.05347	1.5
179.03442	3.9
185.06041	1.9
187.03943	4.7
189.01904	1.9
191.00070	2.0
191.01962	5.6
191.03485	5.0
191.05466	2.6
192.00647	6.0
193.01395	28.7
193.05005	1.9
194.01756	1.7
197.05934	1.3
199.07628	1.6
205.01466	2.6
205.04991	2.7
206.58913	1.2
207.03015	1.4
209.02965	9.1
210.01668	1.3
211.03838	1.3
217.01396	3.6
219.02968	2.9
223.02409	2.3
227.03412	3.1
227.07182	1.4
255.02959	2.4
263.07602	3.2
267.07114	11.9
268.07227	1.3
269.08243	1.6
271.06070	10.7
283.02664	1.5
283.06046	6.1
284.03287	22.2
284.06580	2.5
285.03531	2.6
293.08731	1.4
295.06049	17.5
297.07605	2.4
299.05380	28.5
300.05829	2.1
312.06335	15.6
313.07144	100.0
314.07480	8.0
325.07306	5.6
337.06924	2.6
343.08209	27.9
344.08337	2.3
355.08224	2.4
379.08051	1.6
397.09094	4.5
403.70026	1.2
415.10135	4.6
423.07043	2.1
445.11368	80.9
446.11829	7.8
475.12726	2.2
535.31122	1.8
547.14215	4.9
560.32202	1.2
563.15405	2.1
565.15552	29.5
566.15820	3.1
577.14801	3.3
607.16815	9.8
608.16656	1.9
647.20142	2.1
696.37329	1.3
709.19641	75.4
710.20081	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	709.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
57.03452	12.6
57.34364	1.0
59.01376	23.2
61.98816	1.7
65.00301	3.8
67.01872	1.4
69.03439	2.3
69.50175	1.8
69.50586	5.4
71.01379	16.9
72.99294	4.1
73.02939	4.1
75.00851	4.8
75.83933	0.9
76.40800	0.9
81.03440	3.3
83.01358	4.7
85.02947	21.9
85.37183	1.0
87.00869	7.9
89.02441	8.1
93.03463	10.5
95.01374	2.5
96.96019	5.1
97.02932	3.2
98.95571	3.1
99.00869	2.9
99.04516	13.5
100.67027	1.2
101.02441	8.6
103.01888	1.5
107.01359	8.0
108.02135	1.9
109.02944	2.3
111.00866	1.8
111.04489	2.6
113.02446	10.2
114.93382	1.2
115.00348	2.1
117.03427	1.3
119.01320	1.3
119.05030	54.0
120.05313	2.6
121.02969	7.0
123.00847	4.4
123.04491	4.5
124.01649	1.2
125.02445	20.2
129.01926	2.4
130.99855	1.4
131.01401	8.0
133.01364	1.6
133.02945	2.0
134.03687	1.6
135.00853	2.2
135.04472	3.7
136.01614	4.9
137.02472	7.8
140.30106	1.1
143.04985	4.0
143.28069	1.0
145.02942	8.6
147.02917	1.8
147.04501	4.1
149.02449	9.6
149.04488	1.4
149.06000	3.2
150.03163	1.3
151.00374	9.5
151.03969	2.5
152.01093	1.7
153.81174	1.3
155.03468	2.6
161.02370	3.9
161.04546	17.4
161.05865	2.5
163.00368	10.3
163.03979	4.4
164.01129	5.2
165.01924	10.0
165.05528	1.2
166.02652	2.3
167.03481	12.0
173.04546	9.8
175.00362	25.6
175.02155	1.3
175.02440	1.2
175.03851	2.4
176.00711	1.6
177.01923	5.9
178.02534	1.5
179.03398	4.6
185.06087	2.0
187.03970	4.0
189.01898	4.1
190.02623	1.8
190.99965	1.8
191.01921	7.0
191.03506	4.2
191.05539	4.7
192.00571	4.9
193.01425	27.7
193.04956	1.6
205.01421	5.1
205.03136	1.3
205.05139	1.3
205.06946	1.7
206.80125	1.0
207.03001	2.4
209.02980	10.4
210.01636	1.5
211.03905	1.6
217.01353	2.9
219.02908	3.3
223.02405	3.0
227.03416	3.2
227.06779	1.4
231.02864	1.3
233.06705	1.4
239.03453	1.4
240.04305	2.0
243.10007	1.2
249.06035	1.3
255.02820	3.2
263.07571	3.7
267.07178	21.7
269.04547	1.5
269.08054	3.1
271.06088	10.8
283.06021	3.6
284.03311	22.6
284.06769	3.0
285.03546	2.8
293.08682	2.0
295.03079	1.6
295.06091	19.7
297.07672	1.6
299.02078	1.6
299.05450	33.7
300.02805	1.6
300.05719	2.6
311.05444	1.9
312.06357	16.9
313.07147	100.0
314.07541	7.3
325.07318	5.1
335.06067	2.1
337.06985	1.6
343.04129	1.9
343.08191	33.9
344.08578	2.9
355.08060	1.2
367.08148	1.4
392.55026	1.2
397.09521	6.0
415.10080	4.6
445.11377	79.5
446.11707	8.7
475.12451	1.5
483.16403	1.4
524.20251	1.5
535.31274	2.0
547.14355	3.9
563.16443	1.5
565.15564	29.2
566.15906	5.8
577.15485	1.8
607.16608	7.3
647.19580	2.2
691.19470	1.3
709.19476	70.9
710.19977	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	709.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.4
58.00583	1.9
59.01373	18.5
61.98814	1.9
68.99716	1.8
71.01381	26.3
71.53748	1.9
72.99300	8.4
73.02937	2.2
75.00871	13.1
83.01361	2.0
85.02948	29.7
87.00887	14.3
88.03991	5.8
89.00281	1.9
89.02441	9.2
90.60608	1.5
93.03426	2.8
95.01357	4.6
96.96003	8.6
99.00883	12.3
101.02407	2.9
103.00316	3.4
109.02888	2.5
113.01730	1.9
113.02448	26.0
114.01969	1.7
115.00302	4.8
119.04993	2.7
119.48016	1.7
121.02956	8.6
123.00826	2.1
124.01653	3.1
125.02381	5.5
129.01875	2.2
131.03458	2.5
131.07039	1.8
132.03027	10.1
137.02377	5.5
138.03185	3.6
143.04817	1.8
143.90282	1.8
146.03630	2.6
147.04442	5.6
149.06017	2.5
153.05521	3.2
159.04509	32.5
160.05119	4.9
161.02354	3.5
161.06102	10.0
163.03946	4.2
172.05185	1.9
173.02328	3.1
173.04500	4.4
173.06033	21.0
174.03093	2.0
175.02370	1.8
186.03166	1.6
187.03882	4.6
191.05508	6.7
193.04955	3.3
199.03856	5.0
203.03365	3.2
211.07469	1.8
217.01326	3.5
228.08589	1.8
229.01256	4.0
231.02832	2.4
239.06961	2.4
242.02046	2.1
249.05800	11.9
250.06923	5.5
251.07277	9.1
252.07492	2.0
265.04819	2.8
267.07129	36.4
269.04355	2.6
269.08139	2.3
271.05820	3.9
277.05075	17.1
278.05609	4.0
279.06595	9.6
280.06952	2.3
281.04459	4.1
282.05328	3.4
283.06189	1.8
293.04514	3.4
294.05096	6.6
295.06006	8.5
296.06711	4.3
297.07700	17.6
298.07950	4.0
305.04654	7.5
306.04947	3.5
307.05878	4.6
308.06650	3.1
309.07614	2.6
310.08191	3.7
311.09125	3.6
312.09955	11.8
321.03766	4.8
321.07324	3.0
322.04562	8.7
322.08447	3.4
323.05402	16.8
323.09180	5.6
324.05838	3.5
325.10529	6.6
327.08954	2.7
327.12155	11.0
336.06192	3.3
337.07025	13.5
338.07922	23.0
339.08066	4.2
351.08765	8.2
353.06418	2.3
353.10257	29.4
354.10663	3.4
371.11023	1.8
379.07965	5.2
387.16501	1.8
396.08002	2.7
397.09229	11.8
423.07208	13.4
424.07690	2.0
495.34158	2.0
515.12054	2.2
559.17999	2.2
593.15125	2.4
603.17462	2.9
621.18286	17.4
622.18298	2.9
647.15338	4.5
665.16931	24.4
666.17377	3.5
691.15045	100.0
692.15424	20.6
709.15765	58.4
709.28442	1.9
710.16656	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	707.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98016	0.7
55.01886	1.9
57.03453	3.3
58.00597	1.2
59.01378	100.0
60.01725	0.9
61.98790	0.7
69.03448	1.1
71.01379	42.7
71.54146	0.8
72.99303	4.9
73.02943	12.7
75.00870	11.6
83.01398	5.1
83.05014	0.7
84.43739	0.6
85.02947	30.6
85.98598	0.6
87.00867	11.2
87.01363	0.7
89.02440	17.8
91.04034	1.1
93.03453	3.9
95.01393	6.6
96.96004	1.1
97.02977	0.8
97.06613	0.6
99.00875	9.2
99.04504	0.8
101.02439	15.1
103.00374	2.1
111.00938	1.8
111.04549	0.9
111.54440	0.7
113.02448	44.2
114.02776	1.4
115.00351	1.6
117.01942	2.1
118.20411	0.7
119.03522	4.9
119.05029	0.7
121.02988	0.9
123.04579	0.9
125.02440	3.2
127.04008	0.8
129.01918	3.1
130.99908	0.8
131.03503	1.7
134.03719	0.7
137.02429	1.0
143.03502	2.7
144.44586	0.6
145.02983	0.9
147.03081	0.9
147.04465	1.8
147.70439	0.8
149.04541	1.8
149.06062	1.2
151.00186	0.6
155.03465	1.3
157.01469	1.1
161.02475	1.4
161.04546	5.8
163.04010	0.9
173.04539	2.4
175.02548	1.6
179.05562	2.2
191.03523	1.8
191.05594	4.1
192.06071	0.7
193.03534	3.3
193.05077	1.5
201.11288	1.6
205.07178	2.3
207.05042	0.8
208.17361	0.8
209.11874	2.9
219.10092	0.7
223.07635	0.9
227.03561	0.8
227.12869	0.9
243.10263	1.1
245.14127	0.9
247.08183	1.6
249.06143	7.6
251.11467	0.8
255.02928	1.4
267.07196	97.4
268.07458	5.4
284.03244	1.6
291.07230	9.0
292.07474	0.9
319.10291	0.9
335.06180	24.1
336.06421	1.7
372.86603	0.7
379.45557	0.7
403.53857	0.7
408.20758	0.7
499.25558	7.8
500.25824	0.9
517.26569	14.2
518.26770	1.8
535.27509	3.5
559.27490	9.8
560.28296	1.6
577.28558	9.2
578.28876	1.0
619.29974	1.2
630.78949	0.7
707.27563	29.9
708.28406	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	705.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40519	0.3
57.03422	0.5
59.01378	5.4
61.98596	0.3
61.98830	3.4
65.00293	0.3
69.03432	0.5
69.26478	1.6
69.26904	1.1
70.02225	0.3
71.01379	4.1
73.02932	0.7
75.00853	0.9
80.02673	1.2
81.03455	1.1
83.01373	0.6
83.05027	5.2
84.02167	1.2
85.02939	2.6
87.00867	2.3
88.98808	2.5
89.02433	2.0
95.01398	0.5
95.05015	0.7
96.96001	1.4
99.00855	0.9
101.02435	2.1
112.54134	0.3
113.02430	2.1
119.03492	0.6
119.33712	0.3
121.02905	0.3
123.04557	0.4
125.02399	0.3
125.06071	0.4
126.01886	0.3
131.03555	0.3
134.03752	0.5
135.08192	0.7
137.02530	0.3
145.03040	0.3
147.03000	0.3
147.04463	0.6
149.04608	0.4
149.12622	0.3
149.57155	0.3
161.04553	0.8
163.11279	2.7
165.12860	1.5
169.12367	0.4
171.10265	1.1
173.04527	0.5
181.12314	0.6
191.10736	1.2
192.49504	0.3
193.05046	0.5
196.49257	0.3
199.04033	0.7
201.11292	0.4
209.11815	100.0
210.12167	7.1
215.03372	0.4
226.02713	0.4
227.03421	0.6
227.12875	13.8
228.13139	0.9
232.98863	0.3
235.08255	1.9
243.02986	0.5
247.13365	0.5
253.09274	5.9
254.04346	0.5
254.09555	0.5
255.02843	0.7
270.01822	0.9
271.02457	1.9
285.04074	0.5
298.01108	0.8
299.02023	3.2
300.02521	0.4
313.03561	1.3
314.04364	3.3
315.04831	0.4
367.08154	0.4
389.46594	0.3
396.08423	7.3
397.08655	0.8
411.10806	16.6
412.11166	2.3
445.20938	1.8
637.32306	0.8
655.33917	0.4
687.32123	0.8
705.33105	3.1
706.34229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52860	1.1
55.01878	1.3
57.03432	2.9
58.00576	1.3
59.01379	41.4
60.75310	1.1
61.98827	13.0
67.01886	1.7
67.71555	1.1
68.99782	2.1
69.03445	3.0
71.01015	2.5
71.01379	28.7
71.54769	2.0
72.99286	5.4
73.02932	4.8
75.00505	1.5
75.00866	12.4
81.03455	1.5
83.01360	3.7
83.04996	4.5
84.02185	1.4
85.02955	23.1
87.00871	13.5
88.98785	2.0
89.02437	15.8
93.03466	2.4
95.01347	3.8
96.95986	3.3
99.00875	8.0
101.02450	11.0
103.00361	1.7
109.06595	1.4
111.00840	1.7
113.02448	20.5
115.00351	2.0
119.03500	5.5
119.04938	1.5
121.02909	1.2
129.01936	1.9
130.99786	3.0
131.03481	1.5
134.03560	1.4
143.03490	1.5
145.02948	2.0
147.04466	3.1
149.06068	2.9
160.01387	1.1
160.74545	1.3
161.04568	2.0
163.11243	2.8
165.12874	2.0
166.39029	1.2
169.12251	1.4
171.10208	2.7
175.02496	1.3
175.03981	1.6
191.01668	1.2
191.05562	1.6
199.13358	1.5
207.10257	1.2
209.11810	80.5
210.12106	6.0
220.06650	1.2
227.12866	12.8
227.58391	1.6
249.06094	6.3
253.09216	3.8
255.02702	1.4
259.15295	1.6
271.02267	1.3
275.20148	5.9
284.03143	3.6
293.21082	2.7
299.01746	1.7
299.05536	1.9
314.04239	3.1
352.09338	2.1
353.09698	2.7
354.10034	2.2
367.11823	2.4
368.12042	3.6
369.12326	5.1
396.08334	3.6
411.10718	7.5
445.21091	1.5
659.99915	1.7
677.04175	1.4
687.32880	3.1
705.33282	100.0
706.33661	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	705.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20283	0.2
56.25958	0.3
57.03443	0.3
59.01381	3.2
61.98824	0.8
65.00309	2.1
67.01897	0.4
68.99819	0.5
71.01382	2.0
72.99317	0.5
73.02947	0.6
75.00871	2.2
77.97855	0.2
82.00610	0.3
83.01384	0.3
85.02953	1.8
87.00883	1.2
87.04511	1.5
89.02463	0.5
93.02973	0.2
93.03468	1.8
95.01392	0.9
96.95983	0.8
96.99376	0.3
99.00882	0.8
101.02436	0.7
110.00098	6.9
111.00935	1.4
111.04484	0.3
113.02425	1.2
119.03466	0.3
119.05019	0.3
123.00887	0.9
124.01651	0.4
124.98820	0.4
125.02466	0.3
125.99585	0.5
129.01950	0.3
134.03719	0.4
136.98796	2.7
137.02435	1.2
137.99606	1.2
139.00369	5.2
140.01166	3.2
141.99110	0.3
145.02950	0.4
145.79688	0.2
146.03697	0.4
147.04489	0.5
149.02449	0.2
149.06104	0.3
151.00365	0.4
152.01089	0.6
153.01894	0.4
155.03496	6.4
155.04758	0.4
159.04472	0.5
160.01614	0.4
161.02501	0.4
163.03961	0.5
164.04868	0.4
164.98262	1.8
165.04036	3.8
165.05429	0.2
165.99072	18.6
166.99858	5.2
168.00648	1.0
170.74400	0.2
172.05249	1.6
173.04573	4.6
173.06059	0.6
174.03186	0.6
174.04877	0.2
175.04019	0.5
177.05510	0.3
178.02710	0.2
178.99860	0.5
181.01418	8.6
182.01837	0.3
183.04367	0.3
185.06090	2.0
186.06673	0.4
187.07649	1.6
191.01926	0.3
191.03674	0.3
191.05634	1.4
193.05054	0.5
195.02979	0.2
195.04688	0.3
198.03169	0.4
199.03908	0.5
199.07651	1.2
200.04781	4.7
200.08360	0.7
201.05537	2.0
201.09152	0.9
203.07100	0.7
205.05040	0.3
209.03006	0.9
211.03900	0.2
211.07631	0.5
212.04744	0.7
213.05569	5.6
214.06013	0.4
215.07114	0.6
217.04958	0.4
227.03534	0.3
227.07130	1.3
228.07881	7.8
229.08679	19.5
230.09000	1.2
232.07460	0.2
239.07054	0.4
253.04973	0.8
253.08630	0.5
254.05917	0.3
255.06631	2.4
256.89130	0.2
267.06964	0.8
268.07401	0.6
269.08109	0.7
279.06619	0.5
281.08185	0.7
282.08774	0.3
284.03381	0.4
293.07977	0.4
294.05328	0.3
294.08627	0.4
295.02451	0.2
295.06015	0.6
295.09555	0.3
297.07712	0.6
298.00827	0.3
299.02094	0.2
299.05646	0.4
307.06390	0.3
309.07718	0.3
310.08615	0.4
314.04382	0.5
323.05524	0.5
323.09265	0.3
324.02698	7.6
325.03250	0.6
333.07690	0.3
335.05740	0.7
339.04984	1.5
339.08658	0.3
349.07074	0.6
350.07977	1.0
351.08633	0.4
352.05991	0.8
353.06622	5.9
353.11060	0.3
354.07056	1.0
366.03830	0.9
367.04529	0.8
378.07532	1.1
379.08087	1.4
381.06128	0.9
393.09641	0.4
396.08432	4.3
397.08856	0.7
411.10822	100.0
412.11142	12.7
453.11960	1.3
475.10883	0.3
497.23892	0.6
515.25037	0.5
531.14886	0.5
611.47461	0.3
687.19354	0.4
705.18842	2.1
706.20490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.6
59.01379	100.0
61.98833	66.0
67.13372	3.2
69.03483	3.2
71.01380	26.6
73.02938	11.9
78.95902	5.1
80.96490	4.1
83.01363	3.8
85.02943	16.8
87.00864	18.4
89.02428	14.3
95.01405	18.5
98.19882	9.1
99.00880	7.0
101.02445	20.0
109.06581	9.8
113.02430	16.9
116.92841	4.2
119.03569	4.5
123.00871	24.1
124.61142	3.6
132.02278	3.9
146.03691	5.9
147.04561	7.2
160.01682	15.2
161.04570	8.7
163.11278	5.7
171.10234	3.6
175.03940	14.8
179.05507	3.6
184.05167	4.3
190.02722	4.4
207.10240	33.3
209.11905	8.1
223.13319	3.3
225.11241	20.7
253.09337	5.8
264.85153	3.4
273.07724	3.9
297.04037	5.5
309.03958	6.3
337.09158	3.7
367.11823	7.7
388.22766	3.2
415.21329	4.0
461.20288	6.4
607.27527	8.7
625.28876	17.5
627.39307	3.1
633.29120	14.1
634.29071	3.4
645.39905	8.6
651.30249	47.2
652.30365	12.7
669.31104	28.1
670.30884	5.3
705.22308	13.0
706.30798	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	705.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
69.75975	1.1
71.01382	0.8
75.00866	0.4
85.02946	0.6
87.00849	0.3
89.02442	0.4
92.07646	0.2
93.03436	1.1
101.02454	0.7
111.04548	0.3
113.18333	0.2
117.03416	0.2
119.05022	97.4
120.05350	3.8
123.04598	0.2
129.01939	0.2
134.03732	2.2
135.04503	0.4
142.80627	0.2
145.02995	0.2
147.04518	0.4
149.06094	0.4
155.03528	0.3
159.04538	0.3
161.04570	0.2
161.06038	0.3
163.04001	100.0
163.31148	0.2
164.04337	5.1
165.04047	0.7
173.04517	1.5
189.01935	0.2
191.05605	2.4
193.05042	1.5
210.66132	0.2
247.11829	0.2
254.09428	0.3
313.10760	0.6
317.45874	0.2
325.09256	18.5
326.09604	1.5
337.14929	0.3
357.09714	2.8
358.10095	0.4
367.10315	0.5
379.16113	1.9
442.41534	0.2
531.15057	0.7
705.20258	1.4
706.20966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01378	4.9
65.00314	1.7
67.01881	0.4
68.99802	0.8
71.01375	2.8
72.99324	0.5
73.02929	0.9
75.00860	0.8
77.88205	0.3
78.76069	0.4
85.02959	5.2
87.00857	2.8
87.04512	0.8
89.02435	1.0
93.03465	4.3
95.01388	1.0
96.96018	0.5
98.19894	1.4
99.00883	1.0
101.02491	0.6
109.02935	0.6
109.99380	0.6
110.00089	7.3
111.00875	1.8
111.04497	0.6
113.02434	2.5
119.05029	0.7
121.02934	0.9
123.00877	1.1
124.01673	0.5
125.02416	0.5
125.99578	0.5
127.00231	0.5
129.01901	0.5
136.98788	2.8
137.02443	1.8
137.99535	0.9
139.00360	5.9
140.01137	3.1
145.02968	1.5
146.03424	0.7
151.00363	1.2
152.01244	0.4
153.01987	0.6
155.03499	6.7
161.02469	0.5
163.03946	0.6
164.98308	2.4
165.04016	1.1
165.99060	18.5
166.99852	5.2
168.00572	1.1
172.05231	1.9
173.04568	1.6
173.06007	0.5
178.99779	0.4
181.01424	9.2
182.01711	0.5
185.06035	2.2
187.07634	1.4
191.01917	1.2
191.05609	9.3
199.03972	0.5
199.07573	1.0
200.04752	5.0
200.08444	1.3
201.05466	2.1
201.09198	1.5
203.07097	0.8
209.02963	2.3
211.07611	0.4
212.04767	0.5
213.05525	5.5
215.07097	0.7
217.04909	0.5
227.07158	1.2
228.05725	0.4
228.07883	8.2
229.08665	18.4
229.85370	0.5
230.08971	1.3
232.07333	0.5
239.07077	0.6
253.04988	0.6
255.06830	2.3
262.73419	0.5
267.02945	0.4
267.07098	3.1
268.07425	1.0
279.06760	0.7
281.08258	0.8
284.03201	0.7
291.07034	0.7
293.07932	0.6
300.54739	0.4
305.08060	0.6
309.07477	0.6
324.02707	6.7
325.03000	0.8
335.05896	1.6
339.05127	1.3
349.07056	0.6
350.07745	0.7
352.05762	0.9
353.06570	4.4
354.07028	0.8
361.07224	0.6
366.03711	1.3
368.08929	0.5
378.07550	0.9
379.08176	1.6
381.06262	1.0
396.08499	4.5
397.08707	0.5
411.10825	100.0
412.11136	12.4
453.12158	1.1
513.19635	0.8
705.27228	3.8
706.26636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
57.03445	0.6
59.01105	0.4
59.01376	4.8
61.08240	0.3
61.98817	0.6
62.95299	0.3
65.00023	0.3
65.00314	2.0
65.53946	0.3
67.01871	0.5
68.99798	0.5
69.03445	0.3
69.27386	0.3
69.72688	0.5
69.73080	0.9
70.90341	0.3
71.01373	2.2
72.99288	0.4
73.02949	0.8
75.00867	4.7
83.01378	0.4
85.02956	2.8
86.17191	0.3
87.00864	1.9
87.04514	1.0
89.02438	1.1
91.00417	0.3
93.03452	2.9
95.01382	0.9
96.96001	0.7
99.00864	0.7
100.59460	0.3
101.02435	1.0
110.00092	7.7
111.00916	1.4
111.04494	0.5
113.02446	1.7
119.04954	0.3
121.02964	0.5
123.00890	1.1
124.01624	0.3
125.02387	0.5
125.99561	0.8
129.01952	0.7
134.03719	0.5
136.98804	3.0
137.02444	2.3
137.99544	1.0
139.00363	5.7
140.01152	3.4
141.01991	0.4
142.58522	0.3
145.02893	0.5
145.77998	0.3
146.03728	0.4
147.04523	0.4
149.04504	0.3
149.06078	0.6
151.00415	0.2
153.01822	0.3
153.92821	0.3
155.03476	6.8
159.04596	0.4
160.01628	0.4
161.02371	0.6
163.03967	0.4
164.98273	2.6
165.04036	7.7
165.05437	0.4
165.99060	21.3
166.99835	5.3
168.00601	1.4
172.04041	0.3
172.05228	1.7
173.04555	6.8
173.06021	0.9
174.03096	0.5
175.03986	0.3
178.02725	0.3
180.00623	0.4
181.01408	7.9
185.06061	2.3
186.06708	0.4
187.03835	0.3
187.07602	1.8
188.08018	0.4
191.01942	0.5
191.05609	2.1
193.05042	0.9
196.05342	0.3
199.04007	0.9
199.07689	1.5
200.04755	5.3
200.08388	1.1
201.05540	1.9
201.09279	1.5
203.07115	1.2
209.03009	0.9
211.07652	0.4
212.04817	0.7
213.05556	6.1
214.06012	0.4
215.07076	0.9
217.05022	0.4
227.07214	1.6
228.07878	7.6
229.08661	19.1
230.08939	1.3
232.07385	0.3
235.19086	0.4
239.07324	0.4
240.04259	0.6
252.08006	0.3
253.04979	0.9
253.08707	0.4
255.02937	0.5
255.06641	3.0
266.05774	0.4
267.07004	0.7
268.07260	0.5
269.08060	0.5
279.06757	0.4
281.08148	0.8
284.03232	0.7
293.08267	0.5
294.08807	0.3
295.02618	0.4
295.06018	0.8
295.09573	0.4
297.07538	0.5
299.02115	0.4
299.05682	0.4
305.08102	0.3
309.07678	0.5
310.08469	0.4
322.08478	0.3
324.02710	7.2
324.06488	0.4
325.03174	0.8
334.08383	0.3
335.05777	0.9
338.04169	0.7
339.05154	1.5
339.08618	0.3
349.06918	0.6
350.07898	1.0
352.05673	0.7
352.09778	0.4
353.06592	5.8
354.07053	1.1
366.03687	0.9
367.04272	0.7
367.08167	0.4
378.07373	0.8
379.08185	1.5
381.06134	0.7
382.06906	0.4
396.08374	4.3
397.08997	0.7
411.10806	100.0
412.11154	12.8
453.11703	0.9
497.24310	0.6
515.24817	0.7
531.14972	0.8
557.25787	0.5
575.27045	0.6
661.38324	0.3
705.19330	2.1
706.19904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.0
58.00581	0.6
59.01376	9.2
60.99298	0.6
61.98816	1.0
65.54553	0.6
67.01882	2.6
69.03448	1.6
71.01376	7.2
71.53960	0.6
71.54333	0.7
72.99289	1.2
73.02926	2.2
75.00857	1.4
78.95867	0.9
79.33675	0.6
80.46157	0.5
81.03442	1.2
83.01382	1.4
83.05026	3.1
85.02943	12.0
87.00861	7.4
89.02448	2.0
93.03448	18.3
94.03802	0.6
95.01382	0.8
96.95984	2.2
97.06602	1.6
99.00848	0.9
101.02435	2.5
108.02217	1.0
109.02960	1.5
111.00883	1.1
111.04517	7.5
113.02415	2.3
117.03439	1.0
119.05019	3.3
121.02932	2.9
123.04494	2.2
125.02448	1.3
127.03996	1.3
129.01924	2.3
130.99837	1.3
132.02167	5.0
133.01427	0.8
133.02974	3.9
134.03729	59.9
135.04317	2.4
137.01451	1.0
137.02440	11.9
139.04010	2.7
143.03513	0.6
145.02922	2.0
147.03003	0.6
147.04472	1.9
148.70424	0.6
149.02367	1.0
149.06070	22.6
150.01854	0.6
150.03171	1.4
150.06425	1.1
155.03516	8.5
159.04507	1.2
160.01636	28.0
161.02438	6.8
163.03993	2.2
164.04713	0.9
165.03987	1.4
165.05496	0.8
167.66531	0.7
173.04536	42.9
173.05931	1.5
174.04892	1.9
175.03983	32.5
176.04413	1.9
177.05453	0.8
178.02692	39.9
179.03227	2.5
179.10742	1.1
189.05595	1.0
190.02559	0.9
191.01979	2.1
191.03760	1.1
191.05597	5.5
192.04189	1.7
193.05032	100.0
194.05331	4.6
200.04718	0.8
207.06624	1.4
207.53075	0.6
209.03023	5.6
229.08789	0.8
239.07166	1.2
243.10240	1.1
245.11511	0.6
255.04980	0.9
263.07056	0.8
265.08676	1.0
267.07217	1.4
271.02454	0.8
281.08905	1.2
284.03418	1.5
299.05487	1.4
323.07675	2.7
333.09891	1.0
337.09235	29.1
338.09671	2.1
351.10895	1.2
352.10822	0.8
367.10300	1.0
411.10876	1.8
469.14856	1.5
513.13702	1.2
531.14935	67.7
532.15259	10.3
557.25421	0.8
705.20782	13.7
706.20166	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	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98827	100.0
71.53466	0.3
78.95889	0.3
83.57948	0.2
86.34821	0.1
153.51216	0.2
209.11818	1.1
215.39845	0.1
277.21735	0.7
310.32529	0.2
483.15448	0.4
484.15594	0.5
489.78384	0.2
494.58624	0.2
529.32220	0.1
542.16998	0.2
557.19324	0.4
558.18994	0.8
575.15155	0.2
644.23004	0.6
704.23047	2.3
705.23450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.4
59.01377	4.8
61.98809	4.0
62.62177	0.9
67.01881	2.0
71.01373	9.0
71.53611	1.2
77.45388	1.0
83.01389	1.1
83.05012	2.0
85.02943	8.7
87.00859	4.4
88.04041	73.1
89.02464	2.0
89.04358	1.0
91.05537	2.2
93.03465	9.0
95.05003	1.5
96.95987	2.4
97.02932	2.7
97.06557	1.5
101.02429	1.2
107.05073	1.1
109.02932	3.4
109.06586	1.3
111.00894	1.0
111.04522	6.3
114.02019	5.1
115.00374	14.7
119.05022	2.2
119.08601	1.7
121.02935	1.2
121.06622	1.6
122.03774	4.6
123.04521	2.0
124.05306	7.2
125.02361	1.3
125.06081	1.6
128.03542	1.9
129.01921	2.0
131.07097	1.0
132.03026	100.0
133.03308	2.2
134.03737	6.4
135.04506	5.4
135.08102	1.0
137.02425	2.4
137.06105	6.1
139.07642	54.8
140.07977	3.0
145.02925	2.2
147.04454	1.6
147.08173	1.5
148.05312	11.4
149.06061	3.6
151.03969	2.0
155.03479	4.1
159.04485	2.5
161.02257	1.1
163.03983	2.5
163.07605	2.2
163.11230	0.9
168.07921	10.9
169.08592	3.0
171.08084	1.0
173.04561	22.1
173.06003	2.5
174.06912	1.0
177.12825	1.3
178.02722	1.3
187.11311	7.6
188.04778	4.1
189.05482	2.2
190.10011	1.9
191.05600	49.7
193.05069	11.5
205.12337	16.6
205.14120	1.9
206.08165	2.0
206.12514	1.2
207.06674	7.8
217.08684	10.9
218.09087	1.2
235.13396	2.2
243.10265	1.7
249.11218	2.2
250.07188	78.1
251.05353	9.8
251.07579	4.3
253.31099	1.0
261.11298	5.2
279.12381	51.3
280.12656	4.4
295.09717	1.1
324.85989	1.0
337.09290	1.4
355.10233	2.6
357.09689	11.4
367.10086	2.1
453.17645	79.1
454.18027	11.0
531.15167	2.7
705.20959	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	703.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20330	0.7
59.01371	4.2
61.98846	1.9
69.77454	0.7
71.01379	2.5
71.53867	0.9
71.71878	0.8
73.02944	1.3
75.00872	1.0
85.02950	2.1
87.00872	100.0
88.01218	1.8
89.02439	1.2
93.03477	2.0
95.01395	1.1
96.96017	2.3
101.02433	1.4
106.95578	0.7
113.02454	1.3
119.05025	1.5
121.02949	2.7
122.03740	3.5
130.99855	85.7
132.00139	1.1
133.02928	1.0
135.03047	0.8
135.04503	1.7
137.02440	1.8
145.02904	1.0
147.04503	3.3
148.05351	1.0
149.06041	1.2
163.04013	1.0
164.04741	0.9
165.05533	0.8
173.04535	3.7
173.05991	1.7
175.00366	1.1
177.29543	0.7
190.02699	2.2
191.03532	0.8
191.05583	1.9
199.07674	1.4
201.05603	11.9
201.09193	0.9
202.06006	1.2
205.05106	1.0
207.04893	0.9
227.07111	2.6
240.04242	2.7
245.08153	4.0
254.04295	92.5
255.04691	6.2
284.03223	20.9
285.03555	1.8
299.05576	30.0
300.05850	4.2
333.09662	0.9
335.02570	0.8
351.10782	63.5
352.11200	5.7
352.14948	0.8
352.16931	0.8
367.10248	2.7
470.52264	0.8
580.22180	0.9
667.16772	1.3
703.33295	1.2
725.40015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29620	0.6
57.03448	1.1
59.01377	18.2
61.98826	5.2
66.08253	0.6
69.95555	2.1
71.01384	9.8
72.71354	0.6
72.99294	0.9
73.02948	2.3
75.00880	1.0
80.02679	2.1
81.03453	2.9
82.44128	0.7
83.01389	2.2
83.05024	7.1
84.02162	2.1
85.02954	6.6
87.00875	10.9
89.02446	5.8
93.03449	1.4
95.01403	1.3
95.04989	1.5
96.95983	1.2
97.02945	4.7
97.06548	1.2
99.00872	2.6
101.02435	6.5
104.03799	0.6
107.05013	1.2
109.06593	22.1
110.03669	1.1
110.06921	1.3
111.00903	1.1
113.02430	5.2
119.03496	1.6
119.05040	0.8
121.02995	1.2
121.06571	2.0
122.03777	1.1
123.04512	1.1
123.08126	0.9
125.06110	0.9
125.09718	1.6
127.99977	0.6
129.01907	0.8
130.99866	3.8
135.08200	3.2
136.05270	1.3
137.02412	1.5
142.02722	2.6
143.03537	1.4
145.02922	0.7
145.05063	0.7
146.03697	0.7
147.04535	2.2
148.05327	1.1
149.06039	1.2
161.04543	2.9
161.09737	1.5
163.11270	15.2
165.12842	2.3
171.10301	1.0
172.05240	0.8
173.04555	1.0
179.05579	1.3
181.12340	4.6
181.13698	0.8
185.11792	1.8
189.09232	2.4
190.09641	0.6
191.05626	1.2
191.10718	1.0
192.04274	0.8
197.11859	1.1
207.10248	59.8
208.10565	2.4
209.03006	4.3
209.11816	100.0
210.12106	4.5
211.13489	0.9
215.07068	0.8
221.11874	1.1
225.11307	28.4
226.11610	1.7
227.12866	16.7
235.08116	3.8
247.13423	1.3
249.11397	1.3
253.09302	10.0
254.04160	1.0
299.05682	0.9
323.31110	0.6
358.06732	0.7
362.90118	0.6
373.19757	0.9
373.24066	1.2
399.21759	4.9
417.22760	3.6
435.23941	0.7
443.19128	3.4
445.21014	1.2
461.20251	8.2
462.20734	1.1
485.20450	0.8
569.29169	0.8
593.79980	1.0
627.30011	0.7
632.84039	0.8
635.30743	16.7
636.31024	2.7
643.31494	1.6
648.74506	0.7
653.31799	15.7
654.32373	2.0
671.32788	25.7
672.33502	4.4
703.26843	1.3
703.78345	1.0
704.26123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.3
61.98826	21.7
63.11196	6.1
63.62966	6.1
71.01410	6.5
71.45173	8.1
78.57096	4.9
78.95892	11.5
89.07119	6.0
109.06590	20.7
128.64307	6.3
144.79703	6.3
152.99620	7.4
163.11288	10.9
207.10268	39.4
235.08186	7.9
246.69597	6.6
253.09225	13.0
255.23233	9.7
277.21716	100.0
278.22220	7.7
324.49823	6.3
703.40088	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23158	17.9
59.01373	22.4
59.28276	16.6
59.74638	16.8
61.98835	100.0
71.07848	50.3
71.48843	20.0
78.95899	29.8
86.05909	22.3
112.36342	21.9
145.91371	22.9
152.99588	25.7
171.10214	24.1
207.10294	21.1
255.23204	35.6
269.31351	22.7
277.21512	48.7
357.65570	24.0
420.77625	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	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
60.01707	0.1
61.01827	0.1
61.98827	100.0
62.98534	0.1
98.19892	0.2
117.00488	0.1
123.50188	0.1
123.51071	0.1
128.96925	0.1
219.78229	0.1
286.85904	0.1
482.15216	0.1
483.15396	0.2
484.15256	0.4
498.17255	0.2
542.16016	0.1
543.16504	0.1
555.18927	0.1
556.18976	0.2
557.18958	0.4
558.18994	0.7
575.15942	0.2
644.22839	0.7
704.23669	2.7
705.22455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01378	10.2
61.98827	6.7
62.72322	0.9
63.61815	0.9
69.03463	0.9
69.17455	0.8
69.17757	8.5
71.01378	7.5
72.99275	0.7
73.02930	1.8
75.00866	2.7
83.01379	1.4
84.41065	0.8
85.02942	6.0
87.00871	54.8
88.01231	2.2
89.02460	3.8
93.03439	5.1
95.01396	1.4
96.95999	3.6
97.06589	2.2
99.00879	2.1
101.02411	2.7
105.03394	1.1
107.05032	7.4
109.02959	0.9
111.04519	2.2
111.54604	0.8
112.05300	4.3
113.02426	2.1
115.03888	0.9
117.03465	0.9
119.03467	1.3
119.05025	4.7
121.02955	20.0
122.03786	5.7
123.04540	4.2
124.01618	1.3
125.02405	1.9
129.03310	0.7
130.98856	1.7
130.99852	30.7
133.00259	1.1
134.03706	4.5
135.04504	3.6
137.02446	6.7
139.04013	2.8
143.03497	1.1
145.02864	1.5
146.03717	1.0
147.04506	19.0
148.05341	4.6
149.02490	1.7
149.06017	3.1
150.03125	1.0
154.02727	2.5
161.02419	1.2
161.04552	1.1
163.03984	6.0
164.04739	4.0
165.04039	2.4
165.05521	2.4
166.02699	1.4
169.04958	0.8
173.04526	6.4
173.06024	1.8
175.03903	1.4
185.06078	0.9
191.01953	1.3
191.03473	6.2
191.05583	3.7
191.10779	6.5
192.04303	4.1
193.04991	2.3
194.02142	2.7
199.07645	0.9
201.05559	6.0
201.09166	1.6
211.13390	1.0
219.00711	0.9
219.10184	2.8
227.07121	1.5
227.12994	1.2
245.08116	1.8
246.09088	0.9
254.04306	20.1
255.04909	6.5
284.03247	5.8
285.03922	1.3
291.08676	4.5
299.05545	6.0
303.08707	0.9
317.75241	0.9
351.10809	100.0
352.11172	9.7
369.11954	1.1
437.22229	0.9
474.58621	0.8
513.00714	1.0
607.29272	8.7
607.79962	3.8
616.80133	2.0
685.19958	0.9
703.26929	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58317	0.6
57.03447	0.7
59.01377	10.8
61.98820	3.9
68.99791	0.8
69.03429	0.8
71.01374	5.7
71.54418	1.0
72.99325	1.2
73.02938	1.0
75.00864	2.5
83.01367	1.4
83.04997	0.9
85.02938	6.0
87.00870	52.2
88.01206	2.6
88.98785	0.9
89.01318	0.9
89.02431	2.4
91.05546	1.3
93.03445	5.3
93.30417	0.8
95.01418	0.7
95.05040	1.0
95.37375	0.7
96.95984	3.2
97.06585	2.4
99.00867	1.3
101.02426	3.0
105.03459	1.5
107.05025	5.8
108.05348	0.8
109.02949	1.3
111.04514	2.2
112.05317	4.1
113.02449	4.1
117.48515	0.7
119.03499	0.8
119.05032	4.0
121.02954	20.5
122.03757	7.3
123.04549	4.1
124.01644	1.6
125.02459	1.7
129.01962	1.0
130.99852	30.8
134.03703	2.9
135.04471	3.6
136.01656	1.2
137.02448	6.0
139.03989	2.4
143.03508	1.1
145.02916	0.9
147.02821	0.8
147.04503	19.6
148.05321	4.1
149.02420	2.6
149.06055	3.9
150.03300	0.9
154.02669	1.9
161.02469	1.8
163.04037	6.7
164.04781	2.6
165.04022	2.5
165.05554	2.6
166.02669	0.8
173.04532	6.1
173.05888	1.2
175.07635	1.3
191.03452	5.6
191.05577	3.8
191.10771	7.8
192.04285	4.0
192.05803	0.8
193.04996	2.2
194.02199	2.9
201.05554	4.6
201.09233	1.6
205.03470	0.8
209.02959	0.8
211.13416	1.2
219.10201	2.8
227.07143	1.6
227.12852	0.9
245.08101	0.8
254.04321	20.9
255.04979	5.7
256.05005	1.1
284.03329	3.5
285.03839	2.0
289.10831	0.8
291.08688	3.0
299.05588	4.2
333.09720	0.8
349.09622	0.8
351.10797	100.0
352.11118	9.6
352.15140	1.2
369.11871	1.1
417.15387	1.0
599.30762	0.9
607.29608	5.3
607.79498	2.0
616.30151	0.9
616.79980	1.7
617.30951	1.1
646.56622	0.7
703.26660	5.7
703.82678	1.6
704.26721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01379	7.6
69.03450	1.3
70.49248	3.0
71.01389	4.6
73.02945	0.9
85.02958	2.5
87.00870	79.9
88.01260	1.2
89.02436	4.0
91.05531	2.6
93.03453	3.1
95.05054	1.6
101.02457	3.1
105.03468	3.0
108.02180	1.7
113.02406	1.6
113.07635	0.9
119.05014	3.6
121.02952	16.7
122.03741	12.8
123.04557	4.1
124.04957	0.9
129.03398	1.1
130.99852	45.1
135.04524	2.8
137.02469	4.0
137.06067	1.3
145.02896	1.8
146.03665	1.5
147.04510	23.2
148.05330	4.5
149.02429	6.0
149.06049	2.0
150.03201	1.8
154.02771	0.9
159.04469	1.0
161.04584	1.1
162.03226	1.1
163.03989	6.4
163.07574	1.3
164.04796	3.5
165.05540	2.5
172.05238	1.0
173.04532	1.2
173.06053	1.8
174.03223	0.9
175.04004	2.6
183.13896	3.8
188.04857	1.0
189.05620	1.2
191.03487	5.0
191.05392	1.6
192.04260	2.5
193.05064	1.3
193.12398	1.3
201.05574	1.5
211.13368	45.3
212.13741	2.8
217.01462	2.5
218.02193	5.3
219.02936	1.4
244.50548	1.2
253.03468	1.2
253.09367	4.4
254.04276	27.2
254.06815	1.7
255.04877	2.8
287.16522	1.5
288.44672	0.9
297.06201	1.0
315.04956	1.2
315.16061	2.5
349.09610	1.5
351.10904	3.6
429.40979	0.8
471.13272	1.4
472.13760	2.0
641.24738	3.1
665.18036	1.0
683.27014	5.2
692.89288	1.1
701.26825	100.0
702.27039	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	701.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.98828	100.0
62.98539	1.5
63.99252	0.8
68.66096	0.6
69.38093	3.9
69.76952	0.5
71.01369	1.3
85.02953	1.1
85.11991	0.6
87.00874	82.2
88.01223	1.4
93.03458	0.9
98.20748	0.6
101.02399	0.9
108.02177	0.5
121.02966	1.6
122.03732	1.3
123.04522	1.4
130.99861	56.1
132.00209	1.2
137.02423	1.6
146.03699	1.1
147.04547	2.4
148.05351	0.7
149.02527	0.7
149.06110	1.0
152.01144	1.0
161.06114	0.6
162.06947	0.6
163.04152	0.6
165.05597	0.8
172.05266	0.6
173.06097	0.8
175.03928	1.0
175.07587	0.8
177.01765	0.6
188.04935	0.7
191.05679	0.6
192.04343	0.7
211.13423	1.7
217.08733	0.6
232.01056	0.5
253.03477	0.8
254.04295	39.2
255.04814	4.1
285.80908	0.6
287.16559	2.0
297.15009	2.7
306.22360	0.6
315.15875	3.6
333.17148	1.1
341.17654	1.0
348.57813	0.8
351.10907	0.6
446.16284	0.7
472.13632	0.7
553.34155	0.6
617.06030	0.7
620.91333	0.6
621.25177	0.6
641.25677	0.6
683.22260	0.6
684.18982	0.8
701.26807	50.1
702.27380	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	701.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01543	0.6
59.01366	2.6
60.94888	0.6
61.98817	1.7
69.37125	4.3
71.01371	1.3
85.02955	1.6
87.00874	100.0
88.01182	1.9
89.02442	0.8
93.03435	1.1
96.95977	0.7
98.71454	0.5
101.02430	1.4
105.03426	0.7
107.91388	0.6
113.02410	1.1
119.05009	1.2
121.02950	3.0
122.03729	2.2
123.04494	1.6
130.99861	69.8
132.00232	0.8
135.04532	1.3
137.02451	1.1
139.40572	0.5
146.03741	1.6
147.04529	5.2
148.05278	1.3
149.02377	1.0
149.06075	1.6
150.03233	1.0
161.06102	0.7
162.03252	1.4
163.03996	1.3
164.04784	1.3
165.05576	1.5
172.05232	1.5
173.06047	0.9
174.03249	0.7
175.03929	1.1
177.01947	0.7
179.07144	0.9
188.04832	1.4
189.05510	0.8
191.03497	0.8
193.05052	0.9
211.13431	4.9
217.08899	1.1
218.02068	0.8
219.02901	1.0
253.09236	0.8
254.04314	46.3
255.04716	4.5
269.04489	0.6
271.13431	0.7
284.03305	1.0
287.16458	2.9
297.14893	1.8
315.15955	3.8
318.57700	0.6
331.13824	0.7
333.17178	1.5
349.09064	0.8
351.10880	0.9
479.26767	0.8
515.70587	0.6
611.27765	1.0
618.86261	0.7
641.24493	1.3
683.20441	2.0
701.26886	57.2
702.27148	13.1
702.38531	0.9
731.22687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
90.15848	0.4
149.03162	0.3
201.26511	0.4
229.01065	0.4
234.55334	0.4
437.12720	0.5
438.13385	2.6
439.13712	0.6
451.14124	0.9
452.14856	1.5
455.09866	0.6
466.12750	0.5
467.13190	0.6
469.11334	0.4
480.14639	1.1
481.15170	32.0
482.15527	8.0
484.12833	0.5
495.16772	11.1
496.17371	3.6
497.18298	5.5
498.18384	1.5
509.18655	0.5
511.15216	0.5
514.14850	1.7
515.14728	0.6
523.15997	0.9
525.14343	1.3
539.15607	2.4
540.16351	7.9
541.16730	1.8
551.20453	0.5
553.17450	0.5
554.17896	2.7
555.18823	51.2
556.19092	14.3
567.18671	1.1
572.15485	16.0
573.15845	4.4
577.16644	0.5
586.16882	6.3
587.17261	1.6
599.21790	0.6
609.20038	1.7
610.20093	0.6
627.21136	1.2
641.22534	28.5
642.22748	8.0
701.24640	75.0
702.24854	24.3
726.11853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98822	3.2
69.41230	1.0
71.53418	1.7
71.53830	0.9
78.95894	2.4
95.17170	1.0
112.45399	1.0
139.98528	1.1
165.32153	1.1
220.09465	1.0
224.03278	1.0
255.23230	1.5
309.97299	1.2
330.43649	1.2
438.13214	3.6
439.14117	1.3
452.14725	1.7
455.09827	1.6
469.11694	1.4
480.14044	1.3
481.15115	47.0
482.15585	10.7
495.16797	13.9
496.16940	3.7
497.18619	4.6
498.18344	1.3
514.14789	1.5
539.15894	1.5
540.16510	12.4
541.16583	2.4
554.17719	1.7
555.18799	74.4
556.19049	16.8
567.18823	3.5
569.20459	1.9
572.15411	20.3
573.15765	5.7
586.17517	5.2
587.17444	1.6
600.19238	1.9
627.20557	1.5
641.22528	35.7
642.22888	9.6
658.19238	2.3
701.24615	79.9
702.24780	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	700.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54656	0.1
59.01386	0.2
61.98829	100.0
62.98545	0.1
69.74659	0.1
71.01398	0.1
71.22968	0.1
85.02962	0.1
85.45947	0.1
87.00879	1.1
90.79266	0.1
130.99858	0.3
132.02109	0.1
134.03795	0.2
149.06085	0.1
160.01680	0.2
161.84976	0.1
164.86377	0.1
165.05525	0.1
175.03998	0.4
188.77376	0.1
193.05051	0.1
201.05453	0.1
240.04251	0.1
245.11800	0.1
246.89647	0.1
269.34171	0.1
284.03265	1.3
285.03851	0.1
299.05609	1.9
300.06146	0.1
337.09494	0.3
416.47830	0.1
451.89948	0.1
471.12122	0.1
513.06055	0.1
637.15839	0.2
682.18890	0.1
683.20245	0.1
699.40045	0.2
700.39508	0.1
701.21368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98827	100.0
62.98521	0.1
71.01404	0.1
87.00878	2.3
89.02460	0.2
95.60033	0.1
97.12878	0.1
98.20763	0.2
109.91603	0.1
113.02477	0.2
122.03737	0.1
123.04494	0.1
125.02477	0.1
130.99852	1.3
137.02417	0.1
145.02991	0.1
147.04532	0.2
149.06123	0.1
149.58478	0.1
160.01654	0.1
173.04613	0.1
211.13409	0.1
218.09464	0.1
229.60187	0.1
254.04282	0.7
293.08765	0.1
295.09299	0.1
351.10928	0.2
664.18066	0.1
700.18542	0.1
701.26959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25768	0.3
55.01868	1.0
57.03442	2.2
59.01380	13.8
61.98832	2.1
67.01899	0.5
68.99798	1.0
69.03442	1.0
69.99580	0.4
71.01378	16.5
72.99310	4.6
73.02953	3.0
75.00874	12.0
80.05804	0.5
83.01380	1.4
85.02950	16.6
87.00875	9.8
89.02444	3.3
93.03429	0.7
95.01388	3.1
97.06586	0.6
98.19865	1.0
99.00880	6.7
99.08199	0.4
101.02428	3.3
103.00350	1.2
107.04939	0.4
109.02971	0.4
111.00881	1.4
112.01659	0.4
113.02442	14.3
114.02733	0.7
115.00352	1.1
117.01928	1.6
119.03471	0.6
119.05002	1.0
121.02943	1.1
123.04533	0.5
125.02422	0.6
129.01877	0.8
130.99902	0.7
137.02440	0.6
140.69272	0.4
142.62437	0.4
147.04494	1.2
149.06041	0.8
157.01401	0.7
159.04478	0.6
161.02354	0.9
162.03171	0.5
163.03979	1.1
164.04671	0.6
173.04573	0.6
173.06085	0.4
175.02451	1.4
175.03891	0.6
191.01915	0.5
191.03571	0.7
191.05592	1.1
191.91887	0.4
193.05112	0.7
203.38319	0.4
217.08647	0.7
224.82668	0.4
243.02953	0.5
249.06122	5.7
255.02925	1.1
267.07242	0.9
268.08005	0.5
269.21149	1.3
271.02417	2.9
272.02786	0.6
284.03360	0.9
285.20551	0.5
287.22250	13.8
288.22546	1.7
300.02704	4.4
339.08704	0.5
351.10867	2.9
352.11142	0.5
407.25452	0.5
431.21304	0.5
431.26532	4.5
449.27533	21.1
450.27963	3.0
552.16052	0.5
558.90631	0.5
602.11719	0.5
681.18256	1.1
681.33630	0.8
682.17761	0.7
699.15094	2.9
699.34393	100.0
700.34735	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	699.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26434	0.7
54.53261	0.9
55.01886	1.1
57.03431	2.4
58.00575	0.9
59.01377	15.3
67.01883	2.1
68.99815	3.3
69.03429	1.7
69.78645	4.4
70.12353	0.8
71.01380	19.1
72.99299	6.8
73.02931	2.4
75.00871	17.4
81.03453	1.1
83.01372	2.3
85.02949	18.2
87.00875	8.3
89.02440	5.2
91.69019	0.8
93.03440	2.9
95.01408	5.1
97.02928	0.9
99.00877	12.5
103.00365	2.0
109.02913	1.3
111.00906	1.8
111.04512	1.2
112.01636	0.8
113.02451	16.9
115.00369	2.1
117.01921	2.5
121.02926	4.3
129.01869	2.2
134.03667	1.4
135.04448	1.2
137.02444	8.2
138.03203	1.7
145.02942	2.0
147.04506	3.6
147.31628	0.7
149.01268	1.5
149.02431	21.2
149.06084	2.2
150.03229	4.3
151.03989	1.5
152.01125	2.3
157.01376	1.9
161.02422	3.2
161.04573	0.9
162.03160	1.6
163.03973	6.2
164.04785	17.8
165.01918	47.9
165.05502	3.1
166.02597	4.4
169.08392	0.9
170.31204	0.8
173.04501	2.0
175.00352	2.5
175.02408	3.5
176.01054	1.7
177.05475	0.9
178.06276	1.5
179.02049	1.1
179.03493	10.2
179.07108	3.1
180.04272	26.9
181.05048	8.1
190.02718	5.2
191.03494	3.3
191.05544	1.0
192.04239	0.9
193.01369	4.2
193.04988	1.0
194.05779	2.8
195.02873	0.9
195.06606	26.9
196.06882	1.5
205.05045	6.7
207.02898	0.8
207.06659	1.1
208.03746	7.6
209.04506	2.3
209.08188	5.4
210.05345	5.5
211.06068	7.6
217.08708	1.0
219.10315	0.9
223.06107	19.4
224.06537	1.4
225.07613	7.7
231.05008	2.8
237.03979	2.0
243.10252	1.3
249.06122	29.0
250.06470	1.9
267.07285	5.2
282.07474	1.7
283.08261	1.3
297.09723	3.0
299.01889	2.7
311.07397	0.9
349.09180	3.0
351.10727	2.3
411.12814	2.7
429.13852	0.9
455.11670	2.9
457.08984	0.9
469.13574	1.4
471.11276	2.6
472.12140	11.3
473.12915	12.3
474.13229	1.3
487.14365	2.3
527.13757	1.0
681.19751	3.5
699.21332	100.0
700.21680	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	697.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18349	0.5
56.67430	0.5
57.03440	0.5
59.01386	3.8
61.98811	1.1
71.01375	5.6
73.02935	2.3
75.00849	0.6
83.01375	1.0
85.02950	4.2
87.00874	10.5
89.02418	1.1
89.36920	0.5
93.03454	1.3
95.01376	1.0
96.35375	0.6
99.00879	0.6
101.02450	3.6
107.05030	0.5
109.02981	0.5
113.02394	2.4
115.00411	0.9
121.02930	2.5
123.00853	1.7
123.04524	0.8
131.04979	0.5
133.01407	0.7
133.02957	0.6
134.03844	0.7
135.04530	1.0
137.02415	1.8
138.03197	1.7
139.04016	1.0
145.02940	1.3
146.03703	0.9
147.04486	2.5
149.02397	0.7
149.06078	0.8
153.05547	1.3
159.04526	10.4
160.05215	1.7
161.02460	4.5
161.04675	0.9
161.06055	4.1
162.03203	0.8
163.03947	2.2
164.04776	0.9
165.01891	0.6
166.02686	0.5
173.02412	2.8
173.04553	1.3
173.06046	4.4
174.03189	1.0
175.03973	2.7
187.03944	1.1
189.01915	1.1
190.02632	0.9
193.05026	1.1
199.04008	1.4
203.03477	1.4
204.04329	0.8
205.05043	1.2
207.03008	1.9
209.06148	0.6
213.05489	1.5
223.06218	0.8
225.05562	5.8
227.03415	0.7
237.09714	0.6
239.03470	0.9
239.07275	0.7
240.04233	0.5
241.05083	3.5
242.05641	0.9
243.06613	0.7
249.05432	0.9
249.07796	0.7
251.03473	2.4
251.07054	2.1
252.04178	0.7
253.05055	8.1
254.05757	1.0
255.02917	1.0
256.03577	0.8
267.06583	1.5
268.03827	0.9
268.07361	2.4
269.04544	17.7
269.07602	1.2
270.05362	5.7
271.06116	8.4
272.06613	1.1
277.05023	4.2
278.05542	0.6
279.02994	3.3
279.06351	1.3
280.03671	1.5
280.07465	0.8
281.04504	6.4
282.05121	1.7
283.06110	1.2
284.03967	0.8
284.06900	10.2
285.07498	4.2
286.08423	7.6
287.09152	1.1
293.04736	0.8
294.05444	1.3
295.06104	3.4
296.03168	2.5
296.06729	2.5
297.03970	10.8
297.07620	2.9
298.04523	1.6
298.08218	0.9
299.05960	1.1
299.09213	10.9
300.09756	1.2
301.10764	7.5
305.04477	2.0
306.05045	1.0
307.02637	0.7
310.08447	0.9
311.05484	3.0
311.08823	1.2
312.06317	8.2
312.09988	2.9
313.06943	2.1
322.04736	3.5
322.08145	0.8
323.05557	5.0
325.07071	4.7
325.10822	1.5
326.07861	6.0
327.08795	22.6
327.12366	4.5
328.09207	3.1
329.10199	1.0
337.07172	4.3
338.07928	6.2
339.05060	1.3
340.05685	1.4
343.12012	1.1
351.08707	0.8
353.10309	7.6
354.07233	1.3
355.08105	4.6
356.08664	1.1
369.09778	5.4
371.11276	4.0
387.10660	1.2
397.09238	5.6
399.07117	1.3
415.10361	0.9
441.08212	2.3
443.15836	0.6
459.09268	3.5
460.09470	0.8
523.18225	0.8
565.19220	5.6
593.18695	1.7
607.20026	1.6
619.16443	2.0
635.19806	2.2
637.17700	4.8
661.17603	1.3
697.19739	100.0
698.20099	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	697.1764
Annotation	CHEBI:75353
Peak:m/z	Relative Intensity
59.01374	1.7
60.99302	6.5
61.98822	1.3
62.75741	0.2
65.00312	0.4
65.99306	0.3
70.86989	0.3
71.01383	0.9
75.00871	0.4
84.83521	0.3
85.02943	0.9
87.00876	1.8
88.98801	40.3
89.99100	0.5
91.85690	0.3
93.03442	0.7
98.20671	0.6
101.02431	0.5
102.54181	0.3
107.01401	0.3
109.02953	0.6
113.02464	0.5
117.03423	0.3
119.01402	0.6
121.02917	0.6
123.04546	0.4
134.03709	0.3
137.02380	0.4
141.79132	0.3
145.02966	0.5
147.00873	0.8
147.04463	0.5
149.02451	1.5
149.06117	0.4
151.03935	0.3
160.98781	0.3
161.02431	0.4
161.99576	1.1
163.03915	0.7
164.04729	1.6
167.03490	0.7
171.04501	1.0
174.03217	0.3
175.00365	3.6
175.04036	0.5
183.04527	0.6
187.03973	0.9
189.01933	0.5
190.02710	6.1
191.03120	0.4
193.04990	0.7
199.03943	2.5
205.05035	5.7
206.05496	0.4
208.03874	0.3
211.03979	0.4
215.03464	1.2
221.08150	0.5
223.06107	0.8
227.03494	3.2
243.02980	4.1
253.01506	0.6
255.02980	6.0
256.03378	0.6
258.05301	0.7
270.05215	0.7
271.02469	9.3
272.02820	0.7
273.07617	0.8
282.01666	0.4
283.02399	0.6
284.03207	2.0
285.03815	0.5
296.03134	0.3
298.01282	0.5
299.01947	12.8
299.05573	2.4
300.02295	1.2
313.03409	1.4
314.04294	60.2
315.04639	5.6
325.09183	0.5
329.06631	100.0
330.06982	8.9
367.10345	7.2
367.14636	0.2
381.11914	0.6
514.80872	0.4
523.33307	0.4
526.36499	0.4
614.74286	0.3
697.17621	2.3
697.28308	0.6
698.18262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
59.01371	4.0
61.98829	1.9
66.48856	0.7
66.70959	0.8
69.51358	2.9
69.51766	2.6
71.01378	3.4
73.02943	1.7
85.02949	2.8
87.00883	9.6
89.02477	0.8
93.03443	2.1
98.20625	1.9
99.00842	1.0
101.02443	2.8
109.02973	1.2
113.02428	1.5
115.00356	1.2
119.01624	0.8
121.02953	1.4
123.00900	1.6
125.02410	1.0
130.99843	1.2
137.02402	2.2
138.03218	1.2
147.04483	3.7
159.04520	10.1
160.05190	2.7
161.02426	4.3
161.06047	3.9
162.03223	2.0
163.04013	1.7
164.04846	1.1
173.02379	2.1
173.04596	2.0
173.06044	4.8
174.03215	1.1
175.03891	1.5
187.03979	1.3
189.02022	1.0
195.06699	1.3
203.03442	1.5
207.03094	1.3
213.05392	1.9
217.08563	1.0
223.06035	1.7
225.05588	6.6
241.04993	4.8
242.05412	1.2
251.03453	2.1
251.07109	2.2
253.05084	5.3
254.05710	1.4
255.32867	0.9
267.06714	1.5
268.07425	1.8
269.04559	19.3
269.07620	1.6
270.05130	4.3
271.06110	9.0
272.06534	1.4
277.05075	3.9
279.03009	3.0
279.06302	1.7
281.04553	5.9
282.05057	1.1
284.06912	8.6
285.07666	2.9
286.08490	8.2
293.04541	1.0
294.05191	1.7
295.06015	2.7
296.03287	2.3
296.06558	1.4
297.03955	10.5
297.07578	2.8
298.04468	1.9
298.08414	1.1
299.09198	13.0
301.10782	5.3
305.04538	2.2
310.08429	1.2
311.05573	3.6
312.06314	9.1
312.09946	1.9
313.06952	1.7
322.04730	2.9
323.05545	4.6
325.03571	1.5
325.07153	5.2
325.10562	1.3
326.07993	4.6
327.08661	22.2
327.12335	5.9
328.09174	4.3
329.10315	1.5
337.07147	4.7
338.07803	4.1
339.04941	1.5
340.05624	1.3
341.09622	1.0
343.11890	1.0
353.10388	7.9
354.07031	1.0
354.11066	1.2
355.08151	3.5
369.09769	4.1
371.11136	4.1
397.09235	4.8
399.07315	1.4
441.08218	1.5
459.09152	3.7
522.62872	0.9
523.17993	1.9
565.19403	5.8
566.19250	1.0
593.18604	2.5
607.20563	1.2
635.19092	1.7
637.17450	5.0
661.17767	1.8
679.18286	1.0
697.19781	100.0
698.20148	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	697.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
60.99305	17.1
61.98825	4.8
71.01377	1.9
71.54408	0.5
75.00876	1.0
78.95927	0.5
79.14601	0.5
83.05005	0.5
85.02943	1.7
86.20354	0.5
87.00890	4.7
88.98804	100.0
89.02434	1.5
89.99134	0.7
93.03470	1.3
99.00877	0.5
101.02431	1.2
109.02950	0.9
111.00903	0.6
113.02433	0.7
119.05014	1.0
121.02877	0.4
123.04515	0.9
130.99887	0.8
134.03693	1.1
135.03035	0.6
135.97437	0.5
137.02443	1.5
145.02983	1.6
147.04550	1.0
149.02449	1.7
149.04480	0.9
149.06111	1.2
155.03452	0.7
159.04544	0.6
160.01624	2.2
161.02353	0.9
163.04008	1.2
164.04781	0.7
165.04012	1.0
167.03484	1.7
171.04504	0.6
173.04572	1.0
175.00345	1.8
175.03978	1.6
187.04012	1.2
190.02673	3.6
191.03435	0.7
191.05530	0.9
192.04008	0.5
193.05038	1.7
199.03984	1.0
201.05627	0.6
202.65930	0.6
205.05037	3.9
211.04118	0.7
215.03523	0.7
223.06226	0.5
227.03520	2.1
233.04613	0.6
243.02930	2.3
255.02998	4.3
271.02487	4.6
273.07742	2.4
283.02661	0.6
284.03125	4.1
284.99969	0.5
285.03632	0.9
299.01968	7.0
299.05630	6.3
300.02563	1.0
300.06018	1.3
313.03589	0.6
314.04315	31.3
315.04706	2.7
325.09216	1.0
329.06635	56.1
330.06998	5.9
367.10449	4.1
410.21512	0.5
697.17114	0.9
697.38605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40308	0.8
55.01875	2.3
57.03443	12.5
59.01374	7.5
61.98816	4.6
67.01896	1.1
71.01387	6.4
71.53258	0.8
71.53622	0.8
72.99306	1.9
75.00861	3.6
78.70916	0.7
81.03416	0.8
83.01405	1.9
84.02177	2.4
85.02947	92.0
85.48694	0.8
86.03294	2.1
87.00865	6.1
88.71279	0.8
89.02440	1.6
93.03457	18.5
94.03780	0.8
96.96015	2.4
99.00894	1.1
101.02454	0.9
103.00357	2.0
109.02925	1.1
111.00883	1.2
111.04519	3.1
115.00397	1.8
119.05022	88.8
120.05384	2.2
121.02927	0.9
123.04483	0.9
125.02436	3.0
127.04006	1.8
129.01932	13.8
131.04999	1.2
133.02979	0.9
134.03677	0.9
137.02417	1.8
143.04990	2.4
145.02948	2.2
147.03006	7.6
147.04063	1.2
155.03442	2.2
163.04001	95.5
164.04356	3.7
173.04536	23.8
174.04828	0.8
179.03464	1.4
191.01974	81.3
191.05595	100.0
192.02312	2.0
192.05992	4.4
209.02983	6.1
211.07605	2.5
235.07562	1.1
237.09311	4.6
237.11331	0.9
239.05637	2.5
239.10635	2.1
264.29205	0.8
265.08679	5.7
283.09714	4.6
309.07443	2.6
309.10858	0.8
325.09259	14.2
326.09390	1.6
327.08707	38.0
328.09048	3.5
337.08051	1.3
357.53961	0.8
367.15952	1.4
489.65237	0.9
501.14072	17.6
502.14297	3.0
586.87726	0.9
675.15637	2.9
693.16296	9.8
694.16559	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	693.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73655	0.6
59.01376	100.0
60.01702	1.3
61.98826	10.6
67.69051	0.7
69.80455	3.0
71.01412	0.7
78.95901	2.2
79.64324	0.6
80.58018	0.6
120.51797	0.6
152.99588	1.4
197.11919	2.3
277.21674	7.7
291.23349	1.1
404.01578	0.6
458.05838	0.7
545.74713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01702	0.7
61.98831	4.8
71.01385	3.4
71.75391	0.3
74.42640	0.3
78.95908	0.8
85.02956	1.1
89.02442	2.4
91.95565	0.4
99.18200	0.3
101.02448	2.0
113.02450	2.1
118.49448	0.4
119.03525	1.6
143.03604	0.4
152.07742	0.3
152.99612	0.7
161.04605	1.4
179.05661	1.3
277.21808	1.6
362.50238	0.4
413.20950	0.8
415.73700	0.4
503.55759	0.4
545.23889	0.4
613.41254	1.5
614.40564	0.4
631.42657	1.1
632.44458	0.4
642.92572	0.4
657.39417	0.4
675.41913	0.6
691.44135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00880	0.4
59.01376	31.2
60.01717	0.3
61.98811	0.6
68.03203	0.3
69.08287	0.3
71.01372	0.9
71.53680	0.7
74.51942	0.4
81.04710	0.3
85.02946	1.1
85.06586	10.8
87.00870	0.9
93.03456	0.6
95.01368	0.4
96.96011	2.7
98.95592	1.5
101.02403	0.5
111.69668	0.3
113.02458	0.4
113.06083	11.3
119.05019	0.9
131.07135	100.0
132.07475	3.1
137.02443	1.2
145.02924	0.4
147.04547	0.6
147.55923	0.3
149.06056	0.5
151.03951	0.4
163.03949	0.5
165.01927	6.8
173.08179	45.8
174.08545	2.1
179.03505	0.7
180.04266	4.0
191.05545	0.9
195.06612	9.7
196.06903	0.5
217.07169	0.4
225.07654	1.7
243.08713	0.6
255.02901	0.6
285.04077	0.4
300.02710	0.8
314.04175	0.7
315.05026	1.0
327.08719	1.3
403.14047	1.0
451.15765	0.6
477.09973	0.8
579.23090	0.5
651.24310	0.4
695.24945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91624	0.6
59.01375	100.0
59.76355	0.8
61.98830	3.8
68.99590	1.1
71.02864	0.6
71.79739	0.6
78.95901	8.3
82.19271	0.6
88.64133	0.7
97.23277	0.7
112.98581	0.8
142.30804	0.6
146.02412	0.6
152.99513	1.0
162.74802	0.7
190.31354	0.8
234.75101	0.8
279.23294	1.2
319.32977	0.8
391.65527	0.8
430.95718	0.7
695.31104	38.4
696.31238	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	691.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42389	0.7
53.55829	0.6
55.01863	0.9
57.03444	5.0
59.01379	45.1
61.98825	2.0
65.03941	0.8
67.01876	3.4
68.99825	1.3
69.03457	2.3
71.01377	18.7
71.02158	1.4
72.99315	5.3
73.02949	1.1
75.00873	13.7
75.11751	0.7
78.95913	1.0
79.70046	0.8
79.95773	1.0
81.03460	1.8
81.35652	0.7
83.01385	1.2
83.05027	2.8
85.02953	23.2
87.00880	14.6
89.02422	5.0
91.04002	1.5
93.03457	13.0
95.01369	4.6
95.05036	0.9
96.96010	18.6
96.96953	1.9
97.02923	1.0
99.00872	9.0
99.04502	1.1
101.02430	2.4
103.00388	1.9
109.02934	2.9
109.06565	1.6
111.00864	1.5
111.04518	5.5
113.02444	23.4
115.00349	1.5
117.01930	2.6
121.02940	1.1
121.80045	0.7
125.02420	1.3
125.06086	2.4
127.04000	3.0
129.01927	2.3
130.99934	0.8
131.03444	1.4
134.03824	1.4
135.04512	2.6
137.02437	3.5
143.05054	0.8
145.03027	0.7
147.04506	2.8
149.04533	0.9
149.06065	0.9
151.00313	1.3
155.03535	4.2
161.02426	2.9
161.13371	1.0
163.04031	1.5
165.05392	0.9
173.04565	13.2
173.06020	2.2
175.02504	1.7
175.03944	1.9
178.99815	1.5
179.03481	2.3
187.07684	1.2
187.11340	1.6
191.05602	45.2
192.05907	2.0
193.05029	1.7
201.09189	2.2
205.07184	2.8
205.12296	2.5
207.10214	2.2
209.03044	0.9
215.07118	1.6
216.07901	1.5
223.13364	5.7
227.03688	1.0
227.10880	2.3
231.05031	1.8
245.11835	1.5
249.06145	19.8
250.06706	1.5
267.07217	12.4
284.03177	1.8
289.10809	1.3
309.08325	2.4
318.68848	0.9
333.09851	8.0
349.09341	1.7
361.07117	0.9
379.08298	1.7
415.99420	0.8
455.19128	2.6
463.07022	1.1
473.20245	8.2
499.18332	4.6
517.19226	39.4
518.19818	4.5
579.13654	1.2
673.23578	1.2
691.24585	100.0
692.25073	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	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16395	0.8
55.01872	1.4
57.03440	2.1
59.01379	9.6
61.98815	1.3
63.02400	6.4
65.00329	6.0
66.22023	0.7
69.03430	0.7
69.23418	7.2
71.01375	4.3
72.99342	0.8
73.02901	0.9
75.00858	3.7
78.95879	1.0
83.01380	6.6
85.02930	5.3
85.18447	0.8
86.05821	0.7
87.00859	2.7
87.05778	0.8
89.02419	2.3
91.93645	0.7
93.03452	6.1
95.01376	1.2
96.96024	3.9
97.02937	0.9
98.20624	1.3
107.01393	11.1
111.00827	2.3
113.02422	2.4
115.75307	0.8
119.05017	0.8
122.05284	1.0
123.00793	1.2
124.01657	13.8
125.02468	7.9
129.01917	3.3
133.02913	0.9
135.04497	2.6
139.00322	1.2
145.02907	2.8
147.02966	1.4
147.04370	0.9
149.06085	0.8
151.00359	46.8
152.01152	38.3
153.01888	3.8
159.04477	2.0
161.02402	1.6
165.04013	3.0
165.05368	1.0
169.01395	3.4
173.04488	6.1
173.06044	2.6
178.99860	50.0
179.03284	2.4
180.00166	1.7
185.05933	1.0
187.03912	1.6
187.07597	2.5
189.01877	1.5
189.05548	7.2
191.03848	1.1
191.05579	7.9
193.04930	0.9
196.36990	0.8
199.07652	0.8
200.04733	3.5
201.05516	2.8
207.05074	6.6
214.06430	1.0
215.07112	34.3
216.07559	2.9
217.08629	2.2
219.02774	0.8
225.05722	1.0
226.02757	1.4
227.07129	2.4
241.01366	1.1
241.05042	4.9
242.05710	2.2
243.06625	4.8
253.04930	1.7
255.02798	3.0
267.06836	2.6
269.04352	1.5
269.07526	1.1
270.05167	1.6
271.02432	4.7
271.06207	2.0
280.07440	1.4
284.03125	2.3
289.08466	0.8
292.07382	1.6
293.08020	1.2
295.05920	1.1
299.01886	2.3
299.05261	1.3
300.02731	7.2
305.08118	1.2
311.01868	1.5
322.04807	1.2
325.07101	1.1
333.07684	3.8
334.08319	2.5
336.06155	1.9
350.04285	0.9
353.06281	1.5
361.07126	3.5
362.07376	1.0
378.07489	1.7
379.08173	12.1
380.08224	2.0
397.09198	10.8
398.09570	1.0
499.18155	1.1
526.87610	1.0
605.24219	1.1
660.87628	1.0
690.29401	0.9
691.18518	100.0
692.18958	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	691.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
59.01377	5.0
61.98816	1.7
63.02399	5.2
65.00317	5.8
68.99780	0.8
71.00988	0.7
71.01376	2.3
71.54581	1.0
73.02937	1.5
73.19332	0.7
75.00871	0.9
83.01373	4.1
85.02933	4.1
87.00862	3.0
89.02412	1.6
93.03443	4.1
95.01390	1.5
96.96014	3.4
99.00852	0.9
101.02464	1.8
107.01376	11.7
109.02965	0.7
111.00851	1.6
111.04467	1.0
113.02434	1.6
119.05018	0.9
121.02891	0.9
123.00847	1.6
124.01655	11.4
125.02451	7.7
128.32965	0.7
129.01909	1.0
131.03525	0.7
137.02422	1.3
139.00336	1.8
145.02890	2.9
147.04469	1.1
149.06137	0.7
151.00357	47.2
151.56534	0.7
152.01157	40.4
153.01724	3.0
159.04475	2.7
160.88438	0.8
161.02342	1.1
163.03944	1.5
165.04018	1.0
169.01398	3.6
169.56334	0.7
173.04509	5.2
173.06030	2.5
175.03885	1.5
177.01839	0.8
178.99849	50.1
180.00131	2.4
182.48289	0.8
185.06055	1.0
187.03947	1.4
187.07576	3.5
189.05522	5.9
191.05559	5.7
193.01225	1.0
193.04971	0.9
199.07599	2.0
200.04776	3.9
201.05455	3.1
207.05026	1.2
209.02884	1.1
215.07101	31.6
216.07574	3.3
217.08626	2.3
225.05598	1.0
227.07121	1.2
232.03630	1.2
241.05101	5.2
242.05637	2.9
243.02885	0.9
243.06557	3.4
251.03540	0.7
253.04985	1.9
254.05832	1.2
255.02875	2.1
263.07010	0.9
267.06906	2.3
269.04504	1.3
270.05289	1.8
271.02402	3.8
271.05923	2.2
280.07495	1.2
281.07950	0.9
284.03165	2.5
290.39325	0.8
291.06589	0.9
293.08185	1.4
299.01859	2.0
299.05298	1.4
300.02707	8.0
305.07990	0.9
322.04861	1.0
333.07422	2.7
334.08347	1.5
336.06351	1.6
343.21219	1.3
350.04279	1.2
353.06595	1.0
361.07043	1.5
376.03894	0.7
378.07278	3.0
379.08139	11.6
379.42975	0.8
380.08347	1.2
396.08206	1.4
397.09338	10.4
463.28387	0.8
517.25995	1.0
565.15552	1.1
691.18579	100.0
692.18909	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	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
59.01370	4.1
63.02395	5.6
65.00318	4.7
68.99815	0.8
71.01390	3.3
71.54195	0.8
71.54586	0.9
73.05683	0.6
75.00874	1.5
75.01931	0.6
78.25426	0.6
80.65281	0.6
83.01366	4.9
85.02941	2.7
87.00887	1.4
89.02425	0.9
93.03452	4.9
93.23976	0.7
95.01398	1.5
96.96025	3.5
101.02411	0.8
107.01386	11.0
111.00880	1.5
111.04501	1.0
123.00864	1.9
124.01667	11.4
125.02473	7.6
137.02435	1.6
139.00362	1.6
145.02942	2.9
147.04555	0.9
151.00365	44.7
152.01151	35.3
153.01813	2.8
159.04471	1.7
161.04652	0.7
163.03986	0.9
165.04074	0.8
169.01378	3.3
173.04530	4.1
173.06004	2.0
173.09793	0.7
175.04008	1.4
177.01915	1.1
178.99852	46.1
180.00191	2.2
187.03925	1.3
187.07652	3.5
189.01895	1.9
189.05557	6.3
191.01881	0.8
191.03839	1.0
191.05530	4.9
193.04909	1.1
199.07652	1.1
200.04726	2.7
201.05528	2.3
202.06464	0.7
203.03447	1.2
207.05064	1.3
211.03947	0.9
215.07117	32.1
216.07605	2.5
217.08665	1.3
225.05495	1.0
226.02689	1.4
227.07158	0.9
229.04973	0.8
232.03940	0.9
241.01212	0.8
241.04977	5.6
242.05843	3.1
243.02954	1.0
243.06561	4.8
253.04993	1.8
254.05865	0.7
255.02934	2.3
267.06790	1.1
269.08109	0.7
270.05386	1.6
271.02469	2.9
271.06027	2.2
280.07324	1.3
281.07977	0.7
284.03128	0.9
291.06573	1.0
293.08051	1.1
299.01913	2.5
299.05377	1.5
300.02713	6.4
305.08148	1.4
309.04123	0.8
309.07724	0.9
311.01883	0.9
322.04749	1.3
325.07050	0.8
333.07895	1.6
334.08459	1.7
336.06393	2.4
349.06955	1.1
353.06604	1.2
378.07425	2.3
379.08167	11.0
380.08453	1.1
397.09283	10.2
398.09427	1.4
517.26306	0.9
628.29938	0.7
691.18646	100.0
692.18811	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	689.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14420	3.9
58.76629	4.2
59.01377	30.9
61.98819	20.6
63.51997	4.6
65.76797	4.3
71.01374	13.5
78.95911	6.0
83.58150	4.6
85.02950	5.0
89.02443	16.6
98.20659	11.2
101.02483	10.6
125.02426	6.4
235.08302	8.4
255.23277	42.1
313.39398	4.6
327.79794	5.2
397.13510	100.0
398.13675	6.9
415.14331	24.8
653.37079	24.1
689.35272	99.5
690.35437	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	687.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
59.01377	6.9
61.98810	0.4
65.15369	0.4
65.74731	0.4
66.37766	0.4
68.99829	0.6
71.01376	8.9
72.99294	3.0
73.02931	0.9
75.00871	7.5
80.08995	0.5
83.05017	0.5
85.02939	9.9
85.03457	0.5
87.00880	4.7
89.02443	1.3
95.01382	2.4
98.19749	1.0
99.00861	6.6
101.02465	0.9
103.00381	0.9
111.00897	0.6
111.08141	0.9
113.02445	8.1
115.00340	1.5
116.71230	0.4
117.01904	0.9
127.03966	0.5
129.01947	0.6
131.03493	0.6
139.17787	0.4
149.06105	0.5
158.86247	0.4
165.12837	11.2
175.02463	1.3
183.13885	79.5
184.14238	4.3
209.11839	2.4
227.12852	4.6
301.16495	0.7
304.67957	0.5
370.80493	0.5
377.15601	0.5
415.19641	1.0
459.18732	0.8
477.19904	1.3
511.29105	4.1
512.29614	0.9
528.29425	0.5
582.84497	0.6
625.31848	3.9
626.32037	0.7
669.31232	2.6
687.32239	100.0
688.32715	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	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38275	0.4
55.01879	0.8
57.03451	1.1
59.01375	7.8
61.98830	1.1
69.03449	4.4
69.80841	0.3
71.01379	7.5
71.05019	1.6
71.54491	0.8
72.99310	0.6
73.02946	1.7
75.00874	0.5
78.95888	0.5
80.02679	1.2
81.03465	1.6
83.01388	1.2
83.05022	4.4
84.02164	1.1
85.02955	2.7
87.00874	3.6
89.02450	2.9
93.03486	0.9
95.01381	0.9
95.05011	1.1
96.96017	0.7
97.02959	1.0
97.06588	1.3
99.00883	1.6
101.02445	5.0
108.02163	0.4
109.02927	0.4
109.06594	1.0
111.04523	1.0
113.02434	2.4
119.03526	1.0
121.06634	0.5
123.08176	1.0
125.02402	0.5
125.06057	0.6
125.09743	2.4
130.99869	0.5
135.08171	1.1
136.05298	0.5
139.07568	0.5
145.02943	1.3
147.04530	0.8
147.11919	0.4
151.11270	2.2
153.12875	1.3
161.04530	1.5
161.09676	2.8
162.10112	0.4
163.03865	0.5
163.11285	4.6
165.04019	0.6
165.12828	2.9
171.10284	1.7
173.04575	0.4
175.03964	0.8
179.10760	6.5
181.12341	1.0
191.10745	1.5
197.11819	51.6
198.12128	3.4
199.13327	0.5
207.10251	1.7
209.11816	52.4
210.12154	2.9
223.09744	1.6
225.11288	2.0
226.25578	0.4
227.12885	3.6
241.10727	2.9
253.09270	3.4
254.04340	0.6
284.03290	1.1
299.05731	0.7
307.08200	0.7
314.04135	0.4
343.07123	0.4
439.26611	0.4
459.18491	0.9
460.26505	0.4
477.20026	1.8
495.14014	0.4
614.36719	0.6
643.36572	0.5
651.30115	0.5
669.30530	1.2
687.32263	100.0
688.32587	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	685.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37027	1.0
57.03441	1.0
59.01381	12.3
59.37641	0.9
61.98821	6.9
68.99822	1.2
71.01394	7.3
71.54489	1.2
73.02940	4.9
75.00874	2.4
76.95725	1.1
79.05540	1.1
83.01386	1.4
85.02948	10.3
87.00872	100.0
88.01204	1.6
88.98805	1.7
89.02462	3.8
91.05531	4.3
93.03438	4.9
95.05042	3.0
96.95987	2.2
97.06577	1.7
98.74878	1.1
99.00884	1.1
101.02427	4.6
103.05527	3.5
105.03467	6.6
107.05036	1.6
108.02189	2.1
109.02975	1.1
111.00853	1.5
111.04547	1.2
113.02448	4.6
117.03436	1.3
119.03547	1.7
119.05004	7.8
121.02950	9.9
122.03722	3.7
123.04489	1.0
125.02489	1.4
129.01917	2.0
129.03497	1.5
130.99858	50.3
133.02957	1.8
133.06703	1.0
135.04491	3.0
136.05301	1.4
137.02417	18.7
138.02791	1.2
139.04013	6.6
145.02945	2.3
147.04510	67.4
148.05313	13.2
149.02487	1.3
149.06052	3.1
150.03156	1.2
161.02467	5.4
162.03072	1.1
163.04042	2.0
163.07683	1.6
164.04826	1.9
165.03967	2.0
173.04614	1.3
174.03294	1.3
175.03925	2.1
176.04688	3.4
179.10701	1.1
187.07648	1.2
188.04857	1.1
189.05569	1.8
191.01915	3.1
191.03490	11.6
191.05450	2.1
192.04243	12.7
193.04921	3.4
201.09187	2.2
207.03053	1.4
218.02029	1.4
237.03876	1.3
254.04308	66.9
255.04594	4.4
284.03256	6.7
285.03876	1.3
289.10834	3.5
299.05472	6.9
333.09763	54.3
334.10135	6.0
349.57883	1.0
351.10806	52.3
352.11066	4.7
479.18970	2.0
532.44159	1.1
542.25690	1.1
554.80396	1.1
609.07483	1.2
685.37256	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	686.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
60.01978	0.1
61.98827	100.0
62.90148	0.1
62.98513	0.1
62.99264	0.1
70.06804	0.4
71.01385	0.2
72.54439	0.1
75.00868	0.1
79.18053	0.1
82.01616	0.1
85.02937	0.5
85.15404	0.1
87.00884	0.5
89.02470	0.1
93.03481	0.3
98.19917	0.2
113.02467	0.2
134.03799	0.2
136.79579	0.1
145.02972	0.2
147.04565	0.2
149.06125	0.2
173.04572	0.3
191.01886	0.1
191.05614	0.3
193.05034	0.1
209.03166	0.2
227.03394	0.1
243.10228	0.2
255.02893	0.3
256.22278	0.1
284.03293	0.2
314.04333	0.3
315.04822	0.4
316.04950	0.2
317.04895	0.1
329.06543	0.8
330.06964	0.4
331.07523	0.3
332.07809	0.3
351.10690	0.2
461.10977	0.1
579.64941	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65993	0.7
55.01858	0.8
57.03442	3.2
59.01370	9.2
61.98825	4.7
68.99806	1.2
71.01379	5.1
72.99301	1.1
73.02935	1.5
75.00857	2.1
79.05514	1.3
79.95753	0.8
85.02947	22.9
87.00871	49.9
88.01193	1.1
89.02448	2.7
91.05519	3.7
93.03452	3.1
95.05029	1.9
97.06580	3.8
98.56194	0.8
99.00874	0.9
101.02401	2.6
103.05529	2.5
105.03463	3.7
107.05019	8.8
108.02160	2.0
112.05305	1.3
113.02428	1.9
117.01913	0.8
119.05042	6.5
121.02946	15.9
122.03741	9.0
123.04473	2.3
129.01947	2.0
129.03496	1.1
130.99864	20.2
132.02202	1.0
133.02969	1.6
134.03702	4.3
135.04565	4.1
137.02432	10.5
139.03989	3.4
145.02957	1.7
146.03770	1.1
147.03038	3.4
147.04504	41.3
148.05289	9.6
149.02388	2.5
149.06041	3.0
150.06483	0.9
154.02676	1.4
161.02435	4.0
163.03958	6.4
164.04768	3.3
165.03976	1.2
165.05479	1.3
166.02716	1.0
173.04512	1.7
175.03946	1.7
176.04803	1.4
188.04842	0.8
191.01897	7.7
191.03484	9.9
191.05379	1.8
191.10767	7.7
192.04224	7.9
193.04968	3.7
194.02232	1.7
199.03870	1.0
201.05460	1.0
201.09177	2.0
219.10251	4.0
224.03032	0.9
229.08601	0.9
229.63097	1.1
233.06731	0.8
236.09573	1.3
254.04285	23.3
255.04640	1.8
261.11353	1.0
284.03159	4.6
285.03839	1.3
289.10690	4.3
291.08652	3.3
299.05536	5.0
300.02698	1.3
333.09756	29.3
334.10016	3.5
351.10797	100.0
352.11139	10.2
373.25821	1.6
428.52808	0.9
431.26617	1.2
481.35413	0.9
685.24841	1.3
685.37360	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	683.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78099	0.9
57.03428	4.4
59.01347	2.7
61.98823	22.2
62.26423	1.0
71.01369	5.3
71.10325	1.4
71.10674	2.3
78.95882	1.3
80.91348	1.1
87.00845	1.7
89.02426	1.5
95.04995	1.4
97.06581	12.0
101.02424	4.5
113.02448	1.6
123.08148	7.8
125.09718	71.4
126.10040	2.4
145.05057	1.1
161.04544	1.7
187.09737	30.9
199.33795	1.1
235.08226	2.0
253.09207	2.4
255.23256	3.0
261.13318	1.3
277.21683	40.6
278.21979	3.4
279.23630	1.1
318.26044	1.0
405.17596	4.1
423.18604	3.7
499.87766	1.0
651.24884	3.5
683.39972	100.0
684.40240	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.0
59.01374	5.9
61.98817	3.9
70.74680	0.9
71.01375	4.7
71.53292	1.1
78.95908	1.3
87.00880	1.4
88.61368	0.9
89.02428	4.4
95.05003	1.4
97.06594	11.9
101.02438	2.9
113.02419	2.3
123.08157	5.7
125.09718	96.9
126.10026	3.4
131.20706	0.9
169.08711	2.3
187.09743	68.9
188.10078	2.7
236.85970	1.1
253.09157	1.7
255.23157	1.0
261.13345	0.9
277.18854	1.7
277.21692	17.9
278.21930	1.6
340.33740	0.9
356.08725	1.0
405.17596	3.9
423.18652	13.2
424.19119	1.2
593.00488	1.0
683.40045	100.0
684.40350	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	685.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
59.01381	4.0
61.98822	4.2
68.48013	0.5
68.54185	0.6
69.03454	1.8
69.35950	1.9
69.36369	2.4
71.01385	2.5
72.99294	1.1
73.02948	1.8
81.03436	0.8
83.01392	0.6
83.44891	0.6
85.02938	2.8
87.00871	17.7
88.01189	0.8
88.98785	2.7
89.02436	1.2
89.91860	0.7
93.03482	0.8
97.06607	3.2
98.20595	1.0
101.02439	3.2
109.02918	1.3
113.02454	1.3
117.03481	0.5
119.05022	0.9
121.02964	3.3
122.03766	0.8
123.04512	1.6
125.02444	0.9
127.56084	0.5
130.99860	3.6
133.02953	1.0
134.03719	0.9
135.04533	1.7
137.02449	1.9
139.04013	0.8
145.02936	1.4
146.03705	3.6
147.04506	8.7
148.05246	1.8
149.02403	0.7
149.06107	2.7
159.04538	4.1
160.05292	1.3
161.02405	1.4
161.06071	2.3
162.06874	1.3
163.03966	1.4
163.07626	2.0
163.11391	0.5
165.05547	0.6
168.54361	0.6
172.05287	8.5
173.04536	1.8
173.06027	13.5
173.09618	0.8
174.03233	1.4
174.06763	1.6
175.03964	2.5
175.06271	1.0
175.07634	11.3
176.04774	3.1
176.08052	0.7
185.06049	1.2
186.06860	4.0
187.03976	2.3
187.07625	8.9
188.04749	1.7
188.08209	1.6
189.00137	0.8
189.05605	4.3
189.09203	2.7
190.06334	3.4
191.05524	0.9
191.10780	2.5
192.04274	1.5
193.04990	0.7
196.05217	1.0
197.06062	3.7
198.06783	2.0
199.11429	0.7
200.04739	5.4
200.08380	0.7
201.05530	4.9
201.09193	17.4
202.06161	1.0
202.09550	1.6
203.07130	4.3
204.07903	6.7
205.08299	1.0
211.07648	1.4
212.08408	0.9
215.07104	7.1
216.07863	7.3
217.05013	1.2
217.08626	5.3
217.12300	1.5
218.09155	0.6
219.10251	9.2
220.10591	0.6
225.09238	1.9
227.10765	13.4
228.11136	1.4
229.08672	18.0
230.02307	0.8
230.09042	1.3
243.10182	1.7
245.08144	2.3
245.11797	12.2
246.12172	1.3
247.09700	2.1
254.04382	0.7
256.00183	0.7
258.01654	2.8
260.06842	0.7
261.11285	1.6
271.02298	0.8
271.09808	3.2
273.07651	11.5
274.07922	1.3
274.61227	0.6
284.03400	1.4
289.10809	12.7
290.11142	1.1
291.08527	0.7
299.01846	0.8
299.05573	1.5
314.04230	1.0
315.05447	0.7
315.08987	0.6
333.09775	59.9
334.10019	6.7
335.10379	2.1
351.10809	100.0
351.91290	0.6
352.11166	9.3
623.16278	1.9
646.28516	0.7
685.24744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13578	0.7
50.17278	0.7
55.01862	0.8
57.03439	0.9
59.01380	9.1
61.98829	11.0
65.60293	0.7
69.03461	1.5
69.08990	0.8
71.01379	7.5
73.02942	1.4
75.00872	1.4
85.02947	3.7
87.00888	4.5
88.98793	8.2
89.02430	3.9
91.05496	0.9
93.03436	3.2
95.01415	1.2
95.05014	1.3
97.06602	1.1
98.19843	1.8
99.00900	1.0
101.02454	4.6
107.34595	0.8
108.02120	0.9
109.02960	1.7
111.00875	0.9
111.04501	1.0
113.02431	3.4
119.03424	1.2
119.05023	2.7
121.02943	2.5
122.03723	1.0
123.04515	1.1
135.04523	1.9
137.02446	7.3
139.03992	2.2
145.02948	2.6
146.03685	3.7
147.04524	20.4
148.05293	6.3
149.06021	1.0
155.03534	1.2
157.93533	0.9
158.03734	0.9
159.04507	8.3
160.05226	2.6
161.02426	1.6
161.04721	1.4
161.06081	5.8
163.04031	1.2
164.04889	1.0
165.04063	1.8
165.05550	0.8
166.99413	1.0
172.05272	7.1
173.04509	3.7
173.06061	19.2
174.03209	2.4
174.06819	4.8
175.03990	1.9
176.04672	1.2
178.92755	0.8
180.05609	0.9
185.06084	3.2
186.06874	5.8
187.04036	6.5
187.07655	5.9
188.04724	1.3
188.08406	1.5
189.05545	7.7
189.09099	1.5
191.03525	2.2
191.05580	3.5
192.04231	2.6
193.05090	1.2
196.05356	1.5
197.06088	3.9
198.06879	2.7
199.07674	2.3
200.04697	2.2
200.08434	2.8
201.05569	10.3
201.09183	2.7
211.07695	1.4
211.13391	2.7
212.04684	0.9
212.08293	1.7
213.05594	2.4
213.09187	1.1
214.06282	1.2
215.07172	4.7
215.10759	0.9
216.07877	10.5
218.05827	1.1
227.03487	1.1
227.10658	1.0
236.03305	1.4
241.12369	1.8
245.11942	1.0
255.03015	1.2
255.13826	1.2
260.06943	1.8
268.11121	1.2
269.15469	1.1
271.13333	1.0
271.17035	1.4
279.06674	1.1
283.13373	3.6
284.03207	2.6
285.14932	3.2
295.16989	1.2
297.14948	34.4
298.15347	3.4
299.05527	1.0
299.12854	1.0
300.13547	2.0
301.14328	1.8
311.12933	4.1
312.13266	1.4
313.18082	2.9
315.15979	10.9
316.16467	1.2
321.15332	1.1
323.16513	24.6
324.16785	3.0
329.14020	1.2
333.09738	2.5
339.15900	1.0
341.17569	30.6
342.17920	3.5
351.10736	5.3
359.18573	8.5
367.15372	2.3
377.13882	2.7
385.16602	3.7
400.43594	0.9
403.17691	2.5
465.10834	1.5
535.30811	0.9
551.24908	1.1
577.26111	2.8
595.27545	9.5
596.28021	1.9
621.25745	2.4
622.24689	1.2
639.16724	1.7
639.26587	20.3
640.26965	3.6
665.24652	13.1
666.25134	2.3
683.25549	100.0
684.26007	17.6
684.37659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83903	1.0
55.84185	1.1
57.09243	0.8
59.01382	7.6
61.98820	2.7
63.30025	0.9
68.99831	1.1
71.01398	3.8
75.00861	1.2
85.02984	1.9
87.00873	27.7
88.01256	1.2
88.98805	2.7
89.02453	2.5
91.05559	3.3
93.03471	3.7
95.05045	1.4
96.96027	3.4
99.00864	1.3
101.02478	1.8
102.78029	1.0
105.03453	1.7
109.02965	2.5
111.00900	2.2
113.02505	2.1
119.05042	5.5
121.02953	8.3
121.56380	0.9
122.03721	5.2
123.04536	2.3
124.01699	2.7
125.02402	1.3
129.03503	2.3
130.99858	6.3
133.02956	7.0
135.04562	1.5
137.02437	77.7
138.02840	3.2
139.04005	26.2
142.11530	0.9
145.02910	5.0
146.03734	3.4
147.04515	100.0
148.05309	59.2
149.06105	5.2
150.03180	1.3
151.03993	1.4
159.04564	2.6
161.02480	2.6
161.06075	1.7
163.04012	8.3
163.07658	1.5
164.04791	5.8
165.01891	1.6
172.05286	2.9
173.02498	1.2
173.04675	1.3
173.05989	5.2
174.03302	1.7
174.06845	1.5
175.04056	2.6
175.07629	1.7
177.01894	1.2
179.03557	1.8
185.06050	1.2
186.06950	1.5
187.04071	3.5
187.07672	2.5
188.04851	2.8
189.05560	2.4
191.03598	5.4
191.05360	1.2
192.04269	47.5
193.04922	3.3
199.07739	1.2
200.04730	0.9
201.05609	3.0
201.09225	2.2
207.02969	7.5
211.13451	3.6
215.07108	2.1
217.01399	2.4
218.02225	4.1
219.03044	3.0
224.03255	7.3
225.09140	1.1
227.03630	1.6
229.08823	1.3
235.05975	1.3
236.03229	35.7
237.03990	4.4
243.10271	2.1
245.08119	1.7
255.03056	2.6
261.04150	2.2
284.03256	11.0
285.03818	2.6
297.15042	2.0
297.18332	1.1
299.05533	8.1
300.05954	1.7
313.17996	4.5
323.16327	5.8
333.09995	1.3
339.15631	1.1
341.17551	10.0
348.13760	1.1
349.09384	2.5
357.17059	1.3
359.18842	2.9
359.28128	1.5
376.53696	1.1
380.06610	1.1
385.16684	1.3
430.08820	1.0
436.11404	1.1
491.29691	1.2
565.22858	1.3
577.26990	3.4
595.27704	6.5
621.25842	2.9
639.26385	7.8
640.26746	1.3
665.17938	4.2
665.25256	6.5
683.25977	59.6
684.26392	12.9
684.36810	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	683.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.98824	5.6
63.81717	0.7
68.99801	1.5
69.03448	1.0
69.62260	3.2
69.62674	1.2
71.01395	3.8
71.28884	0.6
73.02949	1.0
75.00861	2.5
78.95937	0.7
79.05536	1.1
83.01363	0.8
85.02939	2.7
85.46796	0.6
86.44027	0.7
87.00875	18.0
88.98785	1.0
89.02454	1.5
90.58790	0.6
91.05538	6.5
93.03468	3.2
95.05035	4.7
96.96014	1.3
99.00884	1.0
101.02426	3.4
101.04000	1.0
103.05536	3.5
105.03461	6.9
108.02170	2.6
109.02925	2.0
111.00845	1.4
113.02423	1.8
116.84670	0.7
117.03495	0.9
119.05016	9.1
121.02953	13.7
122.03757	4.9
123.04543	1.4
124.01678	1.5
129.03462	2.9
130.99878	3.5
131.05028	0.7
133.02931	5.8
134.03737	0.8
135.04497	1.8
137.02435	54.0
138.02805	1.5
139.04012	18.5
145.02924	5.9
146.03737	4.5
147.04515	100.0
148.05310	46.4
149.06088	5.1
150.03154	0.8
151.03920	0.9
158.03761	0.7
159.04512	2.0
160.05209	0.6
161.02394	1.7
161.04639	0.8
161.06073	2.2
161.77879	0.7
162.03207	1.4
163.04024	7.1
163.07617	2.4
164.04808	4.6
165.01971	1.3
165.04007	0.9
171.04456	0.9
172.05286	2.2
173.02365	0.8
173.04626	1.1
173.06053	5.1
174.03209	1.9
174.06854	1.2
175.03976	1.8
175.07657	1.2
179.03441	1.6
183.04564	0.9
185.06062	1.5
187.03990	1.6
187.07663	1.5
188.04828	2.2
189.05563	2.6
191.03499	7.5
191.07164	1.5
192.04271	41.8
193.04979	3.9
197.06084	1.2
199.07596	1.0
201.05583	1.8
201.09224	3.1
207.02946	7.7
211.13371	11.6
213.09129	0.7
215.07065	1.9
216.07852	1.2
217.01422	4.5
217.05084	1.4
218.02188	8.9
219.02928	1.5
224.03191	5.5
229.08820	1.2
235.02483	1.8
235.06027	1.4
236.03238	25.7
236.05620	1.2
237.03824	4.8
243.10194	1.8
245.04372	0.9
245.08136	1.4
253.09306	1.7
254.04247	0.8
255.02919	0.8
257.08130	0.9
261.04056	1.6
271.02600	1.0
284.03220	5.8
293.08755	0.7
295.17148	1.1
297.14935	2.0
298.04788	0.9
298.49573	0.8
299.05637	5.4
300.02597	0.9
300.05920	0.9
313.03531	0.8
313.07166	1.8
313.18188	2.6
323.16531	5.2
333.09756	1.6
341.17484	5.3
348.13736	0.8
349.09274	1.1
351.10748	1.3
357.16727	1.1
359.18585	2.6
385.16568	1.3
446.15817	0.9
565.23077	0.8
577.26868	2.2
595.27643	4.5
621.25806	1.2
639.26904	9.1
640.27533	1.1
647.16968	1.5
665.18549	5.6
665.25336	5.2
666.25616	1.3
683.25775	68.7
684.26270	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	683.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27913	0.6
59.01385	3.8
69.62244	3.8
70.54797	0.7
71.01372	5.2
73.02935	2.2
75.00855	0.9
83.01391	0.9
85.02951	5.0
87.00874	9.4
93.03462	0.7
95.01360	0.7
96.95995	1.0
98.20689	0.9
99.00837	1.2
101.02430	2.6
113.02448	1.8
117.03491	0.7
121.02931	2.3
123.00900	0.8
125.02419	1.0
135.04564	1.3
137.02452	1.1
138.03207	1.6
145.02904	2.0
146.03752	1.1
147.04492	3.0
149.06042	0.7
153.05524	1.2
159.04494	8.8
160.05273	1.8
161.02470	5.4
161.04648	1.1
161.06071	3.9
162.03136	1.5
163.03978	2.4
173.02371	2.7
173.04626	1.6
173.06067	3.6
174.03134	0.9
175.04004	1.9
177.05557	1.0
179.03465	1.1
181.04974	1.0
187.03976	0.9
188.01138	0.9
189.01833	1.3
189.05617	1.3
190.02725	1.6
190.85172	0.7
191.01952	1.1
191.03546	1.1
191.05573	1.6
197.06056	0.8
203.03494	1.6
204.04115	1.0
205.05002	2.5
207.02905	1.6
209.02998	1.6
223.07869	0.9
225.05563	5.7
229.14211	0.6
239.07072	0.9
241.05072	3.9
249.05440	0.9
249.07761	0.7
251.03391	1.9
251.07053	1.3
253.05046	7.2
254.05750	1.3
267.06799	1.8
268.04034	0.7
268.07306	3.2
269.04535	17.5
269.07837	1.2
270.05280	5.1
271.06061	7.8
272.06531	1.4
277.05060	3.2
279.02945	3.1
279.06372	1.5
280.03571	1.3
281.04559	6.8
282.05112	0.7
283.06100	0.8
284.06900	9.2
285.07574	2.9
286.08478	6.2
287.08945	1.1
294.05371	1.0
295.06137	2.7
296.03232	2.1
296.06650	1.2
297.03983	9.3
297.07584	3.6
298.04544	1.0
299.09204	11.9
301.10803	7.0
302.11395	0.7
305.04456	1.8
307.02448	0.9
307.05695	0.9
309.07614	1.0
310.08508	1.0
311.05563	4.2
311.09286	1.3
312.06305	8.3
312.10056	2.6
313.07034	2.3
322.04767	2.8
323.05576	4.3
325.07123	6.4
326.07990	7.1
327.08780	22.8
327.12329	5.7
328.09094	2.2
329.10208	0.9
337.07092	4.0
338.07928	5.3
339.04895	1.2
343.11789	1.8
353.10269	7.6
354.07214	1.6
354.11096	0.9
355.08221	4.3
356.33713	0.7
357.13293	1.4
369.09793	4.6
371.11221	4.6
397.09354	5.0
399.06995	1.1
405.15613	1.8
415.10605	1.0
417.15329	0.9
435.16724	1.5
441.08179	1.5
459.09070	4.0
551.17645	4.9
552.18445	0.8
579.17041	3.1
593.18744	2.1
621.18317	2.5
623.16095	4.6
624.16846	0.9
683.18207	100.0
684.18567	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	683.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18992	0.2
59.01357	0.5
60.99305	15.9
69.59869	0.5
69.60298	0.7
71.01392	0.3
75.00869	0.3
85.02924	0.5
85.09515	0.2
87.00890	1.4
88.00401	0.3
88.98804	100.0
89.02438	1.7
89.99128	1.2
91.47674	0.2
93.03471	0.2
96.79957	0.2
98.20625	0.4
101.02422	0.4
149.02396	0.4
165.03970	0.2
165.05508	0.3
173.04539	0.3
189.05754	0.2
191.03572	0.3
198.93253	0.2
208.74876	0.2
224.48111	0.2
284.03259	2.2
285.03662	0.2
299.05569	3.1
300.06061	0.4
312.06302	0.2
333.09869	0.4
351.10986	0.2
377.14001	0.3
576.99823	0.2
683.18549	1.1
684.20477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
65.00301	2.1
69.15845	8.3
71.01368	2.1
71.10882	0.8
72.99284	1.1
78.00912	0.9
83.00488	1.0
85.02911	3.5
87.00861	4.5
93.03408	1.6
96.95978	1.7
98.19930	2.2
100.94518	1.0
101.02406	3.1
110.00025	1.4
111.00845	0.9
113.02406	1.4
119.05009	1.1
121.02930	1.8
125.02417	5.2
135.04413	1.2
136.98769	2.5
137.02390	2.2
139.00308	2.7
145.02948	1.8
145.99220	0.9
147.04477	0.9
159.04436	1.8
161.02374	1.0
161.04637	0.9
161.05934	0.9
163.03987	2.1
164.98212	3.6
165.99045	4.6
166.99702	2.3
167.04996	9.5
169.02960	11.4
171.04445	1.6
173.04498	1.4
173.05904	0.9
175.03886	1.3
178.99811	2.1
179.03403	1.5
181.01346	3.7
183.04451	2.2
187.03865	1.3
191.01820	1.4
191.05537	2.3
192.00537	0.9
195.04501	5.4
199.03908	1.8
206.99216	1.9
207.99915	1.0
209.02928	2.4
211.03934	4.4
213.05501	1.2
225.05429	1.4
227.03212	1.0
229.05049	1.2
231.19191	1.0
239.03470	24.5
239.05583	2.3
240.03787	2.6
241.04788	1.0
247.10634	0.9
251.03358	1.2
253.04955	2.3
255.02875	3.8
256.03555	1.3
257.04401	1.9
267.02951	21.0
268.03336	2.5
269.04538	4.5
270.05014	1.0
271.05807	1.1
273.68167	1.0
279.02765	1.2
281.04352	1.6
283.02368	2.4
283.05872	1.3
284.03174	1.7
284.06625	1.8
285.03857	1.7
296.03098	1.7
297.04086	4.7
297.06921	1.0
298.04538	2.5
299.01746	3.0
299.09100	2.6
301.03528	4.7
311.01947	100.0
312.02600	14.1
312.06113	2.0
313.03522	12.9
313.06909	1.8
314.03897	2.6
323.05344	1.1
325.03580	6.5
325.06964	1.7
326.03955	3.6
326.07758	2.4
327.01608	8.0
327.04980	2.6
327.08508	4.0
328.01874	3.4
329.02933	13.9
330.03418	2.3
331.04443	1.2
341.02774	1.5
343.04724	1.1
343.11877	1.0
353.10190	1.9
355.00916	9.0
355.07806	1.3
369.09567	2.4
371.03912	6.0
389.05124	10.1
390.05579	1.0
405.15469	1.5
513.39215	1.1
551.17419	1.8
621.14514	7.5
622.14355	1.6
623.13721	1.7
637.14056	1.2
639.15607	12.8
640.15521	2.5
665.13501	73.4
666.13702	13.7
683.14508	82.2
684.14825	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	681.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03420	1.0
59.01108	1.1
59.01379	12.6
67.01899	1.4
69.03452	1.7
71.01377	6.1
71.54732	1.2
71.89044	0.9
73.02937	2.0
75.00855	2.6
78.95899	1.6
79.39907	0.8
83.01394	1.2
85.02951	4.5
87.00874	100.0
88.01203	1.0
88.98793	2.5
89.02425	2.1
91.85046	0.8
93.03448	3.1
95.01363	2.0
97.02943	0.9
99.00897	1.9
101.02453	3.6
109.02928	2.2
111.00865	1.5
112.98788	1.9
113.02438	3.3
115.05608	0.7
117.03452	1.1
119.03448	1.3
119.04974	2.6
121.02934	2.5
122.03711	1.5
123.04517	3.2
125.02390	0.9
129.01872	1.0
129.03456	0.9
130.99852	11.0
133.02966	1.0
135.02959	0.9
135.04507	1.9
137.02411	2.2
139.00354	3.0
140.01137	1.6
145.02943	5.6
146.03763	6.1
147.04518	8.9
148.05209	1.5
149.06023	4.2
152.01160	11.6
159.04482	3.5
161.02441	1.9
161.06053	1.2
162.03172	0.9
163.03955	2.9
163.07562	1.0
164.04774	1.4
165.04005	4.3
165.05550	2.3
172.05327	1.0
173.04498	4.1
173.06047	3.8
174.03264	1.1
175.03972	2.4
175.07635	1.5
177.01906	1.2
185.05986	1.1
187.04002	2.3
187.07619	2.0
188.04689	2.3
189.01907	2.5
189.05545	2.6
190.02664	2.8
191.03424	2.0
191.05577	1.7
193.05070	2.0
199.03992	0.9
199.07568	1.3
200.04756	1.4
201.05536	2.1
201.09267	1.1
203.06926	1.5
204.04175	0.8
205.04968	1.3
209.18987	2.0
211.07629	0.8
213.05544	1.1
213.09209	1.1
215.06952	1.8
216.07852	0.9
217.08626	1.3
223.07608	1.1
225.05473	1.1
225.09056	1.6
227.07132	1.5
233.00896	0.8
233.04393	1.7
234.01765	1.8
235.02425	1.7
239.07190	1.9
241.08670	1.9
243.10211	1.1
247.07664	1.1
249.05487	1.2
251.07170	1.1
253.04971	1.4
253.08673	1.6
253.18079	4.4
263.07126	2.3
264.08038	1.1
265.05026	1.9
265.08600	1.1
266.05606	1.2
267.06662	4.1
268.07355	1.3
269.04474	1.6
271.19156	14.5
275.07074	2.2
275.10547	1.1
276.07813	1.6
277.05225	1.5
277.08636	2.0
278.05832	2.0
279.06564	6.7
279.09857	1.4
280.07193	1.5
281.08127	3.2
282.08850	1.0
284.03317	2.0
287.07169	0.9
288.07782	1.4
289.08664	2.9
290.05853	1.2
291.06592	7.0
291.09955	1.8
292.07401	8.5
293.08173	8.7
294.08902	2.2
295.09644	3.1
296.10547	1.5
297.11499	1.3
299.05511	1.4
300.02625	1.4
301.08496	0.9
302.05713	1.9
302.09302	1.3
303.06503	2.9
303.10193	3.5
304.07312	2.0
305.08139	8.0
305.11792	2.0
306.05655	0.9
306.08856	4.9
307.06082	2.2
307.09720	11.2
308.10379	2.8
309.07687	2.0
310.08340	1.4
311.05533	1.2
315.10123	0.8
316.07324	1.5
317.04843	1.2
317.08148	5.9
317.11902	2.7
318.05408	1.2
318.08716	3.6
319.06018	2.2
319.09662	4.2
319.13126	1.5
320.06796	3.3
320.10449	2.7
321.07565	3.6
321.11243	16.4
322.08691	1.5
322.11771	1.6
323.09216	2.4
323.12808	3.0
329.07990	1.0
331.06287	1.2
331.09686	4.6
331.13162	1.2
332.06851	2.4
332.10477	1.4
333.07843	4.4
333.10965	4.4
334.08353	2.7
335.09164	11.8
335.12897	9.6
336.09854	2.5
336.13614	1.9
337.10684	2.5
338.07657	1.2
338.11517	1.6
339.12366	5.2
343.09796	1.9
345.07483	1.3
345.11148	3.1
346.08344	1.1
346.11960	2.0
347.09094	4.4
347.12939	5.2
348.09744	1.6
349.10864	7.8
350.11105	1.7
351.11777	3.3
359.09171	1.8
361.07010	1.1
361.10748	7.7
361.14334	1.4
362.11530	4.2
363.08691	0.8
363.12357	11.3
364.09302	1.1
364.13141	11.5
365.13919	8.2
366.14346	1.2
370.10831	0.9
373.10855	2.0
375.08368	1.5
375.12292	2.5
377.10266	2.2
379.07968	2.7
379.11926	2.7
379.15887	1.5
381.06070	0.9
387.12564	1.1
388.12857	1.1
389.10156	2.6
389.13916	2.6
390.10751	1.2
391.11801	1.6
393.09528	1.1
394.10376	1.0
396.12180	5.6
405.13910	1.6
406.10431	1.5
407.15097	2.3
408.11597	6.3
408.16736	1.2
409.12772	1.5
415.12009	1.8
416.12430	1.1
417.10132	0.9
419.11798	1.0
421.09210	1.6
433.08856	1.8
433.13916	1.0
434.09830	18.5
435.10278	4.0
440.10956	2.2
446.15775	2.5
449.08832	1.0
452.10953	1.8
459.10776	1.6
460.11557	2.3
466.09039	8.5
467.09241	2.3
471.09543	0.9
475.25397	2.7
477.11813	1.3
478.12576	2.6
487.04871	0.9
495.12848	1.0
496.13797	2.0
497.10703	1.5
504.10229	1.9
511.08435	5.1
512.09113	1.0
521.11029	1.3
522.11536	1.1
539.12152	3.9
540.12665	9.5
541.13208	1.8
548.10022	1.0
565.09729	3.2
566.10541	4.9
575.18994	1.2
584.11621	2.8
586.11865	0.9
593.20526	2.6
601.16711	1.2
619.18073	1.9
621.38116	1.5
637.19196	15.9
638.20197	3.0
645.16150	4.3
646.16907	1.4
663.17139	59.6
664.17523	9.8
681.18170	26.0
681.28021	1.8
681.37036	3.5
682.18317	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	681.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93020	0.5
51.77328	0.5
57.03446	0.8
59.01381	4.8
67.55635	0.7
69.34517	3.4
69.34922	1.1
71.01373	7.0
72.99286	0.6
73.02944	1.7
75.00868	1.3
81.31975	0.5
83.01374	1.3
85.02942	5.4
87.00868	3.6
89.02454	1.1
93.03467	1.4
93.50329	0.6
95.01386	1.1
96.95997	1.3
99.00867	1.7
101.02444	4.8
109.02910	0.8
111.04466	0.7
113.02451	2.8
117.03431	0.6
119.05008	1.5
121.02911	0.6
124.01631	1.0
125.02404	1.5
133.02948	0.7
135.04544	0.9
137.02455	0.9
138.03203	1.1
141.59114	0.6
145.02953	1.0
146.03769	0.9
147.04483	1.4
149.02454	0.9
149.06100	0.9
151.00336	0.6
153.01932	0.8
153.05568	0.6
159.04491	0.9
161.02409	3.5
161.04509	1.4
162.03171	1.3
163.03989	2.1
164.04793	0.8
165.99016	1.2
173.02455	1.7
173.04564	2.4
173.05968	0.7
174.03105	0.8
175.03990	2.4
176.04761	0.6
177.01915	1.0
187.03925	1.0
188.04836	1.1
189.01973	0.8
189.05513	2.0
190.02737	1.3
191.05629	2.4
193.05055	0.8
203.03519	1.6
203.07262	0.6
205.05190	1.4
206.08272	0.7
211.22871	0.6
215.03508	1.7
222.79378	0.6
223.08167	1.1
227.07123	0.8
240.04347	1.7
241.05051	1.0
250.02733	0.9
251.03453	1.8
252.04260	1.1
253.05009	1.1
254.05760	0.8
256.03522	0.6
265.05038	1.5
267.03046	1.0
267.06671	1.2
268.03818	3.9
269.04465	3.7
270.05307	1.6
271.05997	1.3
277.05069	1.7
278.02377	0.9
279.02948	4.3
280.03705	1.4
281.04486	1.9
282.05032	1.0
283.06223	3.7
284.06833	0.8
285.07605	1.3
293.04517	1.9
295.02704	0.8
295.06125	2.2
296.03232	12.5
296.06403	0.6
297.03891	3.8
298.08444	1.2
299.09421	1.1
300.02731	0.9
310.08398	0.9
311.05563	22.0
311.09122	1.3
312.06281	5.3
313.06812	1.1
315.05008	1.5
321.04065	1.1
323.05557	1.6
325.07016	2.7
326.07938	32.6
327.08582	8.4
328.09363	1.7
339.05057	5.8
341.10251	2.6
342.15533	0.6
343.04575	1.1
343.11691	2.8
353.06387	0.8
354.07449	13.0
355.07803	1.9
369.09766	100.0
370.10034	10.7
383.74228	0.6
397.08859	0.7
397.46661	0.6
489.14270	0.8
579.13501	2.1
593.18695	41.0
594.19135	6.2
609.14197	0.6
637.17773	2.1
638.16620	1.0
664.15210	0.9
681.17035	3.2
682.18481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54264	1.4
57.03428	2.6
58.69884	1.0
59.01383	8.6
61.98815	2.3
69.60496	6.7
71.01379	9.9
71.58684	1.0
72.99284	1.2
73.02937	4.8
75.00860	1.7
83.01348	1.8
84.93830	1.0
85.02956	8.6
87.00861	3.5
89.02450	1.7
93.03443	5.2
95.01386	1.5
96.95980	2.8
99.00876	2.3
101.02439	6.0
107.51694	1.0
109.02912	1.5
113.02425	4.6
119.05033	8.1
121.02908	4.3
123.00842	3.3
124.01680	1.6
125.02465	2.5
131.21065	1.1
135.04539	1.7
137.02385	4.7
138.03212	3.6
145.02910	3.6
147.04491	5.1
149.02443	2.0
149.06082	1.6
153.05490	2.0
159.04507	11.2
161.02406	4.1
161.04538	1.4
161.06047	2.2
163.03975	4.3
171.04419	1.6
173.02467	6.3
173.04514	4.8
173.06052	11.2
174.03198	1.9
175.04051	1.2
184.21234	1.2
186.03255	1.7
187.04001	6.8
188.04533	1.6
188.07132	6.6
190.02762	1.5
191.05568	5.2
193.01515	1.1
193.05093	2.6
199.04039	5.3
203.03516	2.9
205.05063	1.6
216.06691	1.7
217.01379	5.8
217.04977	2.5
223.07643	2.5
229.01439	1.6
239.07071	3.3
248.04796	2.0
249.05511	10.9
250.06215	3.2
251.07138	6.2
252.07515	1.4
253.04909	2.2
260.05527	2.6
261.05377	1.8
262.06509	1.4
264.04077	1.3
265.04932	2.6
267.06708	9.0
269.07947	1.4
277.05048	36.5
278.05588	8.0
279.03506	1.8
279.06467	8.8
280.03775	1.6
280.06873	1.9
281.04483	3.2
292.08063	2.5
293.04456	4.5
293.07663	1.3
294.05286	6.6
295.06091	19.3
296.06693	4.9
297.04193	2.3
297.07623	4.3
303.02722	1.4
305.04559	16.7
306.05087	4.3
307.05994	5.3
309.07541	1.7
310.08353	5.4
311.09006	3.5
312.09885	2.9
319.06143	1.8
320.06793	1.8
321.03799	3.5
321.07492	2.6
322.04733	17.7
322.08365	3.2
323.05569	40.8
323.09341	2.3
324.05801	1.8
325.10767	6.8
327.12360	3.6
327.47763	1.4
337.07135	33.9
338.07898	47.0
339.08218	5.1
351.08792	6.0
353.10263	100.0
354.10605	9.6
367.04111	1.8
379.08353	1.6
382.06995	2.0
397.09250	21.9
398.09320	2.4
423.07358	8.1
446.77988	1.2
591.12012	2.1
591.20837	22.9
591.29407	1.1
592.21277	3.4
617.18732	3.2
635.19849	42.8
636.19965	5.8
661.17780	16.1
662.18030	2.5
679.18719	86.7
680.19031	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	679.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11452	0.2
59.01377	2.8
60.79375	0.3
61.13672	0.2
61.98801	0.8
70.91345	0.4
73.02905	0.6
75.00844	0.6
75.47493	0.2
81.86411	0.2
85.02944	1.2
87.00843	1.0
89.02409	0.8
93.03423	0.6
96.96014	0.5
98.45284	0.2
99.04455	0.2
101.02414	0.8
108.02174	0.3
113.02416	1.1
119.05022	0.3
125.02457	0.2
131.03496	0.4
132.02112	0.5
133.02901	0.5
135.04550	0.3
142.19798	0.3
147.04541	0.6
149.06085	0.5
152.01088	0.5
155.03516	0.2
157.42351	0.2
159.04544	0.3
161.02396	0.2
163.00348	0.7
164.09790	0.2
165.04024	0.4
165.05508	0.2
173.04514	0.7
183.04460	0.4
184.05272	0.5
187.03922	0.2
190.99849	2.1
191.05621	0.4
193.05116	0.3
199.04008	0.6
200.04790	1.7
205.05013	0.5
209.02893	0.3
211.04022	1.2
212.04678	0.4
227.03419	2.4
228.04251	2.5
237.06070	0.3
239.01262	0.3
239.03468	1.4
240.04265	7.9
241.04581	0.4
249.06029	0.3
255.02937	3.0
256.03705	1.3
257.04419	0.2
267.02939	0.4
267.07111	0.8
283.02420	4.5
284.03235	84.5
285.03586	6.1
297.12256	0.3
298.04684	0.4
299.05579	100.0
300.05927	8.5
338.08078	0.2
392.99750	0.3
397.09326	0.5
483.43146	0.3
499.17926	0.3
517.19354	0.9
547.24969	0.3
566.84430	0.3
575.13989	0.3
678.54559	0.2
679.25000	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	678.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31972	0.4
59.01379	6.0
61.98828	91.7
69.49797	1.0
69.50202	1.9
70.99624	0.4
71.01391	2.1
73.02962	0.6
83.01433	0.6
85.02950	1.7
87.00872	3.0
89.02423	0.7
93.03441	0.5
96.96020	0.7
99.00915	0.4
101.02448	1.0
110.80434	0.4
125.02520	0.5
125.34732	0.4
129.01970	0.5
130.99818	0.4
135.04549	0.5
137.02425	0.6
147.04529	1.0
165.04022	0.5
171.10245	1.9
173.04527	1.0
189.02040	0.4
191.01907	0.6
191.05669	0.4
209.11819	1.6
212.04906	0.5
237.05576	1.3
253.05081	0.9
269.04559	0.6
284.03253	1.5
297.04037	14.9
298.04489	0.9
299.05499	0.6
309.04019	36.3
310.04462	2.5
314.04416	0.4
323.05530	1.3
335.09195	1.9
337.07150	1.4
351.08771	0.7
352.05359	0.8
352.09518	14.9
353.09714	1.5
367.11819	100.0
368.12207	9.5
409.12827	1.5
450.12415	0.5
489.80405	0.5
601.96851	0.5
678.39124	0.6
681.45471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03432	1.4
58.00579	1.3
59.01376	35.5
61.98817	1.3
64.13104	0.6
66.90971	0.5
69.03457	2.3
70.46609	0.5
70.46960	1.6
71.01377	34.8
72.01720	0.6
72.99289	2.1
73.02948	4.4
75.00883	0.7
78.37930	0.5
78.95885	1.0
81.03445	1.2
83.01366	4.5
85.02465	0.6
85.02949	7.3
87.00875	10.1
89.02440	29.6
95.01376	2.5
97.02940	6.2
99.00861	1.9
101.02437	28.9
102.02747	0.5
111.00890	0.7
111.04539	0.7
113.02443	14.5
115.04047	0.5
119.03503	8.2
123.04505	0.6
125.02448	11.7
131.03491	0.8
133.05008	1.0
139.04045	0.6
143.03499	5.3
148.74718	0.5
149.04498	1.5
152.94299	0.6
161.04547	7.5
167.03435	0.9
179.05624	6.6
183.38023	0.5
185.04568	0.7
199.00836	0.5
199.06024	1.2
200.16260	0.5
217.07187	1.0
219.83780	0.5
221.06641	2.8
235.08208	13.4
245.06599	1.1
253.09323	3.1
261.22165	0.6
263.07718	1.4
277.09305	0.6
277.21777	1.1
279.23257	100.0
280.23566	7.9
287.07654	2.9
305.08823	4.7
323.09732	2.3
379.12155	1.2
397.13458	89.5
398.13791	6.8
415.14542	36.9
416.14734	2.5
677.38654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
60.23532	0.7
60.72248	0.7
61.98827	100.0
68.99813	0.7
71.01392	3.5
71.54254	0.9
73.02966	1.5
85.02952	3.3
87.00868	3.8
87.83404	0.6
89.02461	0.8
96.96004	0.6
99.00912	0.8
101.02476	1.3
108.14334	0.6
113.02465	1.1
137.02472	1.0
145.02863	0.9
147.04491	1.7
153.00517	0.7
161.04523	0.8
162.61984	0.7
165.04155	0.9
166.34407	0.7
173.04439	0.8
178.79865	0.7
209.11928	1.3
210.11938	0.7
284.03302	1.1
295.09793	1.1
296.03302	1.6
297.04065	1.6
299.05481	0.7
308.03412	1.7
308.10745	1.2
309.04123	2.5
311.05692	1.0
323.05716	3.1
323.09125	1.1
336.10291	0.7
351.08823	2.1
352.09482	35.8
353.09839	3.4
365.10199	1.2
366.11066	2.3
367.11816	53.8
368.12143	5.0
389.14276	1.0
409.12836	16.3
410.13113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73331	2.7
59.01376	20.2
61.98832	20.5
70.19608	5.3
71.26996	3.3
71.29958	2.9
78.95921	4.6
85.02956	3.2
87.00863	25.3
95.17505	3.3
98.20013	3.8
100.50365	3.2
112.57948	3.0
152.99554	3.6
165.05640	4.9
253.03470	12.7
293.21118	5.7
481.15213	10.0
540.16711	4.3
555.18756	23.6
572.15448	7.1
641.22424	30.3
642.22888	4.4
677.19983	100.0
678.20630	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03444	1.4
58.00592	2.0
59.01376	45.6
60.01700	0.2
61.98822	0.9
68.99816	0.8
69.03453	2.3
71.01376	41.4
71.38032	0.4
72.01730	0.6
72.99303	3.1
73.02940	6.5
74.03274	0.2
75.00876	0.9
76.48038	0.2
78.95911	0.7
81.03457	2.1
83.01382	5.1
83.05018	0.5
85.02946	9.0
86.00077	0.4
86.03282	0.3
87.00870	9.9
87.09450	0.2
89.02438	38.0
90.02776	0.4
91.03989	0.7
93.03455	0.7
95.01380	3.1
95.04958	0.2
97.02940	7.5
99.00881	2.6
99.04552	0.5
101.02437	35.1
102.02792	0.6
103.04006	0.6
109.02947	0.7
111.00877	0.7
111.04497	1.5
113.02441	16.0
114.02799	0.5
115.04012	1.3
119.03494	11.3
120.03870	0.2
121.02940	0.8
123.00887	0.6
123.04533	0.4
124.01660	0.4
125.02438	15.6
126.02798	0.3
127.03984	0.6
127.07627	0.4
129.01999	0.3
130.06261	0.3
131.03482	2.1
133.05042	1.2
134.56274	0.2
137.02429	0.4
139.04001	1.2
141.01955	0.7
141.05531	0.2
143.03490	7.3
149.04532	1.2
152.99585	0.5
157.05040	0.5
159.03023	0.3
161.04541	8.0
162.04825	0.2
167.03441	0.8
169.05040	0.8
171.03067	0.4
179.05602	7.7
181.05019	0.4
184.32788	0.3
185.04556	1.0
199.06096	0.6
203.05608	0.6
203.67165	0.2
216.08922	0.2
217.07114	1.1
218.07422	0.2
219.05011	0.4
221.06615	3.1
227.05594	0.3
233.22716	0.5
235.08194	17.2
236.08548	0.7
245.06647	1.0
253.06705	0.3
253.09245	4.4
263.07706	1.8
275.20276	0.3
277.09558	1.2
277.21689	100.0
278.22046	10.0
278.24649	0.2
278.25229	0.3
287.07669	4.5
291.23334	0.4
305.08731	4.4
306.09128	0.3
323.09692	2.1
361.11282	0.5
379.12488	1.5
397.13467	97.3
398.13806	7.9
402.33859	0.2
415.14536	38.9
416.14865	2.9
593.26825	0.5
675.35181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11018	0.4
57.03439	1.1
58.09330	0.4
59.01159	0.4
59.01377	4.3
60.99277	0.7
61.98843	2.0
65.98800	0.4
66.97398	0.4
67.01884	4.5
69.03454	1.7
71.01382	6.0
72.99301	0.5
73.02939	1.0
81.03448	1.5
83.01389	0.7
83.05023	0.8
85.02939	2.6
87.00871	2.8
88.32709	0.4
89.02449	0.7
92.86964	0.4
93.03458	33.6
94.03794	0.6
96.95988	0.7
98.19908	1.4
99.00883	1.0
99.04514	0.6
101.02437	0.5
108.02176	0.4
109.02953	1.5
111.00884	1.4
111.04520	6.5
113.02470	1.3
116.92870	1.5
117.03442	1.1
119.05022	27.7
120.05354	1.1
121.02930	1.4
123.04538	0.9
125.02452	0.8
127.03999	0.9
132.02165	1.3
133.02917	0.6
134.03728	4.9
135.04514	0.6
137.02434	5.7
145.02939	5.4
145.58199	0.4
146.03224	0.4
147.04530	0.6
149.04672	0.6
149.06071	2.6
151.00261	0.4
155.03479	4.7
160.01649	7.6
161.02417	2.4
163.04002	23.9
164.04314	0.8
165.04024	0.8
165.05446	0.5
173.04535	100.0
174.04884	3.6
175.02542	0.8
175.03999	10.3
176.04338	0.5
177.05528	0.8
178.02736	2.4
179.03502	0.6
183.58513	0.5
187.03944	0.5
191.01987	0.4
191.05548	2.0
193.05038	9.6
194.05426	0.8
217.08698	0.5
237.04031	1.1
255.02950	1.4
255.05322	0.7
277.11963	1.0
283.02353	0.9
284.03217	2.8
285.03833	1.0
300.02673	0.6
301.11725	0.6
307.08148	2.0
323.07742	0.7
337.09274	7.0
344.14252	0.5
469.20935	0.6
501.13989	34.9
502.14148	5.2
533.13556	0.5
639.22668	0.7
657.22656	0.7
675.18292	7.4
676.19763	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	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.63273	0.2
56.99842	0.2
57.03442	1.1
57.32080	0.2
58.00592	2.3
59.01377	48.1
60.01715	0.4
61.98834	0.3
62.98296	0.2
67.01908	0.3
68.99821	0.5
69.03454	2.5
71.01377	40.0
72.01709	0.6
72.99305	3.1
73.02943	7.3
75.00880	1.0
79.01913	0.2
81.03456	1.7
83.01384	4.3
83.05030	0.6
85.02943	8.1
86.00120	0.4
87.00871	9.4
87.04523	0.2
89.02440	35.6
90.02792	0.5
91.04015	0.8
93.03455	0.5
95.01391	2.8
95.05035	0.4
97.02942	6.5
98.03288	0.2
98.19884	0.6
99.00874	2.7
99.04523	0.3
101.02436	35.0
102.02791	0.5
103.04033	0.5
107.05101	0.2
109.02969	0.6
111.00899	0.5
111.04513	1.3
112.01683	0.3
113.02444	16.7
114.02760	0.4
115.04012	0.6
119.03496	10.9
121.02940	0.8
123.00908	0.5
123.04484	0.3
124.01660	0.3
125.02441	14.9
126.02773	0.3
127.04028	0.6
127.07654	0.3
129.02022	0.3
131.03477	1.8
133.05118	0.9
137.02393	0.2
139.04013	1.0
141.01958	0.8
143.03487	6.6
149.02513	0.3
149.04552	1.4
151.03975	0.3
155.03485	0.3
157.05099	0.2
161.04549	8.4
167.03481	0.9
169.05038	0.7
171.03000	0.4
179.05594	6.8
180.05830	0.2
181.05067	0.3
185.04529	0.7
199.06081	0.6
203.05548	0.2
217.07120	1.4
219.05096	0.5
221.06630	3.3
227.05576	0.2
233.22714	0.4
235.08205	16.4
236.08571	0.8
245.06601	1.2
250.22681	0.2
253.09236	4.2
259.20645	0.6
263.07687	1.5
275.20248	0.4
277.09628	1.3
277.21692	100.0
278.22031	9.1
287.07690	4.0
291.23242	0.3
305.08743	4.8
306.08820	0.3
323.09845	2.1
361.11526	0.6
379.12527	1.5
397.13461	95.1
398.13809	7.3
415.14526	39.9
416.14822	3.0
675.35205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28331	0.1
53.11360	0.2
55.01874	0.3
57.03437	0.3
58.52303	0.1
59.01378	3.7
59.74249	0.1
61.98812	0.5
66.50199	0.1
69.03450	0.2
71.01378	3.7
71.05004	0.4
72.99303	0.2
73.02943	0.9
78.95909	0.2
80.02674	1.0
80.72848	0.1
81.03458	0.8
83.01377	0.4
83.05019	3.6
84.02158	0.8
85.02506	0.1
85.02948	0.9
87.00881	1.1
87.04508	0.2
89.02441	3.5
93.03461	0.5
95.01373	0.3
95.05030	0.4
96.96021	0.2
98.19855	0.4
99.00890	0.2
101.02435	1.7
103.03980	0.1
106.01496	0.2
109.06583	0.4
113.02442	1.2
119.03491	0.6
121.02953	0.3
123.08136	0.2
125.02367	0.2
125.06087	0.6
125.09728	0.3
131.03499	0.8
134.03731	0.2
135.08125	0.5
136.97636	0.1
137.02394	0.2
143.03563	0.2
145.02992	0.2
145.05008	0.2
147.04506	0.4
147.11823	0.2
149.04547	8.1
149.09689	0.2
150.04854	0.2
161.02402	0.2
161.04596	0.8
163.11281	3.3
164.11476	0.2
165.04164	0.2
165.12839	2.0
171.10233	1.7
173.04547	0.3
179.05594	0.3
181.12350	0.5
191.10788	0.9
199.13390	0.4
209.11809	100.0
210.12154	5.8
211.13333	0.2
221.08220	0.2
227.12869	15.3
228.13110	0.7
229.63712	0.2
235.08228	1.4
247.13364	0.9
253.09276	5.9
254.09645	0.3
265.14404	0.4
284.03357	0.2
297.14658	0.2
302.29880	0.2
315.05078	0.2
381.11880	0.5
401.23251	0.3
419.24295	0.2
423.12808	0.3
445.20676	1.1
446.21680	0.2
463.21606	0.4
629.38934	0.4
637.31665	0.7
638.32513	0.2
655.32764	0.4
673.34619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11018	0.4
57.03439	1.1
58.09330	0.4
59.01159	0.4
59.01377	4.3
60.99277	0.7
61.98843	2.0
65.98800	0.4
66.97398	0.4
67.01884	4.5
69.03454	1.7
71.01382	6.0
72.99301	0.5
73.02939	1.0
81.03448	1.5
83.01389	0.7
83.05023	0.8
85.02939	2.6
87.00871	2.8
88.32709	0.4
89.02449	0.7
92.86964	0.4
93.03458	33.6
94.03794	0.6
96.95988	0.7
98.19908	1.4
99.00883	1.0
99.04514	0.6
101.02437	0.5
108.02176	0.4
109.02953	1.5
111.00884	1.4
111.04520	6.5
113.02470	1.3
116.92870	1.5
117.03442	1.1
119.05022	27.7
120.05354	1.1
121.02930	1.4
123.04538	0.9
125.02452	0.8
127.03999	0.9
132.02165	1.3
133.02917	0.6
134.03728	4.9
135.04514	0.6
137.02434	5.7
145.02939	5.4
145.58199	0.4
146.03224	0.4
147.04530	0.6
149.04672	0.6
149.06071	2.6
151.00261	0.4
155.03479	4.7
160.01649	7.6
161.02417	2.4
163.04002	23.9
164.04314	0.8
165.04024	0.8
165.05446	0.5
173.04535	100.0
174.04884	3.6
175.02542	0.8
175.03999	10.3
176.04338	0.5
177.05528	0.8
178.02736	2.4
179.03502	0.6
183.58513	0.5
187.03944	0.5
191.01987	0.4
191.05548	2.0
193.05038	9.6
194.05426	0.8
217.08698	0.5
237.04031	1.1
255.02950	1.4
255.05322	0.7
277.11963	1.0
283.02353	0.9
284.03217	2.8
285.03833	1.0
300.02673	0.6
301.11725	0.6
307.08148	2.0
323.07742	0.7
337.09274	7.0
344.14252	0.5
469.20935	0.6
501.13989	34.9
502.14148	5.2
533.13556	0.5
639.22668	0.7
657.22656	0.7
675.18292	7.4
676.19763	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	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50725	0.2
56.95855	0.2
59.01360	0.2
60.09462	0.2
61.98829	100.0
69.36343	1.3
69.36740	0.3
78.95923	0.5
87.00885	0.2
93.03427	0.2
93.63239	0.2
108.39141	0.2
141.59248	0.2
158.78847	0.2
161.68697	0.2
209.03226	0.2
243.03050	0.2
255.02963	0.5
271.02490	1.0
284.03326	0.4
285.03906	0.3
300.02792	2.7
301.03317	0.3
315.05115	2.4
316.05368	0.4
369.60641	0.2
373.05621	0.2
457.50198	0.2
458.38483	0.2
609.14545	2.3
610.15076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05411	0.1
55.01880	0.2
57.03449	0.3
58.00596	0.2
59.01377	2.7
60.55537	0.1
61.98841	0.4
69.03483	0.2
71.01376	1.9
71.05028	0.2
71.54733	0.1
72.99303	0.2
73.02934	0.6
75.00864	0.1
80.02659	0.9
81.03455	1.1
82.03831	0.1
82.59597	0.1
83.01398	0.4
83.05025	4.1
84.02164	0.7
84.05348	0.1
85.02937	0.8
85.03372	0.1
87.00869	0.7
89.02444	1.5
93.03477	0.4
95.01392	0.2
95.05008	0.6
96.95968	0.1
97.03005	0.2
97.06596	0.3
99.00877	0.1
101.02442	1.9
107.05033	0.1
107.93292	0.1
109.06616	0.4
111.08195	0.2
113.02437	0.9
119.03506	0.3
121.02970	0.1
122.03776	0.1
123.08134	0.1
125.02467	0.2
125.06104	0.4
125.09744	0.3
126.99619	0.1
129.01952	0.1
131.03566	0.1
135.08145	0.6
137.02388	0.1
143.03482	0.2
145.05046	0.2
147.04543	0.1
147.11751	0.2
149.04555	0.4
149.06078	0.1
149.09627	0.1
155.03510	0.1
161.02493	0.1
161.04558	0.6
163.11285	3.1
164.11569	0.3
165.12831	2.2
165.99106	0.1
167.51770	0.1
171.10263	1.7
173.04573	0.2
179.05580	0.2
181.12344	0.7
191.10800	0.8
199.13322	0.4
209.11812	100.0
210.12141	6.1
211.13373	0.2
221.11795	0.3
223.13394	0.1
227.12866	13.8
228.13211	0.9
235.08217	1.7
247.13416	0.9
253.09276	6.0
254.09525	0.3
261.89957	0.1
265.14395	0.3
284.03207	0.3
299.05597	0.3
401.23148	0.2
407.19144	0.1
416.01498	0.2
419.24527	0.2
437.24854	0.1
445.20810	1.0
463.21786	0.3
491.05753	0.1
499.28955	0.3
517.04022	0.1
527.36426	0.1
611.30115	0.2
619.30707	0.1
637.32501	0.7
638.32123	0.2
655.23682	0.1
655.33093	0.3
673.35059	0.8
674.34326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09446	0.4
57.03455	1.0
59.01377	8.6
61.98824	4.7
69.56228	2.8
71.01376	5.8
73.02942	1.5
82.21997	0.4
83.01389	0.9
84.44678	0.4
84.95117	1.0
85.02956	1.4
86.46983	0.5
87.00877	1.8
89.02417	2.3
97.02943	0.5
97.06578	0.7
98.27608	0.4
101.02464	3.8
102.33303	0.4
111.08173	1.9
113.02456	2.2
119.03508	0.7
143.03488	0.6
145.05040	0.5
161.04547	1.3
163.11292	0.7
165.11420	0.6
165.12837	13.4
166.11798	0.5
166.13179	0.7
181.12395	0.4
183.13893	100.0
184.14232	5.6
209.11813	5.9
211.13400	1.6
227.12881	6.3
228.13103	0.6
235.08194	1.4
253.09222	3.0
272.07065	0.5
301.16653	2.1
445.20706	1.6
463.21732	3.2
511.29050	4.1
629.35193	4.6
655.33612	3.8
657.90558	0.5
673.34320	70.8
674.34729	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	672.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
87.00877	0.1
91.12920	0.1
96.03417	0.1
117.85146	0.1
134.89642	0.2
139.50385	0.1
193.05089	0.1
220.10588	0.1
229.82494	0.1
235.61072	0.1
241.01556	0.1
271.02676	0.2
300.02759	1.2
301.03192	0.3
315.05057	2.0
315.08347	0.1
316.05560	0.4
475.23886	0.1
501.89804	0.1
527.51129	0.1
609.14923	0.3
678.39215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39436	0.5
55.01876	0.6
57.03453	0.9
58.00613	0.4
58.59095	0.5
59.01377	11.4
61.98840	1.0
63.08865	0.4
63.87609	0.4
64.22913	0.4
65.95647	0.5
69.03460	0.8
71.01370	7.2
73.02959	1.1
78.36728	0.4
80.02660	2.2
81.03448	3.5
83.01383	1.6
83.05019	9.7
83.37604	0.4
84.02165	1.3
85.02943	2.5
87.00865	3.3
89.02444	4.4
93.03426	2.1
95.05020	2.4
96.96061	0.5
97.02951	6.3
97.06575	0.9
99.00891	2.4
101.02434	5.3
107.05000	1.1
107.70096	0.5
109.06586	23.0
110.03721	1.2
110.06953	0.7
111.04547	1.0
113.02462	3.5
119.03519	1.0
120.47255	0.5
121.02930	0.4
121.06599	2.2
123.04520	0.7
123.08121	0.5
125.02451	0.7
125.06098	1.1
125.09713	3.0
135.08157	3.1
136.05283	1.4
142.02705	1.7
143.03467	1.0
145.05080	0.9
145.10204	0.7
147.04462	0.6
149.09645	0.6
150.06783	0.5
161.04536	2.5
161.09731	1.3
163.11279	19.7
164.11555	0.9
165.09113	0.8
165.12794	2.9
171.10263	3.9
173.04497	0.6
179.05565	0.9
179.10760	1.4
181.12331	4.2
185.11861	2.2
187.09706	0.9
189.09196	1.6
191.10756	1.8
199.13493	0.5
201.11183	0.4
207.10237	62.5
208.10541	3.8
209.11804	100.0
210.12160	6.5
217.12256	0.8
221.11760	1.2
223.13408	0.6
225.11301	29.5
226.11609	1.6
227.12857	14.5
227.15131	0.7
228.13203	1.0
231.10283	0.9
235.08180	3.5
243.12361	0.9
245.11797	0.9
247.13335	1.6
249.11217	1.5
253.09250	10.2
254.09502	0.7
263.12863	1.2
265.14346	1.0
298.01053	0.6
299.14810	1.4
313.03476	0.8
325.60663	0.5
328.06158	0.7
343.08026	1.0
355.22702	0.6
373.23849	0.8
389.22861	0.5
399.21695	5.6
400.22049	0.9
417.22678	5.6
418.22794	0.7
435.23627	0.8
443.19061	2.9
445.20441	1.2
449.32315	1.2
461.20245	9.3
462.20349	1.3
509.27249	0.7
625.33160	0.5
627.29913	0.7
635.30731	13.1
636.31732	2.5
652.79425	0.7
653.31714	16.2
654.31830	2.3
671.13434	1.2
671.32587	28.3
672.32721	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	671.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21373	0.3
55.01885	0.4
57.03444	0.6
59.01374	5.1
61.98822	0.8
65.03280	0.3
69.03459	0.5
71.02049	0.8
72.85184	0.3
73.02946	1.7
80.02689	0.3
81.03439	0.8
83.01385	0.3
83.05036	2.4
83.05459	0.4
85.02943	1.4
87.00867	1.2
89.02434	1.4
89.78540	0.4
93.03450	0.8
95.01348	0.4
95.05000	0.7
97.02939	1.5
97.06625	0.5
99.00875	0.5
101.02445	2.7
106.43175	0.3
107.05032	0.4
109.06587	6.4
111.08158	1.0
113.02460	1.8
121.06599	0.4
125.02415	0.6
125.06055	0.4
125.09685	0.7
133.02995	0.5
135.08145	1.4
142.02736	0.5
161.04546	0.8
161.09776	0.4
163.00363	0.6
163.11295	4.6
165.12846	10.8
166.13139	0.4
171.10233	0.8
179.05597	0.5
179.10751	0.5
181.12325	1.6
183.13895	5.5
184.05290	0.5
189.12814	0.3
190.99823	3.0
191.10686	0.5
197.11821	0.5
197.15486	0.4
199.04089	0.9
200.04800	1.7
203.14397	0.8
207.10249	17.9
207.13527	0.6
207.13876	0.8
208.10594	1.3
209.11809	29.4
210.03246	0.6
210.12120	1.7
211.03987	1.2
212.04773	0.4
219.13872	0.4
221.15450	0.9
223.13496	0.7
225.11320	8.6
227.03572	2.8
227.12869	17.1
228.04326	2.9
228.13159	1.4
231.13913	1.2
233.11792	1.2
235.08199	0.6
238.02704	0.3
239.03441	2.1
240.04266	9.3
241.04596	0.8
249.14992	2.3
251.12878	3.9
253.09270	2.2
255.02951	3.2
256.03638	1.7
263.12759	0.6
265.14447	2.6
267.03043	0.4
269.13898	3.1
275.12912	2.7
281.13870	0.7
283.02472	5.0
284.03235	100.0
285.03574	6.7
293.13925	20.7
293.17300	0.8
294.14297	1.3
299.05579	92.2
300.05954	7.5
311.14966	1.2
371.17059	8.9
372.17371	1.1
373.24051	0.4
399.21667	1.4
417.22824	1.7
443.19339	0.8
449.32513	0.3
461.10788	0.8
461.20358	3.0
462.20673	0.4
635.30670	4.1
636.30865	0.4
653.31738	4.2
654.32001	0.8
671.32568	9.8
672.32440	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	670.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16467	0.1
57.03420	0.2
59.01370	1.1
61.98827	100.0
69.51033	0.9
71.01390	0.6
75.00885	0.2
78.07343	0.1
83.01363	0.1
85.02948	0.7
87.00876	0.8
89.02462	0.5
91.05525	0.2
93.03471	0.4
95.66377	0.2
101.02479	0.4
108.02194	0.2
113.02491	0.2
119.05022	0.2
125.02483	0.2
126.50726	0.2
129.01952	0.2
129.03404	0.1
134.03766	0.2
137.02480	0.3
145.02893	0.1
146.03764	0.1
147.04517	1.1
149.04721	0.2
149.06087	0.6
163.03966	0.2
165.04056	0.2
169.83812	0.1
173.04555	0.4
173.92722	0.2
174.27464	0.2
191.03734	0.2
191.05682	0.8
193.05000	0.7
205.05145	0.2
209.03070	0.4
211.13243	0.2
276.39374	0.1
278.23715	0.1
284.03030	0.3
289.10754	0.2
299.05649	0.2
330.32523	0.2
330.65305	0.2
394.06638	0.2
397.13269	0.2
440.92932	0.2
464.17047	0.1
503.32312	0.3
534.68604	0.2
535.03113	0.2
546.06006	0.1
627.17542	0.3
669.36206	0.2
671.33765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01383	7.8
60.90600	1.0
61.98835	12.0
65.00304	1.3
67.52238	1.1
69.52811	1.1
71.01387	4.4
71.54046	1.3
72.99316	1.6
73.02943	6.8
81.03419	1.5
83.01384	1.9
85.02944	7.8
87.00874	90.9
88.98833	1.2
89.02449	1.9
93.03469	8.9
95.01344	1.2
95.05038	1.5
96.96019	3.6
99.00912	1.3
101.02458	10.5
108.02158	5.3
109.02963	3.7
110.00081	5.2
111.00879	1.8
112.98773	2.4
113.02486	2.1
119.05025	4.0
121.02955	24.8
122.03695	3.9
123.04525	100.0
124.04848	2.7
125.02435	4.5
130.99854	20.1
134.03735	1.1
135.04541	1.8
137.02434	2.7
137.99553	4.3
139.00351	8.4
140.01140	3.6
145.01427	5.5
147.04507	10.5
149.02480	5.4
149.06070	35.0
150.03204	9.6
150.06479	1.4
151.04004	1.5
152.01152	1.9
153.00705	2.5
153.01935	45.5
154.02718	7.4
155.03468	3.4
156.03767	1.0
161.02435	1.5
163.04048	7.9
164.04709	3.1
165.01909	1.2
165.04254	1.5
165.05562	37.9
166.05946	2.1
167.03494	2.7
168.04250	4.6
169.05104	1.5
173.02260	1.1
173.04530	3.7
174.03224	3.1
175.03987	38.8
176.04459	1.3
177.01939	4.6
181.05006	1.7
181.30054	1.1
191.01991	1.7
191.03511	3.8
191.05559	2.1
193.05046	28.7
194.05479	1.6
195.02975	25.4
195.06612	4.1
207.06586	1.3
211.06110	1.5
213.36888	1.1
217.01196	1.1
219.02992	19.6
220.03291	1.9
223.06137	2.0
227.09195	2.6
237.04030	60.2
238.04346	2.9
251.05469	1.4
253.03531	4.3
254.04294	13.3
255.05087	90.2
256.05389	5.0
269.06662	17.8
311.80676	1.1
359.09518	1.7
374.05981	1.5
375.14349	1.8
408.34238	1.3
423.09290	54.4
424.09738	5.8
427.88498	1.2
467.57297	1.2
585.14563	7.6
627.15540	47.0
628.15997	6.9
628.29376	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	671.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
57.03429	3.5
59.01097	1.1
59.01376	10.5
61.98819	3.2
69.03437	2.2
71.01375	5.6
71.23729	1.8
73.02932	2.5
73.93195	0.7
76.99925	0.7
82.15082	0.8
83.05017	2.2
84.02210	0.7
85.02963	4.9
87.00864	6.8
89.02437	2.1
93.03455	1.2
95.01347	1.0
95.05016	0.8
96.41988	0.7
96.95986	1.8
97.02963	1.3
97.06566	1.3
99.00871	1.5
101.02432	3.6
109.06624	1.8
109.89179	0.7
111.08183	4.5
113.02415	3.3
125.02430	1.1
128.03540	0.9
130.99840	2.6
132.02176	4.8
133.02924	0.8
134.03613	0.9
135.04558	1.1
137.02422	2.5
147.04497	2.5
148.05318	1.1
149.06122	0.8
151.07664	1.2
161.99506	1.1
163.00369	3.7
163.11255	2.1
165.05571	1.3
165.12836	32.4
166.13176	1.7
171.10320	1.0
179.07054	1.1
181.12328	2.5
183.13882	15.9
184.14200	1.2
189.09160	0.9
189.12732	1.0
190.99850	20.2
191.01694	1.3
192.04266	1.3
197.15323	0.9
198.43309	0.8
199.03920	1.3
200.04779	0.8
203.14391	1.0
207.10211	5.0
207.13890	2.3
209.11816	11.2
211.03935	3.2
219.13750	0.8
221.15451	2.4
223.13176	1.1
225.11317	5.2
225.14970	1.0
227.03467	5.6
227.12872	17.4
228.04156	1.8
231.13843	1.3
233.11807	2.8
235.08350	1.0
236.03285	1.0
239.03406	2.2
240.04265	8.2
249.14915	2.6
251.12828	5.4
253.09268	1.2
254.04305	1.2
255.02887	7.0
256.03741	1.9
263.12918	1.0
265.14435	3.7
267.02908	3.6
269.13867	3.8
275.12860	3.1
279.11066	0.8
283.02441	20.7
284.03238	85.3
285.03647	7.3
293.13937	24.7
294.14389	1.1
298.04761	1.6
299.05582	100.0
300.05887	6.4
311.14932	1.5
313.03433	2.2
371.17026	8.2
372.17310	1.2
373.12842	1.0
446.08554	13.8
447.08871	1.4
449.32422	0.9
461.10846	43.4
462.11047	4.6
465.87161	0.8
509.31088	3.3
599.56689	0.9
611.38287	1.1
627.25568	1.0
635.30914	2.2
652.29468	1.4
652.79102	2.9
653.31110	2.4
670.43658	1.7
670.77222	0.8
671.23370	42.9
671.34076	4.4
671.81537	1.1
672.23657	7.1
672.33881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03442	0.7
59.01373	15.4
61.98800	0.7
68.99837	0.8
69.03429	2.6
69.33044	1.9
69.33467	2.7
71.01009	0.9
71.01369	9.6
72.99301	1.1
73.02930	1.4
83.01373	2.1
85.02950	2.9
85.06570	6.4
87.00859	2.3
89.02432	8.6
93.03455	1.3
95.01356	0.8
96.95984	1.2
97.02955	6.5
101.02422	6.7
113.02457	4.2
113.06050	1.9
115.07648	1.3
119.03506	4.3
119.05027	1.6
121.02892	0.9
125.02433	76.6
126.02756	2.5
127.07621	0.8
128.03505	0.7
131.07127	33.5
132.07407	0.9
135.04575	0.9
146.04617	0.6
148.84767	0.7
155.03355	0.6
161.02420	1.2
163.03981	1.7
173.04486	1.4
173.08112	1.1
175.61926	0.6
179.03525	0.9
191.01958	0.9
191.05515	1.2
193.05070	0.9
203.05550	0.7
209.02916	0.6
293.12384	100.0
294.12668	6.2
326.08041	1.0
329.08807	3.5
369.09692	2.2
455.20908	0.7
466.20209	0.8
667.22809	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	669.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03426	2.1
59.01374	14.3
60.99303	11.5
67.01871	0.8
68.99804	2.3
69.03440	1.7
69.45953	0.6
69.61375	2.4
69.61787	2.0
71.01376	14.2
72.99304	6.1
73.02935	2.1
75.00864	14.5
85.02939	16.2
87.00871	9.9
88.98797	66.0
89.02428	4.2
89.99126	1.0
93.03455	3.6
95.01371	4.0
98.20663	0.9
99.00870	10.5
101.02454	0.7
103.00359	1.7
111.00876	1.4
113.02444	13.4
115.00324	1.2
117.01919	1.3
119.05025	1.8
121.02931	5.2
122.03755	4.0
123.04513	3.3
125.02444	0.8
128.14537	0.7
129.01929	2.3
131.03517	0.9
133.02969	1.0
134.03708	1.3
135.04491	1.4
137.02438	1.4
139.03922	1.1
145.02914	0.9
146.03728	1.4
147.04478	2.0
149.02432	22.4
149.03619	1.4
150.03218	34.2
151.04041	5.4
152.01172	1.8
157.01347	1.0
161.02403	2.3
163.04018	4.0
164.04787	14.4
165.05548	30.3
166.05841	1.1
167.03465	3.1
169.04976	1.0
173.04462	1.2
175.00330	2.0
175.02422	2.2
176.00980	1.0
177.05510	1.5
178.06300	1.8
179.03424	0.8
179.07117	7.7
180.04250	2.9
181.05038	2.8
189.04024	0.8
190.02765	4.4
191.03442	2.8
191.05521	1.0
193.01385	3.2
195.06570	5.8
205.05042	4.0
207.02977	1.6
208.03728	5.7
209.02882	1.5
209.04657	1.7
223.06061	15.9
227.03473	1.7
231.05023	1.6
249.06120	21.0
255.02905	2.2
267.07175	5.4
282.07462	1.3
283.02768	0.8
283.08176	1.1
284.03329	3.9
285.03854	2.3
297.09760	2.4
349.09506	1.0
371.11264	1.6
411.12885	1.9
429.14066	1.0
455.11743	2.4
471.11340	2.2
472.12119	5.1
473.12662	5.9
474.13525	1.3
487.14651	1.4
527.14325	1.0
579.13281	5.4
651.19226	2.5
669.20233	100.0
670.09973	1.1
670.20618	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	670.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97546	0.1
59.01369	0.4
61.09120	0.1
61.98828	100.0
62.50999	0.1
62.98523	0.1
71.01377	0.2
85.02943	0.2
87.00881	0.9
88.01222	0.2
98.20744	0.2
99.00853	0.1
100.36319	0.1
101.02465	0.1
113.02467	0.1
117.03511	0.1
119.05006	0.1
125.02437	0.2
130.99884	0.3
132.00241	0.1
132.09305	0.1
133.00311	0.1
145.02980	0.3
147.04482	0.1
149.06029	0.1
149.09877	0.1
150.06677	0.1
164.37059	0.1
173.04575	0.1
191.91589	0.1
205.03572	0.2
206.03844	0.1
254.04221	0.1
255.05063	0.1
256.04865	0.2
284.03268	2.0
285.03656	0.2
299.05600	3.0
300.06012	0.2
307.08301	0.3
313.03696	0.1
352.11298	0.2
353.11505	0.2
431.92917	0.1
574.63855	0.1
607.15259	0.2
669.39471	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03443	0.6
58.00585	0.6
58.85434	0.3
59.01378	18.0
61.98835	0.4
69.03460	1.5
71.01382	10.1
72.99313	1.2
73.02946	1.2
75.00883	0.4
81.03459	1.1
83.01386	1.6
85.02946	3.1
85.06589	6.4
87.00867	1.3
89.02439	9.7
93.03439	0.4
95.01386	1.5
96.95960	0.6
97.02945	8.3
101.02434	7.8
107.01344	0.4
112.04038	0.3
113.02438	3.9
113.06075	1.7
115.07671	1.0
119.03492	4.0
119.05069	1.0
121.02891	0.4
124.32476	0.3
125.02440	56.1
126.02774	1.7
127.07634	0.6
128.03554	0.5
131.07135	34.7
132.07481	1.4
143.03465	0.7
146.04587	0.9
147.04622	0.6
161.04639	0.4
163.04005	1.2
172.69226	0.3
173.04497	0.7
173.08150	0.8
179.03467	0.5
179.05704	0.4
191.01907	0.4
191.05632	1.1
192.30537	0.4
203.05609	0.6
292.08200	0.6
293.12402	100.0
294.12750	6.2
326.07843	0.3
329.08746	3.1
369.09711	1.3
384.21130	0.3
507.70395	0.3
516.34949	0.4
577.08423	0.5
667.23016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55719	1.3
54.55625	1.8
55.33061	1.3
57.03444	1.6
59.01377	7.3
70.00172	7.5
71.01376	3.8
73.02949	1.5
75.00852	2.2
85.02943	5.8
87.00876	21.5
90.85434	2.0
93.03443	5.6
97.06592	8.7
97.07138	1.4
101.02426	3.9
104.14442	1.7
105.03403	2.3
107.04996	8.1
111.04505	3.8
112.05296	6.4
113.02419	3.5
121.02948	37.7
122.03795	4.3
123.04533	2.5
130.99840	5.7
135.04425	2.2
137.02402	4.3
142.28065	1.4
145.03008	1.8
146.03731	2.1
146.28726	1.4
147.04520	22.3
148.05264	3.0
149.06076	3.6
149.92332	1.8
159.06445	1.4
163.04077	4.0
164.04778	2.8
165.04030	1.9
165.05573	1.6
165.12798	3.3
173.04518	2.6
174.29813	1.5
181.84009	1.5
183.13914	2.6
191.03473	8.4
191.05412	2.9
192.04170	3.1
193.05031	2.9
201.09105	2.7
214.17732	1.8
219.10191	2.0
245.11623	2.1
246.72385	1.5
252.02892	1.7
254.04091	4.8
255.05530	1.6
289.10855	4.0
291.08832	8.1
300.02560	3.7
315.05078	8.4
333.09720	5.7
351.10822	100.0
352.11203	7.8
410.54645	1.9
623.36176	4.8
667.28223	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	667.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98117	1.2
51.74351	1.2
53.02812	1.3
59.01372	24.9
61.98818	1.4
69.68577	1.4
70.28710	4.1
71.01366	9.7
73.02921	3.1
74.29021	1.3
75.00864	3.1
75.13902	1.7
83.01360	2.3
85.02949	9.1
87.00870	100.0
88.01239	1.4
88.76955	1.5
89.02422	2.4
98.20554	1.8
99.00861	2.6
101.02442	7.1
102.58042	1.4
113.02433	3.9
121.02959	3.3
126.47892	1.3
130.12405	1.4
130.99854	56.2
134.03705	1.4
135.04512	2.5
136.01775	1.2
137.02414	4.6
145.02937	1.8
147.04492	10.4
148.05270	4.0
149.02409	2.2
149.05978	2.0
161.04645	1.6
163.04008	2.0
175.00392	1.9
190.02621	3.7
191.03421	1.5
192.04288	1.8
193.05095	3.5
194.05293	1.8
205.04974	4.5
219.26357	1.3
227.03499	2.1
232.29947	1.3
240.04010	1.5
254.04294	77.1
255.04617	4.7
284.03247	14.6
299.05551	13.8
329.06607	4.3
350.47363	1.6
351.10782	66.6
352.11096	6.2
444.64737	1.3
491.28531	2.3
493.30057	1.5
557.53870	1.8
607.30463	4.2
607.80847	3.1
616.30829	22.8
616.81238	13.4
637.31604	3.9
667.16779	4.7
667.36072	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	667.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01377	7.2
59.01657	0.3
59.07304	0.2
59.07989	0.2
61.98803	0.9
62.21782	0.3
69.34726	0.6
69.35133	2.0
71.01382	3.1
72.81410	0.2
72.99268	0.5
73.02922	1.2
75.00829	0.9
75.75313	0.2
79.63364	0.2
80.35793	0.3
83.01359	0.9
85.02951	2.1
87.00838	1.1
89.02432	0.6
93.03410	0.5
95.01409	0.4
99.00845	0.8
101.02438	2.0
109.02912	0.6
113.02404	1.0
117.03461	0.7
119.03521	0.3
119.05025	1.8
121.02886	0.4
132.02171	1.9
133.02898	0.4
134.03738	2.9
137.02440	1.4
139.03940	0.7
143.03470	0.5
145.02937	3.0
147.04509	2.4
148.01636	0.5
148.05215	1.1
149.06042	1.0
160.01640	8.1
160.98822	0.3
161.01994	0.4
161.04588	0.3
161.99530	1.0
163.00276	0.4
163.04004	1.2
164.04727	0.4
166.03696	0.3
171.04482	1.2
175.03987	6.4
176.04388	0.3
183.04485	0.7
187.04025	0.8
189.99026	0.4
190.02579	0.4
190.99875	0.5
192.04205	1.0
193.05058	2.0
199.03954	2.3
205.05013	0.6
211.03966	0.5
214.02614	0.5
215.03468	1.6
216.13220	0.3
217.04993	0.3
226.02580	0.3
227.03473	4.5
235.06107	0.5
236.03238	0.6
238.09032	0.3
243.02977	4.1
255.02968	6.4
258.05344	0.7
265.07199	0.4
270.01660	0.3
270.05188	0.6
271.02460	10.9
272.02682	0.6
282.01492	0.5
283.02426	0.4
284.03275	4.0
284.06192	0.5
285.03778	0.8
295.08206	0.4
296.03339	0.6
298.01193	0.5
299.01953	12.9
299.05603	6.0
300.02319	1.1
300.05899	0.6
313.03381	1.1
314.04300	66.6
315.04636	5.3
329.06638	100.0
330.06918	8.5
333.09833	2.2
337.09244	5.5
338.09869	0.4
364.18097	0.3
424.22519	0.3
471.61743	0.3
493.11298	0.3
535.28284	0.4
607.30536	2.2
607.80780	0.8
616.31036	5.9
616.81360	2.8
637.31598	2.9
637.81525	2.2
667.15503	3.0
667.23712	0.6
667.38324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
63.21229	0.2
65.00289	0.2
70.91793	0.3
73.02921	0.4
77.03851	0.2
85.02922	0.4
87.00869	0.2
89.02441	1.5
91.01882	0.3
93.03400	0.3
97.02919	0.2
99.00866	0.4
101.02391	0.5
113.02370	0.2
117.03396	0.2
119.01413	0.8
119.05014	0.2
121.02905	0.6
125.02467	0.9
129.72069	0.1
132.02121	0.7
133.02939	0.4
143.03357	0.1
147.00862	0.6
147.04451	0.6
149.02438	1.6
155.05005	0.2
161.02293	0.2
163.00327	0.9
163.04022	0.3
164.04779	1.4
175.00343	3.8
179.07167	0.2
183.04443	0.3
184.05228	0.3
190.02705	7.6
190.99866	2.0
191.03084	0.5
191.05540	0.3
199.03995	0.5
200.04768	1.2
205.05049	4.9
206.05428	0.4
208.03719	0.2
210.03064	0.2
211.03868	0.8
211.59131	0.2
212.04648	0.3
221.08031	0.3
223.06139	1.5
224.60172	0.2
227.03409	1.8
228.04265	2.0
230.59041	0.1
232.03688	0.2
233.06685	0.8
238.02719	0.3
239.03513	1.1
240.04262	6.2
241.04678	0.4
255.00478	0.3
255.02924	2.6
255.05586	0.2
255.06697	0.2
256.03619	1.0
265.07217	0.2
267.02948	0.2
283.02463	3.9
284.03241	74.3
285.03577	5.5
293.08759	0.7
298.01752	0.3
298.04794	2.5
299.05582	100.0
300.05930	8.6
300.59003	0.2
306.05518	0.2
313.07138	3.8
314.07483	0.3
325.09219	0.5
328.02225	0.5
333.09763	0.6
343.04623	1.0
358.06857	0.6
367.10312	6.6
368.10629	0.5
373.09323	1.1
667.16870	0.7
668.16699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01375	13.6
61.98822	1.8
62.43148	1.1
64.76219	1.1
67.01884	1.9
69.03440	1.2
69.37966	7.6
69.38380	2.5
70.73819	1.2
71.01379	9.0
72.61333	1.3
73.02933	3.8
75.00849	1.8
83.01405	1.2
85.02939	8.9
86.95989	1.2
87.00877	12.1
89.02432	4.6
93.03445	5.7
95.01378	2.5
96.95973	1.9
99.00848	1.9
101.02422	2.3
109.02911	2.5
110.00082	2.0
111.00892	1.5
111.04495	2.1
112.20799	1.2
113.02464	6.1
119.05016	3.3
121.02969	1.5
121.83878	1.1
123.00876	1.4
123.04497	3.8
125.02469	1.7
127.95135	1.1
130.99872	1.7
134.03683	1.3
137.02431	10.8
139.04060	1.8
140.01205	1.7
145.02963	4.9
146.03696	2.4
147.03194	1.5
147.04497	3.2
149.02391	1.1
149.06029	2.0
149.69312	1.7
151.00365	15.0
152.01086	1.6
152.04817	1.9
155.03485	5.3
159.04500	2.0
161.02460	1.9
163.03983	1.6
164.04799	1.5
165.03987	4.4
165.12833	5.9
165.98987	4.4
166.02701	48.7
167.03281	3.4
173.04538	4.7
173.05870	1.2
174.03198	3.0
175.03955	5.1
175.07625	2.4
177.01866	1.8
181.01424	3.5
181.05049	61.4
182.05280	3.5
183.13857	9.8
187.03951	1.6
189.05501	1.3
189.08937	1.3
191.01913	1.6
191.03549	1.8
191.05595	7.3
193.04944	3.0
201.01974	1.8
223.08115	2.0
227.03465	2.6
227.12816	1.8
242.53026	1.2
243.10222	2.1
247.05910	1.3
249.06023	1.6
255.02844	3.3
255.05145	2.0
263.07690	2.9
281.08743	2.6
283.02548	1.9
284.03290	7.5
291.07022	2.8
299.05591	3.6
329.06467	3.1
333.09781	2.1
357.05954	5.2
367.50903	1.3
383.11584	1.5
387.10922	13.4
402.13129	6.0
417.15503	100.0
418.15863	10.1
461.10867	3.5
491.21478	9.0
491.27722	1.5
492.21393	1.7
647.19720	1.8
665.16052	8.5
665.25787	13.4
666.26910	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30838	0.8
57.03450	1.3
59.01378	6.9
61.98811	1.9
69.19374	9.3
71.01376	8.5
73.02930	3.5
75.00864	1.1
83.01379	1.8
85.02944	6.2
87.00868	3.4
89.02427	1.6
93.03412	2.3
96.95968	1.7
101.02441	5.7
113.02416	3.5
119.04955	1.8
121.02931	1.9
123.00864	2.8
125.02447	0.9
131.04942	1.0
134.03761	1.1
137.02454	2.3
138.03189	2.8
139.03896	1.4
145.02893	1.8
147.04507	3.5
148.01639	1.4
149.02325	1.6
153.05548	1.7
159.03169	1.4
159.04504	12.2
161.02406	3.6
161.04590	1.1
161.05919	1.2
163.03966	4.1
164.04840	1.1
165.01862	1.5
169.03050	1.0
171.04489	1.4
172.05190	1.2
173.02475	5.9
173.04549	3.6
173.06030	8.7
174.03201	1.4
175.03909	1.9
186.03130	1.6
187.04039	6.8
189.05478	1.2
191.01897	1.5
191.05626	1.9
193.04984	1.2
195.06577	1.2
197.06020	1.1
198.03207	1.1
199.03984	5.8
209.05983	1.1
211.03929	1.1
217.01501	4.5
217.04839	1.0
221.06119	1.7
223.07751	2.0
225.05551	1.8
227.03368	1.2
228.04124	0.9
229.01422	1.2
233.06024	1.6
238.06303	1.6
239.07080	3.6
241.05112	1.2
248.04758	2.0
249.05554	12.0
250.06073	2.6
251.07108	4.6
252.04128	1.2
253.04947	2.2
261.05530	2.4
262.02109	1.0
263.03467	1.2
264.04208	1.3
265.05075	1.8
266.05798	1.9
267.06546	7.5
270.05179	0.9
276.04092	2.7
277.05042	37.4
278.05591	6.6
279.06659	7.2
280.03806	2.7
281.04504	4.0
290.02121	1.3
291.06744	1.4
293.04462	3.8
294.05319	10.8
295.06079	19.7
296.06866	4.7
297.04181	2.1
297.07611	5.0
305.04517	17.0
306.05066	4.0
307.05981	3.6
308.03281	1.1
308.06735	1.1
309.07559	2.3
310.08356	6.7
311.09024	2.8
312.06323	1.1
312.09903	3.7
319.06061	2.5
320.06726	1.8
321.03928	2.9
321.07574	2.4
322.00958	1.0
322.04700	17.1
322.08426	4.9
323.05560	43.7
323.09045	1.8
324.05783	3.6
325.10657	6.7
327.12332	4.2
336.06317	1.5
337.07175	32.2
338.07910	46.8
339.08179	4.2
351.08838	6.7
352.09085	1.2
353.10294	100.0
354.10745	9.1
367.04285	2.1
379.08331	1.8
382.06873	2.5
397.09265	18.8
398.09573	2.7
415.14441	1.0
423.07263	8.3
453.36032	1.1
510.17569	1.0
572.29077	1.1
577.19287	27.0
578.19568	3.0
603.17615	2.9
621.18176	39.4
622.18378	8.7
647.16211	14.4
648.16364	3.7
665.17102	82.8
666.17340	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	661.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
58.00597	0.5
59.01377	14.8
60.07087	0.2
65.20676	0.2
71.01380	8.1
71.01780	0.4
71.53638	0.3
72.60196	0.3
72.99303	0.7
73.02956	0.7
75.29317	0.2
83.01373	0.7
85.02954	2.8
85.06591	6.9
86.33139	0.2
87.00835	1.3
89.02445	9.6
93.03464	0.6
95.01406	0.6
96.96014	3.6
101.02442	7.6
102.05601	0.2
113.02445	4.0
113.06083	1.8
115.07656	0.8
117.03445	0.4
119.03490	3.5
119.05031	0.9
123.04517	0.3
125.02452	0.7
127.07666	1.1
128.03542	0.3
131.07138	33.3
132.07455	0.7
134.03743	2.9
135.04596	0.3
143.03502	0.4
146.04588	0.4
147.04506	0.3
149.04642	0.3
149.06079	0.7
159.04536	0.2
161.02461	0.4
161.04568	0.4
163.04048	0.8
166.02698	0.2
173.04533	0.8
173.08179	1.1
177.05565	0.3
179.03476	0.3
179.05576	0.7
191.01784	0.4
191.05658	1.0
193.05057	3.5
203.01942	0.3
204.22945	0.3
227.03424	0.3
239.05579	0.9
284.76703	0.2
292.08316	0.7
293.12411	100.0
294.12759	5.6
323.78513	0.3
367.10278	1.5
487.04962	0.7
661.18774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61628	0.1
59.01373	1.3
60.68187	0.1
61.98785	0.6
65.00282	0.4
71.01377	0.9
73.02922	0.3
74.36391	0.1
77.78801	0.1
83.01356	0.2
84.75826	0.2
85.02922	0.2
85.35469	0.1
87.00877	1.2
89.02434	0.8
93.03432	0.2
99.00828	0.4
101.02389	0.4
104.70500	0.1
110.00085	0.3
113.02402	0.2
119.05028	0.2
121.02937	0.2
122.03754	0.1
125.02388	0.4
130.99873	0.3
131.03467	0.2
137.02406	0.2
145.02908	0.5
147.04460	0.4
148.05244	0.2
149.04535	0.2
149.99562	0.2
163.00313	0.7
165.05350	0.2
165.99004	0.2
173.04410	0.3
190.99806	0.6
191.05453	0.2
196.14198	0.1
197.06035	0.3
197.11790	0.2
199.04028	0.2
209.06123	0.1
209.11743	0.3
211.03987	0.2
212.04727	0.6
213.05566	0.7
224.04715	0.4
225.05522	0.5
227.03279	0.2
229.56750	0.2
233.06549	0.3
237.05621	0.3
239.03444	0.3
240.04253	0.3
241.04962	0.3
251.03481	0.3
251.10805	0.3
252.04297	2.0
253.05043	1.9
253.07489	0.2
253.08864	0.3
254.04495	0.2
255.02835	0.2
263.03522	0.2
265.05011	1.3
267.02927	0.4
267.10165	0.5
268.03726	0.7
268.11026	0.9
269.04480	0.3
279.10159	0.5
281.04474	0.4
284.03253	0.3
286.48895	0.2
293.08408	0.7
295.02466	0.2
295.09656	1.2
296.03265	1.4
296.10516	1.7
297.04010	3.2
298.04431	0.3
300.10092	0.2
307.09622	0.6
308.10486	3.4
309.04068	4.3
309.07443	0.4
309.10590	0.3
310.04297	0.5
323.05737	0.3
323.09238	2.3
323.12735	0.2
324.09824	0.2
335.09015	0.3
337.07257	0.8
351.08731	3.3
352.09485	78.3
353.09839	7.3
353.14267	0.2
367.11826	100.0
368.12167	10.6
368.18985	0.2
529.17560	0.2
541.19598	0.2
652.78784	0.2
688.30090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47009	0.1
52.99800	0.1
59.01383	0.1
61.98828	100.0
62.98518	0.1
62.99268	0.1
84.73388	0.1
85.02977	0.1
98.20621	0.3
100.26550	0.1
103.83704	0.1
113.00341	0.1
175.63074	0.1
227.03795	0.1
284.03278	0.6
285.03616	0.6
286.03833	0.4
287.04144	0.1
299.05453	0.5
300.05933	0.5
301.06250	0.3
302.06415	0.2
517.26489	0.1
563.20013	0.1
593.15247	0.1
678.36755	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18377	0.1
59.01366	0.1
61.91719	0.0
61.98829	100.0
62.98531	0.2
62.99268	0.1
71.01380	0.1
85.02979	0.1
87.00885	0.2
89.02480	0.0
112.49532	0.0
114.93580	0.0
131.86537	0.0
139.58737	0.0
149.06148	0.1
154.00908	0.1
156.13776	0.0
173.04590	0.1
175.20134	0.0
191.02098	0.1
209.03117	0.1
227.03473	0.1
228.04315	0.1
228.11385	0.0
229.01566	0.1
241.04839	0.1
249.99361	0.1
255.03000	0.2
284.03284	0.8
284.06122	0.1
285.03632	0.6
286.03812	0.3
287.04190	0.2
299.05591	0.7
300.05939	0.6
300.08954	0.0
301.06174	0.4
302.06396	0.3
333.09854	0.1
396.02713	0.1
523.09229	0.1
593.15210	0.3
638.16907	0.1
656.18311	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98834	4.6
65.00311	0.7
71.01379	0.4
85.02966	0.5
87.00858	0.8
93.03470	0.5
107.01374	1.1
108.02204	0.9
109.02953	0.4
121.02932	0.6
135.00871	0.6
148.01677	1.0
151.00381	5.5
157.09299	0.4
159.04538	0.4
163.00346	1.0
164.01091	0.4
173.04613	0.6
178.99895	3.6
215.03394	0.4
216.04309	0.6
226.02654	0.7
227.03488	1.5
229.09261	0.5
243.00528	0.4
243.02985	7.9
244.03357	0.6
254.02237	1.8
255.00217	0.7
255.02968	20.9
256.03329	1.6
271.02460	43.0
272.02975	4.8
287.74841	0.4
299.01984	2.1
299.04874	0.4
299.50113	0.4
300.02731	100.0
301.03293	15.5
314.04156	0.4
337.32242	0.4
595.13000	90.2
596.13275	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	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13482	0.1
55.61946	0.1
57.59423	0.1
59.01382	0.6
60.40575	0.1
61.98829	100.0
62.98547	0.2
66.43501	0.1
69.38733	0.1
69.39054	1.1
71.01384	0.5
75.00867	0.1
85.02950	0.6
87.00895	0.4
89.02455	0.3
89.72524	0.1
93.03468	0.5
96.96002	0.2
113.02449	0.2
113.69720	0.2
119.05015	0.2
125.02415	0.2
130.99823	0.2
137.02449	0.3
145.02953	0.2
147.04558	0.2
149.06064	0.2
156.78859	0.1
167.56520	0.1
173.04576	0.5
190.99898	0.3
191.01991	0.2
191.05649	0.2
193.05113	0.2
209.02965	0.1
227.03619	0.3
237.04112	0.1
255.03012	0.4
283.02557	0.5
284.03278	2.6
284.06445	0.2
285.03836	0.5
299.05591	3.0
299.08749	0.2
300.05829	0.3
383.48590	0.2
506.11060	0.2
527.01721	0.2
593.15161	3.8
594.15607	0.4
656.69427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98825	2.3
69.38884	1.5
69.39294	3.3
75.08360	0.6
78.85316	0.6
83.48788	0.6
87.00875	0.6
107.01392	1.5
108.02164	1.2
109.93814	0.6
121.02955	1.0
135.00883	0.9
148.01700	1.1
151.00340	5.8
163.00325	0.8
163.88864	0.6
178.99910	3.3
179.62221	0.6
203.01929	0.7
226.02826	1.0
227.03511	1.9
243.02994	7.7
254.02155	2.1
255.02980	20.3
256.03229	1.3
271.02460	44.0
272.02969	4.7
291.85617	0.6
299.01721	1.0
300.02737	100.0
301.03329	14.7
302.03918	1.1
595.13019	89.6
596.13397	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	660.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99392	0.3
54.28670	0.3
57.03445	0.7
59.01376	3.9
61.98828	100.0
63.94750	0.3
66.03879	0.3
69.03457	0.3
71.01387	2.8
73.02950	0.7
75.00880	0.5
76.97335	0.5
77.97256	0.4
78.95861	0.3
83.01403	0.3
85.02959	1.4
87.00880	8.1
88.98802	0.5
89.02457	1.2
95.05040	0.4
96.96051	0.5
99.00906	0.9
101.02471	1.4
111.08159	1.5
113.02489	0.8
119.03522	0.5
120.35934	0.4
123.04480	0.4
125.02484	0.5
130.99870	2.8
135.04541	0.4
137.02451	0.8
146.03743	0.5
147.04543	1.3
148.05092	0.4
149.06116	0.6
163.04039	0.4
165.12843	6.6
165.14160	0.6
165.99149	0.4
166.13235	0.5
170.11357	0.3
183.13831	1.7
191.03632	0.4
197.15514	0.9
209.11876	0.7
211.13422	0.4
227.12825	0.5
254.04315	3.7
255.05029	0.6
257.11368	0.4
271.02499	0.9
284.03253	0.5
295.70950	0.4
299.02039	1.4
300.02634	1.2
314.04214	0.5
315.05206	1.3
336.05594	0.3
343.04498	0.4
345.06152	0.6
346.06955	2.4
350.07913	3.4
351.08218	5.5
358.06781	0.5
359.07471	0.5
365.10321	5.2
366.10629	9.2
367.11047	1.1
582.85010	0.4
596.79797	0.4
597.32745	15.5
598.32922	2.9
652.29724	1.8
661.38666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03448	11.1
58.00594	0.4
59.01376	7.2
60.65582	0.2
61.98819	0.8
68.99824	0.7
69.37315	1.1
69.37720	0.5
71.01004	0.4
71.01380	5.0
72.99296	1.4
73.02950	0.3
75.00875	1.3
83.01386	1.6
84.02158	3.0
85.02949	100.0
86.03276	1.7
87.00874	2.5
88.98827	0.4
89.02444	1.9
96.95986	0.2
97.58674	0.2
99.00863	0.3
99.34048	0.2
101.02451	0.7
103.00369	1.6
108.38468	0.2
111.00909	0.4
113.02459	0.4
115.00381	0.4
117.03437	0.3
119.05019	2.2
121.02949	0.4
129.01938	7.3
130.99854	0.3
132.02156	0.4
133.01413	1.8
137.02451	0.3
145.02980	0.5
147.02992	14.3
148.03294	0.4
149.05968	0.2
163.03990	1.7
165.04048	0.6
166.15620	0.3
173.00951	0.3
173.04506	0.5
191.01967	48.0
192.02328	1.5
209.03018	30.5
210.03392	0.8
255.03085	0.3
283.02530	0.9
284.03226	3.7
285.03775	0.3
299.05566	3.5
300.05896	0.3
324.82663	0.2
337.05823	0.5
355.06668	4.2
369.11835	0.8
655.34558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82436	0.2
55.01873	2.2
56.21702	0.2
57.03445	12.7
57.20053	0.2
58.03807	0.3
59.01375	5.6
61.98814	1.1
67.01857	0.3
68.99820	0.3
71.01366	2.7
72.99301	1.2
73.02950	0.2
75.00870	1.5
83.01389	1.6
84.02164	2.8
85.02944	100.0
86.03278	1.9
87.00880	1.7
89.02395	0.3
93.03440	0.4
101.02441	0.4
103.00356	1.7
111.00883	0.4
115.00328	0.7
118.38737	0.2
119.05019	9.0
120.05331	0.3
125.02451	0.3
129.01938	9.2
132.02115	0.3
147.02985	25.9
148.03322	0.7
163.02675	0.4
163.03978	2.7
173.00914	0.2
191.01958	41.6
192.02269	1.4
209.11827	0.6
227.03630	0.3
229.56714	0.4
240.04303	0.7
255.03027	0.4
262.78510	0.2
283.02475	1.9
284.03226	3.5
297.04077	0.6
298.04880	1.5
299.05566	3.0
300.05994	0.3
303.33038	0.3
329.67023	0.3
463.10376	3.6
464.10632	0.5
655.13251	0.4
655.32080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34772	0.3
56.42863	0.3
59.01382	1.6
65.00333	0.7
71.04409	0.3
71.04726	0.5
73.02943	0.5
83.01412	0.3
85.02958	0.8
87.00887	0.6
89.02472	0.8
93.03485	0.4
96.96018	0.7
99.00874	0.5
101.02458	0.3
101.68867	0.3
109.02982	0.3
110.00140	0.8
111.00908	1.0
117.03487	1.0
119.05017	0.6
121.02985	1.1
124.01672	0.7
125.02460	0.4
133.03020	0.5
136.98798	0.5
137.02466	0.5
139.00389	1.5
140.01172	1.1
152.01147	1.6
152.02255	0.3
153.01933	0.5
155.03502	0.8
161.02458	0.4
163.00392	0.8
163.04012	0.7
164.01141	0.6
164.98349	0.3
165.99059	2.0
166.99847	1.3
168.00610	1.4
173.04527	0.4
179.03494	0.4
181.01402	1.8
182.02182	0.5
184.05267	0.5
187.04102	0.5
190.99864	2.9
191.05702	0.6
194.99387	0.7
195.03043	0.3
199.04019	0.7
200.04793	1.8
206.99306	0.8
208.00117	6.7
208.16995	0.3
209.00751	0.7
211.04004	1.2
212.04794	0.8
213.05557	0.3
223.02469	32.8
224.02742	1.3
227.03494	2.5
228.04260	3.2
239.03479	1.3
240.04248	7.7
241.04729	0.5
245.04538	0.6
255.02911	3.0
256.03732	1.8
267.02982	0.5
272.80771	0.3
273.04044	0.6
274.04755	1.4
283.02444	4.6
284.03247	98.9
285.03607	6.8
293.12463	0.8
299.05597	100.0
300.05951	7.8
302.04294	3.9
317.06647	20.9
318.06970	1.6
361.05469	0.3
518.12390	0.6
593.14667	0.7
651.50531	0.3
655.14966	9.4
656.14862	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	653.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91480	0.3
61.98815	0.8
65.82879	0.3
69.80392	0.9
69.80787	0.6
78.95899	100.0
81.19954	0.3
81.79626	0.3
96.96938	0.7
149.00069	4.4
152.99573	2.6
171.10281	0.7
205.15891	1.9
225.11392	0.5
243.64804	0.3
255.23244	2.9
273.54489	0.3
275.71765	0.4
285.12555	3.2
299.05710	0.6
355.16718	1.7
385.17914	0.6
391.22491	0.9
409.23520	0.5
447.13406	4.2
448.13617	0.7
563.33228	0.7
617.34680	0.5
635.35126	0.4
636.75134	0.4
653.30042	51.1
654.30389	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	653.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.30818	0.7
57.03423	0.7
58.00592	1.3
59.01377	38.2
61.98816	4.6
68.99802	0.5
69.03437	1.9
71.01376	30.9
71.54132	0.7
72.99305	3.3
73.02934	6.9
75.19337	0.6
78.95842	0.8
81.03450	0.9
83.01400	3.4
85.02940	7.9
87.00871	10.3
89.02435	30.6
95.01405	2.4
97.02937	5.2
99.00878	3.4
101.02434	29.4
111.04446	0.8
113.02444	14.3
115.03983	1.2
119.03484	9.1
121.02969	1.4
125.02441	12.6
131.03464	1.4
133.05064	1.3
137.02406	0.9
139.03951	0.9
143.03481	5.1
146.92384	0.6
161.04547	7.4
179.05605	8.1
185.04593	0.8
219.05080	1.0
221.06671	1.5
235.08194	15.1
235.10399	1.0
238.74495	0.7
245.06541	0.9
253.09236	3.2
255.23262	92.4
256.23615	9.4
263.07712	1.7
277.09146	1.2
284.03177	0.8
287.07684	5.0
299.05511	1.7
305.08801	4.4
323.09970	1.5
379.12509	1.2
397.13458	100.0
398.13889	5.9
415.14532	35.1
416.14893	2.7
506.23660	0.8
550.48004	0.7
634.09888	0.8
653.26123	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	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05320	0.3
53.87603	0.3
55.01878	1.2
57.03435	1.1
58.00592	1.9
59.01379	36.0
60.01697	0.7
61.98834	2.6
68.99815	0.8
69.03471	2.1
71.01379	34.6
71.08513	0.8
71.08851	0.4
71.84600	0.3
72.99306	2.6
73.02939	5.8
75.00861	1.2
78.95914	0.4
81.03447	1.6
81.26897	0.3
83.01391	3.9
85.02945	7.6
86.00123	0.4
87.00876	8.6
87.04487	0.3
89.02444	32.0
90.02773	0.8
91.04012	1.0
93.03439	0.3
95.01382	2.7
97.02953	5.8
99.00875	2.7
99.04536	0.5
101.02438	29.1
102.02770	0.4
110.50061	0.4
111.00896	0.7
111.04509	1.5
112.01621	0.3
113.02444	14.1
114.02754	0.4
115.04002	0.6
119.03497	9.8
121.02960	0.7
124.01641	0.4
125.01526	0.7
125.02443	13.7
126.02778	0.5
127.04012	0.7
131.03531	1.8
133.05052	1.0
137.02440	0.4
139.04001	1.0
141.01936	1.0
143.03508	6.1
145.39711	0.3
149.04535	1.3
152.99550	0.4
161.04553	7.7
167.03496	0.9
169.05031	0.5
171.02882	0.4
179.05609	5.6
185.04512	1.0
197.04422	0.5
199.06078	0.7
203.05664	0.6
217.07158	1.0
219.05150	0.4
221.06689	2.2
235.08206	15.0
236.08582	0.7
245.06659	0.7
253.09270	3.3
255.23279	100.0
256.23633	7.9
263.07681	1.4
269.24777	0.6
277.09317	1.0
284.03229	1.0
287.07736	3.8
299.05649	1.3
305.08765	4.6
323.09790	1.6
361.11215	0.5
379.12369	1.3
397.13470	98.5
398.13794	6.8
415.14563	36.3
416.15018	2.3
527.76630	0.4
653.26416	2.2
653.37775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20781	0.2
55.01876	1.9
56.02739	0.2
57.03446	11.3
58.03778	0.3
59.01377	7.8
60.62762	0.2
61.98829	1.3
67.01891	0.3
67.50456	0.2
68.99817	0.6
69.03451	0.4
71.01380	6.0
71.54583	0.4
72.99302	1.7
73.02938	0.6
75.00865	1.8
80.21433	0.2
83.01386	1.8
84.01717	0.3
84.02172	3.2
85.02947	100.0
86.03271	1.8
87.00870	4.6
89.02437	2.1
93.03476	0.7
97.06612	0.3
99.00872	0.5
101.02458	0.8
102.45719	0.2
103.00373	2.1
107.04999	0.3
109.02922	0.3
110.03197	0.2
111.00832	0.5
111.04443	0.2
113.02440	0.8
115.00368	0.5
119.05031	2.6
122.03486	0.2
123.04488	0.2
129.01938	8.7
130.99840	0.6
132.02158	0.5
133.01436	1.6
133.02914	0.3
134.03734	0.4
135.04544	0.4
137.02464	0.7
145.02968	0.4
147.02995	14.1
148.03384	0.3
148.05153	0.2
149.02463	0.3
149.06046	0.4
161.02429	0.3
163.04013	1.4
164.04678	0.2
165.04041	1.0
173.00919	0.4
173.04526	0.9
175.04080	0.2
177.01793	0.2
191.01967	47.6
192.02341	1.2
192.03893	0.3
193.05008	0.4
199.03967	0.3
203.01871	0.4
207.05212	0.2
209.03012	33.6
210.03326	1.1
215.07211	0.4
227.03612	0.3
240.04306	0.5
253.07365	0.4
283.02551	1.0
284.03238	3.9
285.03635	0.4
299.05591	3.1
300.02719	0.7
301.02954	0.5
302.03415	0.6
313.03687	0.2
315.05014	1.2
316.05334	0.7
317.05777	0.3
322.58405	0.2
329.06204	0.2
337.05655	0.7
343.91608	0.2
346.43176	0.2
355.06604	3.5
356.06799	0.3
402.94495	0.2
449.16333	0.3
459.10837	0.2
463.19778	0.2
611.21057	0.4
650.57813	0.2
655.24139	0.9
655.33606	0.9
657.15961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24502	0.4
61.21222	0.5
62.96401	0.8
70.66889	1.0
70.67228	0.7
78.95902	100.0
81.03478	0.8
83.05029	2.7
95.05035	0.6
96.96011	1.1
96.96963	8.1
105.14065	0.5
134.98537	1.6
150.97949	0.5
152.99585	58.2
153.99883	1.2
163.11340	2.3
165.12860	1.3
208.04150	0.5
209.11821	33.8
210.12160	1.6
227.12822	4.0
255.23273	92.2
256.23608	8.2
363.12137	7.7
364.12357	0.9
381.13083	1.2
391.22522	24.8
391.43170	0.5
392.22845	2.7
395.14780	7.2
409.23615	10.3
410.23785	1.0
466.96881	0.6
619.36084	61.9
620.36487	10.3
651.38788	26.8
652.38977	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89880	0.3
51.13527	0.3
54.72658	0.3
57.03460	0.3
59.01373	3.3
59.31548	0.3
61.98825	14.9
65.80905	0.3
71.01372	2.4
73.02952	0.9
74.04372	0.3
80.18993	0.3
81.48629	0.3
83.01364	0.5
85.02946	1.3
85.07706	0.3
87.00873	3.4
88.98782	0.4
89.02441	1.1
89.16630	0.3
93.03465	0.9
95.81769	0.3
96.96000	0.7
97.02962	0.4
97.06577	0.3
98.20636	1.3
99.00879	0.5
101.02458	1.2
107.05051	0.6
108.29690	0.4
110.00097	0.4
111.72781	0.3
112.72818	0.3
113.02444	0.9
115.35075	0.3
117.03440	0.3
118.29673	0.3
119.05017	0.4
121.02966	1.2
122.03699	0.7
123.00909	0.3
123.04568	0.4
125.02396	0.6
130.99870	0.5
132.02148	3.3
133.02953	1.2
134.03709	3.4
135.04483	1.2
136.43645	0.3
137.02440	0.8
138.48007	0.3
145.02939	0.4
146.03716	0.6
147.04538	1.6
148.01694	2.3
148.05226	0.5
149.02403	0.5
149.06065	1.3
151.00308	0.5
159.04524	0.9
160.01643	10.8
161.02467	2.3
163.00365	1.2
163.04028	0.6
165.04004	1.3
165.05385	0.5
172.05255	1.1
173.04546	0.7
175.03981	8.4
176.04576	0.6
178.02724	0.3
179.03499	1.0
183.04515	0.4
190.02748	0.7
190.99873	3.4
191.03548	0.9
191.05559	0.7
192.00658	0.5
193.04996	2.2
194.05324	0.4
199.03935	1.8
200.04759	1.0
203.03499	0.7
205.05109	0.4
211.03979	0.9
215.03522	0.6
216.04289	1.8
226.02750	0.8
227.03485	3.0
228.04178	1.0
229.04889	0.4
239.03578	0.6
240.04204	0.4
242.02243	0.3
243.02991	1.9
244.03810	2.5
255.02931	4.0
255.05096	0.4
256.03738	6.3
257.04428	0.8
271.02475	4.0
272.03128	0.9
275.01709	0.3
282.01511	0.5
283.02460	0.7
284.03238	2.7
285.04025	10.1
286.04285	0.7
287.22208	0.5
298.01266	0.8
299.01950	6.9
299.05588	3.7
300.02719	100.0
301.03101	6.3
313.03610	1.1
314.04297	2.8
315.05075	98.3
316.05411	6.2
323.07721	4.8
328.05905	0.8
329.06625	3.1
337.09384	2.4
343.08136	2.8
351.10815	3.1
353.08511	0.5
420.90692	0.3
447.16495	0.9
449.27567	2.0
491.28351	0.5
588.59253	0.3
609.34259	0.7
652.31970	0.5
653.15021	42.8
653.32916	1.4
654.15302	6.7
654.25433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95062	0.7
55.01879	2.4
57.03442	5.9
59.01108	1.4
59.01381	17.4
61.98829	7.9
67.01882	1.0
69.03455	1.5
71.01382	13.0
71.05074	1.0
71.47831	0.9
72.99297	2.0
73.02950	4.6
75.00871	20.9
79.72374	0.9
81.03459	1.5
83.01392	2.5
83.05020	3.9
85.02951	12.0
87.00870	10.1
88.98802	1.4
89.02459	2.5
93.03450	13.5
95.01407	2.2
96.96006	1.4
97.06599	0.7
98.19849	1.8
99.00893	3.1
101.02445	10.1
103.00372	1.0
111.00880	1.1
111.04525	9.7
113.02436	5.3
113.09737	2.1
119.05022	1.0
121.02952	1.8
123.04511	1.2
125.02433	1.4
127.04021	1.2
129.01936	4.3
134.03749	0.9
137.02448	2.9
145.02934	1.5
146.03770	1.0
147.03011	1.8
147.04533	2.8
149.02452	2.2
149.06073	3.7
155.03473	7.1
161.02454	1.0
161.04572	2.1
163.04071	1.0
164.04779	1.8
165.04044	44.0
165.05437	2.2
165.12753	1.2
166.04410	1.3
171.10280	2.5
173.04550	22.6
174.04875	1.8
175.03943	2.1
191.03891	1.4
191.05589	6.6
193.05104	2.4
193.07205	5.9
209.53506	0.8
221.19095	42.4
222.19499	2.8
223.06082	1.9
237.18613	0.9
239.20184	3.5
249.06068	1.3
265.18079	28.0
266.18423	2.2
267.07010	2.0
283.19147	35.4
284.03320	2.8
284.19519	2.7
285.03976	1.4
299.05731	1.8
301.20166	31.9
302.20563	2.7
367.25262	1.0
367.90833	0.9
383.24393	3.0
401.25516	1.4
458.18478	1.0
459.07312	5.4
459.25864	1.0
477.27017	66.5
478.27332	7.1
491.34805	1.1
607.33563	0.9
651.32379	100.0
652.32758	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	651.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75127	0.9
53.80833	0.8
54.92231	0.7
54.94935	0.8
55.67675	0.8
57.03447	2.5
59.01111	1.0
59.01379	13.7
59.28112	0.8
60.99290	1.1
61.98832	4.3
64.11953	0.9
67.01887	5.7
69.03445	2.1
69.17005	1.5
69.17408	7.4
71.01378	12.4
72.99310	2.4
73.02937	3.5
75.00858	7.3
81.03455	1.6
83.01388	1.3
83.05016	2.5
84.81809	0.8
85.02946	6.6
87.00875	13.6
87.04464	0.9
88.55418	0.9
88.98827	0.9
89.02441	3.1
93.03456	43.3
94.03810	1.6
95.01367	1.1
95.04943	0.8
96.96024	1.1
99.00879	2.6
101.02470	4.9
108.02176	0.9
109.02951	1.9
111.00860	2.0
111.04524	8.7
113.02420	4.5
121.02937	1.4
123.04540	1.0
123.57475	1.2
125.02400	1.2
127.03960	1.2
129.02039	1.8
133.02957	1.0
134.03703	2.1
137.02443	8.8
145.02951	2.1
147.03008	0.9
147.04581	1.7
149.04486	1.7
149.06075	3.8
154.72702	1.1
155.03481	11.0
159.04539	1.8
160.01651	2.4
161.02385	1.5
163.03900	1.3
165.04044	9.6
165.05400	1.3
173.04539	100.0
174.04903	3.9
175.04045	2.4
181.06729	1.0
191.01994	0.9
191.05621	5.3
193.05032	3.5
193.07132	1.4
199.07722	0.9
221.19095	12.7
223.09587	1.0
227.03426	1.6
239.20177	1.2
255.02786	4.5
265.18054	7.8
267.07077	1.7
268.03766	2.5
271.09811	1.2
283.02466	2.8
283.06161	4.8
283.19168	13.7
284.03320	6.2
285.03738	1.8
298.04785	6.3
299.05518	4.7
301.20200	10.4
302.20480	1.2
313.03705	1.8
313.07117	10.4
314.07513	1.2
327.21881	2.5
337.09317	1.9
339.25278	1.0
341.26752	1.1
343.08054	1.9
366.22836	0.9
385.25876	2.5
401.25421	2.6
403.27048	2.9
459.07202	3.2
472.82584	0.8
477.20193	0.9
477.26938	27.3
478.27509	2.1
519.32153	1.1
607.32440	1.4
650.86426	1.0
651.32495	81.6
652.32745	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	651.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28252	0.2
51.34320	0.2
54.81239	0.2
55.01871	2.7
57.03450	0.4
59.01375	11.0
60.01724	0.2
61.98825	2.2
67.01891	0.2
71.01374	3.7
71.54399	0.3
72.99301	1.5
73.02946	0.8
75.00865	40.0
76.01214	0.3
78.95872	0.1
83.01380	0.5
85.02949	2.5
87.00871	2.5
87.04491	0.2
89.02441	1.5
93.03446	0.8
95.01398	0.2
96.95999	0.4
99.00867	0.6
101.02438	1.4
103.00400	1.0
105.01909	0.2
109.02962	0.2
111.00905	0.2
111.04505	0.2
113.02431	1.2
117.01959	1.1
117.03429	0.2
119.03439	0.2
119.05001	0.3
119.30514	0.2
121.02941	0.3
129.01935	8.1
130.02258	0.2
137.02463	0.3
145.02953	0.8
147.02980	2.4
147.04475	0.3
149.04506	0.3
149.06097	0.4
151.03976	0.2
161.02412	0.2
161.04556	0.2
165.04027	100.0
166.04347	2.2
173.04565	0.7
174.03186	0.3
175.02448	0.2
175.03903	0.4
179.03401	0.2
181.04970	0.3
183.13879	1.2
191.05588	2.8
193.04979	0.4
227.03764	0.2
233.03047	0.7
243.10271	0.3
249.06006	0.2
255.02977	0.3
256.03809	0.3
284.03275	0.5
285.04086	0.2
299.05664	0.4
371.25085	0.2
387.14432	0.8
397.15549	0.2
399.23816	3.0
400.24191	0.2
415.19580	0.3
417.25101	0.5
433.09293	0.4
450.61380	0.2
459.26248	1.1
487.12405	0.2
505.13614	0.4
651.28552	8.4
652.29034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1932
Annotation	Lethedioside B
Peak:m/z	Relative Intensity
55.01870	2.9
57.03436	9.8
59.01377	60.5
61.98812	2.5
67.01878	4.2
68.99786	4.1
69.01971	2.1
69.03431	6.5
69.39960	9.0
69.40385	6.2
71.01379	60.1
72.99306	16.2
73.02905	7.4
75.00481	3.2
75.00869	38.7
81.03391	2.4
83.01359	7.2
85.02949	50.6
87.00871	48.0
89.02439	22.1
93.03452	5.3
95.01384	12.2
96.95974	3.4
97.02893	4.2
99.00881	28.6
101.02406	7.0
103.00342	6.4
109.02904	2.9
111.00848	5.3
111.04503	2.3
113.02446	55.1
115.00325	4.6
117.01900	3.5
117.03389	4.1
119.05035	3.3
121.02946	2.2
125.02430	2.7
127.00391	2.0
129.01927	13.2
129.03448	1.9
130.99812	2.1
131.03465	3.5
133.04974	2.1
134.03677	8.3
135.02986	2.4
135.04442	3.5
137.02373	4.0
139.03972	2.0
142.35655	2.0
145.02866	9.2
147.02927	2.4
147.04453	5.0
149.04477	10.7
149.06000	3.2
150.03116	2.4
159.02878	3.3
160.01624	3.2
161.02383	7.6
163.03827	2.8
164.04735	2.6
165.03957	8.0
165.12610	2.2
173.04552	9.5
173.83240	2.0
174.03197	4.5
175.02412	6.0
175.03893	4.5
181.04976	2.6
191.03438	3.5
191.05521	6.2
191.07043	3.2
193.05031	17.6
202.02658	3.1
207.04950	3.3
209.06659	29.1
210.06892	2.2
223.07477	2.2
229.04973	2.5
235.05986	4.1
237.05438	4.6
241.05035	2.5
243.10001	3.6
249.03793	3.2
249.06129	40.9
250.06288	3.0
251.07001	4.3
253.08618	3.5
255.02834	2.9
264.04099	2.6
265.04840	3.4
267.02863	3.4
267.07175	87.6
268.07401	3.5
277.05460	7.3
278.05768	2.5
279.06494	7.7
282.05154	7.5
284.03195	3.5
293.07782	3.1
297.07489	8.5
298.08093	2.5
309.07504	4.9
309.10999	4.9
310.08313	3.2
312.09827	4.1
313.10339	3.1
322.04807	3.1
323.05453	3.9
324.06113	2.6
324.09598	2.6
337.06903	9.4
338.07758	4.4
339.08499	6.9
340.92117	2.2
341.06479	2.9
351.08237	3.3
352.09216	3.8
353.06418	8.7
353.10193	11.7
354.06967	3.8
356.08701	4.2
365.10052	2.3
368.08661	5.2
369.09726	4.4
371.11057	8.5
383.06708	2.7
383.11325	45.9
384.11847	4.6
387.23898	3.2
401.12024	4.6
445.14594	2.7
485.12842	10.8
503.15521	3.3
519.14551	5.0
594.88385	2.1
601.15308	5.9
603.16064	2.8
615.17096	6.3
621.18158	45.7
622.18115	6.1
633.08551	4.8
633.18250	71.3
634.19049	11.0
651.18817	100.0
651.28656	12.8
652.18933	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	651.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
62.53257	0.7
67.01888	1.6
69.36387	4.1
69.36816	2.2
71.01376	1.6
85.02939	3.4
87.00876	36.1
93.03455	10.4
107.04994	1.0
109.02876	1.1
111.04512	2.6
121.02966	4.6
122.03767	0.9
123.00787	1.6
123.04530	2.0
125.02417	1.4
130.99864	4.8
134.97433	0.9
135.04532	1.6
137.02423	4.6
138.03181	3.6
145.02916	2.9
146.03630	0.9
147.04507	8.1
149.02431	4.1
149.06056	1.9
150.03304	1.2
152.04785	1.0
153.05537	1.3
155.03487	2.1
159.04506	17.3
159.86668	0.8
160.05255	3.2
161.02432	6.9
161.06058	6.5
162.03197	3.2
163.04002	5.8
164.04785	8.8
165.05498	1.6
173.03104	1.3
173.04523	16.5
173.06015	4.0
174.03329	0.9
175.04001	18.2
176.04459	1.4
177.01909	1.7
179.07124	8.6
187.04002	1.8
188.04631	0.9
189.05569	1.1
190.02620	1.4
191.03505	2.7
191.05582	14.6
192.04193	0.8
192.05827	0.9
193.05072	1.0
203.03470	2.9
204.04205	1.6
205.04994	3.1
215.07043	1.5
219.02737	0.8
225.05534	7.6
227.07019	1.1
228.04100	1.2
235.02347	1.0
243.06485	1.5
249.07732	1.1
251.07098	2.0
253.05074	12.7
254.04152	1.1
255.04982	1.9
269.04416	2.0
269.08240	1.0
270.05197	1.4
271.06036	11.9
277.05035	1.1
279.03610	0.8
279.06549	2.2
281.04544	16.9
282.05023	2.1
283.09616	2.3
286.08450	9.7
287.09100	2.0
295.06192	2.2
296.06915	8.5
297.03967	3.8
297.07574	6.9
299.09201	1.5
301.10800	13.7
302.11136	1.3
305.04410	1.6
311.09238	6.5
312.06317	2.3
312.09937	5.3
313.07031	2.1
314.07910	1.0
323.05515	1.5
325.03558	1.2
325.07104	4.2
325.10635	1.5
326.08438	0.9
327.08633	13.6
327.12341	11.9
328.09311	3.6
329.10217	5.0
337.07181	1.2
338.07895	1.6
340.05804	2.4
343.11884	6.1
353.10333	5.5
355.08188	14.4
356.08508	2.0
371.11255	9.9
373.09253	1.2
387.10846	1.2
397.09232	8.5
399.07193	3.4
415.10162	3.9
417.08218	1.9
417.47913	0.9
423.07236	1.2
433.11337	35.1
434.11743	3.1
441.08289	6.5
459.09344	19.8
460.09464	2.4
477.10339	20.5
478.10413	2.5
500.32260	0.8
591.13434	1.7
615.13336	1.5
633.14581	6.3
651.15594	100.0
652.15948	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	651.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49148	1.1
59.01371	1.8
59.19590	1.0
63.47186	1.1
65.07011	0.9
66.22533	1.2
71.48447	1.1
85.02940	4.4
87.00869	64.8
88.01209	1.6
93.03444	7.1
95.05001	2.2
98.20679	1.9
101.67096	1.1
103.05554	1.4
104.11621	1.0
105.03433	1.7
107.05000	4.6
108.02201	1.2
111.04480	2.6
119.05025	3.0
120.26871	1.0
121.02148	1.8
121.02942	17.0
122.03735	8.8
123.04527	6.5
129.76019	1.0
130.27196	1.1
130.99850	20.9
135.04498	3.0
137.02426	4.5
141.52921	1.1
147.04512	18.9
148.01611	1.2
148.05211	3.1
149.02423	27.7
149.06082	6.7
150.03117	3.0
161.02307	1.2
163.04005	10.1
164.04776	57.3
165.05556	10.7
173.04532	2.6
177.01930	2.5
179.07115	59.8
180.07460	3.1
190.02716	8.4
191.03484	10.7
191.05574	19.9
192.04308	5.2
192.05791	1.1
193.05009	3.2
205.04997	13.0
207.02664	1.1
207.06567	2.6
225.05560	1.7
227.07092	3.4
242.09456	3.8
253.03174	2.5
253.05179	3.2
254.04288	12.1
257.11740	1.8
271.05981	2.9
283.09698	9.2
286.08408	5.3
301.10892	7.4
323.05551	2.3
327.08722	1.8
338.07867	1.5
354.07141	1.0
369.09576	2.1
371.11447	2.2
372.12177	1.1
373.09161	4.8
382.06671	1.7
397.09262	5.1
399.06879	1.7
415.10025	2.4
433.11337	85.0
434.11703	10.5
459.09268	46.7
460.09488	4.1
477.10300	15.7
478.10638	1.8
633.14716	1.5
651.15546	100.0
652.15851	17.1
657.15826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82915	0.8
57.03426	1.6
59.01384	5.0
61.98822	3.4
69.03448	1.3
71.01379	3.3
71.54305	0.9
73.02968	2.1
75.00885	2.3
75.85016	0.8
80.42733	1.0
85.02953	12.6
87.00875	35.8
89.02419	1.8
91.05519	2.9
93.03452	13.6
95.05016	1.3
96.96006	2.0
99.00864	1.9
101.02442	1.7
105.03439	2.7
107.05021	1.5
108.02164	1.5
109.02935	1.4
111.04503	2.0
113.02431	1.3
117.42808	0.8
119.05017	6.6
121.02953	51.1
122.03796	5.8
123.04529	8.8
129.01962	1.7
130.99867	12.0
134.03758	2.6
135.02840	1.0
135.04541	2.0
137.02412	4.2
139.03947	2.0
145.02922	2.9
146.03720	1.0
147.04510	22.4
148.01672	1.2
148.05254	3.6
149.02434	27.5
149.04485	2.1
149.06091	5.6
150.03209	5.6
151.03961	1.6
155.03462	1.7
161.02414	2.2
163.04007	15.8
164.04785	49.3
165.01872	1.3
165.04007	2.2
165.05490	10.4
166.02637	1.2
173.04562	7.7
173.05934	1.5
174.03218	1.4
175.03902	2.1
176.01126	1.8
177.01904	1.8
179.07127	57.2
180.07501	1.9
185.00923	1.1
190.02707	3.1
190.99808	1.1
191.01974	1.5
191.03505	9.9
191.05588	28.5
191.07188	1.0
192.04271	5.4
192.05753	1.0
193.05019	2.5
195.06630	1.1
205.01508	1.1
205.05087	5.4
207.06616	3.2
209.04518	1.5
218.02084	1.0
223.05974	1.7
225.05678	1.1
227.03537	1.9
240.04262	1.0
253.05121	1.9
254.04228	3.9
255.02847	2.5
256.03510	1.5
257.04581	1.2
271.06354	1.3
283.02512	1.7
283.09793	1.8
284.03232	7.0
285.03961	2.1
286.08389	1.4
297.03879	4.7
299.05521	4.5
300.02570	2.0
301.10767	1.9
312.06400	5.6
327.08649	6.3
328.09305	1.0
333.09821	2.4
338.08319	1.2
343.11758	2.2
371.10992	2.1
373.09177	6.3
389.12317	1.0
397.09332	3.6
399.07190	1.7
403.13812	3.2
423.07251	1.2
433.11328	32.0
434.11481	2.2
459.09317	16.2
460.09705	2.0
477.10361	56.6
477.16888	2.0
478.10803	6.3
519.15076	1.4
591.13751	1.9
633.14386	2.5
651.15564	100.0
652.15894	14.6
668.54578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21220	0.2
59.01376	1.0
61.98825	100.0
70.81446	0.2
71.01360	0.8
83.27198	0.3
87.00871	11.0
88.01217	0.8
88.98840	0.3
91.92057	0.2
93.33308	0.2
101.02396	0.3
130.99872	2.8
132.00201	0.5
137.02423	0.5
147.04469	0.3
148.59755	0.2
159.04468	1.2
163.04050	0.2
169.06618	0.4
171.04558	0.8
172.05293	3.9
173.06010	0.5
174.03157	0.3
175.03792	0.2
180.09691	0.2
185.06166	0.3
186.06900	0.9
187.07617	3.3
189.02032	0.3
189.78410	0.3
190.02600	0.3
192.03944	0.2
197.06114	0.6
199.04056	0.3
200.04790	2.4
203.07224	0.4
215.07097	25.2
216.07361	1.1
217.05055	0.2
227.07210	0.4
228.04324	0.3
243.06578	1.9
247.09796	0.4
255.06638	0.7
259.06195	0.4
268.03812	0.3
284.03204	1.6
299.05490	1.1
311.05341	0.3
324.02832	0.7
332.06628	0.2
339.05029	2.6
360.06439	0.5
375.05200	0.3
376.05682	1.1
377.06476	0.5
405.06042	0.5
419.07840	0.8
420.08194	1.7
421.08652	0.5
465.10046	0.4
521.53326	0.2
522.09814	0.6
537.11951	2.1
538.12323	0.4
555.12811	1.8
556.13757	0.4
590.14136	0.3
649.40796	0.5
650.15826	4.2
651.16235	0.5
663.09790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03393	1.2
59.01361	3.9
67.01881	1.1
69.17311	4.8
69.17729	7.0
71.01346	2.6
73.02941	1.3
85.02943	8.3
87.00874	58.3
89.02417	1.7
91.05515	2.6
93.03461	14.5
95.04981	1.8
98.20610	1.7
101.02438	1.1
105.03451	4.2
107.05033	2.5
108.02161	2.1
111.04494	2.1
119.05025	4.4
121.02953	64.0
122.03831	5.5
123.04529	7.0
125.02440	1.0
130.99857	17.7
134.03755	2.3
135.04504	2.7
137.02444	6.7
139.03961	2.0
147.04512	21.8
148.01579	1.1
148.05220	3.7
149.02426	25.7
149.04782	1.8
149.06012	7.7
150.03177	4.0
151.03989	1.7
155.03506	1.6
161.02431	2.6
163.03972	12.7
164.04787	54.4
165.02022	1.3
165.04060	2.3
165.05495	12.0
173.04523	9.8
175.03951	1.7
176.01147	1.5
177.01936	2.1
179.07127	62.9
180.07443	3.3
189.02032	1.5
190.02747	5.9
190.99815	1.6
191.03499	10.5
191.05582	23.0
192.04324	7.9
193.05031	3.8
195.06567	1.1
205.05060	11.0
207.02922	1.1
207.06546	2.0
225.05542	1.4
227.07059	4.1
242.09450	2.1
253.03165	2.3
253.05206	3.4
254.04303	10.6
271.06137	2.0
283.09756	7.4
284.03235	2.2
286.08405	3.6
297.03909	4.0
299.05447	2.1
300.02771	4.2
301.10712	5.9
312.06320	4.6
315.05002	4.2
323.05713	1.1
327.08636	4.5
339.05054	1.1
343.27463	1.1
355.08359	1.1
369.09747	2.0
371.11139	2.9
373.08990	7.8
375.35440	1.3
397.09155	4.7
433.11362	80.5
434.11758	8.4
459.09299	40.1
460.09610	4.7
477.10385	25.1
478.10797	2.3
633.14215	2.3
651.15601	100.0
652.15918	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	650.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
61.98828	100.0
64.92118	0.3
70.54374	1.1
71.01392	1.1
73.02980	0.4
78.95947	0.4
85.02970	0.7
87.00874	10.0
88.01222	1.1
89.02472	0.4
99.00946	0.4
113.02410	0.3
130.99872	2.4
132.00229	0.6
137.02464	1.0
139.00331	0.4
145.32726	0.3
146.03723	0.4
147.04501	0.5
148.05409	0.3
149.06113	0.5
158.03760	0.4
159.04559	2.7
169.06604	0.6
171.04565	0.9
172.05299	5.7
173.06032	0.6
175.04088	0.6
185.06119	0.7
186.03171	0.4
186.06889	1.2
187.04024	0.4
187.07622	4.7
189.05612	0.6
191.03488	0.4
197.06142	0.6
199.03989	0.4
200.04787	3.8
201.05452	0.4
203.07059	0.4
209.80992	0.4
214.02740	0.5
215.07118	35.5
216.07494	1.7
226.06502	0.3
230.02321	0.5
243.06567	2.5
244.07060	0.4
254.05859	0.4
255.06586	0.8
259.06219	0.8
261.03772	0.3
280.03641	0.4
284.03204	1.8
285.03870	0.4
299.05499	2.4
324.02890	1.2
339.05087	3.3
360.06601	0.7
376.05673	0.8
377.06464	0.5
393.56512	0.3
406.06693	0.5
410.71747	0.4
419.07938	0.4
420.08377	1.0
420.57886	0.3
421.09009	0.7
465.09943	0.8
522.10107	0.9
537.11810	4.0
538.12305	0.7
555.13055	2.4
556.13654	0.5
569.24341	0.4
645.74854	0.4
649.39606	0.5
650.15747	3.2
651.16150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03446	3.6
59.01375	10.2
59.72493	0.7
61.98825	2.8
67.01889	1.3
69.03461	1.0
70.75292	0.7
71.01389	6.1
71.54272	1.0
72.41964	0.7
72.99305	1.4
73.02940	1.9
75.00868	15.2
81.03456	1.4
82.32351	0.6
83.01365	1.7
83.05033	3.9
85.02937	6.2
87.00874	4.9
87.19321	0.8
89.02459	1.9
93.03456	13.4
96.96021	4.6
97.06591	1.2
99.00862	1.7
101.02441	2.0
104.65510	0.7
107.09213	0.7
109.02946	1.4
111.00903	0.7
111.04510	8.3
112.00629	0.7
113.02453	2.8
113.09758	1.2
119.05013	1.3
127.04009	2.7
127.11237	0.8
129.01929	3.8
131.03555	0.8
135.04489	0.8
137.02467	2.6
137.68134	0.7
139.11313	0.9
145.02977	1.2
149.04565	1.2
149.06088	0.9
155.03484	11.1
161.02481	1.1
165.04034	37.4
166.04391	1.4
173.04536	22.8
174.04825	0.9
191.05620	7.3
193.04974	1.7
221.19083	31.9
222.19460	2.5
237.18672	0.8
239.20200	3.1
249.06029	1.3
253.08455	0.7
257.21341	1.0
265.11978	0.6
265.18076	21.5
266.18546	1.5
266.46707	0.8
267.07211	0.9
269.04440	1.2
276.64725	0.7
281.04248	0.8
283.19135	25.7
284.03482	1.7
284.19415	1.9
285.03864	0.8
299.05667	1.3
301.20178	83.4
302.20569	7.5
325.14798	0.8
475.25488	24.5
476.25946	2.2
517.19495	0.9
524.61688	0.7
530.66138	0.7
545.13361	0.9
631.29889	0.8
649.30878	100.0
650.31329	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	649.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04047	1.5
56.91979	1.5
59.01378	15.1
61.98829	4.0
71.01376	6.7
73.02941	1.5
75.00873	2.7
81.38287	1.4
85.02953	4.3
87.00872	100.0
88.01207	2.9
89.02453	3.9
96.95995	2.1
98.19844	2.5
99.00880	2.9
101.02439	3.7
106.47063	1.4
107.41242	1.2
113.02409	2.9
121.02970	2.4
122.03748	1.6
130.99860	30.3
135.04543	2.3
137.02469	7.0
146.03741	1.7
147.04510	6.6
148.05292	3.2
149.02475	11.5
149.04521	4.2
149.06041	4.5
152.09732	1.3
159.04402	1.8
161.02415	1.8
162.03233	2.7
163.03992	24.6
164.04779	36.7
171.10289	7.2
173.02242	1.6
173.04582	2.1
175.07591	1.6
177.05550	2.9
179.03404	2.2
184.56075	1.3
185.00838	1.8
187.07588	1.6
189.09262	1.9
190.02711	3.2
190.99860	2.3
191.03506	4.8
191.07121	1.7
192.04289	3.4
193.05093	2.8
201.09187	1.7
203.07037	1.8
208.03758	7.8
209.11873	6.4
211.13338	1.6
215.07210	2.1
217.08723	2.2
219.06601	4.2
220.07339	7.8
226.31081	1.3
236.03223	2.8
243.10321	3.9
252.02733	35.1
252.05273	2.2
253.03033	2.2
261.11282	2.6
283.02505	2.1
284.03183	11.1
287.09177	4.2
299.02441	1.7
299.05478	7.9
305.10257	2.8
349.09357	9.3
350.09982	5.2
353.10162	2.0
380.12927	1.6
405.05948	2.5
419.07562	1.5
420.08179	3.9
445.09521	1.6
459.10876	5.5
485.12857	1.7
502.12247	3.3
508.89780	1.6
517.15051	8.4
518.15546	1.6
533.85242	1.7
559.15930	2.4
587.15369	5.5
589.13202	3.3
605.35876	6.7
649.15619	43.3
649.28320	5.3
650.16467	7.2
650.27136	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	649.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03452	3.4
59.01380	9.7
60.99299	1.1
61.87032	0.7
61.98816	2.9
67.01885	5.2
69.03468	1.3
71.01376	8.8
72.99309	1.5
73.02943	2.4
74.83835	0.7
75.00870	13.7
81.03452	2.0
83.01385	0.9
83.05021	2.8
85.02952	5.1
87.00877	6.9
89.02434	2.2
93.03456	43.0
94.03785	0.8
95.01382	1.1
96.96007	2.4
99.00883	2.0
99.04517	0.8
101.02437	3.0
105.01924	1.6
108.02190	0.7
109.02943	2.8
111.00881	1.4
111.04508	12.0
113.02418	3.7
117.03484	1.2
125.02316	0.8
127.03966	1.2
129.01956	3.7
130.99812	0.9
134.03839	0.8
135.03000	2.4
137.02438	10.7
145.02927	1.7
147.03004	1.6
147.04507	1.7
149.04613	0.9
149.06059	2.8
155.03496	10.9
159.04482	1.1
161.02396	0.9
163.04042	1.0
165.04028	35.8
173.04539	89.9
174.04872	3.3
191.01936	1.2
191.05623	3.6
193.05089	2.2
221.19090	17.3
227.03412	1.2
239.20131	1.4
249.06075	1.2
255.02933	1.4
265.18063	9.8
267.07266	1.4
283.19168	15.0
284.03378	2.7
284.19537	0.9
295.13330	1.9
299.05594	1.3
301.20187	44.1
302.20593	3.4
339.12341	2.0
387.09131	0.7
457.24139	0.7
475.25467	23.3
476.25958	3.3
569.29376	0.8
573.11792	0.9
631.30066	1.3
649.21924	4.1
649.30835	100.0
650.20587	1.2
650.31134	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	649.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63892	0.2
59.01361	1.7
61.23073	0.2
61.98828	0.6
64.90825	0.2
69.55632	0.4
69.56035	1.0
70.44559	0.2
71.01376	0.7
73.02939	0.5
85.02950	0.7
87.00872	100.0
88.01212	1.2
88.98783	0.2
89.02415	0.3
92.92449	0.2
93.03458	0.4
97.68815	0.2
100.26692	0.2
101.02464	0.2
111.00880	0.3
113.02452	0.4
121.02992	0.2
124.01635	0.2
130.99857	30.5
132.00175	0.5
135.04582	0.4
137.02435	1.2
144.54448	0.2
145.02921	0.6
147.04536	0.8
148.05344	0.2
149.02449	1.9
149.06064	0.4
161.02428	0.2
161.45949	0.2
162.03207	0.3
163.04004	5.4
164.04790	5.4
173.04529	0.2
175.07611	0.3
176.04762	0.2
179.03345	0.3
188.11311	0.3
189.01921	0.2
190.02707	0.9
190.99843	0.3
191.03426	0.4
192.04228	0.4
207.02888	0.3
208.03745	1.8
219.06702	0.3
243.10252	0.5
245.08328	0.2
252.02760	3.9
261.11362	0.8
283.02530	0.3
284.03116	1.0
299.02383	0.2
299.05566	1.2
305.10330	0.8
306.55377	0.2
331.43649	0.2
349.09314	1.1
350.10187	0.4
375.05099	0.3
376.06000	0.3
377.06647	0.4
405.05939	1.0
419.07782	0.4
420.08386	2.9
421.09012	0.3
431.07632	0.3
498.71677	0.3
514.78503	0.2
552.09143	0.3
587.14862	0.3
605.35614	0.3
649.15692	2.4
650.16046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79935	1.5
51.84815	1.5
59.01377	16.6
61.65113	1.4
67.01867	2.2
69.30099	3.7
69.30511	10.4
71.01379	5.6
73.02947	23.5
75.00874	9.4
79.05516	2.5
83.01368	2.3
85.02953	9.3
87.00877	6.5
89.02441	4.0
90.56502	1.7
91.05540	4.9
93.03457	24.8
95.05040	3.1
97.06585	5.5
99.00873	2.3
101.02429	4.7
103.05534	4.9
105.03438	6.3
108.02158	3.5
111.04495	4.2
113.02452	4.1
114.25153	1.9
117.01917	3.3
117.03499	2.3
119.05006	8.0
121.02933	13.1
122.03707	2.0
128.47166	1.6
129.01935	3.8
132.05331	2.0
133.02812	2.0
137.02463	11.7
139.03995	3.4
145.02904	6.6
146.03690	7.3
147.04520	79.4
148.05316	10.4
149.06114	10.8
155.03497	3.6
155.20186	1.6
158.03789	2.6
159.04431	2.6
161.02446	10.3
164.04669	1.6
165.04037	19.4
172.05249	3.8
173.04536	14.1
175.04007	2.0
176.04782	4.6
187.03973	1.9
187.07555	4.5
191.03491	24.1
191.05563	11.5
192.04271	10.6
193.05028	5.9
195.38467	1.9
200.04718	6.2
214.09975	2.0
215.07141	26.3
215.10518	4.0
216.07779	4.4
216.10881	3.2
219.02966	3.7
232.03790	1.7
233.08168	7.7
234.01653	3.4
243.10214	3.0
244.10519	3.4
245.11810	7.2
289.10782	14.1
298.04846	2.1
301.20032	2.3
313.07022	4.8
327.21582	2.5
331.08148	3.2
332.08395	2.2
333.09778	100.0
334.10107	6.9
401.25409	3.0
475.25711	2.2
631.21185	2.1
649.20648	3.0
649.30640	44.2
650.30780	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	649.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16900	0.7
59.01385	4.3
61.98829	6.9
70.11582	0.8
71.01357	1.6
71.13792	1.9
78.95901	0.9
79.96909	0.7
83.51788	0.8
87.00873	56.3
93.44952	0.8
101.02411	1.0
108.02171	0.8
109.02903	1.8
121.02881	1.2
130.99864	14.7
135.04469	1.0
137.02437	5.5
145.02924	1.4
147.04541	1.1
159.04459	1.1
161.02420	1.6
162.03088	1.0
163.03966	2.2
164.01085	2.0
165.99004	1.3
175.03952	2.0
189.01904	3.2
190.02676	3.0
190.99796	3.5
191.03450	2.0
207.02885	0.8
211.03969	1.5
215.06990	1.5
231.07904	0.7
240.03975	1.3
253.04974	1.0
254.05829	0.8
255.02983	1.0
275.07257	0.7
282.05383	1.9
283.02496	1.9
284.03223	8.2
284.06177	1.2
285.03772	0.9
288.07742	1.0
298.04752	2.4
299.05518	10.2
307.06046	1.2
319.05988	4.0
320.06693	1.9
331.05835	1.7
332.06656	3.0
345.07327	1.0
347.05624	2.0
348.06027	1.1
349.06653	0.9
357.24606	0.9
359.05539	1.1
374.04425	1.2
375.05032	26.8
376.01227	1.4
376.05801	21.3
377.06369	2.4
387.04999	1.1
390.07407	3.1
391.08081	1.5
401.06369	1.9
402.07407	1.3
403.04355	1.7
404.05246	11.2
405.05811	4.7
415.04358	2.8
416.04947	1.1
419.07672	39.2
420.08328	9.4
421.08899	1.2
430.06198	1.3
430.11172	1.2
431.07565	2.6
445.08981	3.2
446.10196	1.0
452.07047	1.0
461.08609	2.4
462.09592	2.2
490.08945	1.2
502.12558	7.7
513.11969	2.2
517.14984	8.0
518.15588	1.6
527.13538	1.6
544.13739	2.3
552.08765	1.0
559.16180	5.0
572.13409	1.3
587.15558	7.6
588.15753	1.8
589.13635	6.3
590.13690	1.4
605.16565	2.7
631.14740	1.1
649.15515	100.0
649.71985	2.0
650.15771	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	647.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65394	0.5
57.03432	1.5
59.01375	8.1
59.49553	0.6
61.98805	2.4
67.01873	2.0
68.99791	2.3
69.03438	1.8
69.82053	0.6
71.01368	6.9
71.54207	0.6
71.54591	0.8
72.99297	0.6
73.02941	3.1
73.81850	0.6
74.02558	0.6
75.00858	2.2
83.01371	1.5
83.05011	1.2
85.02941	10.8
87.00865	12.2
89.02422	2.2
91.04004	0.7
93.03440	1.7
95.01360	2.0
96.95990	1.0
97.06595	0.8
99.00841	0.8
99.04545	0.5
101.02417	1.8
102.24503	0.5
105.03494	0.6
109.02939	0.7
111.00853	2.1
113.02445	7.6
117.03377	0.5
119.04999	0.7
121.02927	2.3
122.03736	0.9
123.04510	0.7
123.08167	1.4
125.02395	0.7
125.09694	3.5
129.01923	1.2
130.99857	3.9
131.03552	0.5
137.02406	2.0
137.09673	1.6
139.00336	1.5
145.02914	0.9
147.04498	5.2
148.05270	1.3
149.05934	1.7
153.01918	0.6
153.09175	1.0
155.10806	0.7
159.04449	1.2
160.01595	0.6
163.03888	0.9
165.04007	2.4
165.12773	2.7
167.14377	0.9
171.10240	7.0
172.05153	0.6
173.04510	0.9
173.06004	0.7
180.95839	0.6
185.06071	0.7
187.07722	0.8
187.09793	0.6
189.03918	0.8
190.99855	0.7
191.03490	1.3
192.04156	1.5
193.04939	1.4
195.13847	1.0
197.06163	0.6
199.03854	0.7
199.07637	1.6
200.08308	0.6
201.09192	0.8
205.07156	0.7
209.11842	1.4
211.13438	0.9
213.05389	0.7
214.06207	1.4
215.07117	1.0
217.01328	0.7
218.02139	0.9
219.02757	1.2
221.11700	0.5
225.09122	0.9
227.03317	0.6
227.12794	1.3
229.08537	1.0
239.12877	1.7
243.10269	4.1
254.04253	1.1
259.09735	0.8
263.07648	5.5
284.03214	1.8
287.09531	1.3
299.05350	1.4
300.02728	2.7
313.03494	1.7
315.05136	2.7
317.03033	1.0
321.24277	2.8
333.05969	1.0
337.23743	1.2
339.25357	6.5
340.25726	0.7
347.22205	1.2
365.23279	5.1
383.24335	49.9
384.24710	4.7
446.09320	0.6
541.14624	0.8
559.15741	2.7
603.34094	1.1
615.30206	1.0
616.24371	0.7
624.73932	0.9
646.73126	2.6
647.32751	100.0
648.33130	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	649.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01366	1.4
59.90969	0.4
70.06823	1.7
70.07197	0.9
71.01378	1.3
72.99252	0.4
73.02927	0.6
79.92981	0.4
81.03471	0.6
83.05034	1.1
84.97549	0.4
85.02950	4.8
87.00874	1.6
89.02460	0.7
91.83668	0.4
93.03461	6.1
96.96003	1.2
97.03056	0.4
98.90367	0.4
101.02391	0.5
109.02935	1.2
111.04514	3.0
113.02460	0.5
119.05040	2.3
121.02942	2.3
123.00882	1.0
124.01646	3.1
125.02445	2.7
127.03990	1.3
129.01942	1.3
135.04477	0.5
137.02432	2.5
138.03201	1.5
138.04208	0.4
139.04012	2.3
145.02957	1.2
146.03723	4.0
147.04535	3.5
149.06062	0.6
153.01907	1.1
153.05583	0.7
155.03494	4.3
159.04485	0.9
161.02412	1.2
162.03276	0.7
163.03976	3.4
164.04662	0.6
171.04689	0.4
173.02406	1.0
173.04544	13.7
173.06055	0.8
174.03227	1.3
175.03990	13.7
175.05521	0.7
176.04779	8.8
177.01912	0.9
177.05467	0.8
179.03474	0.7
181.05173	0.6
187.04044	0.6
188.04778	6.9
189.05568	15.7
190.05917	0.7
191.03792	1.0
191.05597	18.6
208.60645	0.5
209.03018	0.5
224.04790	1.7
225.05489	3.6
228.04311	0.6
241.05084	0.7
242.05734	0.7
243.06508	0.8
249.05734	0.6
252.04221	1.0
253.05025	5.1
254.05728	1.8
255.03058	0.7
256.03696	2.1
257.08154	0.6
267.06604	6.1
268.07257	0.5
269.04541	3.3
269.07986	0.6
270.05295	11.0
271.06076	4.5
277.05032	0.7
281.04486	0.6
283.05698	0.4
284.06937	1.4
285.07718	6.8
286.08493	3.2
293.12158	1.0
295.06027	5.1
295.08994	0.5
296.03418	0.7
296.06305	0.7
297.04044	1.1
298.04819	1.1
299.09082	0.7
301.10748	1.3
310.08429	1.6
311.05432	0.8
312.06244	1.5
313.07184	13.5
314.07547	1.0
325.07169	1.0
325.10797	1.7
326.07953	2.4
327.08734	3.6
328.09506	14.5
329.09778	1.2
339.05115	0.8
341.10379	2.6
342.10629	0.9
343.11841	100.0
344.12207	8.2
353.08899	0.4
354.07428	1.4
369.09747	11.0
370.10138	1.2
387.05826	1.0
387.10834	19.4
388.11151	2.0
432.08597	0.6
561.16211	3.6
596.93793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.5
61.98820	2.8
71.01384	5.6
71.54688	2.9
73.02950	2.9
75.00875	5.3
83.05039	2.3
85.02966	6.5
87.00896	5.0
89.02450	2.5
93.03458	5.2
96.96041	3.3
97.06590	18.7
99.00916	1.6
101.02435	1.7
111.04518	3.4
113.02448	3.8
113.06118	4.6
117.03471	19.4
130.04239	19.5
131.05026	26.0
132.05353	1.6
133.02980	2.9
133.35052	1.9
134.23761	1.4
135.03012	2.1
137.02423	1.9
140.01163	1.7
143.04988	1.9
145.02954	95.4
146.03738	100.0
147.04425	6.4
149.06100	6.7
155.03508	5.1
158.03726	93.6
159.04520	15.5
161.02451	5.0
163.56560	1.5
165.04024	6.4
165.99097	5.4
172.05252	4.7
173.02444	4.2
173.04544	6.5
173.05922	1.7
174.03146	2.2
175.03975	8.1
181.01442	2.2
186.03195	3.2
187.07640	1.7
189.01985	8.9
190.02682	6.9
191.05614	3.0
193.05046	1.6
196.05180	2.6
197.09750	2.6
199.07751	1.9
200.08443	1.9
208.91817	1.5
213.05446	1.8
214.09998	71.6
215.07347	3.2
215.10742	73.0
216.11055	4.9
225.09230	3.5
227.03561	2.1
227.07114	2.7
234.01695	50.3
235.01999	4.5
241.08719	2.8
243.10248	76.3
244.10547	5.1
263.06616	2.0
270.01550	2.5
271.02625	2.4
271.05945	3.3
272.03265	3.4
284.03305	2.8
285.03976	2.7
287.09256	3.7
298.01096	3.2
313.03543	9.1
314.04266	1.7
316.02255	2.3
331.04614	7.8
331.08188	84.3
332.08594	7.7
357.06082	7.1
359.12897	1.7
362.07678	1.9
399.23950	2.4
473.26184	2.1
510.41757	2.0
511.85168	1.7
611.12268	2.0
647.31299	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	645.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61167	0.8
51.02365	1.1
52.28587	1.0
55.01872	4.6
58.56741	0.8
59.01377	40.1
61.98820	3.7
63.66956	0.7
67.01889	2.0
69.03452	100.0
70.03772	1.9
71.01381	16.3
71.53981	1.0
71.54392	1.4
72.99303	4.1
73.02945	10.5
74.96471	0.8
75.00878	3.0
79.01882	7.1
79.95751	0.8
82.38923	0.7
83.01382	4.1
85.02940	7.1
87.00887	6.8
89.02431	3.7
93.03461	5.5
95.01409	4.0
95.04991	0.9
96.96011	8.9
97.02946	31.3
97.06583	1.1
99.00272	1.6
99.00879	24.2
101.02429	12.6
104.06001	0.7
111.00876	1.8
111.04515	1.3
113.02442	5.5
115.00373	1.7
119.03498	2.8
119.05007	4.7
121.02938	1.4
123.00875	2.5
125.02412	1.5
129.01978	1.3
131.03455	1.6
134.03769	1.0
135.03015	1.0
137.02422	2.3
141.01936	12.6
143.03525	1.9
145.02911	4.4
147.04488	1.4
149.04515	4.2
149.05946	1.0
155.03529	1.1
159.02940	1.2
161.02399	1.5
161.04567	7.1
163.04005	3.5
165.01883	2.6
165.04039	2.7
167.03506	0.8
173.04543	14.7
180.04338	1.3
185.00903	98.0
186.01241	3.0
191.05598	2.5
193.05003	1.9
195.06648	1.6
203.01959	73.7
204.02347	1.5
221.06627	3.4
225.07700	2.0
284.03156	1.0
299.05576	1.1
304.96036	1.0
307.08395	0.8
315.04871	1.0
316.27740	1.0
374.91251	1.1
415.23376	3.2
471.12726	3.8
645.23688	8.1
646.24371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67052	0.1
54.76369	0.1
59.01343	0.5
61.98792	0.2
71.01350	0.4
75.51354	0.1
83.01347	0.1
85.02908	0.5
87.00847	0.4
89.02457	0.3
98.07915	0.1
99.00829	0.2
121.02948	0.2
125.02374	0.2
148.01660	1.3
149.02390	0.2
149.04588	0.2
163.00308	0.3
172.05264	0.4
173.04498	0.3
179.85497	0.1
183.04439	0.2
190.99818	1.4
191.05606	0.2
192.00594	0.3
199.03990	0.7
200.04710	0.7
203.03423	0.2
211.03993	0.4
215.03398	0.3
216.04231	0.9
226.02583	0.6
227.03482	1.4
228.04193	0.5
239.03334	0.4
243.02898	1.0
244.03749	1.6
254.02087	0.2
255.02910	1.7
256.01212	0.3
256.03711	3.1
257.04028	0.2
271.02441	1.8
272.03000	0.4
282.01865	0.3
283.02423	0.3
284.03235	0.2
293.08752	0.2
299.01947	2.9
300.02710	57.5
301.03055	4.2
314.04245	0.3
315.05066	100.0
316.05389	7.3
357.06119	0.4
360.04623	0.2
370.38440	0.1
609.14520	2.0
610.15063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98825	100.0
69.03439	0.3
69.45409	0.8
71.01376	0.6
75.00858	0.2
85.02922	0.7
87.00864	0.3
88.42165	0.1
88.98788	0.2
93.03465	0.6
96.96008	0.1
97.02973	0.2
98.19968	0.4
99.00877	0.3
101.02418	0.2
113.02445	0.2
119.05050	0.2
120.92415	0.1
125.02448	0.2
134.03716	0.3
141.29878	0.1
145.02966	0.2
147.04604	0.2
149.06032	0.2
151.00374	0.1
156.74266	0.2
161.02446	0.2
163.03978	0.2
173.04535	1.1
185.00821	0.2
191.05650	0.3
193.05008	0.2
203.02010	0.4
227.03532	0.3
255.02960	0.4
256.03610	0.3
271.09680	0.2
284.03189	0.8
285.04050	0.4
285.12445	0.3
286.12793	0.3
303.16156	0.2
319.20383	0.2
642.21655	0.2
643.11859	0.1
643.22510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03445	12.4
59.01375	8.9
61.65063	0.5
67.01893	2.0
68.99814	1.0
69.15926	6.2
71.01376	4.9
72.99295	1.3
73.02954	0.6
75.00871	2.3
78.04127	0.5
83.01385	2.1
84.02161	3.3
85.02948	100.0
86.03292	1.6
87.00877	2.1
89.02437	1.6
93.03423	1.4
101.02444	1.5
103.00378	1.7
106.73596	0.6
107.04998	0.9
109.02960	0.9
111.00866	1.1
113.02425	0.9
115.00368	1.0
117.03439	3.7
118.34869	0.6
119.03529	0.7
119.05017	3.2
122.45943	0.5
125.02409	0.7
129.01939	13.7
133.06564	0.8
135.03163	0.6
135.16425	0.6
137.81305	0.6
143.05005	4.9
145.02919	1.3
147.01836	1.4
147.02995	22.0
156.05821	1.8
157.06595	1.4
159.04491	3.5
165.05553	0.6
173.00925	0.9
173.04515	1.2
173.88942	0.6
175.07663	0.8
177.05579	1.7
183.04485	0.8
183.08012	0.9
184.05261	4.6
185.06073	13.7
191.01968	72.4
192.02348	1.6
199.07709	2.0
209.03012	4.7
209.06168	1.0
211.04074	0.6
221.04527	2.0
227.07118	40.9
228.07530	2.3
245.08211	1.2
245.15616	0.7
253.04993	0.7
294.12064	0.7
301.11514	1.0
366.84143	0.6
388.66840	0.7
451.12460	11.6
452.12320	0.8
600.50909	0.6
625.13831	0.8
643.14758	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	642.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98829	100.0
63.02408	0.3
65.00304	0.3
70.91340	0.6
72.56768	0.4
83.01400	0.3
84.92794	0.3
85.02965	0.5
87.00880	0.6
89.02432	0.4
93.03487	0.3
101.72813	0.3
107.01401	0.4
108.02209	0.3
114.36182	0.3
125.02429	0.3
128.80969	0.3
135.00835	0.5
147.04478	0.5
149.02664	0.3
149.06038	0.4
151.00357	1.3
152.21838	0.3
155.93582	0.3
156.88193	0.3
163.00398	0.5
163.03973	0.5
164.01231	0.3
173.04486	0.8
178.99878	0.7
183.04483	0.3
191.05559	0.3
193.05069	0.3
199.34613	0.3
227.03482	17.8
228.03880	0.6
229.05000	1.4
246.58145	0.3
251.17871	0.3
255.02969	31.9
256.03549	4.0
257.04645	1.5
283.02475	0.5
284.03247	47.1
285.03961	18.0
286.04413	1.3
579.13525	67.6
580.13892	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	640.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35994	0.2
57.03450	0.8
59.01377	2.9
61.98829	100.0
62.42247	0.3
67.01891	0.3
69.03442	0.5
71.01371	1.3
71.54588	0.3
72.06470	0.3
72.99330	0.4
73.02963	0.5
75.00867	0.8
83.01391	0.3
85.02962	1.9
87.00874	1.6
88.98823	0.7
89.02426	0.4
93.03462	0.6
93.85155	0.2
95.01386	0.4
99.00882	0.4
101.02464	0.8
113.02462	1.4
121.97921	0.3
133.05020	0.3
137.02415	0.5
139.00322	0.3
143.05034	0.6
145.02960	0.6
147.04573	0.6
149.06064	0.6
152.01225	0.3
155.03706	0.3
163.04091	0.5
171.04514	6.9
172.04871	0.4
173.04579	0.9
183.13927	1.3
187.04022	0.4
189.05606	0.7
191.05698	0.4
199.04022	1.0
214.02672	0.6
215.03583	0.8
217.05083	0.7
227.03500	5.1
228.03535	0.3
243.02968	0.7
243.15674	0.3
255.03017	0.7
267.07410	0.3
268.03729	0.5
270.01807	0.4
271.02466	0.6
283.02533	0.9
284.03275	0.6
298.01273	2.2
298.04364	0.5
299.01947	7.1
299.05026	0.4
300.02588	0.7
313.03540	4.3
313.06824	0.5
314.04306	18.6
315.04642	1.4
328.05832	2.5
329.06650	34.5
330.07013	2.6
371.07715	7.7
372.08170	0.6
375.27536	5.2
376.27808	1.6
389.25378	0.3
391.26801	0.4
424.58307	0.3
432.51529	0.3
451.83691	0.3
478.20044	0.7
580.23303	0.5
598.09015	0.3
639.25745	0.4
639.35956	5.1
640.25781	0.8
640.36395	2.6
664.30743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
57.70441	0.7
59.01381	20.9
61.29926	0.7
61.98816	1.6
67.01884	3.0
69.03454	1.0
71.01386	3.1
71.54044	1.0
72.99305	0.7
73.02956	0.8
75.00866	1.5
83.05032	2.2
85.02955	5.2
87.00881	4.5
89.02432	1.1
93.03451	17.1
94.03806	0.7
96.96025	1.2
101.02454	1.5
109.02995	1.2
111.00878	1.7
111.04515	7.2
113.02469	1.7
120.05774	0.7
121.02959	2.3
123.00887	1.9
125.02443	0.8
127.04012	1.7
129.01886	2.2
135.04526	1.7
136.01672	0.9
137.02434	6.3
147.04480	1.5
149.02440	9.7
149.05971	1.4
150.03185	1.4
151.00368	24.8
151.04028	1.9
152.00946	0.8
155.03517	8.3
163.04015	0.9
164.04810	9.4
165.01923	31.8
165.04080	1.4
165.05574	2.7
166.02710	66.4
167.03081	2.2
173.04546	63.9
174.04820	1.5
179.03520	5.0
179.07111	9.3
180.04282	23.6
181.05063	100.0
182.05356	3.8
191.05591	19.5
193.05127	1.2
195.06635	30.3
196.06981	1.0
209.03020	0.8
210.05281	5.0
211.04109	0.9
211.06061	9.5
223.06094	2.1
225.07677	17.6
233.06613	6.7
241.05017	0.9
241.07181	1.5
271.02524	0.8
277.72238	0.7
284.03506	0.9
299.05823	1.1
329.06680	0.9
344.09106	1.1
347.07550	4.0
359.11334	2.4
419.13315	3.5
420.14087	0.9
449.14594	2.0
467.15573	91.2
468.15884	8.2
524.02777	0.9
602.31543	0.9
641.20984	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	639.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03440	2.3
58.00572	0.6
59.01379	12.2
61.98814	0.9
68.99805	2.0
69.03433	1.1
70.66035	2.0
71.01379	15.7
71.84342	0.6
72.99306	4.3
73.02929	2.0
75.00864	10.6
77.17522	0.6
81.03458	1.3
83.01373	1.5
85.02950	14.2
87.00873	8.9
89.02460	3.3
89.09537	0.6
92.95436	0.6
93.03451	2.4
95.01393	4.0
99.00871	8.4
101.02441	1.1
103.00347	1.5
105.03426	0.7
109.02929	1.1
111.00826	1.6
113.02454	13.1
115.00333	1.8
117.01927	2.3
117.03445	0.9
119.05009	1.6
121.02950	7.3
122.03773	4.4
123.04570	3.6
128.73982	0.6
129.01913	2.0
130.99858	1.7
132.02167	0.8
133.02980	3.7
134.03737	25.8
135.04504	3.4
137.02429	3.3
145.02933	1.2
146.03723	1.0
147.04501	2.7
148.05292	0.8
149.02448	9.3
149.06076	6.2
150.03218	26.4
151.04005	8.7
156.97118	0.6
157.01460	0.7
160.01614	4.2
161.02437	2.6
163.03954	2.9
164.04828	6.5
165.01898	0.7
165.04193	1.0
165.05553	21.2
173.02382	1.3
173.04494	0.8
174.03200	2.4
175.02443	2.1
175.03979	8.4
177.01904	1.1
177.05508	0.9
178.02702	4.5
179.03398	1.8
179.07117	5.1
180.04300	1.7
181.05063	6.7
191.05537	1.0
193.05045	18.5
193.06799	1.2
195.06664	3.7
205.04973	1.0
231.05133	1.5
239.07150	1.2
249.06137	18.3
250.06299	2.1
252.06305	1.3
267.06769	4.1
282.08960	3.0
285.04007	1.6
341.10089	3.1
343.11722	1.2
345.05972	1.2
345.11160	0.7
353.10016	0.7
381.11832	1.7
387.14072	1.3
397.09296	2.3
415.10306	7.9
425.10678	1.9
433.11380	6.6
435.16501	0.8
438.83609	0.6
439.12207	1.0
442.11041	3.8
443.11945	5.3
457.13583	1.2
459.09271	2.6
477.09769	1.2
535.31152	2.1
540.47644	0.6
591.17639	0.8
605.54010	0.7
607.17139	1.8
621.18359	3.8
639.19220	100.0
640.19757	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	639.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24345	0.8
53.14689	0.7
54.66083	0.8
55.01869	1.6
57.03436	3.8
58.00570	0.8
59.01375	21.3
61.98823	3.9
62.13556	0.7
67.01871	0.9
68.99796	1.3
69.03443	2.2
69.16534	8.3
71.01376	21.5
72.99296	5.5
73.02940	3.8
73.57187	0.8
75.00867	20.6
80.06021	0.8
81.03437	1.1
83.01382	2.9
83.05020	0.9
85.02944	20.3
87.00877	8.7
88.98782	2.5
89.02448	5.4
91.03961	0.8
93.03443	1.1
95.01395	4.6
97.02942	1.0
97.06612	0.9
97.19039	0.7
99.00872	24.6
101.02432	3.2
103.00378	1.6
104.33652	0.8
109.02938	2.4
111.00896	2.3
111.04506	1.3
111.08154	4.4
113.02445	23.9
115.00343	1.9
116.92855	6.5
117.01908	3.4
119.05016	0.9
125.02405	1.2
129.01938	2.2
139.00273	1.4
145.02919	2.1
147.04559	1.3
149.06047	0.8
149.99541	1.3
157.01437	4.5
161.04524	0.9
165.04024	3.5
165.05383	0.7
165.12834	29.2
166.13213	1.3
168.17311	0.8
173.04463	1.3
175.02473	1.8
180.02583	1.0
183.13885	63.0
184.14224	2.7
191.05606	1.4
191.10808	1.7
207.04982	0.8
207.13800	0.9
209.03008	0.8
209.11748	2.8
212.04730	0.8
227.12840	10.7
231.05103	1.1
239.99236	0.8
243.10034	1.2
249.06136	15.0
250.06589	1.0
257.17343	0.8
267.07196	21.0
268.07343	0.9
268.88531	0.8
280.12860	0.9
284.03174	1.9
285.03531	0.9
299.05667	1.1
300.05814	1.0
301.16541	3.3
331.08386	1.0
332.95966	1.1
375.27243	0.8
415.19711	8.6
416.20209	1.2
459.18689	35.0
460.19406	4.1
465.17770	1.1
477.19751	100.0
478.20114	8.0
508.37561	0.8
519.20917	5.0
535.31079	2.6
595.29303	5.3
639.17242	2.4
639.24969	58.3
639.33789	3.1
640.25305	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	639.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68623	0.7
57.03434	2.1
58.00580	0.8
59.01376	13.6
61.98806	1.0
67.01884	1.0
68.99817	2.6
69.03442	1.3
69.52199	0.6
70.34850	0.6
71.01373	14.9
72.99296	5.8
73.02930	2.1
75.00464	1.2
75.00867	13.9
81.03439	1.2
83.01364	1.5
84.02161	0.6
85.02938	15.0
87.00867	8.7
89.02455	3.7
93.03438	3.9
95.01393	4.7
97.02938	1.0
99.00872	10.6
101.02409	1.3
103.00369	1.8
108.46384	0.6
109.02950	0.9
111.00858	1.8
113.02435	12.2
115.00349	1.8
117.01884	1.9
117.03449	1.2
119.05009	1.3
121.02947	7.0
122.03769	3.7
123.04481	2.9
129.01930	1.7
130.99844	1.5
133.02954	3.2
134.03728	23.8
135.04553	4.0
137.02411	2.4
139.04021	1.0
145.02919	1.1
146.03729	0.7
147.04488	2.1
148.05290	1.4
149.02425	10.0
149.06064	5.8
150.03212	23.2
151.04034	8.1
157.01476	1.6
160.01654	4.7
161.02370	2.6
163.03995	3.6
164.04788	5.7
165.04173	1.1
165.05547	19.2
166.05978	0.9
173.02336	1.2
173.04457	1.0
174.03163	2.4
175.02408	1.7
175.03947	9.9
175.58366	0.8
177.01866	1.0
178.02672	4.2
179.03395	1.4
179.07124	5.7
180.04213	1.8
180.47063	0.8
181.05025	5.6
182.74625	0.7
191.03493	1.6
191.05490	0.9
192.04311	0.8
193.03348	1.3
193.05032	18.7
195.06523	4.3
205.04915	1.0
219.03102	0.7
231.05069	1.2
234.06822	0.7
239.07079	1.5
249.06087	19.6
250.06332	1.4
253.07130	1.0
267.06680	4.9
282.08923	2.8
285.03934	1.3
297.11179	1.4
319.94440	0.8
341.10144	3.3
343.11990	0.9
353.10165	1.6
355.08273	1.2
373.08865	1.0
381.11899	2.1
387.14352	1.0
397.09149	1.9
415.10168	6.8
425.10699	1.1
433.11255	8.3
439.12234	1.6
442.10950	4.8
443.11929	5.3
444.12473	0.9
457.13565	1.6
459.09485	3.3
477.10205	2.7
535.30444	2.0
565.50763	0.9
607.16663	1.6
621.17871	2.3
639.19165	100.0
640.19543	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	639.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60661	2.1
54.62347	1.7
57.38672	1.7
59.01360	7.1
59.08941	1.7
61.62999	1.6
75.00874	2.9
85.02936	2.9
87.00874	59.7
98.19878	4.7
99.00844	2.6
101.02441	1.9
109.02914	2.4
113.02428	3.6
121.02946	9.1
123.00851	6.5
123.04501	3.4
124.01598	2.3
125.02397	5.3
130.99855	3.4
131.04942	3.6
134.03667	2.2
137.02402	9.8
138.03203	18.0
139.03998	3.4
145.02863	3.1
146.03687	4.0
147.04515	11.9
150.03198	2.8
151.03918	2.5
152.04788	3.8
153.05527	6.0
159.04492	79.3
160.05327	14.3
161.02443	14.9
161.06071	36.8
162.03171	9.7
163.03963	10.3
165.04076	3.4
165.05565	2.4
168.92319	2.2
173.02394	5.2
173.06052	21.6
174.03174	3.4
175.02524	3.5
175.03978	38.1
177.01860	2.2
177.05653	2.3
184.03726	2.1
187.03973	9.2
188.04771	2.5
189.05460	5.0
191.03471	3.3
199.07487	2.3
203.03525	8.7
204.04184	3.6
205.05017	5.3
217.05043	5.0
223.07703	2.7
225.05519	20.2
227.07086	1.9
229.01303	2.7
229.05209	2.9
239.03427	2.1
241.05003	2.6
243.06505	3.6
249.05527	5.7
249.07784	2.0
251.03339	5.6
251.07120	13.2
253.05028	25.7
254.05714	2.3
256.03683	3.9
265.05051	2.3
267.06543	3.8
269.04489	12.6
269.08047	4.9
270.05215	4.9
271.06036	30.4
272.06546	2.6
277.05093	8.6
278.05716	1.9
279.03165	5.0
279.06583	10.4
280.07169	2.0
281.04510	44.5
282.05228	8.7
284.06818	2.3
285.07614	4.3
286.08478	20.6
295.06183	10.6
296.03531	3.6
296.06827	15.8
297.03961	15.2
297.07574	31.0
298.04703	3.3
299.06042	2.2
299.09143	7.7
301.07404	3.0
301.10718	18.2
305.04401	5.3
310.08417	2.5
311.05719	3.8
311.09152	18.6
312.06265	12.0
312.09955	24.4
313.07013	6.6
313.10242	2.4
322.04724	5.3
323.05493	11.5
325.07019	14.6
325.10666	4.2
326.07861	5.7
327.08618	39.5
327.12311	67.2
328.09134	8.6
328.12726	6.9
329.10199	9.3
337.07120	7.2
338.07843	14.6
340.05844	5.8
343.11795	25.4
344.12045	3.2
353.10260	28.7
355.08215	33.2
356.08911	4.5
369.09763	4.6
371.11304	59.7
372.11542	6.5
387.10715	9.7
397.09241	62.6
398.09512	5.6
399.07150	5.6
415.10333	22.4
416.09940	1.9
433.11353	81.7
434.11618	5.8
441.08224	43.1
442.08527	5.3
459.09259	62.1
460.09506	7.3
477.10306	57.0
478.10510	7.1
639.15515	100.0
640.15717	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	6.8
61.00029	0.7
61.98817	1.1
65.03928	0.8
71.01379	4.3
71.53826	0.7
73.37052	0.6
75.00865	2.6
85.02953	1.8
87.00876	30.2
89.02425	1.8
91.05553	3.3
93.03462	4.2
95.05042	1.0
99.00873	0.8
101.02425	1.6
103.05532	1.4
105.03467	3.1
106.15678	0.7
107.05042	3.4
108.02189	1.3
111.00906	0.8
112.98808	1.1
113.02445	2.8
119.05027	4.2
121.02956	16.5
122.03757	6.0
123.04546	6.2
128.97742	0.7
129.01988	0.7
129.03407	0.8
130.04247	0.9
130.99864	10.3
133.02956	1.6
134.03723	2.2
135.04533	3.2
137.02419	4.8
139.00380	0.6
139.04012	1.6
145.02956	6.8
146.03746	5.0
147.04518	23.4
148.01642	1.7
148.05324	3.6
149.02435	26.5
149.06091	7.4
150.03267	5.3
151.03969	1.3
158.03716	0.9
159.04552	2.0
161.02452	1.3
163.04010	28.2
164.04782	59.6
165.01955	1.2
165.03999	1.8
165.05502	10.9
168.00696	0.7
173.02422	15.9
173.04019	1.2
173.04550	1.2
174.03217	29.9
175.00481	1.3
175.03993	45.7
176.01118	4.0
176.04362	1.6
177.01933	7.5
178.02649	1.1
179.07126	55.6
180.07507	1.5
181.04906	0.9
186.03291	0.9
190.02634	3.5
191.01999	0.9
191.03545	7.4
191.05386	1.2
192.04277	3.6
193.05072	5.3
195.06638	1.6
204.66060	0.6
205.05078	1.8
207.03056	1.5
207.06636	2.3
217.01440	3.3
218.02177	8.8
219.02971	9.1
223.05818	0.9
225.07573	0.7
227.07152	4.6
236.03271	2.2
237.04063	1.2
242.09503	2.1
245.09210	0.8
249.06032	2.1
249.99400	0.6
253.05168	1.6
254.04268	3.9
271.02167	0.6
271.06140	2.5
279.06546	1.4
283.10074	0.8
286.08542	3.8
301.10736	4.4
315.04596	0.8
323.05722	0.8
343.11896	8.9
353.10257	13.4
354.10745	1.6
355.08194	6.7
371.11356	4.2
373.09204	5.2
389.12332	0.6
397.09262	22.8
398.09589	2.0
406.66672	0.7
415.10315	82.0
416.10565	7.7
433.11362	100.0
434.11707	8.9
443.11484	0.8
459.09314	29.4
460.09793	1.9
465.27194	1.5
477.10330	29.3
478.10791	3.1
484.99823	0.7
621.16895	0.8
639.15973	8.1
639.32654	1.0
640.15936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28465	2.2
59.01358	5.2
68.88918	2.7
70.47742	2.2
70.48091	6.8
75.00884	3.4
75.74762	2.3
87.00875	65.8
109.02909	3.2
115.00331	3.1
119.04997	2.2
121.02953	11.6
123.00853	6.8
124.01595	3.4
125.02393	5.4
130.99841	4.7
131.05028	3.9
134.03708	4.4
137.02475	12.0
138.03241	17.3
139.03987	2.8
145.02940	3.3
146.03712	3.5
147.04482	14.5
149.02350	4.0
149.06151	2.9
150.03218	3.5
151.03984	4.0
152.04742	3.8
153.05542	9.3
159.03244	5.5
159.04506	95.7
160.05309	20.3
161.02452	19.0
161.06065	43.3
162.03146	7.3
163.03941	13.8
165.04094	5.0
165.05482	4.9
165.30922	2.3
171.04562	2.6
172.05234	4.1
173.02344	4.5
173.06058	24.9
174.03183	7.2
175.02539	3.5
175.03978	44.7
176.04462	2.7
177.01883	2.6
187.03963	11.6
189.01790	2.8
189.05417	6.6
191.03502	4.1
199.07579	3.4
203.03526	12.2
204.04211	4.2
205.04939	8.3
209.05835	2.3
211.03908	2.7
213.05556	2.8
217.05069	3.7
219.02997	2.6
223.07507	3.8
225.05554	20.8
227.07111	4.3
228.04221	3.7
229.01611	2.7
234.05400	3.7
235.04015	3.3
235.30913	2.6
241.05002	3.2
251.03262	4.2
251.07050	14.8
253.05069	34.2
254.05669	5.7
256.03705	4.6
267.06421	5.9
269.04443	14.4
269.07971	4.0
270.05264	5.9
270.08353	2.5
271.06073	34.1
272.06635	2.9
277.05066	8.1
278.05502	3.8
279.03107	5.2
279.06570	11.5
280.03693	2.5
281.04538	49.0
282.05090	5.5
284.06754	6.9
285.07428	3.3
286.08487	28.4
287.08902	3.1
294.05420	3.5
295.05981	10.4
296.06763	24.1
297.03952	16.6
297.07565	40.1
298.08237	3.4
299.09106	9.9
301.07169	7.1
301.10745	22.1
305.04254	4.6
311.05713	5.6
311.09149	19.6
312.06323	16.9
312.09933	27.5
313.06973	9.8
322.04684	7.8
323.05618	15.7
325.07040	16.7
325.10699	7.8
326.07727	8.1
327.08591	50.4
327.12308	85.0
328.09241	11.8
328.12659	6.6
329.10046	7.6
337.07056	8.6
338.07764	12.2
340.05728	7.6
343.11826	29.5
345.34171	2.8
353.10272	35.9
355.08173	37.3
356.08752	5.9
369.09842	4.6
371.11301	73.4
372.11627	8.1
387.10721	9.5
397.09268	75.1
398.09406	6.8
399.07162	4.8
415.10449	20.1
433.11316	97.5
434.11713	7.7
441.02698	5.1
441.08267	56.8
442.08569	7.6
459.09259	74.3
460.09381	6.8
477.10336	59.0
478.10513	5.9
488.78909	3.1
527.89203	2.8
579.13763	3.4
639.15552	100.0
640.15906	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	637.1773
Annotation	5-Hydroxy-7,4',5'-trimethoxyisoflavone 3'-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.41822	0.4
55.01884	1.2
57.03452	0.7
58.00585	3.3
59.01376	67.3
60.01714	0.8
69.03449	6.2
71.01379	72.6
72.01730	0.8
72.99302	3.3
73.02949	9.7
75.00861	3.2
78.43317	0.4
79.01894	1.0
80.24790	0.4
81.03455	5.0
83.01389	3.7
85.02945	7.4
87.00873	6.0
89.02442	100.0
90.02796	1.6
93.03437	2.9
95.01382	3.4
95.37463	0.5
97.02945	11.6
99.00876	18.1
99.04515	2.6
101.02438	16.8
107.01402	0.9
107.05011	0.8
109.02921	0.9
109.27186	0.5
111.00865	1.7
113.02441	8.4
115.04001	8.3
117.03464	1.1
119.03504	2.8
121.02950	1.6
122.03741	0.7
125.02444	53.8
126.02778	1.7
127.04015	1.9
129.03482	0.7
130.04279	0.6
130.99869	1.6
131.03494	13.3
131.04474	0.7
132.02145	1.6
134.03717	0.7
141.03506	1.0
142.04227	1.2
143.03493	4.6
145.02911	0.7
146.47508	0.4
147.04483	2.1
149.04558	17.1
155.03362	0.5
161.04552	2.0
169.01521	0.5
169.02937	0.8
170.03761	1.9
173.04543	1.5
175.06120	0.9
176.98221	0.4
177.99065	0.8
185.02486	1.0
186.03194	1.5
190.99976	0.6
191.05603	9.5
193.01414	2.9
193.05109	0.6
197.02454	1.6
198.03220	5.9
199.03751	0.5
204.97781	1.2
211.03964	0.5
213.01900	1.3
213.05574	0.7
214.02689	11.1
215.03214	0.9
215.05450	1.1
218.99341	0.6
225.01906	0.9
226.02707	14.6
227.03110	0.8
233.06654	48.7
234.06950	1.4
241.01442	1.1
241.05095	2.8
242.02202	3.5
254.02145	4.8
254.04358	1.6
259.02579	0.6
269.01703	0.8
269.04526	4.7
270.01691	7.8
271.02066	0.7
278.20502	0.6
281.00949	0.6
282.01685	1.1
283.02487	0.6
284.03247	1.6
285.01086	0.7
285.03986	3.5
293.08762	41.0
294.09195	2.3
295.02515	0.9
296.03079	1.1
297.03952	1.4
298.01169	46.6
299.01471	3.6
299.05502	2.3
311.05646	1.4
313.03513	79.2
314.03860	5.2
327.04837	0.8
328.05853	34.7
329.06088	2.7
343.08197	76.7
344.08527	6.2
351.10742	8.1
352.11237	0.6
400.57947	0.5
637.32764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25719	0.4
55.01862	0.7
57.03446	3.0
59.01110	0.5
59.01381	7.3
59.55793	0.3
61.68233	0.3
61.98818	1.3
62.51207	0.3
67.01881	1.4
67.17862	0.3
68.99815	1.5
69.03437	1.5
70.49725	1.2
71.01016	0.5
71.01385	6.6
72.99303	1.0
73.02943	1.3
75.00871	0.5
83.01392	1.3
85.02949	9.2
87.00880	4.3
88.98782	0.4
89.02462	2.1
91.04011	0.9
93.03435	1.4
93.14249	0.3
95.01392	2.0
96.95991	0.5
97.02958	0.5
97.06596	0.4
98.89225	0.4
99.00900	0.6
99.04498	0.5
101.02450	1.8
104.22697	0.4
111.00879	2.3
111.08165	0.8
112.01695	0.4
113.02446	6.8
115.03993	0.4
119.04994	0.7
121.02977	0.8
123.04509	0.4
123.08148	1.6
125.09735	3.0
127.11269	2.3
129.01941	1.3
133.74217	0.4
137.02361	0.3
137.09738	2.4
139.00362	1.2
141.09180	0.4
145.02895	0.5
147.04504	0.5
149.06035	0.8
150.06346	0.5
153.09171	0.7
153.12755	0.4
155.10757	1.6
160.01669	0.6
161.02419	0.8
163.03967	0.6
171.10274	11.1
173.04509	0.7
175.04005	0.8
181.05034	0.4
189.03899	0.4
191.05592	1.5
193.05060	0.4
195.13821	0.8
205.07057	0.5
215.10304	0.4
229.14436	0.9
230.15312	0.6
255.02925	0.6
256.03503	0.4
263.07715	4.7
271.02515	0.4
284.03271	3.1
285.20779	0.8
299.05603	2.7
343.24878	0.8
351.10788	0.4
355.24857	1.8
371.24326	1.5
373.25928	66.8
374.26306	6.1
394.51086	0.4
454.48068	0.4
467.19894	0.4
533.32489	0.4
605.31573	1.9
626.68933	0.4
637.34418	100.0
638.24969	0.8
638.34827	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	637.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40914	0.2
57.03448	0.6
58.77571	0.3
59.01377	3.9
61.98817	0.6
69.03452	0.4
71.01377	3.0
71.30830	0.4
72.99314	0.4
73.02937	1.1
75.00871	0.5
81.03455	0.5
83.01368	0.5
83.05017	0.8
85.02935	1.6
87.00866	2.0
88.98798	0.3
89.02444	0.8
91.05530	0.4
93.03455	4.3
96.96008	0.9
99.00882	0.6
101.02457	1.4
108.87947	0.3
111.00920	0.5
111.04517	2.9
113.02436	0.7
117.03484	0.3
119.05022	100.0
120.05344	3.0
121.02947	0.7
129.01926	0.7
132.02182	0.9
133.02930	0.4
134.03754	0.3
135.04497	0.9
137.02422	1.1
143.03497	0.5
145.02930	0.7
146.03738	0.3
147.04535	2.8
148.05232	0.5
155.03474	3.1
160.01669	0.8
161.02258	0.3
163.04001	44.6
164.04332	1.8
165.04042	0.3
172.05287	0.3
173.04541	10.4
173.06023	0.7
175.03926	0.8
179.03563	0.4
184.05331	0.2
187.03883	0.3
190.99844	4.6
191.03720	0.6
191.05621	1.3
192.04230	0.6
193.04912	0.4
200.04808	0.5
211.04074	0.5
211.13405	0.4
227.03436	0.5
228.04239	0.8
239.03403	0.7
240.04175	2.0
255.02898	1.0
256.03680	0.5
267.02917	0.7
275.96512	0.3
283.02423	3.6
284.03238	30.2
285.03555	2.3
297.04071	0.7
297.14844	0.5
298.04782	1.0
299.05588	41.7
300.05862	3.6
314.04181	0.8
329.06598	0.8
337.09177	0.4
341.17572	0.6
463.10315	42.3
464.10635	4.4
475.21234	0.3
477.24146	3.1
477.74298	2.2
478.24396	0.7
571.24866	0.6
571.74677	0.6
593.24121	0.6
615.23486	0.6
637.15338	1.6
637.37292	1.9
638.29846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13441	0.4
57.03448	0.5
59.01375	3.4
61.24920	0.5
61.98830	0.8
68.99802	0.6
69.16585	1.1
69.17010	3.7
69.39032	0.4
71.01369	2.2
72.44273	0.5
74.71885	0.5
79.05518	0.5
85.02937	1.7
87.00869	20.0
88.01138	0.5
89.02418	1.2
91.05518	1.9
91.91965	0.5
93.03467	2.6
95.05028	0.9
96.96016	0.6
97.02984	0.5
97.06572	2.1
99.04551	0.4
100.98869	0.5
101.02366	0.6
103.05515	1.4
104.56586	0.4
105.03461	3.6
107.05025	5.8
108.02150	0.9
111.00837	0.7
111.04450	0.5
112.05308	6.4
113.02476	0.6
119.05013	3.6
121.02950	25.3
122.03812	3.3
124.01651	0.7
129.03464	0.9
130.58824	0.4
130.98976	0.8
130.99863	9.0
133.02968	1.2
134.03752	0.6
135.04501	1.2
136.01683	0.6
137.02437	5.5
139.03981	2.3
145.02963	0.7
146.03748	0.9
147.04515	35.9
148.05307	6.4
149.02423	0.9
149.04521	0.6
149.06033	3.8
154.02715	0.7
160.69423	0.5
161.02417	1.6
163.04013	5.2
164.04739	2.8
165.05489	0.7
172.05310	0.5
173.04552	0.5
175.03992	0.6
175.07640	0.7
176.04718	1.0
185.00937	0.5
191.03488	11.0
191.05267	0.6
191.10800	0.9
192.04263	5.7
193.05026	4.6
194.02205	2.2
201.09180	2.2
219.10243	0.8
229.04756	0.5
254.04321	7.7
261.11261	0.6
269.04630	1.0
284.03223	2.4
285.03958	4.0
289.10727	2.0
291.08728	4.5
299.05612	1.7
300.02658	0.6
307.11719	1.5
328.02438	0.5
343.04514	0.7
351.10815	100.0
352.11179	7.2
373.25995	2.6
477.42029	0.5
526.77460	0.5
551.87756	0.5
637.34692	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	637.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00345	0.2
69.92619	0.9
73.24732	0.2
85.02956	0.3
98.20532	0.2
98.93520	0.2
99.83827	0.2
110.00104	0.2
121.39136	0.2
132.02185	2.1
133.02943	0.4
134.03751	2.3
149.06100	0.3
160.01666	7.0
163.00375	0.6
175.03998	5.3
175.05499	0.3
176.04436	0.3
181.12622	0.2
184.05399	0.2
187.03990	0.2
190.99890	2.0
191.07069	0.3
193.05084	0.9
199.04019	0.7
200.04822	1.3
210.03229	0.3
211.03955	0.8
212.04765	0.3
227.03500	1.9
228.04266	2.5
235.06213	0.3
239.03419	1.0
240.04265	6.2
241.04652	0.4
255.02956	2.3
256.03662	0.8
283.02463	2.8
284.03250	73.2
285.03604	5.0
295.08289	0.5
299.05591	100.0
300.05936	7.7
337.09259	5.9
338.09671	0.5
637.15741	0.8
638.15356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99457	0.5
59.01379	3.1
70.91384	1.2
71.01375	2.0
79.17629	0.5
85.02946	1.1
87.00885	1.9
89.02435	1.7
93.03471	0.6
115.45868	0.4
121.02930	1.3
123.00922	1.2
124.01667	1.4
125.02499	1.1
135.04485	0.8
137.02412	1.5
138.03252	1.1
139.03992	1.6
145.02931	0.7
146.02675	0.7
146.03702	2.8
147.04543	2.4
149.02484	1.0
151.04066	0.6
159.04526	1.6
161.02423	3.3
162.03157	1.1
163.03996	1.8
164.04829	0.5
173.02397	1.3
173.04532	1.2
174.03226	1.1
175.03998	12.5
176.04745	5.6
177.01955	0.7
177.05542	0.9
187.03960	0.9
188.04776	4.8
189.05562	8.7
190.02672	1.2
191.03513	1.1
191.05482	0.5
193.05142	0.5
197.05911	0.5
203.03500	1.0
205.05060	1.0
212.04887	0.9
215.03419	1.4
223.07799	0.6
224.04831	1.4
225.05556	3.1
225.07590	0.5
227.03462	0.7
239.07063	1.4
240.04247	2.2
241.04997	1.4
243.06740	0.5
247.35481	0.5
248.04892	0.5
249.05550	3.2
250.02631	1.0
251.03635	1.0
252.04346	1.6
253.05064	3.6
254.05696	1.0
255.06522	0.8
256.03714	1.5
257.08368	0.6
265.05008	1.7
267.03131	0.9
267.06601	3.6
268.03851	4.6
268.06738	0.9
269.04510	4.3
270.05258	6.7
271.06079	3.5
276.69742	0.6
277.04993	4.0
278.05957	1.0
279.03018	3.4
279.06039	0.5
280.03812	0.7
281.04544	2.3
283.06152	4.8
284.06882	2.4
285.04016	0.5
285.07675	3.3
286.08453	2.2
293.04526	3.5
294.05353	3.0
295.06113	11.6
296.03333	9.2
296.06448	1.1
297.03949	3.2
298.04773	1.1
298.08426	1.8
299.09259	1.6
299.62720	0.5
301.10876	2.0
309.07870	1.3
310.08331	4.3
311.05597	14.3
311.09131	1.0
312.06433	4.6
313.07141	8.3
321.04071	1.5
323.05627	1.2
325.07144	2.7
325.10822	5.4
325.14270	0.8
326.07953	20.7
326.11255	0.8
327.08636	9.0
328.09503	9.7
329.09747	0.9
339.05093	4.1
341.10196	3.4
342.10925	1.3
343.11847	62.2
344.12280	4.9
351.08624	0.9
354.07446	9.9
369.09778	100.0
370.10083	7.7
387.10870	18.8
388.11252	1.7
395.07700	0.7
413.08731	0.9
429.11938	5.6
439.31937	0.6
489.13885	1.2
549.16138	1.6
637.19781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2508
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
61.98831	2.9
71.52706	0.8
78.23660	0.5
78.95898	5.0
121.02944	0.8
152.99580	2.6
158.72632	0.5
205.51782	0.5
243.95100	0.6
255.23329	2.7
361.10587	0.6
415.15320	1.0
419.18771	1.6
430.13989	0.9
431.18680	3.0
433.20233	1.2
444.15744	0.8
445.16434	2.7
446.21594	0.7
447.21951	0.8
458.17380	3.0
459.18542	1.4
472.19003	0.5
473.15778	2.6
473.20386	2.4
474.16708	6.8
475.17676	2.9
476.18289	0.7
486.20316	1.0
487.17599	2.3
488.18539	5.7
489.19202	4.5
490.19931	6.3
501.19193	1.8
502.19907	0.7
505.22638	4.5
516.18134	2.4
529.19012	1.5
549.21179	2.3
559.23334	0.9
560.20514	1.7
575.22986	14.2
576.23700	8.0
577.24097	0.8
603.22046	1.6
635.25085	100.0
636.25433	16.4
636.34564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.02945	0.8
59.01375	9.2
59.03214	0.5
61.98819	0.8
67.01877	1.2
69.03457	0.8
69.48988	0.6
69.72995	1.2
69.73405	1.8
71.01375	6.5
72.99297	1.0
73.02961	1.4
75.00858	2.0
78.40987	0.5
79.36544	0.5
83.01379	1.3
85.02950	4.2
87.00877	5.0
89.02449	3.6
93.03460	5.9
95.01394	1.0
96.96010	1.3
99.00841	0.8
101.02430	2.3
109.02975	0.8
111.00845	1.1
111.04513	1.4
113.02422	3.1
119.03464	0.6
119.05038	1.1
121.02940	1.1
123.00894	1.4
123.04540	1.3
124.01633	1.4
125.02433	2.5
127.03986	0.6
132.03081	0.8
137.02431	2.3
138.03200	0.7
139.04012	1.4
142.37697	0.6
143.14059	0.6
145.02919	2.2
146.03703	3.4
147.04524	4.0
149.02400	1.2
149.04497	0.8
149.06065	0.8
155.03432	0.7
159.04492	1.1
161.02452	2.9
161.04594	0.8
162.03288	1.4
163.04010	2.6
163.06064	0.6
164.07132	1.6
165.04091	3.0
165.05367	0.9
171.04546	0.7
173.02396	1.2
173.04544	7.9
174.03247	1.2
175.02562	0.9
175.03987	8.3
176.04753	5.7
177.05498	0.6
187.04001	1.1
188.04794	5.0
189.01920	1.0
189.05556	8.7
190.02612	1.0
191.03587	0.9
191.05621	2.5
193.04994	1.1
196.05353	0.6
197.06070	0.8
203.03380	1.6
205.06915	0.6
206.08174	5.2
214.02708	0.7
215.03453	1.2
224.04741	1.0
225.05554	1.8
226.06096	0.6
227.03493	1.2
228.04306	0.7
238.04732	0.7
239.07141	1.2
240.04221	2.9
241.05141	0.8
249.05811	1.3
250.02707	1.3
251.03511	1.2
252.04318	0.8
253.04982	3.3
265.04910	0.9
267.03146	1.1
267.06726	3.1
268.03781	3.7
268.06439	0.6
269.04459	4.1
270.05310	5.0
271.06161	2.6
277.05042	1.1
278.02203	0.6
279.02966	3.6
280.03574	1.0
281.04404	2.3
283.06186	4.1
284.06793	2.2
285.07657	2.9
286.08377	2.2
293.04614	2.4
294.05350	0.7
295.02618	0.7
295.06088	3.2
296.03290	11.7
296.06473	0.7
297.03891	2.4
298.05038	1.0
298.08380	1.7
301.10818	1.4
309.07629	1.0
310.04846	1.0
310.08408	2.2
311.05569	18.9
312.06119	3.4
313.07150	5.6
321.04163	0.8
323.05515	1.4
325.07111	2.2
325.10675	1.4
326.07919	24.7
327.08664	7.4
328.09436	8.1
329.09836	0.9
339.04919	4.1
341.10312	2.4
342.10815	0.8
343.11844	50.1
344.12210	4.2
354.07401	11.4
355.07501	1.4
369.09756	100.0
370.10065	8.9
373.13861	0.8
387.10886	15.6
387.15643	0.9
388.11139	1.2
429.11774	4.4
463.17337	1.1
489.14264	0.8
533.26385	1.1
637.23041	9.6
638.23956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1612
Annotation	Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01856	0.3
57.03434	0.5
59.01376	2.5
61.98808	0.5
64.81958	0.2
65.00342	0.3
67.01893	0.2
68.99814	0.2
69.34454	1.4
72.99310	0.4
73.02936	0.4
75.00865	0.7
83.01375	0.4
83.04993	0.2
85.02950	2.6
87.00869	1.3
89.02454	0.5
93.03447	0.9
96.96027	1.1
97.02930	0.2
99.00858	0.4
101.02446	0.9
111.00878	1.3
113.02464	0.7
115.32253	0.2
117.03447	0.2
119.05001	0.5
123.04469	0.3
125.02430	0.6
129.01904	0.3
131.03461	0.2
131.04997	0.2
132.02159	0.4
133.02966	0.6
133.06584	0.2
134.03757	0.5
137.02397	0.6
145.02969	0.4
147.03003	0.3
147.04497	0.4
149.02441	0.2
149.06050	0.4
151.00305	0.3
155.03441	0.2
159.04483	0.2
160.01677	0.5
161.02457	0.4
163.00339	0.8
163.03964	0.5
165.04050	0.5
165.05426	0.2
165.99020	0.2
172.05260	0.2
173.04572	1.3
173.05966	0.3
175.04001	0.7
179.07062	0.2
183.04475	0.6
184.05276	0.3
187.04012	0.5
190.99849	2.5
191.01912	0.8
191.03517	0.2
191.05586	0.7
193.05025	0.6
195.04852	0.2
199.04001	0.6
200.04764	2.0
203.03439	0.2
205.03447	0.4
205.05142	0.2
210.03203	0.4
211.04002	1.0
212.04744	0.9
227.03465	3.3
227.06900	0.2
228.04256	2.9
232.03610	0.2
239.03436	1.6
240.04248	7.2
241.04776	0.5
243.10193	0.2
249.06038	0.2
253.04976	0.3
255.02956	4.5
255.05344	0.2
256.03638	1.6
257.04346	0.2
267.02841	0.2
269.04608	0.5
281.04437	0.4
283.02466	4.5
284.03235	87.6
285.03595	6.0
287.05505	0.2
298.04953	0.2
299.05576	100.0
300.05933	7.2
300.09396	0.3
306.05103	0.2
341.06418	0.3
342.11240	0.2
357.13461	0.7
387.13757	0.2
413.12582	0.2
503.11661	0.5
517.19720	0.2
521.12988	0.4
552.51477	0.2
575.13940	0.5
593.15424	0.2
604.67853	0.2
634.67725	0.2
635.18951	0.2
635.27203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.8
57.03435	1.8
59.01110	0.8
59.01377	10.1
68.99825	0.7
69.03470	0.7
70.14151	2.4
71.01382	10.7
72.99319	3.7
73.02957	3.1
75.00868	9.9
76.01185	0.5
83.01371	0.9
85.02946	12.5
87.00874	4.7
89.02426	1.6
93.03439	0.6
95.01366	2.6
98.20580	0.6
99.00881	6.0
101.02419	0.7
103.00365	1.4
109.61506	0.4
111.00834	0.6
113.02444	9.8
115.00326	1.4
117.01926	1.3
123.08136	0.7
125.09692	3.1
129.01906	1.6
130.99838	0.5
134.78058	0.4
135.02994	0.5
137.02484	0.7
137.09695	1.1
139.00375	0.6
145.02979	0.6
149.04547	0.5
161.02440	0.5
165.04028	3.1
165.12843	1.0
167.14407	0.6
171.10245	4.0
175.02420	1.4
187.09708	0.6
191.07104	1.4
206.50154	0.5
209.11772	1.1
239.12885	0.7
249.06146	8.1
303.23010	0.7
321.24313	1.1
339.25372	3.5
347.22418	0.6
365.05576	0.5
365.23251	2.0
383.24344	26.9
384.24643	3.2
385.26285	1.1
413.14810	0.8
589.19293	1.0
589.87482	0.6
615.30426	0.6
633.31232	100.0
634.31647	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	633.4003
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
55.01864	0.9
57.03445	4.2
59.01108	0.3
59.01375	3.9
61.98817	0.9
67.01892	0.6
68.99819	0.6
69.03440	0.4
69.91960	0.2
71.01377	4.1
71.54253	0.3
72.99308	1.8
73.02940	0.8
75.00869	26.2
76.01205	0.2
78.16759	0.2
78.59800	0.2
78.95893	0.3
83.01404	1.3
84.02179	0.5
85.02947	22.9
86.03266	0.3
87.00867	2.5
88.98817	1.3
89.02437	0.8
95.01383	2.6
97.02949	0.5
99.00877	1.9
101.02447	0.3
106.35221	0.2
111.00871	0.7
112.01654	1.4
113.02442	11.3
115.00354	0.9
116.01138	0.5
117.01930	0.7
119.05013	0.3
129.01923	1.0
130.99783	0.3
139.00339	0.3
141.34047	0.2
147.04471	0.4
157.01427	1.0
171.10342	0.3
175.02531	0.6
209.82550	0.2
369.26425	0.3
418.84076	0.2
425.46524	0.3
455.35440	0.7
606.48810	0.2
615.38867	0.3
633.40039	100.0
634.40332	16.0
634.51007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4004
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
55.01885	1.4
57.03445	4.0
59.01375	3.1
61.98809	1.2
67.01886	0.5
67.57266	0.3
68.99812	0.5
69.03429	0.5
71.01375	4.1
71.38236	0.4
72.99303	1.8
73.02939	0.6
75.00867	26.8
77.52041	0.3
78.95881	0.5
79.72254	0.3
81.81295	0.2
83.01379	1.4
85.02943	21.3
87.00877	2.1
89.02444	0.4
95.01385	2.9
97.02934	0.5
99.00887	1.9
101.02434	0.4
101.06073	0.9
103.00421	0.3
111.00876	0.4
112.01627	0.9
113.02442	10.6
115.00378	0.7
116.01105	0.4
117.01958	0.7
129.01941	0.5
130.99919	0.4
138.92766	0.3
145.50648	0.3
147.04417	0.3
157.01413	1.2
175.02507	0.4
191.03375	0.3
213.61539	0.3
299.01889	0.5
314.03925	0.3
423.32806	0.4
455.35370	1.0
457.36902	0.5
501.36069	0.4
511.37991	0.4
594.78442	0.3
633.40015	100.0
634.40363	16.4
634.51196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
57.03434	0.5
59.01376	2.5
61.98808	0.5
64.81958	0.2
65.00342	0.3
67.01893	0.2
68.99814	0.2
69.34454	1.4
72.99310	0.4
73.02936	0.4
75.00865	0.7
83.01375	0.4
83.04993	0.2
85.02950	2.6
87.00869	1.3
89.02454	0.5
93.03447	0.9
96.96027	1.1
97.02930	0.2
99.00858	0.4
101.02446	0.9
111.00878	1.3
113.02464	0.7
115.32253	0.2
117.03447	0.2
119.05001	0.5
123.04469	0.3
125.02430	0.6
129.01904	0.3
131.03461	0.2
131.04997	0.2
132.02159	0.4
133.02966	0.6
133.06584	0.2
134.03757	0.5
137.02397	0.6
145.02969	0.4
147.03003	0.3
147.04497	0.4
149.02441	0.2
149.06050	0.4
151.00305	0.3
155.03441	0.2
159.04483	0.2
160.01677	0.5
161.02457	0.4
163.00339	0.8
163.03964	0.5
165.04050	0.5
165.05426	0.2
165.99020	0.2
172.05260	0.2
173.04572	1.3
173.05966	0.3
175.04001	0.7
179.07062	0.2
183.04475	0.6
184.05276	0.3
187.04012	0.5
190.99849	2.5
191.01912	0.8
191.03517	0.2
191.05586	0.7
193.05025	0.6
195.04852	0.2
199.04001	0.6
200.04764	2.0
203.03439	0.2
205.03447	0.4
205.05142	0.2
210.03203	0.4
211.04002	1.0
212.04744	0.9
227.03465	3.3
227.06900	0.2
228.04256	2.9
232.03610	0.2
239.03436	1.6
240.04248	7.2
241.04776	0.5
243.10193	0.2
249.06038	0.2
253.04976	0.3
255.02956	4.5
255.05344	0.2
256.03638	1.6
257.04346	0.2
267.02841	0.2
269.04608	0.5
281.04437	0.4
283.02466	4.5
284.03235	87.6
285.03595	6.0
287.05505	0.2
298.04953	0.2
299.05576	100.0
300.05933	7.2
300.09396	0.3
306.05103	0.2
341.06418	0.3
342.11240	0.2
357.13461	0.7
387.13757	0.2
413.12582	0.2
503.11661	0.5
517.19720	0.2
521.12988	0.4
552.51477	0.2
575.13940	0.5
593.15424	0.2
604.67853	0.2
634.67725	0.2
635.18951	0.2
635.27203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
65.03958	1.2
67.01873	1.5
68.99814	3.8
71.01373	2.6
72.99278	1.3
75.00880	3.1
77.03982	1.2
79.05531	3.0
85.02939	8.0
87.00867	4.1
87.76052	1.1
90.94649	1.0
91.05525	12.5
93.03455	19.1
95.05033	7.7
95.71371	1.1
96.95985	1.3
98.19882	3.1
102.04710	1.1
103.05528	9.5
105.03462	17.5
108.02180	3.4
109.02976	1.6
111.04492	2.0
119.05023	18.0
121.02962	18.7
122.03727	2.1
127.03988	2.5
129.03450	4.2
137.02441	19.2
138.02716	1.2
139.04015	6.0
145.02965	7.3
146.03719	4.0
147.04518	100.0
148.05312	16.9
149.02441	22.2
149.06084	19.9
150.03192	5.9
155.03529	2.9
163.03992	4.4
164.04787	29.8
165.04008	7.1
165.05525	11.7
173.04544	33.6
174.03200	2.3
175.03975	4.4
176.00996	1.8
179.07140	23.6
180.07416	1.9
191.03519	23.2
191.05595	68.8
192.04228	12.5
192.05949	2.6
193.05052	5.7
204.30211	1.0
207.06633	11.9
217.01390	8.0
218.02206	7.7
219.02994	3.2
235.02412	3.4
236.03212	2.6
237.07658	1.5
251.07124	1.7
279.06552	1.7
323.05612	2.6
327.12457	1.6
337.07230	4.1
338.08032	2.6
360.45441	1.3
367.04590	2.0
371.11270	15.1
372.11563	1.8
382.06747	2.1
397.09247	36.9
398.09625	3.9
415.10315	33.9
416.10681	3.4
423.07211	6.2
441.08255	28.7
442.08725	3.1
459.09290	21.1
534.01343	1.3
615.13184	1.5
633.14563	63.4
634.14966	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	633.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.7
68.99801	2.2
69.45286	8.3
71.01378	1.3
79.05508	3.3
82.19122	1.2
83.05043	1.6
85.02934	6.7
86.32155	1.2
87.00864	4.2
91.05534	12.6
93.03452	7.8
95.05018	7.6
98.20631	2.2
99.15786	1.0
103.05517	7.5
105.03462	15.7
108.02134	3.6
111.04520	1.6
114.87059	1.2
117.03423	1.7
119.05028	14.3
121.02183	1.3
121.02959	15.2
122.03783	1.1
127.03951	1.8
129.03447	3.9
131.05005	1.8
131.07108	3.6
137.02446	14.7
139.03996	4.7
145.02905	5.3
146.03706	4.1
147.04520	100.0
148.05325	13.8
149.02444	21.2
149.06081	19.8
150.03185	4.3
155.03444	2.7
163.03975	2.2
164.03506	2.3
164.04785	31.8
165.05524	5.6
173.04579	6.7
173.08232	1.9
175.03995	6.2
179.07127	24.3
179.08626	2.6
190.02730	1.8
191.03503	26.3
191.05588	57.6
192.04274	12.8
193.05049	6.0
205.05019	3.3
207.06561	10.1
217.01401	5.5
218.02127	3.4
219.03136	2.1
225.36188	1.4
235.02429	4.1
236.03160	2.8
243.03145	2.6
251.07158	2.0
255.02940	7.0
271.02469	18.1
272.02911	1.8
279.06589	2.6
281.19635	1.3
300.02753	39.4
301.03180	7.8
302.03296	4.4
309.11328	1.4
323.05447	2.3
337.07101	5.2
338.07895	3.5
367.04352	1.6
371.11380	14.7
372.11786	2.2
382.06888	3.2
397.09247	43.3
398.09570	3.8
415.10321	42.6
416.10751	3.7
423.07156	6.6
441.08197	29.3
442.08533	3.1
459.09247	7.2
595.12988	34.1
596.13348	5.6
597.13623	6.9
633.14551	52.5
634.14783	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	631.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26119	0.2
61.98826	1.2
67.56460	0.2
71.54529	0.3
73.02941	1.7
75.00872	0.6
87.00887	0.3
96.75931	0.2
99.00883	0.6
99.92578	11.8
100.92576	0.3
114.05616	0.4
114.93416	0.3
116.92857	100.0
116.97208	1.4
117.01942	3.0
117.05621	0.2
117.33921	0.2
117.92870	4.1
137.23840	0.2
226.02345	0.2
252.98924	0.2
277.21646	0.3
299.05432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93378	1.4
59.01378	2.7
60.14626	1.6
67.01893	7.2
69.03436	1.3
69.30208	5.3
69.30642	6.3
71.01370	4.8
83.04996	2.3
85.02950	5.7
87.00877	3.0
89.00325	1.3
93.03461	40.5
94.03831	1.9
109.02946	6.0
111.00894	3.4
111.04503	8.1
121.02962	9.2
123.00883	6.3
124.01645	1.9
125.02434	4.9
127.03960	2.6
131.04976	4.5
135.04521	1.8
137.02438	25.6
138.03244	16.1
139.03984	1.8
143.05034	3.2
146.03702	4.6
147.04495	10.6
149.06026	1.5
151.04047	1.6
152.04807	3.4
153.05560	6.1
155.03499	13.3
158.03671	1.6
159.04507	100.0
160.05305	21.7
161.02373	3.8
161.04810	2.7
161.06081	42.3
163.03932	2.2
164.04663	1.8
173.02441	6.8
173.04524	86.7
173.06046	31.7
174.03191	2.3
174.04832	3.5
175.03964	3.1
177.05539	2.0
184.03627	1.5
187.04001	9.2
191.03542	4.2
191.05594	26.5
199.03998	3.5
200.04716	1.9
203.03476	8.7
205.05078	1.9
211.04048	2.2
213.09167	2.1
217.01299	3.0
219.02979	1.5
223.07695	3.4
225.09178	1.7
228.04224	3.3
229.01300	2.1
234.05301	1.8
239.07068	2.2
240.04245	1.5
241.08665	3.1
249.05452	4.0
249.07726	3.5
250.06192	1.8
251.07106	24.2
252.07527	1.6
253.04979	2.1
253.08768	2.1
256.03757	3.8
264.04077	2.6
265.04895	1.9
267.06595	4.1
268.07431	1.8
269.04617	2.4
269.08167	5.3
270.08578	1.9
271.06192	9.3
277.05063	9.4
278.05765	4.2
279.06592	16.6
280.07236	3.2
281.04562	2.6
282.05411	8.2
283.05865	1.9
284.06976	2.5
286.08435	5.1
293.04440	1.9
294.05234	4.1
295.06094	11.0
296.06696	6.2
297.07678	52.0
297.11020	3.4
298.08038	4.5
299.09256	3.6
305.04593	5.4
310.08447	4.4
311.09286	6.9
312.06375	3.0
312.10019	42.1
313.10394	4.7
321.04099	3.2
323.05594	12.9
325.10629	9.5
327.12335	84.5
328.12781	6.8
337.07114	4.3
338.07922	11.2
343.08023	3.9
351.08652	7.6
353.10291	25.5
354.10577	2.2
371.11337	71.4
372.11639	5.3
379.08273	2.3
397.09274	55.7
398.09537	4.8
415.10370	38.0
416.10495	4.2
423.07162	22.9
424.07202	3.7
441.08313	20.0
442.08533	1.8
459.09421	10.4
589.15729	4.1
615.13495	16.4
633.14563	93.8
634.14966	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	633.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80823	1.0
59.11433	1.1
73.21416	1.4
85.02950	3.7
87.00884	1.8
89.00336	2.6
91.54879	1.2
93.03452	11.0
109.02947	4.9
111.04510	5.5
121.02956	9.1
123.00877	5.7
124.01675	1.5
125.02438	4.4
131.04999	2.8
132.68784	1.2
137.02449	10.9
138.03244	11.4
138.20555	1.1
139.04053	1.4
143.04935	2.6
146.03728	3.6
147.04477	9.1
151.04059	1.8
152.04753	2.2
153.05554	5.0
155.03569	6.3
159.04504	100.0
160.05301	18.6
161.02422	2.9
161.06078	35.5
163.04021	1.7
172.05222	2.2
173.02353	2.4
173.04523	16.9
173.06067	28.0
174.03181	1.4
175.03963	3.6
177.05597	2.1
184.03767	1.7
187.03952	8.4
191.03656	1.8
191.05595	25.5
197.06102	1.6
199.04080	2.5
203.03494	7.6
204.04373	1.9
211.03880	1.3
217.01427	3.5
219.02872	1.7
220.57765	1.3
223.07553	3.9
225.05681	1.3
227.03525	1.4
228.04330	4.2
229.01385	2.1
234.05278	3.4
241.08641	2.7
249.05487	2.1
249.07770	2.3
251.07108	22.6
252.07619	1.6
253.05118	2.1
253.08652	3.8
255.54292	1.4
256.03726	3.6
263.06979	1.7
264.04175	1.9
265.04868	1.9
269.04562	2.0
269.08118	5.0
271.06042	6.9
277.05054	7.2
277.91226	1.5
278.05823	2.1
279.06567	14.5
280.07086	1.5
281.04626	4.3
282.05350	9.1
283.06119	1.5
284.06912	1.5
286.08524	3.0
293.04401	3.4
294.05252	1.9
295.06042	9.8
295.09219	1.8
296.07108	6.0
296.10144	2.1
297.07642	50.7
298.08139	3.4
299.09134	2.0
305.04492	3.0
306.05099	1.4
309.07700	2.7
310.08414	2.5
311.09213	4.7
312.09985	33.5
313.10324	1.6
321.04034	3.4
321.07764	1.8
322.04727	2.8
323.05521	11.3
324.06052	1.6
325.10690	6.9
327.12350	81.2
328.12750	6.5
336.06464	2.3
337.07141	3.0
338.07932	7.6
351.08676	7.2
353.10269	16.0
371.11304	49.2
372.11655	4.3
379.08191	4.4
397.09204	49.0
398.09470	3.1
415.10294	23.2
416.10922	2.6
423.07214	41.6
424.07553	2.8
441.08148	8.8
459.09247	5.9
558.75543	1.3
589.15918	2.9
615.13989	7.7
633.14545	63.6
634.14819	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	631.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.5
61.98828	23.2
69.03426	1.1
71.01389	6.9
71.54463	1.5
73.02954	5.5
75.00862	1.7
83.01376	2.3
85.02940	3.8
87.00871	8.7
88.98797	1.9
89.02435	3.4
93.03467	1.1
95.04969	0.9
96.95986	3.1
99.00871	1.9
99.04514	1.3
100.21380	0.8
100.79852	0.8
101.02452	6.6
113.02412	2.3
116.31767	0.9
121.02925	1.0
125.02380	1.0
129.01909	0.9
130.99829	1.9
133.02934	1.1
134.00069	0.8
135.03001	0.9
137.02406	2.3
146.03618	0.9
147.04498	2.3
149.06084	0.8
159.04442	1.0
161.04556	1.2
161.99594	2.1
163.03986	1.6
165.04037	1.9
165.99045	1.0
173.04568	2.0
173.05991	1.0
175.03865	1.0
180.12531	0.9
186.03249	0.9
190.99840	0.9
191.01839	1.1
191.05540	2.1
196.05318	1.0
199.07648	0.8
201.09134	1.1
210.03165	1.1
211.11212	1.4
212.04652	1.6
213.05530	1.2
224.04749	1.3
226.00734	0.9
226.02663	5.7
227.03424	1.2
231.06630	1.3
238.02654	1.6
239.03461	3.4
240.04254	2.5
243.10297	1.3
251.10707	1.0
252.04262	3.0
254.02200	7.7
255.03030	1.1
268.03607	1.8
271.02682	0.9
279.10205	1.9
282.01755	10.0
282.08298	0.9
283.02225	2.4
284.03220	3.0
285.03745	1.1
295.09641	5.8
296.03223	4.8
297.04050	7.3
298.04639	1.2
299.02176	1.5
299.05545	3.2
307.09735	3.8
308.03387	7.6
308.10251	0.9
309.04068	16.3
311.05664	1.7
311.16687	1.0
314.04367	1.1
321.03757	1.1
323.05566	3.2
323.09174	6.4
335.09140	1.5
336.06262	1.4
351.08713	30.5
352.09375	10.8
367.11832	71.0
368.12253	5.5
383.24252	1.5
409.13046	2.2
556.15820	46.8
557.16235	6.3
571.18188	100.0
572.18567	14.0
587.15259	3.8
591.24475	1.0
622.24066	1.9
622.74756	1.1
631.14435	1.4
631.33649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17861	0.4
55.02116	0.5
59.01356	0.5
61.98821	1.9
65.40301	0.4
68.60967	0.4
71.05453	0.5
73.02950	1.3
74.31168	0.4
78.95900	0.8
99.92580	11.3
115.47299	0.4
116.92857	100.0
116.97236	2.9
117.01946	4.3
117.92871	3.7
118.96764	0.5
120.44409	0.4
174.10895	0.4
229.34502	0.6
234.84015	0.5
299.05612	0.5
325.01181	0.6
403.42029	0.4
422.20456	0.5
533.93604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.3
57.03441	6.0
59.01378	100.0
61.98826	14.8
68.99781	2.0
69.03446	3.5
71.01379	67.7
71.54498	1.8
71.54898	2.5
72.99313	6.8
73.02943	65.8
75.00872	23.1
78.95881	2.5
81.03442	3.0
83.01385	25.4
84.02180	1.9
85.02945	36.9
87.00869	37.4
87.01382	2.6
88.98792	4.2
89.02431	14.9
93.03449	4.9
95.01394	3.7
96.96003	19.6
97.02937	3.6
99.00880	6.0
101.02442	56.7
111.00874	2.1
113.02430	13.3
114.66998	1.7
117.03484	2.6
119.03486	3.5
119.05030	3.5
121.02943	2.9
122.06136	2.5
123.04517	1.8
125.02424	7.4
129.01930	5.8
130.99823	4.4
131.03510	2.8
136.04002	2.1
136.07758	1.8
137.02420	3.1
143.03484	6.7
145.02954	15.1
146.03712	3.2
147.02992	5.9
147.04474	4.4
149.04533	8.4
149.06052	3.6
155.03542	3.2
159.04478	2.3
161.02415	3.3
161.04607	9.8
163.03958	3.2
165.04037	61.0
165.05464	3.4
172.05325	2.1
173.04649	9.0
173.05899	2.4
174.04822	1.7
175.03967	2.0
179.05621	2.6
190.02640	2.3
190.18585	1.6
191.00334	2.2
191.01938	13.5
191.03526	3.9
191.05574	7.9
193.05104	2.4
195.06813	1.6
201.05559	2.7
209.03008	4.5
209.11771	3.0
223.06239	2.0
241.04964	2.6
243.11324	3.4
248.13789	1.8
255.02892	4.2
255.11349	3.5
269.12909	7.1
271.10764	2.1
273.12485	8.6
274.04724	2.2
281.04532	2.7
284.03317	9.3
297.04184	2.3
299.05542	17.6
300.02777	3.5
300.05826	2.2
309.04068	2.3
313.11908	5.4
315.05029	3.1
317.11484	2.2
335.05518	3.6
349.07245	5.0
350.07910	36.0
351.08401	4.3
365.10254	87.4
366.10757	8.1
383.11301	5.5
431.05936	3.4
475.22302	1.7
503.11859	7.5
545.16748	2.9
587.17584	63.0
587.25031	4.1
587.32446	3.1
588.17487	8.7
631.27795	12.2
631.37164	1.8
631.78760	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	631.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
60.89928	0.5
61.98822	2.1
65.00333	0.6
69.05598	0.5
69.06100	0.4
69.52341	0.5
69.52733	0.5
71.01379	1.9
73.02927	0.7
74.43870	0.5
75.00842	0.6
78.95908	0.7
85.02960	2.5
87.00867	6.5
88.98822	0.6
89.02396	0.6
89.19553	0.6
93.03435	1.3
94.06621	0.8
94.94431	0.6
95.05014	0.6
96.96022	0.7
98.20632	1.4
101.02438	1.1
103.05568	0.8
110.00093	0.6
113.02451	0.7
117.03457	0.7
118.04243	1.9
119.05032	1.5
119.92413	0.5
121.02952	1.4
122.03712	0.9
122.06087	0.5
123.00874	0.6
128.01151	0.5
129.01973	0.7
130.99854	1.6
132.02194	2.0
133.02951	0.9
134.03726	0.6
135.00867	1.4
135.04512	1.0
136.98839	0.7
137.02432	3.2
143.05035	0.6
145.02957	1.0
146.03784	0.9
147.04529	4.7
149.02431	7.0
149.06041	0.8
151.00360	0.6
155.04988	0.6
161.02435	5.1
161.04532	0.5
162.03218	26.6
163.00372	1.2
163.04025	2.4
165.98978	0.9
172.05257	0.7
173.04558	1.0
173.06023	0.7
174.05521	0.9
183.04521	1.0
183.13852	0.6
184.05251	0.5
186.06776	0.5
187.03952	0.7
189.01883	0.9
189.05487	0.7
190.02704	100.0
190.99884	6.6
191.03467	31.1
192.03952	1.8
199.03894	1.1
201.09157	0.6
211.03917	1.4
211.13397	1.4
214.06380	0.9
215.03467	0.6
215.10840	1.2
216.07820	0.5
222.01678	18.9
223.01993	1.0
227.03423	3.1
229.12314	0.6
234.01695	2.0
239.03479	1.7
240.04175	1.9
241.13429	0.7
243.10277	3.4
243.15002	0.8
253.09389	0.5
255.02917	3.2
263.07101	0.8
264.04239	0.7
264.07874	0.6
280.03604	0.7
281.04449	0.6
282.05219	0.6
283.02448	14.7
284.03232	22.4
285.03802	2.0
287.09366	1.2
287.13916	1.2
298.04794	38.1
299.05560	28.6
300.02707	0.8
300.05911	2.2
309.03934	0.8
313.03473	0.8
314.04019	0.7
315.05142	0.6
332.06934	1.0
352.09598	0.7
367.11880	2.9
372.06259	1.2
372.17331	0.6
375.08798	0.8
385.07150	0.8
388.05856	0.8
403.08133	1.4
413.06644	1.6
416.05344	4.9
430.06915	2.4
431.07648	8.5
432.08203	1.2
445.09344	4.3
446.10034	13.6
447.09961	0.9
461.09018	0.7
489.08182	1.9
490.09164	3.1
502.12509	0.6
503.13437	1.1
534.08087	2.1
543.16235	0.7
555.25824	1.2
587.15698	4.9
591.24359	0.6
599.25330	1.5
613.24347	0.7
621.73401	1.0
622.24695	1.7
622.73981	0.7
629.09546	0.6
631.15607	0.8
631.27197	6.4
631.35614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03119	0.8
58.62222	0.7
59.01379	4.3
65.00322	4.4
68.99802	4.4
70.09121	0.8
71.01363	2.3
71.53446	1.0
80.99797	1.2
82.09994	0.8
83.01398	0.9
83.05042	0.8
85.02940	3.1
87.00880	4.0
88.04053	4.2
88.98801	0.9
89.02416	2.0
93.03437	2.9
96.14841	0.7
96.96006	4.9
96.99315	5.9
97.02906	0.9
99.00896	1.1
110.34444	0.7
110.98038	0.7
111.00872	6.9
111.04465	0.8
112.98767	0.9
113.02431	1.5
115.00381	1.1
118.63467	0.8
119.05006	1.9
119.65442	0.8
122.06142	1.0
124.98794	14.3
125.02445	2.1
127.00334	3.6
129.01932	1.3
132.03043	6.1
134.03714	0.9
135.04494	1.3
136.98792	2.1
137.02444	2.2
137.99602	1.9
139.00368	14.9
145.02908	1.4
147.04539	1.4
149.06056	1.1
151.00322	1.0
152.98288	38.6
153.01906	2.7
153.99084	4.4
154.99857	44.9
156.00645	45.9
157.00946	0.9
161.02415	2.5
163.04015	1.4
164.04715	0.9
164.98270	5.4
165.05551	1.1
171.02975	8.1
173.04460	2.4
179.96944	2.0
180.97772	44.1
181.01329	1.5
181.05037	1.5
181.98486	5.2
182.99283	2.2
187.03955	1.0
191.01984	0.8
191.03656	0.8
191.05591	1.8
193.05003	1.3
194.99409	1.4
195.99992	1.1
198.98830	53.0
199.99625	3.9
201.00310	1.3
209.03006	1.0
213.00275	1.3
214.01169	5.3
215.01942	1.9
217.01524	1.1
249.08521	0.8
250.07228	5.4
286.00961	1.5
288.01459	0.9
299.01944	0.8
300.99811	8.0
301.03336	2.0
319.00894	2.7
450.10031	5.2
465.12488	1.1
476.08160	4.6
491.03238	1.8
491.10419	29.4
492.10712	2.2
494.09122	15.7
495.09549	1.1
509.11420	100.0
510.11636	9.6
585.14227	1.0
597.12720	1.7
614.11188	2.6
629.13483	63.3
630.13867	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	631.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
59.01376	20.4
61.20633	1.7
61.98831	28.2
63.92101	1.7
67.01882	3.3
69.03444	2.0
69.15932	2.3
69.16268	18.1
71.01373	12.3
73.02929	3.7
75.00856	6.9
80.91641	2.4
81.03430	2.7
83.01370	3.1
83.05025	4.1
85.02945	29.5
86.03291	2.3
87.00883	16.9
89.02431	6.1
89.03944	2.2
93.03466	14.0
95.01363	5.3
96.96011	7.5
97.02946	2.8
99.00856	3.8
101.02442	4.4
109.02977	8.2
111.00862	9.2
111.04499	4.1
113.02449	7.6
117.03455	4.0
119.03463	1.8
119.05042	6.2
121.02916	2.0
121.12266	1.8
122.03762	1.8
123.00877	13.4
123.04534	3.5
124.01675	8.2
125.02436	6.5
129.01942	6.7
131.04991	2.1
133.02963	9.4
134.03680	5.3
135.01820	1.7
135.04608	2.1
137.02444	43.4
139.03996	3.0
145.02936	4.9
146.03703	1.7
147.02943	3.6
147.04472	6.5
149.02428	9.5
149.04544	4.9
149.06041	4.4
150.03198	7.5
151.00365	4.1
151.92293	1.8
152.52780	1.7
155.03442	5.2
158.03735	1.9
159.04491	9.3
160.01674	2.9
161.02435	62.4
161.05989	2.3
162.02934	5.6
163.03992	2.8
164.04768	11.1
165.01967	8.3
165.04042	4.9
165.05573	9.3
173.02422	2.0
173.03008	1.7
173.04544	20.4
173.05919	3.1
174.03198	2.7
175.03963	27.7
175.76765	1.5
177.01910	55.8
177.07210	1.6
178.02402	3.7
178.99651	1.8
179.03313	1.9
179.07222	2.8
180.04225	4.1
181.05016	5.0
185.02415	1.9
185.06070	2.1
186.03165	2.0
187.03926	10.0
189.01930	34.1
190.02521	4.1
191.01897	10.0
191.03839	2.8
191.05550	18.6
193.05055	7.3
195.02924	2.2
195.06610	9.6
201.01837	3.8
201.05478	1.7
203.03482	40.6
204.03850	3.0
207.08337	1.7
209.02957	6.6
213.01900	7.5
215.03455	7.0
216.04135	3.1
217.08722	1.9
223.06036	8.0
225.05508	2.1
225.07645	5.2
227.03534	3.3
230.02180	2.1
230.05824	4.1
231.02974	77.2
231.06538	3.6
232.03209	4.2
233.00880	31.5
239.07146	2.7
241.05147	2.6
245.08223	3.8
249.05847	4.0
253.05104	1.8
255.02872	4.5
256.03421	2.6
259.02151	1.8
265.05109	2.7
267.06558	4.2
268.03900	2.1
271.02393	2.6
275.01950	58.9
276.02237	2.7
278.05692	3.0
279.06451	3.2
281.04636	2.9
281.08554	3.2
283.06052	4.5
283.15445	2.4
284.03268	18.1
285.03696	6.4
286.04083	2.5
293.04434	4.4
295.06274	7.9
297.04160	2.2
297.11624	1.7
299.05615	21.2
300.02740	5.5
300.05814	2.8
301.06290	2.3
305.04443	2.6
311.05573	5.0
323.05450	3.7
325.07156	2.2
325.10733	2.9
339.05072	13.0
339.08621	3.5
341.10547	4.8
351.08691	3.3
354.07489	18.3
361.16507	2.0
367.08105	16.4
368.08899	8.1
369.09756	62.6
370.10229	5.5
397.11322	5.8
401.08801	8.0
413.08688	23.6
414.09280	2.5
435.20261	2.7
436.42996	2.0
437.16202	2.3
439.06635	7.3
439.12527	2.2
457.07727	100.0
457.20804	4.1
458.08197	9.6
493.11292	2.1
500.10037	1.9
511.12802	1.9
537.24854	2.1
555.11218	7.2
555.25842	3.0
568.24823	13.4
583.24915	2.7
587.13501	8.8
631.13000	18.3
631.24847	14.4
632.13538	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	631.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77041	0.8
56.69973	0.9
57.03444	1.7
59.01388	4.8
61.98821	3.3
67.01905	1.5
69.35626	7.0
71.01380	3.4
72.99324	1.1
75.00887	1.1
77.16491	0.8
83.01395	1.0
83.05032	1.2
85.02936	7.7
87.00868	5.5
89.02440	3.3
89.03971	2.1
93.03432	5.0
95.01385	2.8
96.96010	3.4
101.02431	1.6
105.03445	1.6
108.02150	1.0
108.83893	1.0
109.02948	4.3
110.00096	2.3
111.00890	6.0
111.04519	2.7
113.02414	1.7
117.03473	3.3
119.05017	3.1
121.02980	1.0
123.00875	19.4
124.01674	9.0
125.02438	1.9
129.01959	1.8
131.05069	1.0
133.02956	5.6
137.02440	48.1
139.03986	1.0
143.05090	1.1
145.02962	3.3
147.04501	2.1
149.02437	7.1
149.04601	0.9
149.05972	1.2
155.03500	1.8
159.04549	2.8
160.01682	1.7
161.02429	40.6
161.06038	1.9
162.02762	1.4
163.03975	2.7
164.04776	6.4
173.02402	1.8
173.04520	8.6
174.03194	1.1
175.03964	8.6
177.01920	61.4
178.02382	1.5
185.06203	1.0
187.04002	3.9
189.01910	25.0
190.02620	4.8
191.02003	1.5
191.05608	10.4
193.05048	1.5
201.01915	1.9
203.03474	8.1
205.04997	1.8
207.02975	1.0
213.01877	1.8
215.03485	9.8
216.04230	3.4
223.06073	6.7
225.05553	1.2
227.03450	1.9
230.02165	1.2
230.05833	7.0
231.02956	25.4
231.06569	1.6
232.03468	1.0
233.00867	22.4
234.01387	1.7
239.07251	1.3
241.05060	1.2
243.06529	1.2
245.08191	7.9
249.05544	2.2
253.04933	1.6
255.02965	3.1
265.04932	1.2
267.06580	2.5
268.03769	1.0
269.04376	1.4
271.02661	1.1
275.01938	10.9
277.04990	2.6
279.06793	1.5
281.04440	1.2
282.08893	1.2
283.06015	4.4
284.03372	5.9
285.03815	1.4
293.04495	2.8
295.06216	6.6
297.13696	1.6
299.05591	6.9
300.02646	2.0
301.06992	1.2
310.08444	3.7
311.05658	6.9
315.98996	1.1
321.03979	4.2
322.04669	1.6
323.05518	3.1
325.10910	1.7
326.07718	2.5
336.06274	2.2
339.04990	14.3
339.08508	1.5
341.10138	5.8
351.08734	3.9
353.06696	1.6
354.07452	21.7
355.07700	2.5
367.08173	22.0
368.08875	11.3
369.09744	82.5
370.09988	5.3
383.07614	1.7
395.07736	1.8
397.11472	5.6
401.08655	9.7
402.08932	1.3
413.08743	14.7
414.09140	1.3
439.06482	5.0
457.07724	100.0
458.07993	8.8
469.16324	1.1
489.46570	1.0
519.45148	1.1
577.11682	1.1
587.14069	5.7
588.14825	1.0
595.12793	1.8
599.10297	1.0
631.12946	16.9
631.23187	4.9
632.13812	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	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.85780	0.3
69.96468	0.9
69.96883	0.7
73.02944	0.9
84.53418	0.3
132.36903	0.3
135.07831	0.3
195.61708	0.3
222.35570	0.3
241.97595	0.2
437.12457	0.9
438.13293	1.0
439.13702	0.5
450.15497	0.4
451.14014	0.6
452.14789	2.8
453.15125	0.5
465.16385	0.7
466.16232	0.5
467.17200	0.3
469.11438	0.8
470.15805	0.3
479.17361	0.7
480.14294	0.9
481.15033	6.8
482.15262	1.9
484.14194	0.5
493.15228	1.3
494.15726	1.1
495.16721	13.1
496.17178	2.6
507.20789	0.5
508.17780	1.8
509.18726	1.5
510.18234	0.4
512.13287	0.8
521.14581	0.9
522.14905	0.4
523.09003	0.4
523.17603	0.9
523.19104	0.9
524.15521	0.3
525.13959	0.4
526.07794	0.4
526.15131	1.0
528.16571	0.4
533.18140	0.7
535.16309	2.2
536.16815	2.8
537.17407	0.4
539.15662	0.7
540.16840	3.4
551.19342	36.3
552.19745	6.2
553.17151	0.8
554.17633	1.0
555.19037	1.5
567.19275	0.7
568.15955	0.9
572.15588	3.3
573.15698	0.4
583.21985	0.4
586.17279	2.4
595.18311	8.3
595.27924	0.4
596.18420	1.2
605.31122	0.3
612.81592	0.3
627.20892	100.0
628.21198	18.1
655.61041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
56.40879	0.7
57.03437	0.9
59.01376	10.1
61.39960	0.7
61.98530	0.8
61.98824	8.8
63.99224	0.5
65.00307	2.4
67.01854	0.6
71.01385	4.5
71.54265	0.6
71.54649	0.9
73.02934	1.5
75.00857	1.4
80.81222	0.6
83.01385	0.9
83.25469	0.6
85.02952	3.2
87.00871	3.5
87.04536	0.6
89.02435	2.0
92.49886	0.6
93.03442	2.3
95.01393	1.3
96.95988	1.5
96.99290	0.7
99.00858	1.0
101.02419	2.4
108.02135	0.8
109.02985	1.0
110.00077	5.3
111.00874	2.3
112.98749	0.6
113.02422	1.5
119.04978	1.6
123.00858	0.8
125.02406	1.3
134.03754	0.8
136.98788	1.5
137.02399	1.2
139.00362	5.1
140.01149	1.6
145.02914	2.3
146.03734	0.7
147.04460	1.4
148.01636	1.2
149.04527	1.7
149.06000	1.1
150.03210	1.7
153.01884	0.8
155.03482	1.3
159.04483	1.1
161.02371	1.1
162.03105	0.6
163.04024	1.5
164.98248	2.8
165.03986	2.0
165.99069	10.5
166.99815	2.4
173.04547	5.2
175.03941	0.9
177.01903	0.7
178.99870	1.2
180.00549	0.7
181.01447	3.4
189.01968	0.8
190.02692	1.1
191.05577	1.3
192.04289	0.6
193.04984	1.0
199.03949	0.8
219.02786	0.8
223.03993	0.8
226.02637	1.0
227.03491	1.6
228.04205	0.6
231.03011	0.7
241.01514	0.8
242.01988	0.7
251.03371	1.1
255.02927	1.5
256.03735	1.4
265.04950	0.9
267.02921	0.8
279.03168	0.8
283.02365	1.4
284.03171	3.9
285.03848	1.0
295.02441	1.3
299.02246	0.9
299.05331	4.1
300.02652	1.5
300.05881	0.9
311.01926	0.7
312.02762	1.7
313.03580	1.6
315.05798	0.6
331.06018	1.4
343.06076	1.4
344.06644	0.6
358.04691	0.8
359.05472	2.2
360.06351	1.2
367.24811	0.6
371.05338	0.8
374.04239	0.6
375.05008	2.1
377.03149	0.8
385.03479	0.6
387.05234	3.7
388.05789	3.7
389.06479	2.3
393.02463	1.4
402.03601	0.9
403.04410	6.7
404.05325	9.3
405.05908	1.8
414.03864	1.0
415.04694	1.4
416.05093	1.0
418.06979	1.2
419.07639	3.0
421.01834	1.9
422.02652	2.3
431.03928	1.6
432.04800	4.1
433.05667	2.0
436.04355	1.7
446.06430	0.9
447.07123	2.4
448.00494	0.9
455.22903	1.7
500.78217	0.6
515.05963	0.7
609.30170	0.9
614.06873	3.8
629.09283	100.0
630.09503	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	629.0936
Annotation	Strychnobiflavone
Peak:m/z	Relative Intensity
55.01851	0.6
56.40879	0.7
57.03437	0.9
59.01376	10.1
61.39960	0.7
61.98530	0.8
61.98824	8.8
63.99224	0.5
65.00307	2.4
67.01854	0.6
71.01385	4.5
71.54265	0.6
71.54649	0.9
73.02934	1.5
75.00857	1.4
80.81222	0.6
83.01385	0.9
83.25469	0.6
85.02952	3.2
87.00871	3.5
87.04536	0.6
89.02435	2.0
92.49886	0.6
93.03442	2.3
95.01393	1.3
96.95988	1.5
96.99290	0.7
99.00858	1.0
101.02419	2.4
108.02135	0.8
109.02985	1.0
110.00077	5.3
111.00874	2.3
112.98749	0.6
113.02422	1.5
119.04978	1.6
123.00858	0.8
125.02406	1.3
134.03754	0.8
136.98788	1.5
137.02399	1.2
139.00362	5.1
140.01149	1.6
145.02914	2.3
146.03734	0.7
147.04460	1.4
148.01636	1.2
149.04527	1.7
149.06000	1.1
150.03210	1.7
153.01884	0.8
155.03482	1.3
159.04483	1.1
161.02371	1.1
162.03105	0.6
163.04024	1.5
164.98248	2.8
165.03986	2.0
165.99069	10.5
166.99815	2.4
173.04547	5.2
175.03941	0.9
177.01903	0.7
178.99870	1.2
180.00549	0.7
181.01447	3.4
189.01968	0.8
190.02692	1.1
191.05577	1.3
192.04289	0.6
193.04984	1.0
199.03949	0.8
219.02786	0.8
223.03993	0.8
226.02637	1.0
227.03491	1.6
228.04205	0.6
231.03011	0.7
241.01514	0.8
242.01988	0.7
251.03371	1.1
255.02927	1.5
256.03735	1.4
265.04950	0.9
267.02921	0.8
279.03168	0.8
283.02365	1.4
284.03171	3.9
285.03848	1.0
295.02441	1.3
299.02246	0.9
299.05331	4.1
300.02652	1.5
300.05881	0.9
311.01926	0.7
312.02762	1.7
313.03580	1.6
315.05798	0.6
331.06018	1.4
343.06076	1.4
344.06644	0.6
358.04691	0.8
359.05472	2.2
360.06351	1.2
367.24811	0.6
371.05338	0.8
374.04239	0.6
375.05008	2.1
377.03149	0.8
385.03479	0.6
387.05234	3.7
388.05789	3.7
389.06479	2.3
393.02463	1.4
402.03601	0.9
403.04410	6.7
404.05325	9.3
405.05908	1.8
414.03864	1.0
415.04694	1.4
416.05093	1.0
418.06979	1.2
419.07639	3.0
421.01834	1.9
422.02652	2.3
431.03928	1.6
432.04800	4.1
433.05667	2.0
436.04355	1.7
446.06430	0.9
447.07123	2.4
448.00494	0.9
455.22903	1.7
500.78217	0.6
515.05963	0.7
609.30170	0.9
614.06873	3.8
629.09283	100.0
630.09503	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	626.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33628	0.5
57.03440	1.2
58.98658	0.5
59.01374	3.8
60.99306	1.1
61.98822	12.1
63.44864	0.6
67.01886	3.8
69.03430	0.8
70.70135	1.1
70.70484	0.9
71.01371	4.6
73.02930	0.7
75.00865	0.7
78.95951	0.5
81.03441	0.9
83.05038	1.0
85.02949	2.1
87.00882	4.1
88.98769	1.4
89.02425	0.9
93.03450	28.8
94.03767	0.7
96.95999	6.0
99.00865	1.0
101.02409	0.9
106.04285	0.5
108.02219	0.8
109.02925	0.8
111.00874	1.1
111.04515	5.3
113.02447	1.1
117.03437	0.6
119.04993	0.9
121.02954	2.1
123.04494	0.9
125.02439	0.6
129.01936	0.8
130.99831	0.7
133.02969	0.6
134.03735	4.5
135.04483	0.6
137.02431	4.0
139.00403	1.0
145.02925	1.0
147.04500	1.1
149.02435	1.9
149.06039	1.8
150.03221	4.7
152.01210	0.5
155.03488	3.3
161.02463	1.0
162.03215	0.8
163.03961	1.0
164.38370	0.5
165.04128	0.8
165.05524	5.9
173.04527	100.0
174.04884	3.0
175.03947	0.7
178.02692	1.6
191.05573	1.8
191.07123	0.6
193.05009	6.6
195.06589	2.7
213.37799	0.5
235.06012	0.5
249.06105	0.7
250.06531	0.5
255.02846	0.7
256.05667	0.7
271.02496	1.7
272.02789	1.5
282.08817	1.2
284.03217	0.6
297.11810	0.6
300.02728	2.1
301.03210	3.3
301.06299	0.5
334.32629	0.6
341.10202	2.4
389.12292	2.7
538.26361	0.6
538.49432	0.5
563.17633	20.6
564.18097	2.1
626.14093	4.0
626.26117	0.9
627.15637	0.8
634.01447	0.5
640.20862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29187	1.0
61.98830	100.0
69.81116	2.3
69.81506	2.5
72.49744	0.9
82.18975	1.0
127.25996	1.0
146.30588	1.0
270.21606	1.2
309.54324	1.1
419.32364	1.2
422.08157	1.1
525.20923	1.1
644.90985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19561	0.9
61.70776	0.8
61.98830	100.0
69.86740	4.0
87.99249	0.9
88.26323	0.9
95.06850	0.9
96.09113	0.8
118.94993	1.0
130.07553	1.0
145.85509	1.0
193.80634	0.9
232.85399	0.9
244.61816	0.9
426.12222	1.1
526.62061	1.0
619.83252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01373	3.1
61.98829	1.2
67.01878	1.1
69.16114	10.3
71.01380	8.4
73.02943	3.1
81.03457	1.0
83.01385	2.3
85.02948	5.2
87.00870	23.3
89.02448	1.6
93.03440	2.0
93.66836	0.9
96.96015	2.5
97.02994	1.0
99.00890	5.4
100.01665	3.4
101.02446	3.4
109.02972	2.1
110.00114	1.2
111.00866	10.6
112.98823	5.0
113.02478	1.2
121.02991	1.8
123.00871	5.7
123.04508	1.9
125.02425	1.3
127.04025	1.5
129.02008	1.3
131.03546	1.1
134.03741	0.9
135.04553	1.7
137.02434	11.1
138.03229	2.7
139.00385	4.6
140.00954	1.2
142.99860	4.2
145.01579	1.1
147.00911	1.9
147.04585	1.6
149.02441	2.8
149.06100	1.8
150.03235	1.9
151.00403	2.7
151.04007	2.2
153.01927	2.3
155.03525	1.5
161.02478	4.9
163.04031	4.6
164.01189	1.4
164.04761	6.1
165.01924	72.6
165.05556	3.2
166.02711	7.4
167.03372	1.0
173.00931	9.1
173.04631	1.7
174.01657	2.5
174.03214	1.8
175.04033	3.8
176.04797	4.8
177.01926	2.0
178.06355	2.4
179.03481	21.5
179.07074	5.5
180.04260	49.2
181.05069	10.9
190.02634	1.0
191.03540	5.4
191.05470	1.1
191.07172	3.1
193.08766	1.4
194.05869	11.1
195.03040	3.0
195.06621	66.6
196.06985	3.0
203.03503	2.3
203.07181	1.5
205.04939	5.1
206.05850	3.1
207.06651	2.2
209.08199	6.3
210.05304	11.1
211.05934	1.3
219.03021	3.8
219.06624	1.9
220.03839	1.4
221.08180	5.9
225.07678	39.6
226.08092	2.1
233.04695	1.3
234.05261	2.2
235.06105	1.5
247.02560	3.4
247.06215	1.8
249.03986	2.0
249.07716	2.1
255.05197	1.2
258.58600	1.0
261.04105	3.1
262.04727	7.9
264.06512	3.5
265.07114	3.7
272.35577	1.0
276.06528	4.0
277.07184	11.5
286.01266	3.1
295.08359	1.7
301.03580	2.7
317.02255	1.7
322.06891	1.1
333.06097	1.9
337.09274	31.1
338.09650	2.3
369.09991	1.6
399.14471	5.0
443.13568	4.5
444.11526	1.2
455.13660	1.9
473.14594	2.1
491.15485	18.2
491.22314	1.2
492.15997	1.8
503.15540	3.0
521.16864	3.7
525.14130	1.0
551.18054	1.3
561.16302	2.2
563.17804	8.9
582.59521	1.1
595.13043	2.6
609.18298	14.5
610.18915	1.7
627.19501	100.0
628.19879	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	625.2666
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.64555	1.0
69.85732	5.6
76.37703	1.1
90.82964	0.9
112.21004	0.9
122.19957	1.2
213.10352	8.4
237.10342	1.0
299.14072	1.4
328.10620	1.8
385.14267	1.5
398.15018	1.4
406.14822	1.0
433.12900	4.7
434.13785	2.1
439.21317	1.2
447.14590	3.2
448.15253	9.9
449.15933	5.8
450.16724	1.3
463.17697	16.0
464.18237	2.3
465.19455	1.7
475.13794	1.3
477.19229	3.6
478.19873	3.0
479.20880	12.5
491.17188	25.5
492.17459	4.9
505.18896	4.6
506.19559	7.3
507.20349	3.6
520.20892	2.4
523.19458	2.4
538.22174	26.8
539.22900	8.5
593.23871	7.9
594.24329	1.4
625.26587	100.0
626.26917	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	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14751	0.4
55.01872	0.6
56.03518	0.3
57.03448	0.9
58.00596	0.9
59.01379	21.6
60.90340	0.3
61.98815	0.6
62.27654	0.3
69.03453	0.9
70.91767	0.6
70.92120	0.4
71.01382	15.4
72.99306	1.1
73.02941	2.0
75.00869	0.5
81.03447	0.6
82.26678	0.3
83.01380	1.8
85.02940	4.0
85.84757	0.3
87.00879	3.1
89.02442	12.5
93.03490	0.6
93.30801	0.3
95.01393	1.1
97.02944	1.3
97.06573	0.3
99.00894	1.2
101.02441	10.7
108.75368	0.3
109.02930	0.5
111.00880	0.5
111.04485	0.4
111.08170	0.8
113.02449	5.2
119.03481	2.4
119.04992	0.3
121.02937	0.6
123.04543	0.4
125.02470	2.7
131.03481	0.6
131.47607	0.3
143.03499	1.1
145.02928	0.6
161.02422	0.8
161.04504	1.7
162.03174	0.4
165.12843	9.2
179.05602	1.1
183.13895	61.9
184.14209	2.6
185.04659	0.3
189.09204	0.4
191.05688	0.5
193.05000	0.9
209.11931	0.7
218.31459	0.3
221.06633	1.4
227.12872	7.3
235.08238	1.2
249.06076	0.4
253.09334	0.5
273.02756	0.4
375.27310	1.1
397.13403	4.2
415.14539	2.7
428.49365	0.4
447.66812	0.4
607.25018	0.7
625.27039	100.0
626.27441	13.6
626.37756	0.7
651.79407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78649	0.4
54.10006	0.6
55.01859	1.0
57.03445	1.7
58.00589	0.8
59.01377	23.0
60.01699	0.5
61.98833	1.1
69.03452	0.8
71.01378	15.8
71.01778	1.0
71.09034	0.6
71.09371	1.0
71.72633	0.4
72.01739	0.9
72.99325	1.5
73.02940	4.2
75.00868	1.9
81.03465	0.9
83.01357	2.5
85.02948	6.4
87.00869	4.2
88.98837	0.8
89.02441	11.0
93.03436	0.4
95.01374	1.5
97.02975	1.7
97.06597	0.5
99.00861	2.7
101.02433	11.3
102.02838	0.5
103.00359	0.6
111.00885	0.6
111.08121	0.5
113.02444	7.3
119.03545	2.2
120.25264	0.5
125.02407	2.9
129.01952	0.7
135.04485	0.5
137.02515	0.5
143.03477	1.8
145.02969	0.5
147.02972	0.5
160.01625	0.5
161.04547	2.1
165.04030	0.7
165.12840	8.4
179.05563	0.7
183.13884	69.3
184.14197	2.9
203.36580	0.5
209.11772	1.0
221.06619	1.4
227.12865	9.8
235.08235	1.5
249.06107	0.5
267.07187	1.4
277.93753	0.5
284.03183	1.0
375.27435	2.7
378.65894	0.5
397.13446	4.5
411.45322	0.5
415.14441	2.0
426.25299	0.5
463.64093	0.5
505.33459	0.6
521.32983	1.0
607.26660	0.6
624.80780	5.6
625.26868	100.0
626.17596	0.7
626.27307	11.4
626.34674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03440	4.1
59.01378	5.3
60.61320	0.3
61.98820	0.4
67.01884	1.8
68.99812	1.6
69.03447	1.1
70.08845	1.3
71.01379	5.2
72.99295	0.6
73.02939	0.4
75.00871	1.2
83.01378	1.5
85.02945	9.0
85.06561	0.5
86.00099	0.4
87.00880	3.2
87.97319	0.3
89.02440	1.4
89.61625	0.3
91.04002	0.8
93.03435	0.5
95.01406	1.6
96.52125	0.3
97.02926	0.5
101.02437	0.6
111.00851	2.1
113.02446	5.5
114.11876	0.3
121.02927	0.3
129.01903	0.7
137.02318	0.4
139.00348	1.1
147.02956	0.3
147.04515	0.3
148.05270	0.3
155.45961	0.3
157.01421	0.6
161.02469	0.3
173.04575	0.5
183.10159	0.4
183.17464	0.6
185.15417	0.4
189.04073	0.5
205.07050	0.4
209.02908	0.4
227.16499	1.8
239.16557	0.5
240.03868	0.3
258.05579	0.3
263.07663	5.1
271.22791	0.9
284.03250	0.6
295.22745	0.4
299.05414	0.7
311.25775	2.2
313.23819	9.9
314.24176	0.9
323.26117	0.4
325.23938	0.5
337.09488	0.4
341.26913	2.4
351.97775	0.3
359.27997	93.4
360.28320	7.9
464.24197	0.4
591.33862	1.2
623.36438	100.0
624.36841	11.7
651.39795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97770	1.5
61.98830	100.0
70.95607	2.6
70.95947	1.9
138.56328	1.3
140.93373	1.3
141.93362	1.4
156.12088	1.6
181.35678	1.6
187.02293	1.5
422.99643	1.6
549.26636	1.7
599.82959	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
63.02385	0.7
64.07954	0.3
65.00334	0.7
68.58183	0.3
70.91295	0.4
70.91606	0.6
83.01400	0.4
89.02454	0.4
96.93467	0.4
107.01401	1.7
108.02173	1.0
120.74403	0.4
121.02921	1.2
135.00897	0.6
135.13753	0.4
137.85838	0.4
148.01659	1.5
151.00372	7.7
160.86177	0.4
163.00345	1.1
164.01184	0.6
178.99857	5.2
187.04010	0.5
193.01422	0.4
199.03986	1.0
211.03941	0.5
215.03502	0.8
226.02753	1.0
227.03413	3.3
243.02966	9.5
244.03708	0.4
254.02095	2.0
255.02974	24.3
256.03339	1.5
271.02469	49.6
272.02960	4.4
273.03979	0.8
283.02521	0.5
299.01865	2.7
300.02734	100.0
301.03381	16.8
302.03961	1.0
316.24896	0.4
445.07501	0.9
463.08704	0.8
505.09930	0.6
625.14056	79.4
626.14465	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	625.1408
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
57.01511	0.6
58.83694	0.6
59.01376	1.7
65.00307	1.5
67.01884	1.0
70.71851	1.9
71.01381	1.8
73.02958	0.8
73.69872	0.5
89.02433	1.3
92.34221	0.6
93.03480	0.7
96.99334	1.1
111.00887	13.7
119.01422	0.7
125.02364	1.1
135.00827	2.1
136.98814	2.8
137.02419	1.5
139.00371	53.8
139.99615	0.7
140.01169	10.6
141.01917	2.3
147.00847	4.4
147.04427	0.9
148.01663	1.7
149.02440	3.1
153.01918	2.3
155.03494	10.6
164.98296	10.0
165.98972	1.4
166.99908	1.5
175.00360	1.1
178.99828	1.9
181.01439	4.3
182.02246	0.7
182.99335	1.4
191.05598	0.8
199.03941	0.9
203.03516	0.9
227.03481	1.5
235.42316	0.6
243.02942	3.6
258.15854	0.7
262.43970	0.6
271.02487	6.6
272.03128	1.8
285.04111	0.7
287.05569	2.3
297.00366	1.1
298.01031	1.5
301.03656	1.0
313.03516	1.4
315.01447	37.1
316.01776	3.7
317.03076	3.2
329.02997	2.6
330.03647	1.5
331.04373	1.5
366.27481	0.7
434.10532	2.2
610.11926	0.8
625.14032	100.0
626.14307	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	625.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75318	1.0
55.01848	0.9
57.03432	1.6
59.01381	18.6
61.98826	9.5
69.50613	0.9
71.01045	1.2
71.01373	9.8
71.54339	1.4
72.99335	1.1
73.02921	2.9
75.00851	4.6
85.02947	5.1
87.00874	20.4
89.02433	5.8
91.05524	1.0
93.03429	3.9
96.95984	1.5
97.06590	9.3
99.00861	1.5
101.02434	5.2
103.00372	1.3
103.05510	1.4
105.03454	1.5
107.05023	7.6
111.04514	2.0
112.05276	5.7
113.02447	4.9
113.06071	1.3
117.03431	1.8
119.04987	3.9
121.02948	33.4
122.03778	5.7
123.04459	2.6
125.02405	1.2
130.99864	5.2
133.02888	1.1
134.03679	1.6
135.04466	3.8
137.02396	3.3
145.02965	6.0
147.03375	1.3
147.04507	26.2
148.05283	5.7
149.02409	1.8
149.06021	2.8
150.03226	1.4
160.01637	1.8
161.02385	4.1
161.09676	1.5
162.03140	4.1
163.04037	6.1
164.04739	1.9
165.03983	4.2
165.05495	2.5
165.12793	3.5
173.04483	2.1
173.05865	1.0
175.00249	2.0
177.05533	1.6
179.05621	1.8
183.13876	19.6
187.11217	2.3
189.09203	1.8
191.03432	7.0
191.05336	1.7
191.07135	1.3
191.10712	1.2
192.04207	4.1
193.04936	4.3
194.02063	1.9
195.06560	2.0
201.05525	1.3
201.09157	2.7
205.12344	1.2
219.10191	2.6
227.12766	2.8
230.05762	1.7
243.10474	1.2
245.11812	1.3
249.11273	2.1
254.04268	4.6
261.11191	2.1
273.07507	1.4
289.10657	2.7
291.08670	6.3
299.05487	2.3
311.05536	1.2
351.10809	100.0
352.11026	5.8
357.11862	1.7
361.25800	2.7
375.27673	1.6
505.33670	3.1
521.32892	2.7
549.29175	1.0
595.13757	1.2
607.23499	2.1
625.26227	37.0
625.33661	3.3
626.26666	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	623.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03435	3.2
59.01380	42.5
61.98825	3.0
65.14468	0.7
67.01878	1.0
69.03488	0.6
70.45135	2.1
71.01379	19.0
71.05029	1.3
72.99303	1.6
73.02946	5.7
75.00869	13.5
81.03448	1.4
83.01385	3.2
83.05037	0.9
85.02457	0.9
85.02951	14.1
85.06554	0.9
87.00874	12.0
89.02440	6.8
90.94305	0.6
93.03454	6.3
93.07086	3.3
95.01368	3.0
96.96002	1.9
97.02950	1.1
97.06568	1.1
99.00884	2.2
99.04527	1.9
101.02445	11.3
107.05048	0.8
109.06566	0.7
110.00084	0.8
111.00861	0.8
111.04488	1.1
113.02448	9.8
119.03453	1.9
119.05014	1.0
121.02977	1.4
123.04510	4.3
123.08140	0.8
125.02452	1.7
125.06031	0.7
129.01927	3.8
129.09222	2.2
130.99861	1.4
131.03435	0.9
134.03761	1.0
137.02449	1.6
139.11176	0.7
143.03487	1.4
143.10782	1.7
145.02969	1.7
147.03087	1.1
147.04509	2.9
149.02417	1.2
149.04495	1.4
149.06053	3.7
150.03227	0.8
154.30568	0.6
155.03513	0.7
159.03090	1.0
160.01637	0.7
161.02388	1.3
161.04590	2.8
163.00288	0.8
163.04030	1.4
164.04753	1.0
165.01935	1.5
165.04039	31.8
165.05441	2.0
166.04362	1.3
167.04497	1.0
171.10260	0.6
173.04553	13.5
173.06004	1.7
173.11784	2.6
174.04979	0.7
175.03999	2.7
179.05566	0.8
180.04298	1.0
187.04041	1.3
188.04741	1.0
189.05606	0.8
190.06335	2.0
190.99886	2.5
191.01859	0.8
191.05643	0.9
191.07153	1.2
192.04286	0.7
193.05042	3.5
194.41386	0.6
194.78680	0.6
195.02940	1.3
195.06618	1.1
199.03934	1.6
200.04797	2.0
205.08717	1.6
208.07323	1.6
211.03923	1.1
215.16467	4.3
217.08553	0.7
219.02846	0.8
223.06067	2.5
227.03442	4.3
228.04245	3.1
239.03539	1.3
240.04243	6.4
245.17577	7.9
255.02899	3.9
255.05190	5.0
256.03635	2.0
271.02472	1.4
283.02502	4.1
284.03244	90.1
285.03610	10.0
299.05588	100.0
300.02704	1.3
300.05875	9.2
314.04340	5.1
315.04977	0.8
327.11868	0.7
329.06641	9.0
349.09305	2.0
357.26453	1.7
375.27417	2.6
389.16064	8.8
389.21796	3.8
390.16443	0.8
407.22992	3.9
409.08817	0.8
431.22659	0.8
519.31720	87.3
520.31995	8.8
537.32825	18.5
538.33069	1.6
579.33899	7.8
580.34161	1.6
605.14856	5.5
623.15924	1.2
623.27002	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	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97850	0.2
57.03442	0.7
59.01375	3.8
61.98819	0.3
67.01878	0.6
69.25166	0.4
69.25561	2.0
71.01389	1.4
71.50815	0.3
72.99305	0.3
73.02950	0.8
75.00879	1.4
79.91277	0.2
79.94345	0.2
83.01398	0.3
85.02943	1.8
87.00877	2.8
89.02438	1.4
93.03460	2.4
99.00874	0.6
101.02442	0.9
107.01380	0.3
109.02970	1.0
111.04545	0.3
113.02428	0.8
116.38515	0.3
119.04996	0.3
123.04504	1.5
123.38440	0.3
125.02456	0.6
129.01929	0.5
130.99861	0.4
137.02443	0.8
147.00885	0.4
147.04491	0.8
148.01691	0.4
149.02478	0.6
149.04668	0.3
149.06088	0.8
151.04022	0.4
152.01134	0.4
155.03465	0.5
159.04529	0.5
160.11188	0.3
160.98833	0.5
161.02400	0.6
161.99609	1.2
163.00414	0.4
163.03992	0.8
164.04742	0.3
165.01923	0.5
165.04053	3.4
165.05402	0.4
166.04327	0.5
171.04517	1.5
173.02315	0.3
173.04607	1.6
173.05968	0.4
174.03140	0.3
175.03981	1.4
175.07541	0.3
176.04758	0.6
179.03522	0.4
179.07175	0.3
180.04297	1.0
183.04520	0.6
187.04019	0.9
188.04794	0.3
189.05597	1.1
189.99115	0.5
190.06326	1.6
191.01981	0.3
191.05615	0.4
191.07143	1.1
193.05048	1.2
194.05847	0.8
199.03998	3.9
205.08650	1.2
207.06615	0.7
208.07420	1.1
211.03967	0.6
215.03499	2.1
217.08774	0.3
227.03465	5.5
228.03909	0.4
230.05765	0.3
243.02985	5.7
253.01372	0.9
254.01851	0.5
255.02940	7.4
255.05145	0.7
256.03305	0.6
258.05273	0.7
270.01755	0.6
270.05316	0.8
271.02460	14.8
272.02768	0.9
281.00870	0.3
282.01617	0.9
284.03235	1.0
285.03888	0.4
293.08905	0.4
296.03165	0.6
298.01266	0.7
298.04639	0.6
299.01971	16.7
300.02563	2.5
313.03613	1.1
314.04300	74.9
315.04688	6.1
329.06631	100.0
330.06943	7.0
349.09338	0.4
364.14163	0.3
389.16043	11.7
390.16309	0.8
419.17126	0.4
461.11102	0.7
503.19299	0.5
519.31647	1.9
520.31158	0.3
537.32532	0.4
579.33295	0.4
595.12994	0.3
605.14709	1.6
623.15857	3.4
624.16718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03437	0.9
59.01378	6.7
59.87807	0.3
60.01702	0.3
60.99299	0.7
65.03962	0.2
67.01884	5.7
69.03458	1.3
69.45518	0.3
69.50721	1.1
71.01384	4.9
72.99302	0.4
73.02939	0.8
75.00869	5.5
79.05284	0.2
81.03446	0.7
83.01372	0.5
83.05024	0.9
85.02951	2.3
87.00872	2.6
89.02451	0.9
93.03456	28.8
94.03802	0.6
95.01382	0.6
97.02914	0.4
99.00867	0.6
101.02441	1.2
103.00371	0.4
109.02952	1.1
111.00871	0.8
111.04519	4.9
113.02406	1.1
119.03447	0.3
121.02951	0.7
123.04491	0.5
127.03999	0.3
127.43255	0.2
129.01923	1.5
130.99869	0.3
134.03728	0.2
135.04520	0.2
137.02448	4.7
138.03011	0.3
147.02960	0.6
149.02457	2.7
149.04501	0.3
149.06061	0.4
152.01134	0.5
155.03516	4.2
161.04538	0.5
163.04008	0.5
164.04764	1.8
165.01929	6.4
165.04045	12.4
166.04407	0.6
173.04544	100.0
174.04903	3.5
175.03996	0.6
179.03468	1.2
179.07109	0.7
180.04294	4.3
181.04642	0.3
190.06348	0.6
191.01985	0.4
191.05632	0.3
193.01410	1.5
193.05002	0.5
194.05853	0.5
195.02963	0.3
195.06619	5.2
208.03773	3.0
208.07231	0.3
209.03053	0.3
210.05333	0.8
211.05884	0.2
223.06102	9.3
224.06367	0.3
225.07663	4.7
228.86005	0.2
231.81029	0.3
255.05263	0.4
343.95813	0.3
389.16141	2.2
401.12323	0.9
404.14218	0.3
431.23013	0.5
449.14722	1.2
519.26636	0.3
519.33136	0.3
537.28192	0.3
563.21167	1.7
581.22528	0.8
605.14886	1.0
623.17676	1.5
623.27179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01377	3.2
61.98837	0.5
65.00335	0.5
67.01882	1.4
69.03452	1.0
71.01388	2.5
71.54195	0.6
72.99288	0.5
73.02927	0.7
74.30553	0.4
75.00868	4.3
81.03465	1.1
83.05005	2.1
85.02947	0.8
87.00873	5.2
93.03451	10.5
94.03777	0.6
99.00864	0.5
101.02431	0.4
109.02933	1.3
111.04527	5.3
111.81765	0.4
113.02429	0.6
116.37997	0.5
119.05050	0.7
121.02948	4.7
122.25164	0.4
123.04496	1.0
127.03954	0.8
129.01949	2.1
130.99817	1.5
131.07115	0.5
133.06587	0.6
134.03755	0.6
135.04497	2.1
137.02446	7.7
147.04503	1.4
148.01642	0.7
149.02434	23.8
149.06036	1.9
150.03087	0.9
151.04028	1.0
152.01144	4.0
155.03491	6.2
161.02415	0.8
163.04002	5.5
164.04785	16.6
165.01920	56.6
165.03963	8.6
165.05443	1.3
165.28343	0.5
166.02301	1.5
166.04381	1.4
167.03311	0.8
167.04536	1.5
169.04988	1.7
173.04536	27.1
174.04924	0.9
175.03987	0.7
177.05550	0.5
179.03477	8.7
179.07088	4.9
180.04271	36.4
181.04727	1.9
184.35022	0.4
193.01413	12.4
193.05043	2.1
194.05865	1.4
195.02969	2.2
195.06607	45.4
196.06985	1.8
196.63867	0.5
208.03748	30.4
209.04189	1.1
210.05325	9.4
223.06094	100.0
224.06442	4.7
225.07661	50.5
226.08110	2.3
253.03452	0.7
254.04161	0.7
267.06598	0.6
299.09320	0.8
300.02887	0.6
315.05142	0.7
327.08542	0.8
342.11111	0.7
401.12357	7.5
402.12347	0.6
449.14471	18.6
450.14951	1.7
569.57635	0.6
605.15161	0.7
623.19409	9.4
624.19598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48367	2.2
57.03449	3.3
59.01377	52.7
61.98834	13.1
67.01905	2.5
67.34621	1.9
68.99827	4.0
71.01380	39.4
71.54485	3.2
72.99298	3.1
73.02951	10.8
74.92522	2.8
75.00865	19.3
78.95867	2.8
83.01381	4.2
85.02944	23.6
87.00869	23.4
88.98785	6.2
89.02428	11.2
91.05486	2.9
93.03455	9.2
95.01400	3.6
96.96013	2.9
99.00877	16.0
101.02448	13.5
103.05621	2.8
105.03493	5.3
108.02190	4.3
111.00892	4.1
113.02445	18.7
117.03461	18.5
119.03516	2.9
119.05020	15.0
121.02946	9.6
122.03729	8.6
123.04475	4.0
125.02461	3.7
130.99854	3.5
131.03442	3.0
133.02948	5.4
134.03716	3.2
135.04533	5.7
137.02432	46.3
139.04042	15.9
141.69025	2.5
143.03545	4.1
145.02945	64.5
146.03278	5.4
147.04510	65.0
148.05310	28.3
149.06038	6.7
160.01639	4.7
161.02437	8.1
161.04565	2.6
163.03998	10.8
163.06110	3.7
164.04698	5.7
165.04015	7.3
173.04572	5.7
173.05963	3.1
175.04013	6.5
184.95003	2.6
187.03976	3.6
191.01891	4.2
191.03502	7.8
191.05573	4.5
192.04259	37.6
193.05002	6.8
201.05548	9.5
205.07111	5.8
207.02971	6.8
214.06200	3.1
215.07240	2.4
224.03181	4.8
236.03249	27.3
237.03833	3.6
255.02982	3.2
273.12845	2.3
283.02472	2.5
284.03198	9.2
285.03937	3.6
289.10815	2.3
299.05664	3.7
323.07880	3.0
333.05804	4.2
333.09753	66.7
333.13617	4.1
334.10068	3.5
359.28040	23.3
375.27335	2.7
380.21033	3.2
415.22955	6.5
460.23056	2.9
475.28467	3.5
568.45129	2.5
579.33777	10.5
614.28638	5.5
623.28284	100.0
623.68872	3.4
623.79126	52.1
624.29431	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73797	0.3
52.96051	0.4
55.01909	0.4
56.62531	0.3
57.03493	0.4
57.37904	0.3
59.01105	0.5
59.01426	8.4
61.98857	0.8
63.02411	0.4
67.01925	0.4
69.03497	0.3
71.01382	4.3
71.54227	0.5
72.99342	0.7
73.03005	1.5
75.00874	4.1
78.17176	0.3
83.01449	0.9
85.02941	4.2
87.00867	3.3
89.02525	1.2
93.03527	1.3
95.01455	0.9
99.00903	0.9
101.02428	2.6
107.01414	0.5
108.02233	0.6
109.03021	0.7
111.00955	0.7
113.02441	2.7
117.03549	0.5
119.05058	0.8
121.03013	0.8
123.00935	0.7
123.04600	1.0
124.01673	0.5
129.01968	1.0
130.99936	0.6
133.02940	1.7
133.66391	0.4
134.03752	0.4
135.04608	1.1
137.02423	4.4
138.03235	1.8
139.00421	0.7
139.04063	0.8
145.02953	2.8
147.04515	3.2
149.06151	0.7
150.03386	0.4
151.00436	1.5
151.03984	3.9
152.01227	0.7
152.04852	1.0
153.01994	0.5
153.05597	1.8
158.03723	0.5
159.04568	0.4
161.02434	4.5
161.04616	0.8
162.03290	0.3
163.03996	4.5
164.04572	0.5
165.01955	1.1
165.02625	0.5
165.04047	7.4
165.05484	0.7
166.02763	0.4
166.04442	0.5
166.06427	0.7
171.04620	0.4
173.02478	1.2
173.04591	3.0
173.06064	0.7
174.03210	3.1
175.03976	16.5
176.04729	3.8
177.05531	2.3
178.02686	0.4
178.99910	0.8
179.03610	1.5
180.04276	5.9
181.05103	0.6
183.04575	0.7
187.04134	0.7
188.04762	4.1
189.05557	6.8
189.07112	0.4
190.06339	20.1
191.02000	0.8
191.03578	1.1
191.07109	14.1
192.04359	1.3
192.07510	0.7
193.05054	8.5
193.06781	0.4
194.05820	6.0
198.05508	0.4
199.04004	2.0
202.06496	0.9
203.03598	0.5
203.07117	2.9
205.08670	16.9
206.09108	1.0
207.06612	6.3
208.07388	11.5
209.07843	0.7
211.04002	0.6
215.03603	1.3
217.05070	0.4
222.09047	1.9
223.06198	0.4
223.09758	1.1
227.03528	2.6
229.05075	0.4
233.08180	0.8
242.02216	2.7
243.02963	10.9
244.03673	0.5
255.02861	3.7
256.03476	0.5
257.04507	2.0
269.04514	9.5
270.01703	2.3
270.04764	0.7
271.02448	13.0
271.05399	0.7
272.02963	1.2
284.03378	1.5
285.03937	4.6
286.04794	1.2
287.05374	0.6
299.01953	19.7
299.05423	1.3
300.02560	5.2
313.07123	0.5
314.04285	24.0
315.05014	10.2
316.05490	0.5
329.06677	0.6
329.10275	0.7
334.22415	0.4
349.09308	0.8
355.12097	0.4
358.10510	0.6
358.14838	0.4
359.11066	1.3
371.11304	0.6
373.12985	1.3
374.13715	3.1
389.16022	100.0
390.16348	8.2
404.14429	0.7
419.16968	4.0
420.17163	0.6
461.17447	0.4
467.57370	0.4
503.18954	0.5
508.40417	0.4
519.31726	5.2
533.20087	1.0
537.32526	1.1
563.21271	7.3
564.21613	0.8
579.33472	1.1
581.22314	4.1
605.14655	1.4
623.15918	30.3
623.25024	3.8
624.16278	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	623.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03444	3.6
58.00585	0.8
59.01379	18.0
60.91935	0.6
61.98829	1.9
67.01862	0.8
69.03469	1.1
69.42758	4.2
69.55131	0.5
71.01381	14.8
72.99313	1.8
73.02947	4.4
75.00879	2.3
80.63138	0.5
81.03459	1.0
83.01405	2.6
83.05019	1.5
85.02950	8.4
87.00885	8.0
88.98859	0.7
89.02442	3.3
93.03459	7.7
94.30521	0.5
95.01395	1.6
97.02959	0.6
99.00891	1.9
101.02435	7.7
109.02966	0.6
111.00894	1.7
111.04518	6.6
113.02432	5.3
119.03479	0.8
121.02999	0.6
123.04456	0.7
124.01641	0.6
125.02448	1.3
127.04014	0.7
129.01910	1.4
130.99861	1.1
131.41911	0.6
132.64027	0.5
134.03676	0.7
137.02443	1.9
141.12856	1.3
145.02928	0.8
149.06166	1.0
155.03497	7.1
159.82747	0.6
161.02417	0.7
165.04044	1.4
173.04538	20.5
175.03987	0.7
185.11902	0.9
191.03931	0.5
191.05609	2.9
221.19118	0.6
233.96761	0.6
241.21799	0.7
249.06158	0.8
269.21152	2.7
271.02478	0.8
284.03287	0.9
287.22260	34.2
288.22696	2.2
299.01877	2.0
301.20166	2.3
314.04108	0.9
328.02393	0.7
329.03040	0.8
329.06726	2.5
359.02609	0.5
359.07410	1.2
373.25854	3.9
374.26398	0.9
375.27094	2.6
431.26495	5.3
444.54117	0.7
449.27524	100.0
450.27899	9.2
503.32336	2.2
519.31677	2.2
521.33649	0.9
579.33710	4.3
605.15033	1.7
606.15503	0.7
623.32794	88.8
624.33179	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	623.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20594	0.5
52.06885	0.4
55.01858	0.6
57.03449	3.1
57.60889	0.4
59.01379	11.0
61.40456	0.4
61.98808	1.4
67.01888	0.6
68.99805	0.6
69.03432	0.7
71.01377	8.7
72.99296	3.8
73.02939	1.6
75.00867	9.9
80.87087	0.4
83.01373	0.7
85.02940	12.4
87.00869	4.6
89.02460	2.2
93.03447	1.2
95.01399	2.2
99.00874	5.5
101.02433	1.3
103.00345	1.2
111.00894	0.8
111.08132	0.6
113.02441	10.3
115.00334	1.3
117.01936	1.3
118.34811	0.4
123.08125	0.6
123.83370	0.5
125.09675	1.5
127.11290	1.2
129.01932	1.2
137.09650	0.6
149.04587	0.5
155.10751	1.6
165.03951	0.9
171.10291	5.5
173.04507	1.6
175.02432	1.0
175.03882	0.5
203.53990	0.4
205.89043	0.5
216.20967	0.5
229.14395	0.5
231.05040	0.8
249.06085	6.8
267.07199	0.5
299.05493	0.5
355.24841	1.5
359.28204	0.6
371.24048	1.0
373.25894	36.6
374.26199	2.6
375.27402	2.8
449.27463	0.8
503.32492	2.6
519.31952	0.5
550.70886	0.5
563.33124	0.6
579.33826	1.0
623.32751	100.0
624.33124	13.4
632.44421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03449	2.2
58.00586	0.5
59.01378	21.0
63.98295	0.4
67.01878	0.4
68.99831	0.4
69.03442	1.3
71.01382	17.0
71.53968	0.5
72.99299	3.3
73.02946	1.4
75.00865	9.0
78.83173	0.3
83.01371	1.0
85.02950	20.1
87.00874	8.5
89.02444	5.9
89.23064	0.4
91.03979	1.1
93.03446	0.7
95.01382	4.0
97.02941	1.1
99.00883	6.0
99.04494	0.5
101.02429	1.5
102.66653	0.3
103.00373	1.9
111.00891	1.1
112.01691	0.6
113.02450	28.3
114.02773	0.5
115.00367	1.0
117.01908	1.8
123.04484	0.8
125.02471	3.1
127.03970	0.5
129.01950	1.9
131.03485	1.3
137.02495	0.5
139.00348	0.5
139.20406	0.4
149.04477	0.5
155.18750	0.4
157.01407	0.7
159.03004	0.6
165.05603	0.5
175.02469	1.3
175.03880	0.4
191.05608	0.6
193.03470	3.1
205.07126	2.1
207.05038	1.4
223.04669	0.4
231.05116	0.7
247.08197	1.1
249.06125	6.0
249.94615	0.4
267.07199	100.0
268.07501	4.0
291.07220	9.6
309.08481	0.4
335.06192	16.8
336.06549	0.9
419.08194	0.6
446.07922	0.4
461.10593	1.1
474.26199	0.4
499.83575	0.4
605.13818	0.5
623.14349	8.2
624.14734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.7
57.03468	1.1
59.01376	10.0
60.85288	0.4
61.98844	0.9
65.18022	0.4
71.01386	5.8
71.53806	0.6
72.99314	0.7
73.02980	1.8
75.00864	4.0
83.01410	1.0
85.02939	5.2
87.00871	3.6
89.02445	2.7
93.03497	1.8
93.26970	0.4
95.01382	0.5
99.00915	0.9
101.02450	2.8
107.01421	0.8
108.02183	0.6
109.02953	0.6
111.00882	0.9
113.02443	3.5
117.03504	0.4
119.03545	0.6
119.05067	0.4
123.00907	1.1
123.04575	1.4
124.01740	0.7
125.02491	0.8
129.01993	1.3
132.02110	0.4
133.02995	1.1
135.04533	0.5
137.02440	3.4
138.03246	1.2
139.00398	0.6
139.04044	0.5
143.05045	0.6
145.02953	2.9
147.03381	0.5
147.04494	2.6
149.02461	0.5
149.06171	1.0
151.00340	2.0
151.04002	3.8
151.05022	0.5
152.01196	0.9
152.04765	0.6
153.01933	0.5
153.05585	1.7
159.04480	0.9
161.02414	4.3
161.06163	0.5
162.03221	0.7
163.00401	0.5
163.04001	4.6
164.04871	0.4
165.01990	0.8
165.04034	7.9
165.05356	0.4
166.06328	0.6
167.07248	0.4
171.04515	0.5
173.02452	0.9
173.04584	2.5
173.05991	0.6
174.03192	2.8
175.03987	12.9
176.04750	2.8
177.05583	1.8
178.99922	1.2
179.03514	1.1
180.04248	6.3
181.05005	0.7
183.04597	0.9
187.04089	0.9
188.04762	2.7
189.05550	5.6
190.06334	17.0
191.03586	0.7
191.05629	0.4
191.07115	11.1
192.04242	1.3
193.05052	7.0
194.05798	5.0
195.06555	0.9
198.05348	0.5
199.03973	3.4
202.06424	0.5
203.03535	0.5
203.07150	2.1
205.08667	15.3
207.06586	6.0
208.07390	11.8
209.02931	0.5
215.03622	1.3
215.16574	0.5
217.08783	0.4
221.08177	0.5
222.08994	1.8
223.09770	0.9
227.03505	2.9
233.08150	0.7
242.02275	1.8
243.02946	12.3
243.05276	0.7
244.03551	0.7
245.17760	0.5
255.02934	4.5
255.05133	0.6
257.04538	2.2
263.77325	0.5
269.04523	12.3
270.01852	2.3
270.04663	0.7
271.02466	16.6
272.02911	1.2
284.03247	2.2
285.03986	4.5
286.04697	1.4
287.05716	1.1
299.01987	24.2
299.05499	1.6
300.02649	6.6
301.03159	0.8
313.03574	0.6
314.04294	31.5
315.05045	11.2
316.05542	0.8
325.07227	0.5
329.06595	0.9
355.12103	0.6
358.10345	0.5
359.11343	1.1
371.11337	1.2
373.12955	1.1
374.13693	1.9
389.16034	100.0
390.16324	6.7
401.16257	0.6
404.14560	1.2
419.16910	4.7
419.93344	0.4
442.63287	0.5
519.31714	7.2
533.19879	1.2
537.33118	1.1
563.21259	10.2
579.33655	0.8
581.22266	4.9
605.14886	2.0
623.16010	38.8
623.25208	7.4
624.16486	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	621.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01376	7.1
61.98829	0.6
69.03445	0.9
70.40980	1.3
71.01060	0.4
71.01382	3.1
71.43801	0.4
72.99300	0.8
73.02955	0.7
75.00870	3.9
81.03416	0.5
83.01315	0.5
84.02190	0.6
85.02948	4.2
87.00867	2.7
89.02441	1.6
93.03439	0.8
95.01393	1.4
96.96005	0.8
97.02979	0.6
99.00889	1.3
101.02447	0.9
109.02949	2.0
113.02433	2.1
119.05026	0.5
121.02927	1.1
122.40537	0.5
123.00896	2.3
123.04526	1.1
125.02433	1.4
129.01912	1.4
137.02438	8.0
145.02954	0.6
147.04503	0.7
149.02448	1.2
151.00352	17.1
151.03984	1.7
152.01085	1.6
152.04771	2.1
153.01718	0.4
159.04512	0.7
161.02423	0.6
163.03963	1.1
164.04787	0.7
165.01945	0.9
165.02655	0.6
165.04045	8.3
165.05440	0.8
166.02701	55.5
167.03369	3.3
173.04578	1.2
173.05965	0.5
175.03969	1.6
177.01959	2.1
178.02715	0.8
181.05057	69.5
182.05394	2.4
184.03761	0.7
185.01198	0.5
190.02676	0.6
190.06284	1.4
191.01889	0.7
191.03488	0.8
191.05603	1.2
192.04294	1.3
193.05025	1.4
195.03027	0.6
203.05359	0.4
205.05109	1.2
205.08768	0.9
207.06613	1.5
209.02995	0.6
227.03452	0.7
249.06229	0.8
255.02959	1.6
260.48990	0.5
267.07108	2.6
284.03262	1.8
285.03940	0.8
329.10309	0.6
338.08170	0.7
341.10345	0.8
353.10291	1.0
359.11301	1.4
371.15057	0.7
387.10834	13.6
388.11185	1.1
402.13181	7.1
403.13538	0.6
417.15515	100.0
418.15784	10.2
489.13135	1.1
517.29913	2.9
559.15973	0.6
591.17102	1.1
603.16779	1.0
621.16321	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	621.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
57.03436	4.6
57.87298	1.1
58.00581	1.5
59.01379	100.0
59.15490	0.9
59.51584	1.0
61.98815	1.5
69.03451	1.3
69.50861	7.1
71.01381	45.1
72.99308	2.9
73.02943	23.0
75.00874	20.7
83.01408	5.6
84.02145	1.8
84.22594	1.1
85.02946	39.1
86.03297	1.6
87.00881	8.7
89.02444	33.4
93.03438	2.2
95.01382	3.6
97.02982	1.1
98.20669	1.5
99.00876	2.4
101.02442	28.6
113.02449	25.7
117.02022	1.1
119.03510	14.4
119.04948	1.3
121.02940	2.0
122.03805	1.0
123.04530	1.3
125.02425	3.3
129.01930	8.5
130.99872	1.4
131.03468	2.1
132.09531	1.3
134.03725	3.7
135.04497	1.3
137.02473	1.1
143.03485	3.3
145.02928	2.9
147.03000	3.7
147.04488	3.9
149.04526	2.8
149.06059	4.6
151.00391	1.3
155.03561	1.3
161.04562	8.8
163.04007	2.5
164.48024	1.0
165.04036	50.1
165.05432	2.7
167.16843	1.1
173.04536	4.0
175.03926	1.7
179.05614	8.6
183.20618	1.1
191.01988	7.2
191.03523	1.7
191.05600	2.3
193.05133	1.1
204.49504	1.2
205.03560	1.4
217.90373	1.1
227.03485	5.3
228.04057	1.1
255.02969	7.3
256.03232	2.1
271.02356	3.9
284.03223	9.2
285.03687	4.9
300.02682	3.7
355.21283	1.6
397.09146	2.6
403.10040	1.6
413.99005	1.1
429.08319	2.1
454.77719	1.3
517.26538	48.3
518.26617	5.3
535.27588	30.9
536.27905	2.9
577.28510	11.9
578.29089	2.2
603.13440	1.4
621.14667	7.4
621.24213	3.3
622.14191	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	621.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
57.03448	2.0
58.00576	0.4
59.01376	8.6
61.98799	0.9
67.01898	2.3
68.99786	1.8
71.01385	7.1
71.02461	0.9
72.99289	0.8
73.02945	0.6
75.00838	0.5
78.95885	0.5
81.07090	0.4
83.01353	1.7
83.04990	0.5
84.02144	0.5
85.02951	9.0
87.00861	4.1
88.98792	0.4
89.02409	1.7
91.03955	0.7
93.03422	0.8
93.07095	2.9
95.01398	2.1
96.96007	0.5
97.02907	0.5
97.06588	0.5
99.00824	0.6
101.02399	1.2
111.00857	2.3
113.01742	0.4
113.02452	6.1
115.03959	0.5
121.02919	0.7
123.08105	0.5
129.01915	1.0
130.99840	0.4
139.00331	1.2
149.04514	0.8
157.01489	0.4
161.02347	0.5
165.04070	0.5
175.00261	0.5
190.02673	1.1
191.05540	1.1
195.06546	0.4
205.04982	1.4
205.06801	0.5
209.11739	0.6
215.06958	0.4
223.06151	0.5
227.16498	15.0
228.16837	0.7
263.07690	5.6
268.03708	1.0
283.02893	0.5
283.06052	2.1
284.03253	0.5
293.21164	0.5
297.24323	1.9
321.24347	0.5
327.25351	17.9
328.25729	0.6
339.25363	2.4
355.24902	0.6
357.26416	66.5
358.26813	6.1
505.33670	0.4
505.41718	0.5
589.32104	1.8
621.34955	100.0
622.35358	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	621.1825
Annotation	Afrormosin 7-O-laminaribioside
Peak:m/z	Relative Intensity
55.01854	3.1
56.67634	1.0
57.03457	5.5
57.03687	1.0
57.94037	1.1
58.00557	1.1
59.01377	36.2
65.86732	1.1
68.99776	2.3
69.47799	6.0
69.48206	2.5
71.01012	2.0
71.01382	36.4
72.99305	10.7
73.02930	4.1
75.00872	35.4
81.03440	1.4
81.52306	1.0
83.01387	3.6
85.02947	46.0
87.00871	17.4
89.02441	11.0
91.04005	1.6
93.03431	4.4
95.01376	9.6
96.96004	12.3
99.00879	18.5
100.84185	1.1
101.02434	4.7
103.00345	3.3
108.02126	2.1
109.02925	1.3
113.02450	41.9
115.00369	2.1
117.01922	4.2
119.04987	2.7
121.02954	2.4
123.04501	3.3
125.02439	1.7
129.01912	4.6
135.02979	1.1
137.02391	1.3
145.02892	3.1
147.02982	1.8
147.04480	3.6
148.05196	2.5
149.06013	2.3
157.01347	2.0
160.01692	1.3
161.04549	1.0
163.03970	2.5
165.04065	13.9
165.05434	1.7
166.02695	2.7
173.02393	1.5
173.04517	4.8
173.05867	1.3
174.03195	6.9
175.02486	3.5
175.03954	2.5
181.05037	3.2
191.01880	2.7
191.03487	1.2
191.05597	3.5
191.07138	2.6
193.05034	1.9
197.05891	1.2
202.02650	2.2
206.02113	1.6
207.08197	1.8
209.02963	1.1
211.07745	1.4
217.05034	2.2
221.06093	1.2
223.07599	3.1
227.03479	3.4
231.05054	2.2
234.06989	1.2
235.05858	2.3
235.07858	2.1
237.05515	2.9
239.07062	2.3
248.04660	1.5
249.06123	30.6
250.06357	4.3
251.07109	6.2
252.07982	1.2
254.80470	1.2
255.02924	6.0
256.03320	1.6
262.06219	2.5
263.07117	4.9
264.07874	3.8
265.04868	2.2
265.08643	1.8
265.50821	1.5
266.05637	1.7
267.07123	86.8
268.07343	4.8
277.05017	1.5
279.06564	11.8
279.10126	5.2
280.07245	4.0
281.08087	1.4
282.08954	6.0
283.09613	2.9
284.03296	9.7
284.06210	1.6
285.03918	2.8
286.08163	1.7
293.04523	3.5
293.07996	2.5
294.05313	4.3
294.08942	5.6
295.06006	3.2
295.09222	2.2
297.11310	2.8
299.05618	5.3
305.04324	1.3
306.05356	1.7
307.05957	1.7
308.06937	2.5
309.04376	1.2
309.07355	5.2
320.06876	1.5
321.07581	2.4
322.08398	3.6
323.05524	8.7
323.09213	11.5
326.07953	1.5
335.09314	1.8
338.07870	10.3
339.08691	5.2
341.10379	8.0
353.10291	41.8
354.10635	2.5
371.11121	3.4
371.27075	1.2
387.10660	1.1
417.15460	1.9
427.13889	3.2
445.14816	2.1
485.12967	10.0
489.12769	2.1
517.29816	4.5
533.16010	1.3
559.14130	1.8
571.14532	2.5
585.15833	3.2
591.17151	45.0
591.26544	2.2
592.17224	4.6
603.17157	70.9
604.17529	8.4
621.18127	100.0
622.18530	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	623.1401
Annotation	Isorhamnetin 3-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03429	0.8
58.20360	0.4
59.01376	6.2
61.74496	0.4
61.98816	0.5
71.01376	4.5
72.99295	0.4
73.02940	1.2
75.00869	1.8
83.01388	0.9
85.02941	2.3
87.00870	1.4
89.02439	1.1
93.03455	2.1
95.01379	0.8
99.00879	0.6
101.02431	1.9
109.02917	0.6
113.02454	1.9
117.03458	1.4
119.05016	0.8
125.02361	0.5
128.09744	0.4
129.01997	0.5
132.02187	1.2
133.02956	19.8
134.03683	1.3
135.04524	26.0
136.04843	0.8
137.02432	1.2
139.03957	0.4
141.01878	0.4
145.02966	2.2
147.04501	0.6
148.01642	0.4
148.05360	0.4
149.02412	0.5
149.06079	1.9
159.04449	0.7
160.01611	0.7
161.02441	60.3
162.02776	1.6
163.00308	0.6
163.04010	0.5
165.04068	3.0
172.05283	0.4
173.04541	1.0
175.03999	1.5
177.01997	0.5
177.05583	4.7
179.03496	15.7
183.04530	0.5
190.99904	2.8
199.03935	0.9
200.04764	1.8
203.03525	1.9
210.03345	0.4
211.03995	1.0
212.04672	0.5
213.15033	0.4
215.03673	0.4
220.03883	0.9
221.04549	8.4
227.03438	2.8
228.04231	2.6
229.04570	0.5
233.04527	0.5
239.03522	1.3
240.04225	8.3
241.04601	0.8
244.03653	0.5
251.05557	0.9
255.02925	3.1
256.03693	1.9
263.05539	1.2
280.05789	0.9
281.06723	0.7
282.02084	0.4
283.02423	4.0
284.03238	87.4
285.03635	6.4
299.05582	70.7
299.99371	0.8
300.02701	14.9
300.05960	4.7
301.03192	1.0
307.08319	0.5
314.71524	0.4
315.05078	14.5
316.05359	0.9
323.07684	100.0
324.08041	5.8
346.45728	0.5
373.25839	0.8
375.27490	2.1
380.56555	0.4
402.67780	0.4
473.21588	0.4
503.32251	1.1
521.32727	0.4
578.32465	1.3
579.33594	3.0
623.14026	11.5
623.32568	5.9
624.14734	2.1
624.32269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.36839	0.6
61.98840	0.8
66.01352	0.6
68.99815	1.1
69.80746	2.5
75.11248	0.6
78.95907	0.7
82.31078	0.6
87.91102	0.7
98.20592	0.9
152.99571	0.7
181.78207	0.7
193.95692	0.6
202.39420	0.6
204.61787	0.7
255.23282	1.3
401.13940	1.6
415.15692	2.8
416.16351	13.7
417.16544	1.2
429.17035	1.3
430.18051	2.8
431.18735	1.7
434.17004	0.9
444.15707	1.5
445.16724	1.1
458.17242	0.9
459.18225	100.0
460.18573	11.7
473.19797	16.8
474.20554	5.7
485.16650	0.9
487.17276	1.1
501.19315	2.5
503.16965	3.5
517.19214	1.2
518.19531	47.8
519.20001	6.0
527.20898	0.8
532.21082	6.5
533.21881	91.8
534.22174	12.4
543.21387	0.7
587.23303	5.7
619.25549	89.7
620.25836	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	619.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99810	1.0
61.98821	6.0
78.95898	5.9
81.64460	1.1
86.28107	1.3
92.08633	1.1
98.20672	2.5
111.87953	1.2
152.99551	5.2
236.40707	1.6
255.23180	3.3
391.21927	1.6
401.14026	3.2
415.15683	3.2
416.16364	9.6
417.16232	1.5
428.26175	1.4
429.17474	2.2
430.17813	3.0
431.18594	2.3
459.18207	100.0
460.18658	13.8
473.19839	18.2
474.20566	7.2
485.15631	2.7
487.17743	1.4
501.19113	1.8
503.17145	2.3
518.19556	47.4
519.20129	6.6
532.21307	6.7
533.21887	90.5
534.22223	13.4
538.36395	1.4
587.23108	7.0
588.23126	1.7
619.25580	91.3
619.35107	3.6
620.25934	15.2
629.71869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13437	0.4
57.03461	0.4
58.27586	0.4
59.01366	2.1
60.71761	0.4
61.98827	100.0
71.01372	1.1
75.00877	1.1
78.95909	0.5
83.01402	0.4
83.77380	0.4
84.10102	0.4
85.02955	1.5
85.49195	0.4
87.00876	1.3
92.55537	0.4
113.02467	0.6
133.29427	0.4
146.26868	0.4
147.04514	1.1
148.05341	0.4
149.02455	0.4
152.33090	0.4
192.04277	0.6
227.03447	0.9
228.04286	0.7
240.04327	1.5
255.02927	0.6
283.02472	0.6
284.03232	17.2
285.03720	1.0
299.05594	18.7
300.06018	1.5
495.45224	0.5
495.52744	0.4
508.09299	0.5
619.38580	4.2
620.39050	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	620.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30200	0.4
52.78827	0.4
61.98827	100.0
64.87596	0.3
70.07890	1.0
70.08293	0.9
78.95904	3.0
106.56692	0.4
111.69116	0.4
152.19556	0.4
152.99596	1.7
174.90414	0.5
209.11925	0.5
255.23312	1.2
256.23666	1.0
259.62277	0.4
372.31644	0.5
538.62396	0.4
620.36511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95170	1.2
55.01868	3.9
55.44831	1.1
57.03447	8.0
59.01378	84.2
61.98831	1.8
68.99816	2.9
69.03438	1.5
69.90250	1.1
70.90961	3.0
71.01379	43.7
72.99304	4.5
73.02943	19.7
75.00872	21.1
79.05535	1.6
81.03461	1.3
83.01374	7.1
84.02170	1.7
85.02950	44.8
86.03302	4.4
87.00871	10.3
89.02438	31.3
91.05538	7.5
93.03468	3.9
95.01391	4.3
95.05011	2.7
99.00850	3.1
101.02441	21.7
103.05505	6.6
105.03448	8.3
108.02216	2.9
108.19267	1.2
113.02448	21.1
117.03456	3.7
117.11656	1.2
119.03523	9.5
119.05002	12.6
121.02954	11.3
123.04543	3.0
125.02456	4.6
129.01982	7.8
129.03442	3.5
130.04237	1.4
130.99835	1.3
131.03487	2.3
131.04999	2.3
133.02965	2.1
134.03731	3.4
135.04478	1.3
136.68472	1.3
137.02443	9.8
139.03969	2.3
139.66328	1.2
143.03481	4.3
145.02951	36.8
146.03738	16.7
147.03067	4.4
147.04515	80.5
148.05347	9.0
149.02451	13.7
149.04601	1.9
149.04799	2.2
149.06058	15.6
150.03223	4.2
151.00357	1.6
158.03677	1.9
161.02457	2.1
161.04593	9.6
163.04007	3.6
164.04781	24.8
165.04039	51.8
165.05476	5.3
173.01045	1.8
173.02351	7.7
173.04552	5.2
174.03180	8.0
175.03984	24.3
179.05582	5.6
179.07112	19.1
189.01900	3.5
190.02669	2.9
191.01930	8.7
191.03496	13.7
191.05359	3.2
192.04228	5.2
193.05067	5.0
205.03519	3.3
207.06593	6.2
209.03050	1.7
217.01396	38.7
218.02171	47.0
219.02960	8.1
227.03491	6.0
228.03770	1.9
234.27496	1.4
249.26907	1.5
255.02954	9.1
256.03378	3.6
271.02393	4.6
284.03244	13.0
285.03903	7.3
285.45197	1.4
286.04193	1.6
300.02866	6.1
371.11359	7.3
397.09250	100.0
398.09616	10.3
403.10101	2.5
415.10318	64.4
416.10617	4.9
429.20929	2.2
441.08185	14.5
442.08823	1.9
447.09494	1.4
459.09314	13.3
460.09900	1.7
517.26569	33.8
518.26971	3.0
535.27557	22.7
536.27667	2.0
539.29346	1.4
577.28461	10.1
621.14612	6.6
621.23486	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	621.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29905	1.5
53.78393	1.8
54.48751	1.5
59.01369	4.1
59.21427	1.5
62.29841	1.4
62.41053	1.5
69.47765	1.5
73.33434	1.8
87.00880	2.2
89.02425	1.7
93.03411	1.7
99.70695	1.5
109.02935	5.1
121.02962	8.5
123.00851	5.8
124.01631	2.9
125.02429	3.3
131.05028	4.7
137.02428	13.2
138.03224	13.0
139.04007	1.9
143.05063	2.3
145.02937	1.9
146.03696	4.1
147.04553	10.4
151.03970	1.7
152.04773	4.3
153.05528	7.0
158.03786	1.5
159.04515	100.0
160.05305	17.9
161.02408	5.0
161.06071	34.6
162.06494	1.6
163.04008	7.2
172.05304	2.7
173.02466	11.6
173.04642	2.5
173.06056	34.4
174.03058	2.1
175.03951	5.7
178.10645	1.6
184.03691	2.1
187.04004	8.2
188.04826	2.3
191.03494	3.0
199.03969	4.4
200.04860	1.8
203.03531	9.1
204.04175	2.6
205.05046	3.5
207.08258	1.7
217.01459	10.5
221.05936	2.9
223.07628	5.8
225.05421	1.9
228.04262	2.4
233.06174	2.9
234.05246	2.7
237.05656	1.8
239.07158	3.8
241.08508	1.6
249.05634	10.7
249.07771	3.3
250.06297	4.2
251.07094	23.7
252.07491	1.8
253.05040	3.9
254.05760	1.7
256.03708	4.2
256.07294	2.0
261.05612	1.9
262.06296	2.1
265.04919	2.6
266.05801	4.6
267.06488	4.7
269.08203	6.6
271.06186	9.9
277.05060	36.0
278.05692	6.4
279.06644	17.9
280.07126	4.0
281.04514	6.3
281.07944	2.8
282.05292	7.6
282.08301	1.9
283.06149	1.7
286.08435	3.5
293.04443	4.6
293.07825	1.8
294.05411	9.0
295.06119	17.0
296.06699	4.7
297.07675	48.8
297.11047	3.7
298.07904	4.6
299.09140	2.0
305.04483	16.1
306.05319	2.4
309.07553	4.2
310.08386	6.4
311.09177	8.6
312.10040	37.4
313.10507	4.6
321.04086	1.9
321.07684	2.1
322.04739	11.5
322.08322	3.6
323.05563	27.7
323.09232	2.7
324.05960	2.3
325.10779	11.2
327.12354	88.3
328.12686	6.6
337.07178	22.3
338.07922	30.9
339.08514	2.9
351.08661	8.8
353.10297	67.8
354.10696	6.0
371.11334	74.2
372.11627	7.8
397.09262	43.3
398.09601	3.6
413.12375	2.5
415.04916	2.9
415.10333	46.0
416.10605	4.9
423.07068	17.2
441.08182	15.9
442.08136	1.9
447.09213	2.0
459.09369	24.8
460.09836	2.0
621.14581	75.2
622.14734	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	613.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04350	0.8
54.51402	0.7
55.32987	0.7
56.63737	0.6
57.03440	2.4
59.01391	5.5
59.98517	1.1
61.98833	9.8
62.42946	0.8
69.03448	1.2
69.43811	1.4
69.44196	4.7
71.01391	4.1
72.99315	1.1
73.02946	2.0
75.00900	1.4
76.98128	0.7
81.03458	2.4
83.05025	4.6
85.02946	11.8
87.00862	4.3
88.98804	1.3
89.02447	0.8
90.79920	0.7
93.03460	13.9
96.95985	1.4
98.20576	1.7
99.04519	22.2
109.02934	1.0
110.00098	1.6
111.00869	1.7
111.04517	11.0
119.04982	0.8
125.02403	1.1
127.04061	1.7
129.01929	2.6
133.02887	1.1
134.03738	0.9
135.04555	0.8
135.08267	1.2
136.98875	0.8
137.02428	3.2
139.00345	1.6
145.02936	1.0
147.02966	1.3
147.04558	1.3
149.04578	1.3
149.06018	0.8
150.03223	0.8
151.00356	0.9
151.03922	0.8
155.03493	14.2
161.02454	3.7
162.02809	1.6
164.98351	0.9
165.05553	1.2
165.99118	3.7
173.04538	26.3
173.06071	1.3
179.03441	1.2
181.01436	1.1
181.05070	1.2
191.02007	4.8
191.03862	1.1
191.05553	6.8
191.71245	0.8
193.05112	1.4
197.11842	0.8
203.14359	8.6
205.03499	1.6
209.02937	5.2
221.15465	63.5
222.15804	2.9
226.02634	0.9
227.03389	1.3
232.13492	0.7
247.13377	1.8
255.02905	0.8
265.14441	52.2
266.14725	2.0
277.05206	0.8
284.03226	2.5
289.08475	0.8
299.05527	1.5
343.05838	0.9
372.06332	1.4
387.05167	2.7
388.05856	2.8
393.02139	1.2
416.05322	2.0
421.01971	2.3
421.18579	1.7
436.04285	1.0
439.19693	35.6
440.19876	2.5
550.23718	5.4
595.23608	1.3
598.07544	2.4
602.73279	0.8
613.10107	28.0
613.24976	100.0
614.10107	4.4
614.25372	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	615.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08356	0.9
57.03442	1.4
58.98700	0.9
59.01379	25.0
61.98826	3.2
67.01897	1.8
69.03454	1.6
69.23458	9.8
71.01378	14.0
72.99332	1.1
73.02942	13.1
75.00871	1.2
83.01389	7.0
85.02957	6.6
87.00873	11.3
89.02443	2.2
93.03452	11.9
96.96021	3.0
97.02956	1.2
98.20682	1.6
99.00893	6.6
100.01664	2.7
101.02441	10.6
109.02930	1.5
111.00887	10.9
111.04522	2.9
113.02457	3.2
113.99586	40.7
115.00393	15.7
123.04486	1.9
125.02451	1.6
127.03928	1.2
128.01137	3.3
129.01917	1.2
134.03693	2.1
137.02454	1.7
139.00369	4.5
145.02994	1.5
149.02423	1.6
149.06087	1.5
155.03470	1.6
156.00638	48.9
157.01337	4.4
161.04555	3.9
173.04527	19.0
173.06023	1.1
174.01682	100.0
175.02386	6.6
181.05052	1.6
191.01917	1.8
191.05574	12.9
193.05006	3.1
195.78145	1.0
221.06558	1.6
223.13326	1.3
227.03418	1.2
228.38777	0.9
255.02919	1.9
284.03250	3.2
285.03851	2.2
287.16473	6.0
289.14520	1.3
293.06931	1.1
335.05490	1.0
441.17630	5.3
442.18430	1.0
471.22324	2.7
509.24036	1.6
511.21817	12.5
539.11810	2.5
583.10797	2.4
615.13605	1.3
615.22778	17.5
616.23242	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	616.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20450	1.3
61.98826	2.7
71.01354	4.0
71.53289	2.0
75.00905	1.5
85.02938	2.6
87.00860	2.3
89.03957	4.1
93.03440	1.7
96.95999	5.8
99.00864	1.9
100.86987	1.4
115.00368	1.7
119.05004	3.3
120.87910	1.4
132.03029	2.0
137.14371	1.3
146.08203	6.7
160.01628	4.6
161.02434	100.0
162.02798	2.9
163.04019	1.9
173.04536	3.8
189.01913	58.7
190.02271	3.7
191.05574	1.9
197.50961	1.4
207.02921	4.2
233.00883	61.0
234.01302	2.0
265.07376	1.5
306.15805	1.4
327.08566	1.8
333.80563	1.6
350.14517	15.8
405.49045	1.3
435.68942	1.5
469.42068	1.6
588.12213	1.9
616.15912	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.18296	0.2
66.51376	0.2
69.03459	0.3
71.42285	0.3
78.95923	0.9
99.51215	0.2
152.99609	0.8
161.09723	0.3
179.10838	0.7
179.71114	0.2
197.11789	1.8
227.67435	0.2
232.32234	0.2
241.10841	0.3
255.23300	2.3
315.14764	0.2
380.12146	0.3
400.31061	0.2
553.37372	6.0
554.37872	0.9
617.35132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99992	0.4
59.01376	1.3
69.75300	0.4
69.75638	2.4
78.95903	100.0
81.03477	0.7
96.95998	1.0
96.96957	8.7
97.02938	1.0
109.06590	7.6
118.75833	0.4
121.06555	0.7
134.98531	1.2
135.08150	0.6
135.27274	0.5
137.14252	0.4
142.02718	0.7
150.97987	1.2
152.99586	63.6
153.99899	1.1
163.11261	3.7
171.00650	0.7
181.12396	2.2
183.13947	0.8
207.10251	12.2
208.10541	0.8
225.11311	12.9
226.11720	0.5
231.55646	0.5
255.23282	80.5
256.23639	4.6
279.23114	0.8
312.17697	0.5
361.10602	14.2
379.11572	2.3
381.13181	1.8
391.22540	25.7
392.22858	1.5
409.23572	14.6
410.23950	1.1
572.23157	0.5
617.34564	43.0
618.34949	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	617.4053
Annotation	Lansioside B
Peak:m/z	Relative Intensity
55.01864	1.4
57.03440	4.2
59.01363	2.3
61.77866	0.8
61.98811	1.8
62.74228	0.6
63.84330	0.5
70.76720	1.8
71.01369	3.7
72.99286	1.7
75.00871	25.6
75.23664	0.6
78.87961	0.6
78.95895	1.6
83.01381	1.8
84.02168	1.0
85.02947	22.7
87.00854	2.1
95.01382	3.2
96.95996	0.7
99.00893	1.4
109.79823	0.8
111.84123	0.6
112.01660	1.2
113.02454	9.0
116.77321	0.6
119.15697	0.6
152.99579	0.7
157.01468	1.1
175.02377	1.0
255.23187	1.0
544.72113	0.7
611.33435	0.7
617.40521	100.0
618.40900	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	618.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61263	0.5
67.08949	0.5
71.01376	1.1
71.04527	1.2
79.01402	0.5
85.02898	0.8
87.00862	0.7
91.05508	0.8
97.36599	0.5
101.03966	1.1
103.46747	0.5
117.03452	0.6
117.04665	0.5
119.05016	8.6
129.03456	12.7
130.04233	1.5
145.02933	1.5
146.03726	3.8
146.04718	0.5
146.08220	3.4
147.04507	100.0
148.04822	3.5
149.06116	0.6
160.06638	0.6
166.89291	0.5
183.22862	0.6
191.03482	32.6
192.03842	1.0
215.04266	0.6
218.15610	0.5
223.06163	0.7
235.02393	3.3
267.05066	21.9
268.05457	1.2
278.12497	0.9
350.14554	10.1
351.14944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57113	0.2
55.07896	0.2
61.98825	100.0
63.99246	0.7
71.16489	0.3
78.95895	2.7
113.98841	0.2
152.99562	1.8
168.72063	0.2
179.93073	0.2
198.58328	0.2
209.11902	0.5
213.27339	0.2
228.51880	0.2
254.11583	0.2
255.23288	1.8
256.23691	0.6
270.56073	0.2
363.12173	0.4
391.22870	0.6
409.23499	0.3
555.38147	0.3
618.35120	0.4
619.36108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.84381	1.6
57.03421	3.1
59.01381	21.1
60.99318	1.6
61.98829	10.1
67.01900	3.2
69.03474	2.8
71.01379	14.1
72.99298	2.0
73.02937	3.3
75.00872	10.7
81.03459	3.8
83.01406	2.0
85.02962	12.9
86.79076	2.0
87.00874	44.8
89.02457	5.7
92.41055	1.6
93.03455	22.3
96.96010	3.4
99.00912	2.5
99.33679	1.6
101.02420	3.2
109.02937	3.1
111.00861	2.5
111.04537	5.8
113.02461	5.2
116.92872	1.8
119.03575	1.9
119.04990	3.5
120.67992	1.7
121.02962	11.8
123.00861	2.0
123.04514	7.5
125.02440	6.3
129.01955	3.4
130.99846	7.2
131.05080	1.7
134.03720	2.6
135.03000	2.1
135.04536	3.9
137.02434	6.0
145.02968	5.6
146.03647	2.1
147.04471	6.0
149.04480	2.6
149.06041	5.0
150.62109	1.6
151.00305	2.3
153.05600	4.4
155.03482	3.5
159.04485	4.9
161.02400	7.1
163.04021	7.3
164.04749	2.4
165.04068	20.6
165.05457	2.7
169.06609	1.7
171.04562	2.3
173.02414	4.3
173.04541	35.1
173.06032	3.6
174.03194	5.5
174.04793	2.8
175.03926	3.3
178.02443	1.8
181.06589	1.9
183.04407	1.6
183.08171	2.0
185.06082	4.0
187.03986	3.9
188.04784	5.7
189.01900	2.3
189.05525	10.5
191.02034	3.1
191.03886	2.9
191.05582	16.2
193.05029	3.0
195.04533	1.9
196.05182	1.7
197.06038	5.0
201.05635	2.0
203.07184	5.6
205.03485	2.4
209.06053	8.5
211.03969	10.8
211.07672	5.7
212.04564	3.2
213.01889	2.0
213.05542	6.3
221.05975	2.2
224.04759	4.8
225.05534	3.7
226.02692	3.1
226.06352	8.1
227.03511	13.8
227.07176	5.1
229.05125	1.9
229.72675	1.9
235.07675	3.7
237.05582	22.7
238.06256	6.4
239.03494	10.3
239.07126	10.3
240.04294	10.3
241.05034	10.6
241.08687	6.5
242.05856	2.7
243.02930	4.3
250.06516	2.3
251.07097	4.1
253.05043	5.4
255.02959	15.8
255.06725	15.9
256.03622	2.4
257.04495	5.9
259.06186	4.1
263.03793	2.3
263.07108	13.3
264.04364	2.1
265.05032	32.5
265.08578	5.3
266.05774	9.9
267.03024	2.0
267.06711	11.6
268.03757	5.8
268.07352	2.9
269.04520	6.4
270.05399	6.0
271.05945	1.9
273.07776	1.8
279.06467	3.0
281.04678	2.3
281.08258	6.1
282.05194	3.8
283.06137	39.7
284.03275	20.9
284.06763	19.1
285.04227	8.9
285.07483	9.1
286.04678	2.6
291.06589	10.7
292.07336	3.3
295.06155	5.2
295.09665	2.4
299.05481	2.8
301.07111	3.5
302.08063	2.8
307.06042	5.2
309.07660	9.0
310.04898	1.8
310.08450	3.8
311.05365	3.0
312.05859	2.0
325.07138	5.0
326.07822	3.1
327.08676	3.3
337.10959	14.6
339.08765	2.4
341.10208	6.7
342.10892	2.8
355.11774	3.4
363.12445	9.3
379.11993	4.0
381.13373	20.1
389.13916	5.3
397.12903	4.2
399.14331	10.7
400.14868	2.6
407.15259	13.6
409.12961	3.9
423.14557	10.9
425.12103	5.0
427.10172	8.1
441.15448	7.9
443.13464	4.0
451.14630	8.3
453.11786	3.4
469.10422	3.2
469.15384	5.9
471.12836	9.1
477.11734	5.5
487.12433	100.0
488.12613	11.6
495.13336	8.7
497.11099	2.9
510.14752	2.8
513.13910	22.2
531.15070	48.6
532.14716	6.6
555.10809	4.2
557.12921	39.3
558.13416	3.1
575.13666	12.6
618.24261	3.4
619.24402	3.3
619.66589	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	619.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67167	0.5
57.03442	0.7
59.01374	4.7
59.11686	0.5
61.98840	1.0
62.92435	0.6
63.86565	0.5
68.99820	1.8
71.01378	3.1
73.02945	0.8
74.02462	0.7
75.00858	0.8
79.05536	1.0
81.03416	0.6
81.38446	0.7
85.02955	1.2
87.00883	2.0
89.02448	1.0
91.05530	4.4
93.03459	1.8
95.05029	1.6
96.96017	2.4
97.06594	3.9
98.19849	1.0
101.02418	1.4
103.05549	4.0
105.03458	6.6
107.05019	1.9
108.02184	0.9
112.05287	1.1
113.02399	1.3
118.44267	0.8
119.03574	0.7
119.05016	7.3
121.02061	0.8
121.02942	13.4
122.03745	1.3
123.04534	1.2
123.49246	0.6
124.27757	0.6
129.03461	1.8
130.47412	0.6
132.02214	0.5
133.02925	1.6
135.53450	0.5
137.02448	10.2
139.04022	3.2
145.02959	1.1
146.03740	1.2
147.04515	78.2
148.05304	10.4
149.06064	2.0
156.23520	0.6
161.02449	7.4
163.03967	1.2
164.04810	0.7
170.09259	0.5
173.04524	0.9
175.04025	1.2
176.04768	6.1
176.60771	0.6
179.03482	0.8
185.11792	0.6
191.03491	21.7
192.04259	12.1
193.04965	0.9
230.80524	0.6
245.11842	5.1
285.03986	6.0
289.10825	11.9
290.11484	0.7
333.09778	100.0
334.10098	6.7
352.40948	0.6
371.24301	4.2
471.25989	1.8
619.29218	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	619.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59851	0.7
55.33255	0.7
70.07543	2.7
78.95904	6.6
79.62556	0.7
87.00967	1.2
91.05535	1.9
93.03491	0.9
96.95995	4.9
96.96968	3.3
98.19966	1.1
101.03964	1.9
103.05557	0.9
105.03472	2.3
117.03457	3.2
119.05006	5.7
125.02448	2.4
126.29720	0.8
129.03462	6.0
130.04207	1.0
133.02924	2.5
134.04707	1.2
137.02394	1.1
145.02951	94.7
146.03735	58.2
147.04523	60.5
147.06244	1.2
148.04881	2.5
158.92509	2.3
161.02419	5.6
191.03465	17.3
192.03687	0.8
195.49124	0.8
196.65356	0.8
223.04625	0.9
235.02455	100.0
236.02794	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	611.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78582	0.8
57.03446	1.0
59.01376	16.9
61.98812	1.2
67.01875	3.4
69.03442	0.8
69.32846	4.1
69.33266	3.1
70.18980	0.8
71.01387	4.2
73.26340	0.9
81.03439	1.7
83.05024	2.6
85.02950	4.4
87.00868	4.7
89.02421	2.6
93.03452	23.4
96.96030	2.4
99.00891	1.2
100.32837	0.9
101.02431	1.1
107.05000	1.3
108.02172	1.1
109.02959	1.7
111.04506	9.9
113.02438	1.9
121.02883	1.2
123.04515	1.1
125.02390	2.4
127.03973	0.9
134.03714	20.1
135.04538	2.1
136.01656	48.3
137.02466	7.0
137.05989	0.9
138.03152	1.0
149.02470	1.9
149.04573	3.9
149.06064	14.8
150.03191	3.2
150.43358	0.9
151.00360	1.9
151.03992	67.4
152.04333	2.2
155.03464	10.2
157.43253	1.0
165.01912	27.2
165.04039	1.4
165.05544	2.1
165.06802	1.0
166.02707	10.3
173.04529	67.6
174.04860	2.6
179.03488	6.8
180.04263	16.4
181.05032	15.5
191.05595	24.5
193.01393	2.0
193.05038	4.0
194.05724	1.5
195.06602	20.9
196.06783	1.0
207.06667	0.9
209.03023	1.1
210.05275	3.3
211.04073	1.6
211.06046	11.0
220.05991	1.0
223.06073	1.3
225.07631	11.5
233.06596	6.1
251.03448	1.1
265.55487	1.1
271.05838	1.2
282.05374	1.7
285.07523	2.0
297.07596	1.5
299.05600	5.3
314.07758	4.6
317.06714	4.5
329.06827	1.8
329.10178	9.9
371.11136	2.6
374.10110	1.8
379.93481	1.0
389.12402	11.8
401.08572	1.7
419.13263	2.8
431.09802	1.2
437.14481	100.0
438.14780	6.2
438.45007	1.1
491.11798	2.0
611.20203	17.1
612.19928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.9
71.01377	1.7
71.53996	1.9
78.95902	41.3
79.95728	4.2
96.71487	1.1
96.96008	100.0
96.96961	57.5
97.93149	1.0
113.92618	3.0
114.93401	1.8
150.95981	1.0
152.25572	0.9
277.21707	2.3
351.06210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0982
Annotation	Crisamicin C
Peak:m/z	Relative Intensity
57.03442	0.7
59.01380	1.6
61.98812	0.5
65.00328	2.8
68.99797	0.5
69.63881	0.3
71.01378	0.8
72.99311	0.4
73.39694	0.3
74.63941	0.3
75.00909	0.3
82.00612	0.3
83.01379	0.6
85.02951	7.1
87.00888	0.9
89.02465	0.3
95.01366	0.5
96.99310	0.8
98.19840	0.6
110.00101	7.2
111.00903	3.3
117.03435	0.8
123.00891	0.4
124.01654	0.6
125.99581	0.5
129.01921	1.0
132.02161	0.6
133.02974	0.6
134.03627	0.4
136.98830	2.0
137.02414	0.9
137.99570	1.4
139.00381	4.8
140.01152	2.0
143.78426	0.3
146.03836	0.3
147.02982	0.9
151.00348	0.7
155.03554	0.6
161.02492	0.4
163.00375	0.4
163.03947	0.3
164.98273	3.8
165.99071	13.8
166.99780	1.6
171.04488	0.4
173.04552	0.4
178.99837	1.2
180.00603	0.4
181.01419	5.0
191.01984	3.7
191.05634	0.4
198.03194	0.9
199.03949	0.7
205.03552	0.4
209.00868	0.7
209.02730	0.4
211.03969	0.9
215.03526	1.6
225.01917	0.5
226.02695	1.0
227.03452	1.6
228.04051	0.3
235.04181	0.3
239.03523	0.4
241.01460	0.6
243.03084	0.3
251.03545	0.7
253.01453	0.5
255.02969	1.7
256.03476	0.4
265.01477	0.3
269.04486	4.3
270.04953	0.8
271.02478	0.6
271.07428	0.4
279.02982	0.5
283.02481	0.3
283.07654	0.4
284.03262	0.5
287.07126	0.8
288.07886	0.4
294.01782	0.4
295.02487	0.6
298.06235	0.6
299.07108	0.7
303.06650	0.6
309.04044	0.5
311.02072	1.4
312.02750	2.7
313.05273	0.3
314.05939	0.6
315.06531	1.3
316.07031	0.4
317.07892	0.5
319.02536	0.4
327.06430	1.3
331.06131	1.1
332.06638	0.7
337.03421	1.2
342.05365	0.9
343.06110	3.8
344.06708	1.8
345.07468	1.0
349.03601	0.5
355.05969	0.8
356.06726	0.6
358.04465	0.7
359.05600	3.3
360.05911	0.5
362.04324	0.3
364.02191	0.5
365.03143	1.2
371.05539	4.3
372.06320	6.1
373.07123	3.6
377.02933	0.6
385.07101	0.4
386.04205	1.2
387.05054	9.8
388.05817	12.1
389.06348	2.2
390.03854	0.6
393.02496	2.8
398.04367	1.0
399.04816	1.8
401.06604	0.5
402.07703	1.5
403.03265	0.4
403.08197	5.1
404.08716	0.4
407.04227	0.4
414.03741	0.4
415.04428	2.0
416.05313	5.0
417.06049	3.0
418.02777	0.6
419.03998	0.9
420.01212	0.5
421.01962	6.5
422.02820	1.6
430.06738	0.5
431.07706	3.2
436.04437	3.7
437.04990	1.2
442.03247	1.0
443.03970	1.2
448.00845	1.1
451.06824	0.6
457.05463	0.6
463.03360	0.4
477.04877	0.4
499.07101	0.6
581.06732	0.4
585.09875	0.6
598.07446	8.5
598.16919	0.6
599.08051	0.8
613.09821	100.0
614.10156	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	613.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.8
59.01376	6.3
61.98817	2.0
67.01895	0.7
71.01382	4.4
72.99296	1.1
73.02927	0.8
75.00868	6.2
76.99956	0.5
81.03448	1.7
82.11986	0.4
83.01390	1.2
83.05029	3.6
84.99320	0.6
85.02951	3.5
87.00879	5.1
89.02446	2.6
89.03960	0.8
93.03455	10.9
94.03764	1.2
94.22321	0.5
95.01372	0.6
99.00874	1.8
101.02458	2.2
103.00368	3.8
109.02951	1.1
110.00082	0.5
111.00838	0.6
111.04518	9.6
112.98095	0.5
112.98817	7.2
113.02480	1.0
117.03461	3.2
119.03474	0.5
119.04995	1.1
121.02927	1.3
123.04517	1.1
123.55534	0.4
124.04830	0.6
125.02451	0.7
127.02076	0.6
127.03991	0.9
129.01949	0.8
134.03741	31.7
135.03944	1.0
136.01651	1.0
137.02414	1.9
140.10323	0.5
145.01387	1.0
147.04460	1.2
149.02475	0.4
149.06064	3.7
150.03148	0.9
151.03964	1.7
155.03503	9.0
156.03860	0.5
160.01642	1.3
161.02394	0.6
161.04492	0.7
165.01884	0.7
165.05522	1.5
166.02580	0.6
167.03424	0.9
173.04553	4.7
174.04855	1.3
175.03833	2.6
177.01788	0.5
179.05438	0.6
181.01518	0.5
181.03139	0.6
181.04962	1.0
191.01910	0.7
191.05627	6.8
192.05937	1.8
193.05016	15.0
194.05380	0.8
195.06548	0.6
198.04633	0.9
199.04185	17.4
200.04443	0.7
209.02908	0.7
225.07501	0.5
249.06131	0.7
263.05771	0.8
264.65128	0.5
271.02573	4.3
271.05740	0.9
272.02805	0.7
283.06253	0.6
284.03195	0.9
288.02591	0.5
295.06033	0.7
299.05734	1.7
310.08258	0.6
317.06537	0.8
318.06952	0.7
319.06937	0.7
327.05222	3.6
333.06262	1.6
376.46616	0.4
393.09946	0.8
401.08966	0.7
419.10001	15.8
420.10172	0.8
474.80792	0.5
493.11533	0.8
521.11139	0.6
553.28131	2.5
613.15692	100.0
614.16064	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	611.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01381	22.2
61.98811	2.2
67.01878	3.7
67.80540	0.9
69.48466	5.6
69.48881	1.7
71.01373	4.6
73.02945	1.4
81.03461	1.5
83.05007	3.3
85.02950	4.7
87.00874	5.9
89.02461	1.3
93.03454	26.9
93.52755	1.0
96.96013	1.6
99.04557	1.1
104.73657	1.0
108.02142	2.8
109.02940	2.1
111.00822	1.9
111.04522	11.9
113.02451	1.5
119.05041	1.3
119.14730	0.9
121.02959	1.7
125.02429	2.4
127.04019	1.3
134.03741	21.1
134.96838	1.1
135.04451	3.1
136.01657	53.6
137.02391	4.8
138.03185	2.5
149.02415	3.6
149.04681	1.6
149.06058	16.3
150.03136	2.3
151.00372	2.2
151.04002	72.8
152.04367	1.7
155.03523	9.7
165.01920	26.8
165.05539	4.2
166.02710	10.8
173.04539	78.5
174.04836	1.4
179.03471	7.6
180.04298	17.0
181.05054	18.9
186.72662	1.0
191.05591	24.2
192.05984	1.2
193.05034	3.3
195.06606	27.6
210.05304	5.3
210.48271	1.1
211.04123	1.5
211.06053	14.7
223.06148	1.3
225.07607	9.3
233.06618	6.2
237.04008	1.9
242.25081	1.2
247.31413	1.2
267.02957	1.6
271.05963	2.1
285.07669	1.8
297.07773	1.3
299.05518	7.1
312.09985	1.5
314.07965	5.4
315.08789	1.4
317.06604	3.7
329.06833	1.8
329.10245	10.1
356.09375	1.3
371.11404	2.7
374.09839	1.4
377.12277	1.3
389.12473	12.7
419.13318	2.3
431.56839	1.2
437.14490	100.0
438.14853	10.8
491.11676	2.9
521.12659	1.2
611.20239	21.1
612.19800	1.9
639.95770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
59.01377	6.5
60.99295	0.6
61.53200	0.4
61.98829	3.3
66.18309	0.5
67.01894	5.7
67.22771	0.5
69.03458	1.7
71.01386	7.2
71.54948	0.6
72.99303	1.6
73.02966	1.1
75.00866	0.8
79.59805	0.6
80.44772	0.5
81.03458	1.9
83.01369	0.8
83.05033	3.2
85.02945	11.0
87.00877	3.4
88.31130	0.5
88.98817	3.6
89.02440	0.9
93.03458	40.8
95.01433	0.6
96.96008	2.0
96.97008	0.5
99.00890	0.6
99.04515	8.0
101.02479	0.8
109.02953	2.2
111.00888	2.0
111.04521	10.8
113.02463	2.3
119.05048	0.7
125.02407	1.3
127.04008	1.2
129.01958	2.5
130.99828	0.7
135.04561	0.5
136.07899	0.6
137.02449	7.1
143.03546	0.8
147.02972	1.8
149.02521	0.7
149.04538	0.8
149.05997	0.6
153.02078	0.5
155.03497	9.8
161.02393	0.7
161.04611	0.5
163.03859	0.7
165.01895	0.7
165.05586	1.3
173.04539	100.0
174.04880	2.6
191.01991	5.2
191.03886	0.8
191.05617	9.3
195.06615	0.6
203.14398	5.0
205.03505	1.9
209.02971	0.5
221.15456	23.4
222.15784	1.2
227.03496	1.2
247.13310	1.3
253.78046	0.5
255.02992	1.3
265.14423	22.1
266.14828	0.8
284.03308	1.6
299.05563	0.9
318.69559	0.6
325.07065	1.4
340.40997	0.5
369.05994	0.9
421.18671	1.4
439.19693	33.9
440.20270	2.6
585.07825	0.6
595.23566	1.5
613.24927	83.6
614.25348	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	610.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59197	0.4
59.01372	4.1
59.89680	0.4
61.98829	100.0
71.54447	0.6
73.02942	1.1
75.00874	0.6
85.02940	1.0
87.00881	1.3
88.01161	0.4
88.98804	1.9
89.02456	0.6
92.25986	0.4
93.03455	0.6
99.00921	0.4
101.02456	0.6
108.04523	0.4
113.02472	0.7
133.03119	0.6
134.03743	0.4
147.04544	0.5
149.04619	0.6
149.06071	0.5
156.00626	0.4
157.34929	0.4
165.04079	1.0
173.04486	1.2
187.43626	0.5
190.02586	0.5
190.99855	1.2
191.05606	0.6
199.03947	0.8
200.04756	1.3
211.04056	0.6
224.04871	0.5
227.03448	3.2
228.04216	1.7
239.03584	1.4
240.04228	5.2
253.05017	0.6
255.03012	3.0
256.03745	1.0
268.03735	2.2
269.04416	0.5
280.03802	0.7
281.04605	0.6
283.02484	8.1
283.06070	1.5
284.03238	60.9
285.03601	3.7
296.03226	0.5
297.04044	1.8
298.04803	12.1
299.05579	82.7
300.02805	0.6
300.05963	5.9
306.05322	1.2
321.07703	1.4
341.06635	25.6
342.06879	1.9
361.29581	0.5
365.06467	0.8
505.33826	1.5
506.34305	0.9
528.37531	0.5
550.29272	0.6
597.43463	0.5
609.31458	0.6
610.16254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83780	12.4
59.08034	11.6
60.75023	12.4
61.54160	10.3
61.98817	17.6
70.08933	21.1
70.09302	21.4
78.95901	46.9
96.96026	100.0
96.96960	60.0
98.20489	15.9
105.45164	11.7
148.09529	12.8
210.12489	14.8
271.13943	14.2
527.83740	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	611.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.3
59.01380	24.8
61.98824	4.0
67.01888	1.8
69.03458	1.3
69.72754	3.2
69.73165	2.2
71.01390	3.1
73.02932	1.3
75.00898	1.1
81.03474	1.1
83.01392	1.0
83.05027	1.8
85.02963	4.4
85.77152	1.0
87.00878	4.4
89.02424	1.2
93.03451	17.7
96.96016	1.6
107.01405	1.3
109.02951	1.8
111.04532	7.8
120.01315	1.3
121.02963	3.1
122.03735	4.6
123.00865	2.3
123.04474	1.9
125.02475	2.5
127.03973	1.4
129.01898	1.1
132.04512	1.1
134.03714	1.3
135.04517	4.3
137.02448	3.3
138.03197	1.2
139.00409	2.4
146.06075	2.3
147.04517	1.3
149.02446	11.9
149.06122	1.2
150.03220	28.0
151.00363	22.4
151.01588	1.3
151.04021	5.8
153.05644	1.1
155.03503	6.8
161.04732	1.1
164.04776	9.7
165.01913	1.2
165.04222	1.4
165.05556	39.4
166.02705	59.7
167.03365	1.1
173.04553	57.6
174.04808	1.1
179.03456	1.3
179.07115	9.1
180.04279	3.7
181.05060	89.0
182.05415	2.2
191.05617	19.2
191.07352	1.3
193.01445	3.8
193.05023	1.7
195.06606	16.8
204.06671	3.0
209.03087	1.1
223.06071	4.2
233.06654	7.1
237.06430	1.6
241.07164	1.6
271.14532	1.3
282.05341	1.8
285.07431	1.3
299.05597	1.1
317.06555	4.3
327.12503	0.9
329.06650	2.6
329.10526	2.3
329.15073	4.5
355.13071	1.3
373.14102	12.7
385.13962	1.4
389.12485	2.8
401.12646	2.1
419.13516	2.5
427.15033	1.2
431.13443	2.1
437.14508	100.0
438.14908	9.1
444.41644	1.1
449.14758	10.2
463.17209	15.3
464.17926	1.1
491.12189	5.4
521.18353	1.4
551.27075	1.4
611.20850	24.6
612.15234	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	611.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
57.56878	0.7
59.01374	10.2
60.99298	3.9
61.98809	2.3
65.04483	0.8
67.01885	7.4
69.03449	2.7
69.22167	0.8
69.38985	5.7
71.01381	6.8
73.02956	1.1
74.33607	0.8
75.00886	1.2
79.78509	0.7
81.03447	2.6
83.05014	1.7
85.02946	12.2
86.45937	0.6
87.00871	13.8
89.02441	1.5
90.77557	0.8
93.03455	58.0
94.03774	1.2
97.02947	0.8
98.19919	1.4
99.00874	2.0
99.04553	0.8
101.02458	1.8
107.84347	0.7
109.02951	2.5
110.00134	1.8
111.00879	1.4
111.04507	8.5
113.02433	1.2
117.03483	0.8
121.02953	9.0
123.00880	1.3
123.04539	1.6
123.57993	0.7
125.02438	1.6
125.09708	2.2
127.04069	1.8
129.01930	2.4
133.02957	1.0
134.03712	4.2
135.04507	11.5
137.02469	3.5
139.00336	2.2
146.06107	0.8
147.04535	0.8
149.02417	3.7
149.06056	1.0
150.03224	7.3
151.00346	6.0
151.03966	1.4
153.01933	1.5
155.03532	3.7
163.04050	1.0
164.04816	3.3
165.01901	2.5
165.04144	1.2
165.05553	9.9
165.99054	2.5
166.02719	12.7
166.99821	1.2
167.03384	0.7
168.00653	1.6
171.02992	1.0
173.04543	53.5
175.04022	1.0
179.03493	1.0
179.07132	1.6
180.04337	1.2
181.01465	4.2
181.05057	17.8
187.09766	0.9
191.05608	100.0
192.05914	2.2
193.01401	9.7
193.04997	1.1
194.99290	0.8
195.06641	2.9
198.04601	1.5
201.11346	2.1
209.04602	4.8
223.02519	2.3
223.06226	0.9
233.06625	12.4
255.02881	1.4
256.03769	1.0
271.14597	1.0
284.03241	5.1
299.05545	6.1
302.04288	7.4
317.06616	35.1
318.07034	2.1
329.06665	6.7
329.14999	1.5
359.07861	1.6
373.14014	4.0
377.38428	0.8
414.12164	0.9
418.10495	1.1
432.43222	0.9
437.14459	13.7
438.15240	1.2
463.17554	3.0
491.11847	9.8
495.92490	0.8
521.13409	2.6
551.27234	2.1
593.18982	1.3
611.19989	53.6
612.17242	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	609.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
56.38277	1.0
57.03454	5.7
59.01375	64.7
59.02691	0.9
60.01718	1.8
61.98826	8.4
63.75303	0.9
63.90546	1.0
66.37608	1.0
69.03429	2.1
71.01374	19.1
72.99303	2.8
73.02937	7.0
75.00854	4.7
78.55385	1.0
78.95865	1.6
81.03418	1.5
83.01375	3.5
85.02950	14.7
87.00852	5.2
88.98795	4.6
89.02425	3.8
93.03449	1.4
95.01360	3.1
96.96003	1.6
97.02915	2.1
97.06509	1.0
99.00849	4.5
101.02438	10.5
111.00853	2.0
112.01615	1.0
112.97711	1.0
113.02451	11.9
119.05019	1.9
121.02905	1.4
125.02423	4.1
127.11277	2.3
129.01927	2.6
134.03740	1.4
135.04527	1.2
137.02434	2.0
143.03464	2.7
145.02922	2.0
147.04486	4.2
149.04494	1.2
149.06053	4.1
159.02914	1.5
160.01736	2.2
161.04494	1.9
163.04059	1.3
165.03981	2.8
165.05452	1.2
173.04634	1.3
175.03918	3.6
187.13335	2.5
191.03409	1.6
191.05463	1.1
193.05003	3.4
201.14850	1.7
205.03430	5.2
209.11612	1.4
219.02937	2.8
255.02870	1.5
271.02316	1.5
271.05997	1.4
278.63315	1.1
283.05774	1.5
284.03119	2.9
285.03476	1.3
298.08041	1.3
299.05554	2.2
300.02518	2.3
315.04803	1.9
315.25430	1.8
359.27975	10.4
361.29590	8.8
457.31485	1.3
489.09671	1.3
505.33731	100.0
506.34009	11.3
523.34778	21.4
524.35272	1.8
565.35687	8.3
567.39471	1.3
609.27655	2.5
609.35364	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61110	0.2
55.01868	0.5
57.03451	3.4
59.01380	9.0
61.98824	1.2
65.19889	0.3
67.01874	0.4
68.99811	0.8
69.03439	0.7
69.43037	0.5
69.43442	1.5
71.01379	9.2
72.99301	3.4
73.02929	1.0
75.00871	9.3
75.01308	0.5
81.03454	1.1
83.01392	0.8
85.02946	10.8
85.06593	0.3
87.00866	4.4
88.98778	0.3
89.02450	2.0
93.03434	0.7
95.01381	2.9
97.02930	0.4
98.19929	0.6
99.00880	5.9
101.02435	1.2
103.00362	1.2
109.02889	0.3
111.00877	0.7
111.04491	0.3
113.02441	10.4
115.00369	1.1
117.01929	1.4
119.05020	0.5
122.03804	0.3
123.04524	0.4
125.02468	2.0
129.01923	1.6
130.99861	0.3
134.03743	0.5
137.02414	0.7
143.03493	0.5
145.02962	0.7
147.03503	0.3
147.04549	1.9
148.05275	0.9
149.06075	4.8
161.02365	0.4
161.04507	0.4
163.03972	0.5
165.04048	0.9
165.05400	0.3
175.02458	1.2
175.03969	0.7
183.13901	0.5
183.17603	0.4
189.04013	0.5
191.03545	0.3
191.05643	0.3
192.04283	0.4
193.05025	3.0
205.03526	2.4
205.07109	0.3
219.03020	2.3
221.19130	0.7
223.04486	0.5
227.16490	1.4
231.05025	1.0
249.06128	8.6
261.51147	0.3
267.07114	0.4
270.04871	0.3
271.22729	0.6
283.18982	0.4
284.03204	0.8
293.13879	0.4
295.22714	0.3
299.09244	0.3
300.02625	0.7
301.20294	1.5
311.26013	1.3
313.14417	0.4
313.23825	6.3
314.24133	0.7
315.05069	0.6
325.23886	0.5
341.26910	1.0
345.26364	1.2
359.28000	51.8
360.28323	3.7
465.44449	0.3
505.33704	2.4
523.35089	0.3
546.91498	0.3
565.22308	0.3
589.18481	0.3
591.20325	0.6
591.33789	1.0
609.34888	100.0
610.35236	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	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03445	7.9
59.01377	73.9
61.98821	2.1
64.21468	1.2
69.03420	1.7
69.21082	10.4
71.01372	14.9
72.99294	1.5
73.02935	5.0
75.00866	5.0
83.01375	5.4
85.02950	12.2
87.00868	3.2
88.98798	6.7
89.02438	3.5
91.46585	1.2
93.03436	1.3
95.01385	2.5
98.20695	2.7
99.00847	2.0
99.61794	1.2
101.02431	8.7
111.00858	2.2
113.02468	6.9
119.05040	1.4
125.02419	2.7
133.71339	1.2
143.03508	1.2
149.06116	1.3
157.12326	1.9
161.04515	1.6
165.04082	7.3
165.05368	1.6
166.02629	1.2
175.03900	1.3
181.05084	1.8
189.62723	1.2
189.99306	1.3
193.04948	1.8
229.18040	1.7
255.02870	1.3
284.03305	1.9
315.05154	2.1
315.25500	1.3
361.25601	1.8
361.29587	14.3
379.56866	1.3
505.33789	100.0
506.34003	10.0
523.34821	24.9
524.35052	3.3
565.35986	18.8
566.36359	2.7
609.16150	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	609.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03437	5.8
59.01378	98.8
61.98822	6.2
67.68604	1.0
69.03449	1.7
69.45562	1.0
71.01377	16.4
71.54387	1.9
72.99323	1.8
73.02939	5.1
75.00869	5.2
75.22194	0.8
83.01396	3.5
85.02944	13.0
87.00872	7.5
87.90070	1.0
88.98794	1.2
89.02448	3.7
95.01402	2.0
96.96011	0.9
97.02933	1.8
99.00876	2.4
101.02451	6.8
101.03006	1.1
103.61914	0.9
111.00914	2.3
113.02460	7.0
113.31139	1.1
121.54845	1.1
125.02457	3.7
125.07594	1.0
125.96434	1.0
129.01949	1.4
139.00357	1.3
143.03481	1.1
143.10776	3.5
149.04529	5.9
149.06026	2.7
153.47794	1.0
161.02359	1.4
165.04073	6.6
165.99101	1.2
166.04268	1.1
173.04535	1.5
175.04015	1.9
185.06137	0.9
191.05553	2.0
193.05042	2.0
196.18124	1.0
200.04727	1.2
229.08650	1.7
229.18069	3.3
255.03029	2.1
271.02490	2.7
284.03284	3.4
299.05515	4.4
299.22208	1.2
300.02618	6.8
301.20294	2.2
306.40747	1.1
315.05078	3.3
315.25247	2.3
343.28323	1.3
361.22278	3.4
361.26431	1.2
361.29630	11.3
364.45328	1.0
411.10526	4.6
501.10214	3.4
505.33804	100.0
506.34000	8.4
523.34882	28.2
524.35596	2.6
565.35870	13.1
566.36041	1.5
573.15985	8.6
574.16150	1.8
591.14691	1.7
609.14099	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	609.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96364	1.4
59.01363	5.8
61.98826	1.7
71.53807	1.4
89.35806	1.5
91.91817	1.3
99.41481	1.6
107.38047	1.5
116.92857	1.8
118.10571	1.3
121.10223	19.4
127.11266	1.9
149.84731	1.4
152.99533	1.7
171.10262	51.8
172.10608	2.0
207.09930	2.3
231.21164	4.6
270.20682	1.4
275.20132	65.9
276.20508	5.5
278.11319	8.3
293.21201	68.3
294.21567	3.4
297.18329	2.5
297.86435	1.8
300.02704	3.0
315.05072	3.1
315.19363	37.9
316.19528	2.7
359.18326	5.6
609.41321	100.0
610.41614	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	609.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23767	0.8
61.98821	1.6
67.83035	0.8
71.02154	1.8
120.57311	0.9
135.54062	0.9
230.79385	1.0
279.23270	100.0
280.23688	7.2
473.43884	1.0
507.09741	0.9
507.81314	0.9
529.70209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11084	0.4
59.01371	4.2
60.99281	0.6
61.98827	100.0
69.21004	4.8
73.02951	0.5
75.00874	0.9
77.13904	0.5
85.02961	1.3
87.00867	1.9
88.98809	1.5
89.02437	0.6
92.68562	0.4
93.03430	1.3
98.19846	1.0
98.35819	0.4
101.02451	0.7
113.02446	1.1
115.72144	0.5
133.02953	0.5
165.04060	1.3
173.04518	2.0
181.05020	0.4
190.99818	1.3
197.50380	0.4
199.04092	0.7
200.04752	0.6
211.03970	1.0
225.05409	0.5
227.03481	2.3
228.04221	1.8
239.03413	1.4
240.04207	4.6
255.02835	2.6
256.03586	1.3
268.03763	1.8
270.53448	0.5
280.03610	0.5
281.04630	1.1
283.02457	7.8
283.06039	1.8
284.03232	57.8
285.03641	4.2
297.04083	2.3
298.04776	10.9
298.07968	0.9
299.05579	74.5
300.02774	0.8
300.05908	4.3
301.03149	0.7
306.05270	1.8
309.04178	0.8
311.05804	0.6
321.07605	1.6
341.06650	23.8
342.06973	1.8
350.04019	0.7
365.06482	0.7
383.07922	0.7
505.33783	1.6
506.34210	1.1
523.33936	0.6
610.16101	1.6
611.15515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03445	1.0
58.48807	0.5
59.01377	12.9
61.98831	8.0
69.03462	1.3
71.01379	7.1
71.54374	0.8
72.99316	2.1
73.02950	2.2
75.00877	2.4
81.03469	1.6
83.01389	1.1
83.05033	0.9
85.02941	5.7
87.00869	4.2
88.98811	1.3
89.02444	2.2
91.05570	0.5
93.03469	1.8
95.01344	1.3
96.96016	0.8
97.02931	0.7
97.06622	0.5
99.00870	1.9
101.02429	3.1
105.07087	0.7
108.02171	2.3
109.02943	1.9
111.00853	1.2
113.02463	4.0
117.03459	1.2
119.05058	2.5
121.02973	1.6
121.06594	2.1
122.03737	1.6
122.74466	0.6
123.04518	1.6
125.02460	6.1
129.01952	1.4
130.04176	0.7
131.03513	0.5
131.05037	2.2
131.36426	0.5
133.02899	0.5
134.03740	2.2
137.02448	2.1
143.03481	1.4
145.02954	2.6
147.04509	10.3
148.05325	5.1
149.06076	100.0
150.06418	3.1
152.01132	1.5
155.03516	0.7
159.04564	0.6
160.01601	0.9
161.02461	1.0
161.04517	0.6
163.04021	1.4
163.07704	0.6
165.04030	1.5
165.12830	6.8
173.04521	1.5
175.04027	5.4
183.13905	7.7
191.03632	1.0
191.05515	0.7
192.04137	0.8
193.05049	66.2
194.05360	3.0
205.03502	5.4
207.13829	1.1
209.11832	1.5
214.06265	0.5
219.02979	42.5
220.03311	1.5
221.15384	1.0
223.04570	1.3
227.03427	0.8
227.12843	4.2
228.04095	0.6
233.11829	1.5
237.03996	1.3
249.06099	1.3
249.15016	1.0
251.12808	2.7
255.02966	1.4
256.03427	0.7
265.14505	1.4
269.13940	0.9
271.02496	0.8
275.13055	0.9
283.02432	1.4
284.03293	5.9
285.03616	4.9
286.03854	3.4
287.22253	1.5
293.13983	7.3
296.03287	0.7
299.02310	0.8
299.05579	5.6
300.02631	2.3
300.05908	5.1
301.06192	4.3
311.11295	0.7
313.03412	0.8
315.05096	1.6
355.10312	3.8
359.28046	1.2
371.17032	2.2
399.09201	0.9
431.26636	1.3
433.16980	0.8
435.25998	1.6
443.11435	0.8
455.04318	0.6
462.05780	1.7
462.55933	1.1
473.27383	2.2
491.28592	0.8
505.33698	3.3
565.23102	6.2
565.31348	0.8
565.35614	0.7
566.22961	0.6
591.20978	5.9
592.21649	0.9
609.21820	42.4
609.33105	3.2
610.22461	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	609.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37376	0.7
55.01873	1.2
57.03438	2.2
59.01377	62.8
60.01707	1.3
61.98826	4.4
67.01898	0.9
69.03455	2.1
69.76965	0.6
71.01006	1.1
71.01378	13.4
71.25357	0.7
71.54333	0.8
72.99297	4.0
73.02604	0.6
73.02930	3.9
75.00873	8.7
78.95895	0.8
79.73037	0.6
81.03455	3.4
83.01392	2.3
83.04983	0.7
85.02950	11.2
87.00869	7.6
88.98795	0.9
89.02419	4.1
93.03438	1.9
95.01395	3.6
96.95994	1.8
97.02962	0.8
97.06572	1.3
98.95573	0.6
99.00875	7.2
99.04527	0.7
101.02439	4.3
103.05526	0.6
108.02177	1.7
109.02952	2.4
111.00899	1.3
111.04558	0.8
111.08124	1.0
113.02444	9.4
115.00380	0.9
116.92847	1.8
117.01934	0.9
119.05015	2.3
121.02989	1.3
121.06602	1.8
122.03738	1.5
123.04488	1.9
125.02428	8.6
129.01939	2.0
130.04198	0.7
130.99838	0.6
131.03543	0.8
131.05038	2.2
134.03731	0.7
135.04533	0.9
137.02428	1.6
143.03430	2.3
145.02948	2.2
146.03772	0.8
147.04521	18.7
148.05325	6.0
149.06070	100.0
150.06429	2.8
160.01569	0.8
161.04550	1.5
163.04015	1.1
164.04837	0.8
165.04024	1.8
165.12868	5.5
173.04639	1.0
174.03262	0.9
175.02528	1.3
175.03984	14.4
183.13869	7.2
191.03499	1.4
191.05450	0.7
192.04308	0.8
193.05038	54.5
194.05417	2.2
205.03506	11.2
207.13878	1.3
209.11780	0.9
219.02965	41.0
220.03281	1.1
221.15520	0.9
223.04544	1.9
227.12917	3.8
233.11696	1.2
237.03995	1.5
249.06149	4.3
251.12872	2.1
255.02829	1.4
265.14444	0.9
271.02472	0.8
271.22751	0.8
275.12869	1.0
279.07117	0.7
283.02582	1.1
283.18961	1.0
284.03281	2.6
285.03806	1.2
293.13971	4.6
294.14346	0.7
299.05627	1.4
300.02710	2.7
300.05701	0.8
301.20239	1.7
313.23819	3.4
315.05164	2.1
341.26834	0.7
345.26578	4.2
355.10236	3.7
357.26279	0.7
359.27997	27.1
360.28564	1.2
371.17169	2.2
381.08347	1.3
399.09717	1.2
403.48508	0.7
489.34158	4.7
505.33975	2.8
507.35400	1.0
521.24310	1.4
549.36401	0.7
557.76245	1.5
565.22943	3.7
566.22992	0.8
591.20795	22.0
592.21069	2.6
608.33374	0.7
609.21985	46.8
609.34967	55.4
610.22321	5.1
610.35138	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14787	0.3
65.00320	1.1
70.81792	0.8
83.01402	0.7
86.55637	0.4
103.59727	0.3
107.01376	2.5
108.02198	1.3
109.02961	0.9
121.02959	1.3
132.66437	0.3
135.00899	1.0
148.01678	1.1
151.00362	9.2
152.00862	0.4
153.01926	0.4
163.00369	1.9
164.01115	0.9
178.99864	4.8
187.03969	0.5
190.99933	0.5
193.01314	0.4
211.03952	1.0
215.03491	0.7
216.04243	0.6
226.02692	1.6
227.03514	1.8
229.04936	0.5
230.23848	0.4
243.02980	9.0
244.03484	0.7
245.04561	0.8
254.02274	1.8
255.02963	22.4
256.03354	1.4
271.02466	50.1
272.02985	4.5
273.03912	0.7
283.02557	1.2
299.01932	1.0
300.02731	100.0
301.03424	27.1
302.03781	1.1
315.05115	0.5
343.04486	0.5
474.43771	0.4
609.14569	96.9
610.14856	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	609.1461
Annotation	Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
54.98489	0.3
57.08014	0.3
59.01380	2.1
61.98832	0.6
65.00318	1.7
69.15484	1.9
69.15919	1.3
71.01373	1.1
73.02948	0.3
81.40538	0.3
85.02959	1.3
87.00867	1.1
89.00353	0.6
89.02441	0.9
93.03460	3.8
96.96011	0.8
99.00896	0.5
103.39256	0.4
109.03004	0.5
113.02425	0.8
117.03468	1.0
136.98810	0.4
141.03497	0.3
143.05006	0.4
147.04550	0.5
149.06010	0.5
151.00397	0.4
155.05026	2.5
157.02948	7.6
159.04514	1.5
160.98802	3.9
161.02492	0.3
161.06119	0.4
162.03136	0.4
163.03961	0.5
164.98299	1.1
165.99065	0.9
171.04472	1.2
173.04663	0.5
173.06126	0.4
175.04005	0.4
176.37845	0.3
178.99873	0.6
181.01399	0.7
183.04501	3.4
187.03903	0.4
191.05585	0.8
193.05121	0.7
194.64024	0.4
199.03969	1.0
211.04007	0.8
215.03461	0.4
227.03470	15.6
228.03893	1.0
229.04974	0.6
239.03558	0.5
241.04980	0.8
253.05122	0.5
255.02971	14.1
256.03561	1.9
257.04486	1.0
266.19116	0.3
267.03061	0.4
269.04541	0.9
271.02374	1.2
281.04803	0.4
281.08157	0.4
283.02533	0.8
284.03204	1.0
285.04068	2.9
297.11276	0.4
298.04959	0.6
299.01938	86.2
300.02554	11.5
301.03464	10.5
302.03967	0.5
313.03491	8.0
314.04138	2.0
315.05145	3.3
429.08377	0.5
447.09180	0.9
549.25134	0.7
594.12238	1.8
609.14532	100.0
610.14868	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	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
57.85946	0.1
59.01382	1.9
65.00330	0.3
65.60452	0.1
67.54100	0.1
71.01377	1.6
83.01395	0.3
85.02950	1.0
87.00873	0.8
88.13998	0.2
89.02445	1.1
93.03477	0.2
95.01385	0.3
99.00879	0.3
101.02445	0.9
103.89706	0.1
109.02952	0.2
111.00850	0.2
113.02453	1.0
119.03469	0.2
121.03043	0.2
123.04539	0.4
147.04486	0.2
148.01660	1.8
149.02475	0.5
149.06021	0.4
149.99527	0.1
151.00356	0.3
159.04532	0.3
163.00356	1.0
163.03961	0.2
165.04095	0.3
171.04564	0.3
172.05289	0.8
173.04553	0.3
173.08133	0.3
183.04457	0.2
187.03993	0.2
189.99118	0.2
190.99869	2.1
191.05563	0.3
192.00551	0.4
198.03101	0.2
199.04008	1.4
200.04933	0.8
200.06487	0.2
203.03502	0.3
211.03993	0.6
215.03456	0.5
216.04248	1.5
219.03000	0.1
226.02716	0.5
227.03481	2.7
228.04204	0.6
239.03548	0.3
243.02975	1.3
244.03751	1.7
253.01340	0.3
254.02255	0.4
255.02919	2.4
255.05243	0.2
256.03738	4.9
257.04208	0.2
271.02466	2.8
271.05664	0.3
272.03015	0.3
282.01718	0.3
283.02390	0.5
293.08725	0.2
299.01941	4.4
300.02722	71.5
301.03104	4.3
314.04251	0.5
315.05075	100.0
316.05408	6.3
345.15744	0.2
357.06134	0.4
461.78860	0.2
609.14429	0.5
609.23865	4.8
610.24243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20527	1.0
55.01862	1.4
57.03440	3.5
59.01377	68.0
59.41166	1.0
69.47820	1.9
69.48206	6.7
70.32322	0.9
71.01025	1.2
71.01380	16.9
71.05021	0.9
73.02932	6.4
73.82078	0.9
75.00865	7.2
83.01385	4.7
85.02945	10.7
85.06555	1.5
87.00868	4.5
89.02435	1.9
93.07086	2.7
94.60085	0.9
95.01328	1.8
97.02934	1.3
98.19970	2.1
99.00854	2.6
101.02441	12.5
111.00853	1.7
113.02444	6.3
116.57169	1.2
125.02429	1.0
129.01926	1.2
143.03433	1.1
157.12323	1.6
161.04512	3.2
165.04036	20.3
227.16574	1.4
229.18063	9.7
284.03238	1.2
286.43234	1.0
299.05493	1.9
356.21210	1.1
359.27945	3.9
373.22186	6.5
391.23151	6.7
503.32248	100.0
504.32434	11.1
521.33301	26.5
522.33447	1.7
563.34198	9.0
575.13470	1.2
607.25269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98817	0.7
63.87903	0.4
65.00326	0.5
67.54279	0.4
69.03462	0.4
71.01381	1.6
72.99309	0.6
73.02930	0.8
83.01383	0.8
85.02955	1.3
87.00868	1.7
88.98821	0.4
89.02473	1.1
93.03439	0.8
95.01402	0.8
101.02460	1.2
101.79546	0.4
106.33762	0.4
107.01359	0.5
109.02950	0.9
113.02445	0.9
115.37903	0.4
123.00859	3.1
124.01656	7.2
125.02445	4.1
133.34818	0.4
134.03712	3.1
134.88017	0.4
137.02431	0.6
139.04002	0.4
145.02968	0.6
147.04515	0.5
148.01627	2.5
148.69044	0.4
149.02448	0.6
149.04594	0.6
149.06076	1.2
149.99574	10.2
150.03217	0.8
151.00319	1.2
160.01645	0.7
161.99579	0.4
163.00377	1.9
163.03993	0.5
165.04167	0.6
165.05597	1.1
166.99841	0.5
168.00630	21.8
169.01276	1.2
171.04410	0.5
172.05264	0.6
173.02332	0.6
173.04553	0.4
175.03973	1.1
190.99864	7.0
191.03491	0.7
191.05621	0.6
191.55519	0.4
192.00639	0.6
193.05031	2.1
195.06638	0.7
199.03986	1.9
200.04816	0.4
201.01932	0.4
203.03502	0.5
211.04045	0.4
215.03519	0.9
216.04195	0.6
226.02711	1.6
227.03423	2.9
228.04259	0.5
229.61917	0.4
239.03514	0.5
243.02861	3.5
244.03606	0.7
254.02232	1.7
255.02942	4.4
256.03720	3.6
271.02475	24.0
272.03009	2.3
282.01443	0.6
283.02390	1.0
284.03400	0.8
287.05789	0.5
293.08643	0.4
298.99246	0.2
299.01950	15.9
300.02734	63.1
301.03024	4.1
314.04269	2.3
315.05084	100.0
316.05478	5.8
318.43283	0.4
329.13824	0.6
391.19540	0.6
433.09900	0.6
461.24228	0.8
591.13159	0.4
609.14551	62.8
610.14813	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
62.77589	0.2
65.00308	0.3
71.01381	0.3
71.97879	0.2
73.32650	0.2
75.98381	0.2
76.85271	0.2
79.92072	0.2
84.77086	0.2
89.02399	0.3
107.01431	0.3
108.02169	0.6
120.36658	0.3
121.02910	0.3
135.00880	0.4
142.63565	0.2
145.02916	0.3
148.01646	2.0
149.02434	0.6
151.00362	1.4
155.05081	0.3
163.00314	1.1
164.01123	0.5
167.94365	0.3
169.01410	0.3
172.05260	0.7
174.45721	0.3
178.99789	1.0
183.04526	0.5
190.99878	1.9
192.00723	0.3
199.04004	1.6
200.04755	1.2
211.04013	0.9
215.03500	0.6
216.04311	1.7
226.02657	0.8
227.03473	3.1
228.04138	0.7
239.03426	0.3
243.02940	4.1
244.03719	1.9
254.02188	0.8
255.02948	10.4
256.03717	5.8
257.04184	0.4
271.02469	16.2
272.02960	1.4
282.01727	0.5
283.02429	0.8
284.03268	1.5
285.03992	0.9
299.01968	5.3
300.02731	99.3
301.03159	7.7
314.04306	0.3
315.05084	100.0
316.05411	7.2
357.06012	0.5
406.98831	0.3
442.18607	0.3
545.29102	0.3
609.14587	20.3
610.14758	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	607.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
59.01379	25.7
59.27839	0.9
60.50154	1.0
61.98836	1.9
63.70921	1.0
68.13054	0.9
68.99820	2.0
71.01376	10.8
71.12379	1.0
72.99300	2.2
73.02917	2.0
75.00863	2.6
79.05524	1.6
83.01389	1.3
85.02947	6.9
87.00877	6.7
89.02444	7.6
91.05546	6.8
93.03443	3.5
95.01440	1.5
95.05011	2.8
98.28302	1.1
99.00877	1.3
101.02434	7.7
103.05516	3.2
105.03453	8.0
108.02176	2.4
111.00848	1.6
113.02436	3.8
119.03528	2.8
119.05024	11.9
121.02979	10.0
122.03749	1.6
123.04561	1.3
125.02424	2.6
127.03236	1.0
129.01907	2.2
129.03442	2.6
130.99908	1.1
132.02173	3.7
133.02969	2.4
135.04524	1.5
137.02454	17.9
138.02850	1.2
139.03983	5.4
143.39778	0.9
145.02951	5.1
146.03732	3.0
147.04521	59.3
148.04305	1.0
148.05313	15.4
149.02437	1.0
149.04683	7.7
149.06073	12.0
150.03165	1.0
150.04868	1.7
160.01674	4.7
161.02444	14.1
161.04559	2.3
163.03967	4.2
164.04703	2.1
165.04068	1.8
173.04549	2.6
175.03987	44.0
176.04778	11.7
177.05565	1.1
191.03477	11.5
191.05321	2.1
191.07074	4.7
192.04256	17.7
193.05052	8.1
205.03497	2.9
207.06627	100.0
208.06900	4.0
209.03012	1.2
217.01392	4.3
218.02147	2.8
219.02908	3.3
223.04564	4.5
224.03210	2.5
235.02477	4.4
236.03207	7.7
247.17697	1.0
255.02972	1.5
261.73187	1.1
277.84488	1.0
284.03339	1.2
300.02582	1.6
309.07599	1.6
313.03503	2.0
313.06992	1.1
383.06747	2.6
383.11398	43.1
384.11749	3.9
409.09332	11.0
410.09726	2.0
485.12820	1.0
571.11768	1.2
589.14178	1.2
607.16638	86.6
608.16827	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	607.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78498	0.2
55.01876	2.7
57.03435	0.3
59.01377	12.3
69.14109	0.2
69.54789	1.1
71.01376	4.6
72.99303	1.2
73.02940	4.2
75.00869	36.8
76.01204	0.2
78.21861	0.2
80.34669	0.2
83.01382	1.0
85.02943	1.3
87.00873	3.0
89.02444	2.1
95.01385	0.2
95.13799	0.2
96.95995	1.1
99.00871	0.6
101.02438	4.3
103.00374	1.1
105.01926	2.6
113.02425	1.3
117.01941	0.7
119.03490	0.9
125.02476	0.3
129.01941	7.3
131.03484	0.4
143.03493	0.6
147.02974	3.1
149.04555	0.7
149.06087	0.8
150.06416	0.2
161.04527	1.3
165.04031	100.0
166.04376	2.3
175.04054	0.2
178.88698	0.2
193.04971	0.4
194.05396	0.2
221.06683	0.5
233.03008	0.7
284.03442	0.2
299.05560	0.3
415.23654	0.3
547.23907	0.3
568.71198	0.2
589.14423	0.3
607.15985	0.7
607.25854	7.0
608.26837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03429	0.6
59.01376	18.1
61.98821	0.5
69.50481	0.6
69.50890	0.5
71.01376	4.3
72.99309	1.4
73.02950	1.7
75.00866	32.7
83.01383	0.7
85.02945	4.0
87.00872	5.2
89.02438	2.2
91.63456	0.2
93.03448	0.4
95.01370	0.3
96.95998	0.2
99.00880	1.0
101.02429	2.8
103.00387	1.2
105.01932	4.2
113.02439	1.5
117.01944	1.0
117.03445	0.2
119.02708	0.2
119.03466	0.9
119.05038	0.4
123.04517	0.5
125.02440	0.4
129.00964	0.4
129.01935	7.6
130.99881	0.3
131.03502	0.4
133.02963	0.3
134.03737	0.2
137.02504	0.2
143.03465	0.3
144.39952	0.2
145.02986	0.8
147.02983	3.9
147.04352	0.3
149.04520	1.4
149.06035	0.6
154.73015	0.2
160.01648	0.4
161.02425	0.2
161.04529	1.0
163.04015	0.5
164.61374	0.2
165.04027	100.0
166.04353	2.0
167.04453	0.2
173.04486	0.5
175.03978	0.7
179.05592	0.3
191.01938	0.9
191.05598	0.4
193.05022	0.5
209.02966	0.6
213.44608	0.2
221.06566	0.3
227.03603	0.3
233.03035	0.7
239.03416	0.2
255.05156	0.3
283.02426	0.3
284.03165	0.4
298.04926	0.3
299.05545	0.3
313.07153	1.0
343.08209	0.6
351.10883	0.2
408.74396	0.2
415.23227	1.1
547.23737	0.2
589.14630	0.3
607.15857	1.1
607.25970	6.8
608.16925	0.3
608.25916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33236	1.1
55.01869	1.3
57.03454	2.4
58.00597	1.0
59.01378	22.6
61.98806	1.6
63.71220	1.2
68.99815	3.4
70.86656	1.0
71.01381	14.4
72.99306	2.5
73.02940	1.7
75.00845	1.8
79.05515	1.5
80.08977	1.0
81.03477	1.3
83.01395	1.9
83.79986	1.0
85.02958	7.3
87.00870	8.3
89.02450	11.7
91.05522	8.8
93.03472	4.2
95.01397	1.3
95.05007	5.1
99.00864	1.6
101.02460	7.3
103.05563	5.3
105.03462	7.6
106.03764	1.2
108.02185	1.9
109.02974	1.7
111.00870	1.4
111.04504	1.2
113.02450	4.2
119.03478	2.2
119.05016	10.9
121.02960	11.1
122.03750	2.7
125.02448	3.3
129.03477	3.0
132.02173	4.2
133.02966	2.6
134.03676	1.4
135.04547	2.1
137.02437	18.3
139.04034	5.9
140.04366	1.6
143.03563	1.4
145.02916	5.1
146.03778	3.5
147.04514	72.7
148.05310	17.4
149.04564	7.5
149.06046	12.4
150.03185	1.7
151.05060	1.3
160.01660	7.3
161.02419	13.8
162.03151	2.9
163.04022	4.6
164.04800	2.5
165.04086	1.9
173.02388	1.6
173.04526	2.8
174.03239	1.1
175.03983	47.5
176.04729	11.4
191.02005	1.4
191.03528	13.4
191.05421	2.3
191.07039	6.1
192.04283	20.4
193.05031	9.0
205.03513	3.4
207.03114	3.5
207.06612	100.0
208.06996	4.2
217.01382	5.0
218.02254	1.7
219.02908	2.2
223.04503	5.5
224.03320	1.7
227.03558	1.2
235.02446	3.8
236.03253	7.2
253.08733	1.4
254.30772	1.3
255.02913	2.7
270.01797	1.2
271.02322	1.4
281.04510	1.2
281.08118	1.2
283.02554	1.6
284.03378	2.7
296.06619	1.1
313.03561	3.4
313.07150	1.8
323.70105	1.1
347.79330	1.1
353.06482	1.7
383.11380	51.7
384.11664	5.3
409.09232	13.8
427.10016	1.4
501.44101	1.2
589.12732	1.3
607.16699	91.0
607.25238	3.1
608.17212	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	607.1665
Annotation	Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
50.25952	0.7
55.01870	1.9
57.03452	5.6
58.00592	2.7
59.01376	94.0
60.01741	0.7
61.98824	2.2
65.00337	1.5
69.03448	7.7
70.49229	0.9
70.49581	1.5
71.01379	84.8
72.99307	4.3
73.02940	12.3
75.00871	10.6
79.01892	0.9
79.46323	0.8
80.24764	0.7
81.03464	5.1
83.01385	6.1
83.05016	0.8
85.02943	12.4
87.00871	7.5
88.57319	0.6
89.02442	99.4
90.02773	1.1
93.03436	1.5
95.01388	3.0
97.02948	14.0
99.00878	21.0
99.04530	2.4
101.01793	1.4
101.02441	20.5
109.02966	1.0
111.00874	3.0
113.02445	13.3
115.04017	7.7
117.01900	1.0
119.03496	1.7
123.00915	0.8
123.04529	1.0
125.02441	53.6
126.02760	1.6
127.04033	1.2
129.01968	1.7
131.03491	13.5
132.02176	3.1
134.03711	0.8
136.98738	1.4
143.03467	4.2
143.05017	1.2
147.02928	0.9
149.04559	16.4
149.05772	1.3
155.04993	0.7
159.02959	0.7
160.01662	1.1
161.02361	1.1
161.04547	3.7
161.99559	2.3
163.00537	0.6
165.04051	19.9
165.05449	1.8
166.04390	1.3
171.04492	0.8
173.04526	2.5
175.03989	0.9
175.79849	0.6
183.04501	1.8
183.36301	0.7
189.99016	1.3
191.05605	11.8
192.46135	0.7
199.03969	2.8
205.01477	1.3
211.03975	4.6
215.05614	1.4
227.03493	12.9
228.03914	1.2
229.18204	0.8
233.06633	57.3
234.06902	1.6
239.03470	8.0
254.02145	0.8
255.02954	20.2
256.03268	1.5
263.40845	0.8
265.73395	0.8
269.04532	1.1
280.03702	2.7
282.01617	3.8
283.02457	91.4
284.02841	7.5
293.08765	45.2
293.11618	0.6
294.09039	2.7
297.03973	4.4
298.04807	69.9
299.02240	1.1
299.05182	5.8
309.47986	0.7
313.07150	100.0
314.07581	7.5
359.28024	1.2
373.25964	1.1
409.80463	0.9
433.27997	1.0
503.32263	28.0
521.33252	7.6
550.55609	0.9
563.33942	3.2
589.15430	1.4
607.15540	2.5
607.26294	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	606.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53872	0.5
57.90648	0.5
59.01361	0.5
61.98824	3.0
78.95900	100.0
81.26843	0.5
96.95976	1.6
96.96958	25.8
98.20629	1.6
98.80984	0.5
134.04726	12.8
138.98019	1.1
150.97964	3.4
163.79807	0.4
192.99043	1.4
211.00159	2.4
328.04434	2.5
346.05545	69.5
347.05984	3.3
356.55164	0.6
367.98297	0.5
606.26935	9.3
607.27350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1458
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
52.55133	0.1
57.03428	0.2
58.00577	0.1
59.01384	2.4
61.98813	0.1
65.00313	0.3
72.77398	0.1
72.85175	0.1
73.02917	0.3
83.01382	0.2
85.02924	0.6
87.00860	0.4
89.02467	0.2
93.03444	0.2
95.56560	0.1
97.06554	0.1
101.02436	0.6
108.71181	0.1
109.06664	0.1
110.00107	0.2
111.00999	0.1
113.02411	0.5
117.02648	0.2
117.03468	4.4
118.03775	0.1
119.05025	2.9
120.05317	0.1
125.02464	0.2
132.02165	0.3
133.02966	0.5
133.06523	0.2
134.03624	0.1
145.02953	13.1
146.03276	0.3
147.04453	0.2
149.04565	0.1
159.04543	0.2
160.01538	0.2
161.06038	0.3
163.00330	0.5
163.04015	1.6
164.01031	0.1
165.03996	0.1
172.05313	0.2
175.03967	0.4
176.04677	0.1
183.04494	0.4
183.13879	0.1
184.05270	0.4
187.03949	0.4
190.99858	2.3
195.04535	0.2
199.03976	0.5
200.04802	1.4
201.05168	0.1
205.05031	0.4
210.03148	0.1
211.03990	1.0
211.07677	0.1
212.04762	0.6
227.03470	2.2
228.04274	3.0
232.03700	0.2
235.64795	0.1
238.02652	0.2
239.03516	1.2
240.04276	6.9
241.04573	0.3
255.02954	2.3
256.03717	1.4
265.07147	0.4
266.02191	0.3
267.02951	0.3
283.02484	3.8
284.03250	85.8
285.03580	4.7
298.04794	0.5
299.05597	100.0
300.02438	0.3
300.05914	5.7
307.08221	8.8
308.08536	0.5
313.07135	0.5
343.08154	0.1
359.27960	0.4
503.32239	1.5
521.33093	0.5
563.34583	0.2
607.14575	1.3
607.33447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82926	0.8
57.03450	1.5
59.01379	90.6
60.01698	0.9
61.98819	2.5
63.25211	0.9
70.09612	2.2
70.09982	1.7
71.01377	11.7
72.99297	1.7
73.02943	5.1
75.00872	1.7
75.22601	1.0
78.95897	1.7
83.01395	2.1
85.02945	9.3
85.64787	0.8
87.00874	11.0
89.02428	2.8
93.03463	1.0
95.01403	1.9
96.96020	4.7
97.02941	1.2
98.20037	1.5
98.95564	1.7
99.00874	2.9
99.04488	1.9
101.02434	9.5
109.02850	0.8
111.00874	1.4
113.02439	6.0
122.03734	1.7
123.04545	1.0
125.02391	1.7
130.08760	1.2
130.99861	1.5
131.31860	0.9
147.04489	1.8
149.06088	0.9
161.04468	1.6
163.03938	0.9
165.04013	2.4
171.10258	1.8
173.04549	1.1
194.32925	0.8
202.22708	0.9
236.90657	0.9
269.08099	1.6
310.41760	1.0
339.25375	1.5
341.23206	1.5
350.09506	1.0
357.26422	12.0
383.24414	2.4
441.28482	1.5
471.68423	1.0
473.13367	1.2
501.30264	1.0
519.31830	1.8
561.32764	100.0
562.33087	9.8
605.34528	13.3
606.19128	1.0
628.41998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64571	1.2
57.03466	1.2
57.56869	1.1
58.25527	1.3
59.01372	6.6
61.98833	1.7
69.03428	1.2
69.56225	3.0
69.56632	5.4
71.01377	5.4
71.42895	1.1
73.02936	1.4
75.00880	1.3
85.02957	12.0
86.03269	1.3
87.00877	16.0
88.04043	2.0
89.02428	2.0
89.60995	1.2
90.07649	1.4
93.03501	2.1
96.56541	1.3
98.20626	2.9
101.02418	2.9
102.05604	9.4
109.02938	1.9
111.04592	1.4
115.00431	1.5
121.02923	1.7
123.00872	1.6
123.04532	2.8
125.02389	3.1
128.03528	30.2
128.56834	1.2
129.01915	3.3
130.99857	1.5
132.03064	1.9
135.04492	2.7
137.02406	2.0
138.03209	2.7
139.03983	1.4
146.03636	1.5
146.04622	18.4
147.02950	1.3
147.04483	3.8
149.02448	2.6
149.06041	5.1
150.03180	5.7
151.03752	1.8
159.04498	6.1
160.05261	1.3
161.02438	5.8
161.06128	3.1
162.03181	4.7
163.04019	4.3
164.04738	2.1
165.05548	12.8
166.05891	3.9
167.59377	1.2
172.02493	2.1
173.02457	1.4
173.04613	3.2
173.06013	2.6
174.03185	2.1
175.03932	3.3
175.83388	1.2
177.01891	3.2
187.03911	1.6
189.01945	1.7
189.05531	1.9
191.01991	3.5
191.05547	3.2
193.04990	2.2
195.06602	1.7
205.03471	2.4
209.03014	6.8
210.03314	1.8
223.04532	3.2
225.05519	5.5
237.04050	1.5
241.05084	1.7
250.07178	1.7
251.07440	1.9
253.05081	7.5
255.05125	3.2
269.04456	8.9
270.05215	2.4
271.06064	12.1
272.06476	1.4
279.06415	1.5
281.04416	2.3
282.08206	1.7
283.05893	2.8
284.06866	6.3
285.07626	3.9
286.08456	9.7
295.02423	1.4
296.06650	2.6
297.04129	2.5
297.07654	4.8
298.08319	3.1
299.09268	8.3
301.10770	9.9
311.09027	2.5
312.06421	3.1
312.09897	3.1
313.07214	2.6
325.07120	3.8
325.10645	2.0
326.07590	5.6
327.08636	7.6
327.12399	5.5
328.09192	1.9
329.10251	4.0
341.10275	1.8
343.11880	3.8
353.10260	4.9
355.08090	4.9
370.06308	3.0
371.11319	2.2
397.09253	3.8
399.07251	1.5
414.05286	1.9
433.11569	1.8
459.09442	2.5
463.27917	1.4
474.13962	2.4
502.13510	5.3
516.14862	3.6
544.14276	2.5
546.12665	8.8
562.13831	1.7
570.11841	6.2
588.13452	1.9
606.14587	100.0
607.14490	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	605.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59231	1.2
55.01860	3.5
57.03431	5.3
58.00563	1.2
59.01377	100.0
61.98814	3.6
65.00304	1.5
68.93923	1.2
69.03453	3.4
70.89558	2.8
71.01009	2.3
71.01381	38.2
72.99309	2.4
73.02935	11.4
75.00866	20.9
81.03452	1.6
83.01380	6.4
85.02955	25.6
87.00872	77.3
87.04488	1.2
89.02447	13.3
93.03448	5.2
95.01357	4.8
96.96007	2.8
97.06580	2.3
99.00850	4.0
99.04533	1.9
101.02440	20.1
108.02168	1.7
109.02913	2.6
111.00843	3.0
113.02442	21.3
119.03495	5.0
119.05025	1.7
121.02960	10.0
122.03716	2.8
123.00888	1.2
123.04521	4.9
124.01665	2.2
125.02449	3.6
129.01926	6.9
130.99864	22.4
134.03688	4.1
135.04521	8.0
137.02425	4.3
143.03452	2.2
145.12482	1.5
145.90022	1.2
146.03725	1.4
147.03000	2.3
147.04478	4.8
148.05260	1.5
149.04570	4.9
149.06023	7.7
151.00330	4.2
152.00655	1.6
160.01643	6.2
161.02518	2.4
161.04504	5.8
163.03984	5.3
164.04791	3.2
165.04041	53.5
165.05449	2.4
171.10306	1.5
173.04578	6.8
175.03972	5.7
176.40155	1.4
178.02684	1.5
179.03381	2.5
191.01938	2.1
191.03519	1.5
191.05551	2.5
191.07120	1.6
193.05052	9.6
199.07599	1.9
205.18369	1.4
209.02919	2.0
215.07091	1.6
219.02962	2.4
225.05527	2.8
225.14868	1.7
235.06042	5.0
243.06584	7.3
254.04343	6.4
255.05023	3.3
265.07123	2.2
280.46503	1.5
281.06659	3.9
284.03131	2.7
285.03705	1.7
295.08228	2.3
299.05612	2.4
313.07095	3.5
315.04910	1.4
316.05368	1.5
325.05594	2.2
341.19803	1.4
349.09186	2.1
357.26376	4.7
375.07178	11.9
376.03372	2.8
376.07968	48.4
377.08450	3.4
383.11322	3.9
408.06873	20.1
460.66238	1.5
465.28519	1.8
483.29407	4.5
501.30676	95.1
502.30914	10.4
508.08649	7.0
519.31750	21.6
520.31940	2.7
561.32684	7.4
569.12927	2.2
587.13983	4.2
605.15607	17.2
605.24536	8.6
605.33661	7.3
606.15515	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	605.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99903	0.3
61.98839	0.5
72.60884	0.3
77.82137	0.3
78.73869	0.3
78.95893	0.4
115.00470	0.3
121.03033	0.4
130.46510	0.3
191.64722	0.3
229.52858	0.4
244.28604	0.3
247.95308	0.4
350.99731	0.4
384.96149	0.4
394.11926	0.3
401.17850	0.5
415.15179	0.4
416.16840	0.4
429.17139	0.8
430.18063	1.2
443.18634	1.2
443.65009	0.4
444.19186	0.5
453.17380	0.5
456.15970	0.5
457.20776	2.0
458.21313	0.4
459.17892	3.0
460.18320	0.5
461.23730	0.5
471.18234	1.4
472.18570	0.9
473.19714	4.5
474.20135	0.6
475.21460	0.6
485.19339	1.8
485.23972	1.4
486.20752	3.5
487.21448	0.8
496.19064	0.9
499.17819	1.9
500.18210	0.5
501.23856	2.8
502.19586	0.6
511.21506	2.7
513.19348	3.0
514.06750	0.4
514.20062	8.7
515.20270	1.4
517.19055	0.8
518.19696	1.4
527.20776	0.4
528.21869	0.4
529.22424	100.0
530.22778	13.0
532.21051	1.7
533.21704	1.8
545.65704	0.3
546.22937	0.4
561.24988	1.2
573.21826	1.7
605.24255	1.5
605.38611	0.4
606.24689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
59.01374	10.8
62.66853	0.3
69.03417	0.3
70.28569	0.5
71.01375	3.6
72.44560	0.2
72.99298	1.3
73.02941	3.2
75.00865	41.6
76.01184	0.3
83.01385	0.9
85.02968	1.3
87.00333	0.5
87.00869	9.8
89.02428	1.9
93.03459	0.3
99.00867	0.3
101.02441	3.7
103.00363	0.8
105.01912	0.4
113.02439	1.1
117.01908	0.7
119.03508	0.4
121.02986	1.2
122.03731	0.4
123.04531	1.7
129.01926	7.5
130.99861	2.5
131.03453	0.4
135.03055	0.3
137.02423	0.8
141.69991	0.3
145.02945	0.4
147.02979	3.0
147.04446	0.4
149.04527	1.9
149.06078	1.0
161.04555	1.0
163.03987	0.6
164.04779	0.4
165.04027	100.0
166.04362	2.3
173.04573	0.4
175.04041	0.3
191.03456	0.7
193.05069	1.1
198.22542	0.3
202.06380	0.3
203.10725	0.6
217.01157	0.3
217.08717	0.5
219.02853	0.6
221.06610	0.5
227.07152	0.3
233.02936	0.5
243.06573	0.4
254.04297	1.0
255.05074	1.3
349.09082	1.5
350.09857	0.3
375.06998	0.6
376.08026	1.9
408.06705	0.4
470.31659	0.3
545.12750	0.3
569.12994	0.9
587.14056	1.0
605.15033	5.5
605.24512	5.8
606.15411	0.7
606.24744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60298	1.4
55.01873	3.5
56.62247	1.3
57.03437	4.9
58.00572	2.1
59.01376	99.1
61.98821	3.6
68.98389	1.3
69.03447	1.8
71.01382	25.2
71.54044	2.8
71.54391	1.6
73.02946	8.3
75.00873	15.4
80.40804	1.5
82.79335	1.4
83.01382	8.9
83.05029	1.5
85.02941	18.2
87.00874	76.4
88.01176	1.9
89.02444	3.2
93.03458	5.6
93.07088	4.1
95.01373	3.1
96.96028	1.8
97.02924	2.1
99.00883	4.4
101.02446	18.4
108.02095	1.4
109.02937	1.9
109.06580	1.9
111.00909	2.2
113.02457	12.3
119.05016	2.2
121.02950	10.7
122.03695	2.8
123.04506	8.5
124.01678	2.1
125.02457	3.6
129.01927	2.9
130.99858	23.7
134.03683	2.7
135.04549	2.5
137.02428	4.2
143.03426	1.7
145.02890	2.7
147.04488	6.0
148.05281	2.1
149.04607	1.5
149.06079	5.3
159.02943	2.6
160.01628	2.0
161.02417	1.8
161.04530	6.0
163.03912	1.6
164.04836	2.5
165.04044	39.6
165.05466	4.4
171.10278	1.7
173.04526	4.2
175.03949	4.1
191.03531	2.5
191.05550	3.1
192.04413	2.0
193.05048	5.9
209.15492	9.8
213.33928	1.4
227.03474	2.4
227.16533	2.7
243.06505	2.1
254.04187	7.7
255.05075	3.5
268.06964	1.7
269.07803	1.7
281.06613	3.5
284.03204	4.2
296.03467	2.0
297.03915	3.2
298.04871	6.8
299.05557	3.5
309.03885	3.0
313.07104	4.0
349.09314	3.0
353.19528	6.3
357.26245	4.0
367.08322	1.8
371.20728	7.1
375.07159	4.5
376.07925	37.0
377.08151	3.8
383.11227	19.8
389.21677	6.4
408.07050	11.2
429.24915	2.6
451.68121	1.5
452.10333	1.7
465.28564	3.1
483.29388	2.6
501.30643	100.0
502.31281	11.7
508.08478	4.0
519.24518	1.3
519.31683	31.8
520.32031	2.0
530.14233	2.7
543.14832	2.8
545.16809	1.7
561.32587	5.3
569.12323	6.2
587.13702	6.2
588.13354	1.5
605.14990	18.9
605.24298	4.2
605.32904	3.2
606.15479	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.19254	0.6
57.03428	1.9
59.01376	17.1
61.98830	3.3
66.21929	0.7
68.99820	0.7
69.03461	0.8
71.01375	6.8
71.07656	0.5
71.54306	0.5
72.99307	0.7
73.02935	2.4
75.00861	1.8
78.95901	1.2
79.48776	0.5
83.01373	1.9
83.05011	0.8
85.02952	4.4
87.00865	10.0
89.02438	1.2
93.03435	1.0
93.07090	2.2
95.01373	0.8
96.95991	2.5
97.06578	1.1
97.16329	0.6
99.00861	1.4
101.02448	3.7
113.02441	3.2
114.37683	0.6
121.02934	1.5
122.03751	0.7
125.02428	1.6
130.08699	0.7
130.99858	1.8
134.03789	1.0
135.04495	0.8
137.02316	0.7
140.72223	0.8
147.04523	1.6
155.03496	0.7
161.04567	1.4
163.04031	1.0
165.04007	1.0
165.05435	0.7
170.27792	0.5
171.10294	1.0
173.04536	1.1
175.03966	1.2
191.05606	0.9
193.05002	1.0
209.11607	1.1
210.97147	0.7
225.14890	0.7
227.16513	7.9
297.24191	1.0
319.67896	0.6
327.25424	9.5
328.25629	1.1
339.25323	6.0
357.26428	100.0
358.26752	8.6
383.24503	3.3
399.27502	1.7
436.07858	0.6
485.30927	0.7
491.89990	0.6
519.31354	0.6
561.32727	7.5
562.33374	0.9
563.31000	1.2
603.76282	0.6
605.34308	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	605.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
57.03440	1.4
59.01376	25.5
60.99306	1.0
61.98808	2.8
67.01873	1.3
69.03449	2.6
71.01382	10.0
71.32738	1.4
72.99287	2.2
73.02966	4.5
75.00872	43.7
78.14603	0.9
83.01380	1.9
85.02959	6.7
87.00874	81.3
88.01230	1.3
89.02438	8.8
92.11520	1.0
93.03451	9.4
94.03802	1.0
95.01329	1.2
95.05009	1.6
96.96000	1.3
97.02941	1.2
99.00860	2.9
101.02444	4.0
103.00362	1.2
109.02943	1.8
111.00845	1.0
111.04491	2.9
113.02430	4.0
117.01936	1.2
117.03454	1.1
119.03510	1.0
119.04995	3.8
121.02968	5.7
122.03692	1.9
123.04516	24.7
129.01929	8.8
130.99860	16.0
131.03491	2.1
131.05046	1.5
133.02945	2.1
135.04503	2.2
137.02429	5.2
137.06036	3.9
145.02962	2.9
146.03676	1.9
147.02959	2.9
147.04532	6.9
148.05229	1.5
149.02443	3.2
149.04524	20.2
149.06042	19.3
150.03186	1.4
150.06500	1.0
151.00415	1.5
153.09055	1.0
155.03487	3.1
155.51556	1.0
159.04538	6.0
161.02396	4.4
161.04453	1.6
161.06052	2.2
163.03966	7.3
163.07622	1.1
164.04790	6.8
165.04045	100.0
165.05463	9.1
166.04330	2.6
169.79823	1.2
173.04547	20.3
173.05981	3.0
174.03291	1.8
174.04837	2.4
175.03954	3.9
175.07574	2.2
185.00938	1.5
187.03964	1.9
187.07607	1.7
188.04736	4.4
189.05573	2.8
189.09106	1.1
190.02727	1.6
191.03470	3.6
191.05553	9.1
191.07086	1.9
192.05922	1.4
193.05035	11.3
195.02910	3.4
199.07600	1.4
201.05495	1.6
202.06291	1.1
203.07048	1.0
205.04909	2.3
207.03238	0.9
210.06819	1.6
211.07640	9.0
212.07964	1.5
215.07021	1.9
217.01491	1.0
217.08719	5.9
219.02959	5.3
219.06529	1.3
225.09334	1.4
226.06282	1.5
227.03459	3.4
227.07176	1.5
228.03836	2.0
229.05217	1.1
233.08255	1.1
237.04036	2.7
241.08708	1.4
243.06555	2.4
243.10345	1.6
245.08232	1.7
252.02802	6.8
253.03491	1.4
254.04259	5.6
255.02847	5.6
255.05069	22.9
256.03296	1.5
265.08698	3.5
266.09030	1.2
271.06281	1.7
283.02438	1.4
284.03268	8.7
285.03824	6.3
286.04190	1.2
287.09058	1.4
295.05963	1.1
296.07007	1.0
297.06241	1.7
309.11038	1.2
317.11502	1.1
325.29175	1.0
331.08337	1.1
349.09207	15.9
350.09879	1.4
367.10715	1.2
375.07150	3.0
376.07901	7.8
408.06821	3.5
429.21176	1.5
431.17136	1.7
431.22583	1.4
443.13220	1.6
455.13324	1.2
517.64063	1.9
543.15106	2.2
545.12726	6.4
561.17017	1.3
567.23712	1.7
569.12781	6.8
587.13879	13.4
588.14185	1.8
605.14990	58.4
605.24237	12.7
606.15240	5.8
606.24127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	18.3
61.98840	0.9
65.70384	0.7
69.85473	3.8
71.73385	0.8
78.95880	1.1
87.00887	2.9
88.00386	7.9
88.98802	100.0
89.02443	42.4
98.20615	1.0
101.12108	1.0
307.42505	1.0
515.46124	0.9
556.17108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
60.99302	16.5
61.98811	2.7
71.01374	2.9
78.95877	1.8
85.02943	1.8
87.00881	2.6
88.00394	5.7
88.98800	100.0
89.01873	1.4
89.02434	29.2
96.95983	1.3
113.02427	3.3
165.02121	1.1
337.41458	1.3
399.85672	1.2
418.33841	1.3
438.92972	1.4
489.75165	1.3
516.75934	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	603.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.9
61.98828	6.2
71.53790	4.8
73.92449	3.6
76.01252	3.2
80.02658	5.7
82.39874	4.0
83.05028	7.9
84.02178	6.3
91.74603	3.3
92.34666	3.9
113.02446	4.8
121.10200	7.9
125.09747	3.5
137.09735	17.1
140.19890	3.6
144.90547	3.9
155.10745	22.6
171.10274	30.6
193.12242	8.1
201.55318	3.2
211.13385	4.2
275.20200	23.1
291.19702	27.3
293.21265	36.3
298.91702	3.5
309.20694	100.0
310.20837	9.6
512.32727	5.0
553.18457	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	604.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91128	0.2
57.03456	0.4
59.01376	13.1
61.49499	0.2
61.98827	100.0
65.31620	0.2
71.01379	11.6
71.48444	0.2
71.54904	0.3
72.01736	0.2
72.99336	0.2
73.02943	0.6
75.00907	0.2
78.95921	0.2
83.01394	0.6
85.02943	1.0
87.00872	2.6
87.04529	0.4
89.02454	0.5
89.06085	0.6
95.01421	0.2
96.96021	0.3
99.00877	0.2
101.02466	0.7
113.02467	0.7
121.02939	1.5
123.04510	0.2
125.02466	0.4
130.99864	0.7
134.03760	0.2
144.94759	0.2
147.04532	0.5
148.05310	0.2
151.51553	0.2
159.04541	0.2
165.01959	0.3
165.05644	0.2
173.04579	0.3
191.03586	0.2
193.05193	0.2
200.04790	0.2
215.06876	0.2
219.06731	0.3
221.08168	0.3
233.10313	0.6
237.07664	0.5
253.03760	0.2
254.04347	0.4
255.05144	0.2
284.03131	0.2
291.08716	1.8
306.78323	0.2
363.10696	0.2
381.11841	5.6
381.16397	0.3
382.12595	0.2
423.12921	2.4
423.17245	0.2
472.13483	0.2
603.35651	0.3
604.21967	0.3
604.34186	0.3
604.73120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.85386	1.2
57.03444	2.2
59.01109	2.1
59.01377	25.9
61.98829	2.3
64.32021	1.1
67.01877	1.4
69.03456	42.5
69.36406	6.4
69.36829	3.2
71.01380	9.6
71.48330	1.1
72.99316	2.4
73.02942	5.3
75.00860	6.3
78.95892	2.5
79.01874	2.0
83.01367	1.9
85.02945	8.5
87.00873	100.0
88.01165	1.4
88.75227	1.5
89.02442	8.3
93.03459	10.7
94.03831	1.4
95.01392	2.4
96.96020	21.3
96.96957	6.0
97.02943	9.4
99.00872	13.0
99.04530	2.3
101.02464	7.6
101.03009	1.3
105.01923	2.5
108.02178	1.7
111.04535	1.7
113.02437	3.8
115.00379	1.5
117.03448	1.6
119.05022	14.8
120.05357	2.1
121.02950	7.8
122.03732	1.6
123.04524	29.8
124.01594	1.2
125.02443	4.2
128.17949	1.2
129.01923	2.6
130.99858	18.5
131.03502	2.6
131.05081	1.2
134.03781	1.3
135.04550	1.8
137.02411	3.8
141.01917	3.4
143.03517	1.4
145.02966	7.0
146.03668	1.7
147.04552	8.0
148.05281	1.3
149.02443	3.6
149.04530	22.9
149.06044	17.4
150.03210	2.7
151.04008	1.4
155.03490	1.7
159.04532	5.7
161.02454	1.7
161.04480	2.2
161.06027	1.7
163.04015	18.6
164.01059	1.4
164.04784	21.2
165.02744	2.1
165.04013	26.0
165.05507	10.5
173.04532	14.7
173.06042	3.7
175.03947	3.3
175.07727	2.6
179.03522	1.6
185.00911	30.0
187.02434	3.5
187.03963	2.2
188.04778	6.4
189.05634	1.8
191.03563	1.7
191.05556	6.4
191.07079	1.8
191.10635	1.5
193.05042	10.4
195.02997	6.8
199.07599	2.5
201.05499	2.9
202.06314	1.9
203.07130	1.9
208.03709	5.1
211.07547	3.3
212.08003	1.7
215.07152	1.7
215.10829	1.6
217.08612	8.6
219.02966	4.8
219.06670	1.2
219.10271	2.6
223.07690	2.6
224.08015	1.5
227.03438	4.7
227.06876	1.8
228.04012	2.0
237.04001	3.7
238.55327	1.3
243.06512	2.1
243.10197	3.4
245.08150	3.2
252.02748	19.2
253.03412	3.7
254.04274	5.2
255.02866	7.6
255.05078	28.7
256.03430	3.9
257.04477	1.3
261.11249	2.1
265.08841	2.3
269.04486	1.6
281.06726	2.1
284.03198	13.2
285.03842	7.2
290.13547	1.3
299.05615	2.4
307.82513	1.4
313.07043	1.7
349.09259	20.3
350.09595	2.0
375.07092	4.0
376.07953	25.4
377.08472	1.3
408.06821	5.0
429.21066	1.7
431.17538	2.0
435.61453	1.7
443.12909	2.2
461.10718	3.0
495.63745	1.8
509.08664	1.2
517.63458	5.0
543.14752	2.1
545.12628	6.2
569.12878	6.3
587.14056	14.7
587.23938	2.4
588.14478	1.4
605.14923	54.9
605.24219	10.8
606.15033	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	602.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55124	0.2
61.98828	100.0
69.88480	1.2
76.32967	0.2
82.48508	0.2
85.99011	0.2
103.23763	0.2
283.69058	0.2
313.44223	0.3
333.64407	0.2
362.63934	0.2
545.91516	0.2
598.88184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
61.98815	1.3
70.91236	1.0
70.91560	1.3
71.01382	2.0
75.00864	3.2
85.60829	0.8
87.00874	42.2
89.02428	1.3
93.03442	3.0
101.02436	1.2
109.02966	0.9
113.02431	1.3
114.68961	0.7
119.05078	1.0
121.02941	11.1
122.03741	3.1
123.04525	31.7
123.79127	0.9
130.99860	5.8
135.04515	1.1
137.02330	0.9
145.02896	1.1
146.03722	0.8
147.04555	6.7
148.05267	2.6
149.02367	1.5
149.06065	34.0
150.03174	2.9
150.06387	1.4
151.03972	1.3
157.32611	0.9
159.04459	1.5
160.05301	0.9
161.02475	1.2
161.06047	1.2
162.03195	1.8
163.04010	1.1
165.04016	6.3
165.05540	9.1
173.04477	1.7
173.29745	1.0
174.03210	1.9
175.03990	46.0
176.04382	1.9
177.01929	4.6
177.05434	1.3
184.78435	0.8
187.03946	2.1
188.04729	2.9
191.03448	1.0
193.05061	15.2
193.06752	1.2
195.02956	5.4
197.05968	0.9
199.04253	0.9
204.04286	1.6
211.04094	1.4
212.04791	1.1
213.09096	1.2
214.06461	0.9
215.07103	3.7
216.07822	0.8
217.01355	1.1
219.02959	9.6
223.07553	1.2
225.05594	1.9
226.06357	1.4
231.10353	1.3
237.04027	18.5
241.08658	4.4
254.04311	2.8
255.05049	11.9
257.08148	1.6
257.99020	1.0
259.09714	3.2
267.06598	2.7
268.07236	1.0
285.07681	1.0
293.07953	1.1
346.20059	0.9
365.08899	2.2
471.12857	7.7
515.15100	4.4
541.13562	1.3
543.11609	3.0
567.11438	4.3
585.12463	7.5
586.12976	1.2
603.13513	100.0
604.13861	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	603.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
61.98827	1.3
69.46407	5.0
71.01382	1.7
81.03437	0.9
87.00873	38.4
89.02437	1.1
89.40350	0.6
93.03444	1.5
94.23815	0.6
108.02144	0.9
109.02952	1.1
110.22802	0.6
112.98789	0.9
113.02381	0.6
119.05035	1.0
121.02950	12.2
121.06544	0.7
122.03723	2.5
123.04522	34.3
128.60715	0.6
130.99863	5.1
131.05026	0.8
135.04485	0.8
145.02930	1.1
146.03714	1.6
147.04520	7.7
148.05243	2.3
149.06068	37.1
150.03224	1.2
150.06375	1.5
151.03969	1.8
154.70096	0.5
159.04535	1.4
161.02399	1.4
162.03189	1.4
163.03946	1.5
165.04144	1.0
165.05553	9.3
174.03191	1.4
175.03986	34.9
176.04372	1.3
177.01912	4.3
177.05536	1.3
185.06078	1.0
187.03983	1.2
187.07591	0.9
188.04710	1.9
191.03415	1.4
193.05043	14.7
195.02963	2.8
197.06053	1.3
199.07582	1.1
202.06499	0.7
203.03470	1.4
204.04213	1.1
211.04030	1.4
212.04651	0.8
213.09125	0.7
215.07127	2.7
217.01433	1.2
219.02945	11.3
225.05557	0.7
226.06152	1.0
227.03401	0.8
231.10127	0.9
237.04015	17.4
238.04456	0.7
239.07092	2.0
241.05077	0.9
241.08647	6.7
253.05042	1.5
254.04295	1.2
255.05054	5.1
257.08115	1.0
259.09683	2.3
265.04993	0.9
267.06625	3.1
268.07349	2.3
269.08139	1.5
275.09225	1.6
281.04486	1.0
283.05978	0.9
285.07358	1.1
294.05020	0.9
305.06696	1.3
311.05673	0.7
312.06216	0.8
316.41687	0.7
338.04221	1.2
365.08765	4.0
471.12747	2.0
475.77206	0.7
515.15527	2.0
526.10596	0.7
541.13428	1.8
543.11383	4.0
567.11407	9.6
568.12158	0.8
585.12402	6.8
603.13507	100.0
604.13824	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	603.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98824	1.4
57.03448	2.4
59.01368	5.2
60.23193	1.4
64.24191	1.2
65.00304	2.2
68.99770	1.6
69.62550	9.0
71.01394	4.7
79.73548	1.3
81.03447	1.5
83.05013	1.9
85.02951	20.8
87.00874	12.9
88.93396	1.3
89.02427	1.9
91.01894	4.5
93.03461	12.6
95.01413	1.9
96.96007	5.7
98.20708	2.7
99.00890	1.8
102.20063	1.4
108.02172	11.7
109.02954	9.7
111.00808	2.3
111.04499	6.1
113.02387	1.7
119.05017	2.6
121.02926	1.9
122.03695	4.9
123.04517	10.3
124.01660	1.8
127.03976	2.4
129.01950	3.0
131.05019	3.4
133.06561	2.9
134.03716	1.6
135.04507	2.6
137.02425	4.6
143.04974	3.2
145.02980	2.5
146.03712	4.9
147.02937	2.9
147.04520	9.7
149.06041	1.5
154.02719	1.6
155.03482	5.8
155.04651	1.5
159.04507	100.0
160.05324	20.9
161.02428	2.1
161.06062	37.0
163.03966	3.3
164.04825	1.8
171.04468	1.8
172.05261	4.6
173.04520	17.2
173.06049	33.7
174.03244	2.0
175.03937	3.4
177.05560	3.6
186.03206	1.3
187.04012	9.1
191.02011	10.3
191.03676	2.8
191.05606	33.2
193.05127	2.7
197.05887	2.3
203.03421	9.4
204.04192	4.5
209.02994	4.7
211.07683	2.1
212.04742	1.8
212.10455	1.5
213.05521	3.9
217.01276	1.8
219.06569	2.4
221.04468	1.5
223.04073	1.5
223.07843	1.4
225.05644	2.0
225.09100	1.8
229.01331	2.6
237.05515	3.2
238.06319	2.4
239.07091	3.9
240.04199	1.5
241.05002	13.9
242.05792	2.9
250.06354	2.4
251.06972	3.4
251.09320	2.9
253.04936	5.5
253.08611	2.9
254.05786	2.7
256.07431	6.6
261.05573	4.3
263.07108	3.3
264.07773	3.7
265.04919	3.2
265.08786	2.4
266.05801	8.0
267.06577	25.2
268.07187	3.3
269.08093	3.5
277.04962	3.7
278.05847	2.7
279.06686	15.0
280.07538	8.2
280.10147	1.5
281.08182	18.2
282.08963	55.3
283.09171	2.3
286.59949	1.5
289.04974	2.5
290.05807	1.9
291.06717	1.9
293.08023	1.7
295.09662	6.4
297.11288	87.5
298.11490	4.6
306.05319	3.6
307.06094	10.2
308.06848	16.2
309.07657	3.1
319.02625	1.4
321.07736	7.0
323.05585	3.6
323.09164	15.0
326.08334	1.5
341.10303	48.0
342.10663	3.8
349.07138	6.2
367.03580	2.7
367.08185	55.2
368.08633	2.7
385.09250	25.8
386.09549	2.3
393.06165	40.5
394.06366	3.2
411.07043	9.2
429.08112	6.9
440.47925	1.5
471.12988	3.5
494.52414	1.6
515.15515	3.3
559.14282	4.6
585.12311	9.4
603.13470	80.3
604.13690	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	600.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00747	1.1
61.98827	100.0
71.53493	1.9
111.03667	1.5
149.68405	1.2
229.97983	1.3
233.07004	1.2
325.89963	1.3
496.69324	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	599.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
57.64334	0.6
59.01379	6.0
61.98815	0.9
65.04365	0.7
69.03424	1.7
71.01371	3.8
71.54256	1.3
72.32182	0.7
73.02939	3.0
75.00877	0.6
76.46014	0.7
83.01398	1.0
83.05036	1.2
85.02937	2.0
87.00845	0.9
88.98798	5.4
89.02470	1.1
97.06562	0.9
101.02440	3.5
104.41176	0.8
106.52055	0.7
108.23715	0.7
111.08147	5.0
113.02442	3.2
125.02404	0.8
143.03633	0.8
165.12836	48.2
166.13138	1.4
167.14449	0.8
181.12238	1.1
183.13884	88.8
184.14268	3.3
189.12834	1.7
191.10815	0.8
195.13910	0.9
197.15413	2.5
203.14413	1.2
207.13869	4.9
209.11833	5.8
221.15408	3.6
225.14903	2.2
227.12862	100.0
228.13145	4.9
231.13802	2.1
233.11815	3.3
249.14882	3.4
251.12836	9.6
263.12906	1.2
265.14444	5.1
269.13889	9.2
275.12881	6.5
293.13919	32.3
294.14194	2.1
298.01227	1.1
299.01910	3.0
299.14978	1.1
311.15063	4.3
313.03525	2.5
314.04254	2.4
323.15140	1.1
329.16107	4.6
371.17072	35.3
372.17282	1.7
389.18124	10.9
562.50110	0.8
584.19098	1.4
599.21234	8.4
599.30798	15.1
600.31281	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	600.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01361	2.0
61.98830	4.9
61.99103	0.8
65.42246	0.5
69.03456	0.9
70.90839	1.2
70.91199	0.8
71.01368	1.8
75.44144	0.5
81.42018	0.5
82.86706	0.5
85.02943	1.9
87.00845	2.0
88.04035	3.2
89.02429	0.8
93.03455	0.9
96.95971	1.0
97.06585	3.4
99.24479	0.5
115.00398	0.9
115.13731	0.6
121.02966	2.0
122.03651	0.8
123.04517	2.2
125.02419	0.6
132.02994	3.8
135.04510	0.8
145.02939	1.1
146.03723	2.4
147.04504	2.5
149.02422	0.8
149.06050	1.0
159.04494	5.2
161.02377	0.8
161.06021	1.6
163.04001	2.9
163.07649	1.4
164.04788	4.4
165.05353	0.6
172.05243	0.8
173.02402	1.0
173.04536	0.9
173.06036	0.6
174.03218	1.3
174.06842	6.6
175.03947	0.9
175.07655	4.3
186.06812	1.6
187.07486	0.8
188.04761	30.1
189.05540	12.5
190.06078	1.1
193.05025	0.9
199.07593	1.0
201.05540	0.8
203.07112	5.3
204.07896	6.4
205.08620	0.8
213.05637	1.2
214.06364	6.4
216.07761	1.0
217.08669	100.0
218.08998	5.5
219.10234	1.0
225.09256	0.9
232.07455	3.1
243.10226	15.7
244.10551	0.8
244.77391	0.6
250.07283	2.9
261.11282	42.9
262.11569	2.4
281.66068	0.7
284.06894	0.9
290.30530	0.6
349.09253	5.5
369.05563	0.6
374.32419	0.6
381.13290	0.8
482.07315	0.6
513.13806	0.8
557.12970	1.1
572.79022	0.8
601.12976	0.8
601.23303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37884	0.9
56.18502	1.0
57.03432	2.9
58.00583	3.1
59.01378	61.1
65.59941	1.1
71.01380	29.5
71.09316	1.5
71.09657	2.0
72.02171	2.2
72.11039	1.0
73.02937	2.4
80.31680	1.0
81.15372	0.9
82.66076	1.1
85.02935	8.1
87.00883	2.6
89.02445	28.9
94.78693	1.2
95.01405	2.1
99.00838	1.0
101.02451	15.0
101.06101	1.7
105.31734	0.9
109.18082	0.9
113.02441	13.7
119.03491	8.5
121.52779	1.1
124.05244	1.3
127.78368	1.1
143.03546	1.6
161.04591	2.0
179.05692	2.5
231.00620	1.1
240.54774	1.1
259.20630	4.7
261.22208	43.8
262.22562	3.2
287.20120	3.0
301.21805	2.3
303.23206	9.1
305.21191	27.9
306.21463	1.9
329.21060	4.5
330.21198	1.2
331.19037	12.1
332.19376	1.2
345.20609	2.2
347.22241	100.0
348.22464	7.9
349.20148	23.0
350.20493	2.0
373.20251	8.6
374.20792	1.3
389.23291	1.4
391.21234	91.4
392.21472	8.0
433.22260	8.4
492.14932	1.2
493.23370	1.3
511.25519	7.8
529.63141	1.0
553.26459	53.1
554.26660	5.6
571.93347	1.1
597.31104	1.2
598.39740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82245	0.7
57.03410	3.6
58.00573	1.3
59.01378	58.4
59.01651	2.5
60.01720	0.9
61.98828	5.4
69.03423	2.4
69.30457	0.8
71.01380	19.8
71.04980	1.0
71.54554	1.1
72.99265	2.0
73.02901	2.6
75.00833	1.1
78.94878	0.7
81.03408	0.8
83.01347	1.4
83.04984	1.0
85.02947	7.9
87.00877	9.3
89.02441	11.9
93.03405	1.9
95.01331	1.6
97.02855	1.1
97.06554	1.2
99.00811	1.2
101.02432	10.7
109.06570	1.6
109.66026	0.9
111.08143	7.4
113.02448	6.9
119.03520	4.1
125.02353	1.7
141.30188	1.0
147.04436	1.9
163.11270	5.8
165.12833	54.1
166.13089	2.2
173.04468	1.0
183.13890	33.2
184.14149	1.7
197.15469	6.8
207.10252	9.2
207.13562	0.9
209.11844	5.3
225.14661	1.5
227.12872	15.0
228.13094	1.2
230.88158	0.9
230.90923	1.0
251.12518	2.4
349.19443	1.2
369.15173	2.1
387.16565	42.4
388.16370	3.4
515.52527	1.0
544.03644	0.9
553.29651	1.6
559.10376	0.8
561.23029	2.4
579.27917	3.9
588.28119	1.1
597.09039	2.1
597.28870	100.0
597.78943	1.2
598.10919	1.1
598.29083	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	599.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29548	1.0
55.01879	1.3
57.03438	3.3
59.01372	10.4
60.92987	1.1
61.98817	3.9
65.50370	1.0
71.01358	5.3
71.54893	2.2
72.99314	1.4
73.02956	1.4
83.01385	1.0
85.02948	32.9
87.00875	9.4
89.02422	1.9
99.00860	1.3
101.02437	1.5
113.02439	1.2
121.03041	2.0
121.19843	1.1
122.03703	1.2
125.02419	1.2
129.01942	4.2
130.99873	2.1
147.03014	3.4
147.04477	2.3
148.01640	2.9
173.04543	2.4
175.03893	1.5
191.01978	16.6
193.05168	1.2
205.08490	1.2
209.03026	14.9
211.04041	2.0
212.04884	1.2
227.03505	4.6
228.04161	1.6
247.09709	1.5
255.02901	4.4
256.03677	4.7
267.02878	1.3
283.02509	3.7
284.03238	69.5
285.03656	3.8
299.05588	100.0
300.05859	8.2
349.23743	1.6
351.21762	1.4
441.10208	2.8
484.11987	2.8
502.13586	1.7
555.27527	1.1
558.69116	1.2
599.27081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03443	0.9
59.01389	2.5
59.26881	0.4
61.98830	1.2
65.00326	0.7
67.01890	0.5
68.65300	0.4
69.03460	1.4
69.95208	1.3
69.95621	0.8
71.01390	2.4
71.34713	0.4
73.02937	0.9
78.95909	1.0
79.01888	0.5
80.25265	0.4
80.97523	0.4
83.01395	1.3
85.02945	2.8
87.00874	1.9
89.02433	1.9
93.03456	1.3
95.01382	3.7
96.96015	1.7
96.96981	0.7
97.02936	2.3
99.00883	7.8
101.02456	1.0
105.17005	0.4
108.02178	0.5
109.02962	1.0
109.73124	0.4
110.00114	1.8
111.00877	6.1
113.02448	1.1
116.92871	1.1
123.00880	12.9
123.04487	0.4
125.02467	0.6
135.00859	0.8
135.04558	0.6
136.98811	1.4
137.02431	2.0
139.00363	10.5
140.01155	6.0
141.01935	68.2
142.02237	1.5
145.02934	0.6
149.02475	0.4
149.04587	0.5
150.03174	0.6
150.61934	0.4
152.00995	0.4
153.01909	1.3
163.00409	0.6
163.04018	0.8
164.98271	5.8
165.01936	0.9
165.04120	0.6
165.05537	1.4
165.99075	15.7
166.99849	25.4
168.00211	0.7
171.04485	0.7
177.01984	0.4
181.01389	0.5
181.05058	0.4
182.99339	3.0
184.00122	19.1
185.00893	14.8
190.99864	2.3
191.05577	0.9
195.06569	0.6
196.06926	0.4
199.03891	0.5
209.00978	0.7
215.03517	0.7
219.02937	1.1
243.02776	0.7
248.89662	0.4
262.49414	0.4
287.01892	1.6
309.73361	0.4
435.12131	0.4
443.08115	0.7
461.09344	18.0
462.09753	1.3
479.10376	100.0
480.10693	7.8
555.16571	0.7
599.12317	48.6
600.12628	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	597.328
Annotation	Cyl-2
Peak:m/z	Relative Intensity
55.01864	0.6
57.03445	1.7
57.85979	0.3
58.00592	1.3
59.01377	18.9
61.98820	0.8
65.00314	0.3
68.99804	0.5
69.03457	1.1
71.01376	15.3
71.04977	0.3
72.99301	1.4
73.02944	2.8
75.00861	1.1
83.01373	2.0
83.05040	0.6
85.02940	5.5
87.00861	2.5
89.02440	7.4
95.01370	0.9
97.02932	2.6
97.06566	0.9
99.00874	1.3
99.04511	1.5
101.02436	6.3
109.02934	0.5
109.06580	0.6
111.00888	0.6
111.04480	0.4
111.08127	1.5
113.02448	4.5
115.03967	0.4
119.03480	2.1
123.54900	0.3
125.00555	0.3
125.02438	10.4
127.03991	0.8
131.03539	0.5
137.02406	0.4
137.06067	0.4
143.03542	0.5
147.04466	0.4
151.07634	0.4
153.05577	0.4
161.04564	0.9
163.03909	0.3
163.11191	0.5
165.01898	0.3
165.12836	11.5
166.13184	0.9
167.14442	1.0
173.09718	0.5
173.47614	0.3
182.31236	0.3
183.13881	64.3
184.14211	3.2
185.14473	0.3
189.12852	3.8
191.10611	0.4
194.25000	0.3
195.13881	0.8
197.15443	17.2
198.15788	0.7
207.13892	2.2
209.11740	2.0
225.14922	1.9
226.15147	0.4
227.12898	4.9
228.13190	0.9
229.13470	0.6
241.14426	0.9
251.12776	0.6
269.06647	0.8
283.02499	0.7
293.48221	0.3
298.04721	0.6
299.05527	0.5
331.16562	0.7
364.90976	0.3
389.18234	0.6
391.18790	0.7
561.22858	0.8
579.31183	0.5
597.32758	100.0
597.79248	1.8
598.33118	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	597.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01629	0.6
55.01877	8.6
56.02192	0.5
57.03428	1.7
59.01377	14.2
59.81528	0.4
61.98831	12.6
68.05022	0.5
69.03434	1.5
70.55187	1.1
71.01008	0.9
71.01383	14.8
72.99301	2.3
73.02934	3.3
75.00867	8.9
81.03449	0.6
83.01402	3.1
83.05001	0.7
83.42385	0.5
83.47423	0.4
85.02948	8.4
87.00883	4.7
88.98788	0.7
89.02431	5.5
93.03454	1.4
95.01373	1.4
96.96003	1.5
97.02936	1.1
99.00872	1.8
99.08087	0.6
101.02448	8.5
108.02151	0.6
109.02934	0.6
111.00864	1.5
113.02451	4.5
113.06041	0.5
119.03468	1.4
119.05029	1.2
123.04501	1.0
124.01684	0.7
125.02436	1.6
129.01923	6.3
130.99953	0.7
132.02119	0.7
134.03741	0.8
135.02922	0.6
137.02394	1.5
145.02927	1.6
147.02974	5.1
147.04477	1.4
149.02516	0.6
149.06100	0.7
150.03145	0.5
161.02463	3.0
163.03972	1.0
165.04111	2.4
165.05409	0.8
173.04533	2.0
187.07605	0.5
189.01891	1.9
190.02719	1.6
191.01915	0.7
191.03563	0.7
191.05597	1.2
193.05147	1.3
205.05095	1.3
211.07727	0.6
223.06232	0.5
233.00922	0.8
255.02980	0.9
269.21204	2.1
284.03131	1.8
285.20370	0.7
287.22260	30.2
288.22662	1.5
299.05698	0.9
301.03058	0.6
329.23145	0.9
336.05887	0.6
375.27451	2.1
421.13657	0.5
431.26471	7.9
441.08502	0.5
449.27533	100.0
450.27802	6.8
477.11148	0.5
511.20099	0.8
521.10760	0.6
533.05823	0.6
567.21704	0.8
597.31256	87.1
598.22809	1.0
598.31537	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	597.1821
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
53.00929	0.9
54.19053	0.8
59.01358	3.3
61.98818	3.1
67.38076	0.7
69.03449	1.3
69.50034	2.3
69.50443	2.2
70.88580	0.9
71.01387	5.2
72.99300	2.0
73.02934	2.7
75.00858	1.2
81.03461	1.0
83.01363	3.0
85.02947	2.6
87.00870	23.2
88.01215	0.8
89.02437	1.5
93.03439	3.6
95.01353	1.0
96.95977	1.9
97.02940	2.3
98.19921	1.6
99.00851	3.0
100.01655	1.8
101.02415	2.7
109.02934	2.2
111.00871	26.5
112.98748	1.1
115.00353	1.0
116.65639	0.7
121.02937	4.2
122.03743	9.1
123.00827	1.6
123.04490	2.2
125.02450	1.6
127.03986	1.2
129.01935	1.6
131.03459	1.8
133.02939	1.3
134.03717	0.8
135.04541	1.1
136.01619	1.7
136.45750	0.7
138.03168	0.8
139.44130	0.8
142.99791	0.7
147.03038	1.0
147.04462	1.5
149.01274	1.2
149.02425	18.0
149.06119	1.1
150.03214	63.6
151.00308	1.2
151.03993	6.9
151.90025	0.8
153.05498	1.1
157.52669	0.8
161.02403	2.4
162.03157	1.0
163.03958	1.8
164.04779	9.0
165.05551	69.6
166.02681	3.1
166.05836	2.5
173.00897	1.7
174.01671	0.8
176.04735	2.8
177.01895	1.1
177.05461	1.0
178.06224	1.3
179.03517	4.5
179.07135	8.8
180.04279	6.4
181.05031	5.2
182.26921	0.7
190.02754	1.3
191.01935	1.8
191.03505	1.8
191.07129	1.4
191.29027	0.7
192.04182	1.3
193.08678	0.9
194.05829	4.6
195.06604	20.7
196.07001	0.8
205.04976	2.1
206.05772	1.6
207.06592	0.9
209.08173	6.8
219.03011	1.8
219.06645	1.6
220.03726	0.9
221.04414	1.3
221.08206	1.0
229.10695	0.9
234.01537	0.8
234.05278	2.1
237.07579	0.9
239.05556	1.0
247.05934	1.7
249.03979	2.2
249.07692	4.4
253.21689	0.9
261.07669	0.8
262.04843	1.0
264.06384	11.5
265.07144	5.2
277.07291	1.1
279.08612	1.3
291.08795	1.2
302.32388	0.9
321.09784	1.5
337.09201	6.8
357.13528	2.0
385.13043	0.9
397.12570	1.0
399.14499	0.9
413.12463	4.4
461.14487	37.5
462.14841	2.8
473.14056	1.6
487.16028	2.4
505.17267	2.2
517.17267	1.1
521.16364	3.8
533.16730	0.9
579.17108	8.9
597.18195	100.0
598.18500	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49788	0.6
54.98401	0.7
57.03458	0.8
59.01364	2.6
61.98850	0.6
62.99805	0.6
67.01867	0.8
69.03450	1.2
69.63554	1.3
69.63961	3.1
71.01381	6.7
72.99306	1.0
73.02937	3.3
75.00861	1.2
81.03439	1.1
83.01392	2.0
85.02957	4.9
87.00871	22.2
87.40924	0.7
89.02432	1.4
93.03440	2.6
96.95985	1.2
97.02937	1.3
99.00855	3.8
100.01657	2.0
101.02436	2.5
107.04984	0.7
109.02937	1.9
111.00883	13.8
112.31824	0.8
112.98820	2.7
121.02941	3.2
122.03745	8.1
123.00871	5.6
123.04471	1.5
130.02727	1.1
131.03481	1.2
132.02113	1.0
132.03012	1.4
133.02943	1.7
135.04500	1.5
136.01617	0.8
138.03255	1.3
138.72289	0.7
142.99831	3.1
143.03522	0.7
145.01378	0.8
147.04530	1.4
149.02431	17.2
149.06050	0.8
150.03221	69.2
151.00330	1.1
151.04053	5.4
153.05592	1.2
157.57166	0.7
159.04446	0.8
161.02431	2.8
163.04030	3.6
164.04791	6.9
165.05557	80.5
166.02711	2.9
166.05888	3.1
168.59003	0.7
173.00897	5.8
174.01649	2.6
175.04001	2.2
175.07657	0.9
176.04744	3.5
177.01973	0.8
177.05508	1.6
178.06314	2.3
179.03496	3.6
179.07071	5.7
180.04256	6.6
181.05034	5.4
188.04712	0.9
189.05734	1.1
190.02618	1.4
191.03511	4.7
191.07069	2.2
193.04936	1.2
193.08612	1.5
194.05852	3.6
195.06616	29.2
196.07004	0.8
203.03444	2.0
203.07169	1.1
205.04973	3.3
205.86293	0.8
206.05869	3.6
207.06639	1.1
209.08199	5.3
218.05791	0.8
219.02966	2.2
219.06693	1.3
220.03612	1.0
221.08107	5.3
222.05302	1.0
229.01430	0.8
232.03769	0.8
233.08237	0.9
234.05341	2.8
246.05171	1.1
247.02467	2.9
247.05972	1.0
249.03975	1.6
249.07649	3.2
250.07095	1.1
259.05994	1.1
261.04135	3.6
262.04791	4.4
263.05493	1.6
264.06375	6.1
265.07062	3.7
275.05261	0.7
276.06403	3.1
277.07166	12.0
291.08740	0.9
295.08618	0.8
322.06946	2.3
337.09225	24.9
338.09564	1.6
341.13846	1.0
357.13370	1.2
369.13409	7.4
385.12878	0.9
400.09869	0.7
413.12347	4.8
425.12259	1.2
443.13205	1.6
461.14459	22.6
462.15005	2.1
473.14905	3.3
485.14453	1.9
491.15701	1.3
503.15347	1.2
521.16583	2.9
524.53094	0.9
531.14807	1.9
533.16656	6.5
579.17249	17.6
580.17352	1.4
597.18182	100.0
598.18536	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.01200	0.8
61.98822	1.5
69.34089	6.7
78.95902	59.5
81.98814	0.9
83.95827	1.0
96.96025	1.2
96.96956	9.6
98.20669	1.7
112.70257	0.9
152.99579	50.1
223.00128	2.3
240.98724	1.9
241.01151	26.6
255.02931	2.2
259.02200	1.0
271.02493	3.9
279.23279	61.5
280.23691	3.6
300.02686	9.2
315.04709	6.8
415.22565	4.7
595.13080	5.9
595.28864	100.0
596.13562	1.2
596.29126	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01363	0.5
64.38271	0.4
70.03186	1.3
78.95901	60.7
85.08243	0.4
96.96960	10.7
98.20029	0.5
112.04588	0.4
126.07404	0.4
127.64022	0.4
150.97990	1.2
152.99579	83.3
153.99867	0.9
171.00607	2.0
222.98061	0.9
223.00105	10.5
241.01173	23.1
242.01443	0.5
259.02173	1.4
268.05338	0.4
271.02393	1.1
279.23267	61.1
280.23633	3.9
299.12625	0.6
300.02771	1.6
315.04831	13.1
333.05600	0.5
378.72778	0.5
413.90411	0.4
484.67459	0.4
595.28845	100.0
596.29224	9.8
606.99652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.01077	0.8
59.01376	17.8
60.18485	0.7
61.98823	4.2
69.03456	1.0
71.01382	7.0
71.05019	1.0
72.99317	1.1
73.02948	2.1
83.05042	2.8
85.02933	5.0
87.00867	3.5
89.02435	3.3
93.03485	1.0
95.01387	0.7
96.96005	0.8
97.02880	0.7
97.06615	1.2
98.20683	1.5
101.02434	11.0
105.03516	0.7
111.08156	5.4
111.92451	0.6
113.02436	3.4
119.03503	1.1
121.02973	1.0
125.02454	0.9
131.03461	1.5
143.03461	1.3
147.04486	3.6
161.04564	2.8
163.03940	1.4
163.11317	0.8
165.12842	49.8
166.13145	1.3
167.33626	0.7
173.04610	1.1
181.12375	0.6
183.13890	73.2
184.14233	2.0
187.03877	0.7
191.10709	1.3
192.04301	0.9
197.15466	2.9
207.13907	6.1
209.11868	5.5
220.68724	0.7
225.14964	2.7
227.12871	100.0
227.99220	0.7
228.13161	2.9
229.38593	0.7
237.15120	1.3
241.14407	0.8
243.03049	1.4
251.12866	18.7
252.13258	1.2
255.02969	3.0
263.12848	1.4
269.13956	5.1
271.02454	7.4
281.13953	1.6
284.03180	1.2
293.13947	2.2
299.01883	1.3
299.05310	0.8
299.14987	8.4
300.02756	12.5
301.03195	1.8
314.04254	1.4
329.16013	33.1
330.16385	1.7
389.18155	43.3
390.18307	2.7
563.23676	0.8
595.12775	9.2
595.31073	24.4
596.30927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01376	7.7
59.96324	0.9
61.98828	7.7
65.00317	1.2
67.13326	0.9
69.41249	2.1
69.41666	5.9
71.01385	7.1
71.97250	0.9
72.99284	1.5
73.02930	3.6
75.00871	1.0
79.90350	1.1
83.01402	2.2
85.02944	3.7
87.00880	12.2
89.02450	3.1
93.03447	3.9
95.01358	1.1
96.96008	1.3
99.00867	4.0
100.01672	2.6
101.02434	3.8
107.01364	1.5
109.02957	1.7
111.00883	8.1
112.98798	3.4
113.02454	2.4
121.02937	3.4
122.03722	10.1
123.00902	4.8
123.04517	1.6
124.01700	1.4
125.02461	1.2
127.74341	1.1
129.01892	0.9
131.03558	1.0
133.02921	2.3
135.04488	1.5
137.02443	1.6
142.99863	3.1
143.55795	1.1
147.04471	1.6
149.02454	16.2
149.06055	2.8
150.03226	75.4
151.00363	5.5
151.03998	5.3
153.05609	1.1
161.02414	2.9
163.03943	2.8
164.04774	6.8
165.05566	100.0
166.02678	4.2
166.05910	2.9
173.00938	5.4
173.04536	1.4
174.01651	3.7
175.03983	2.0
176.04750	3.5
178.06361	2.5
179.03482	4.3
179.05716	1.1
179.07156	4.0
180.04294	8.0
181.05081	6.5
190.02637	1.0
191.03566	5.1
191.05414	1.0
191.07150	1.1
193.05014	2.3
194.05833	4.7
195.06622	40.1
199.11374	1.0
202.02708	1.1
203.03505	1.9
203.05399	0.9
205.05042	3.5
206.05759	3.2
207.06673	1.3
209.08165	3.8
218.02353	1.1
219.03000	2.7
219.06696	1.0
221.08183	3.5
229.01434	1.1
234.05377	2.3
237.04005	1.7
247.02357	3.5
249.07716	2.4
261.03992	3.2
262.04849	4.5
264.06329	3.2
265.07147	4.4
276.06561	2.7
277.07217	9.6
285.04089	4.0
325.09341	1.0
327.12228	1.6
337.09283	25.2
338.09555	1.3
375.14270	1.1
399.14783	1.8
461.14548	21.8
462.14841	1.8
473.14630	2.2
482.26270	1.0
491.15128	1.6
521.16620	3.7
533.16663	4.1
551.09875	1.1
579.17053	12.9
597.18213	92.5
598.18591	9.1
604.78918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1301
Annotation	Peltatoside
Peak:m/z	Relative Intensity
67.92762	0.5
70.54133	1.7
89.58522	0.5
107.01405	1.2
108.02219	0.6
115.61024	0.5
121.02895	1.0
124.01722	0.6
135.00914	0.6
148.01653	0.6
151.00377	3.0
178.99936	2.5
199.03978	0.6
203.44357	0.6
226.02617	0.9
227.03525	1.9
238.00632	0.5
243.02946	6.7
254.02246	1.8
255.02969	17.0
256.03394	0.7
271.02457	40.5
272.03134	2.6
299.01901	1.1
300.02728	100.0
301.03323	11.5
440.17111	0.6
595.12988	57.6
596.13062	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	595.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06825	0.3
54.74551	0.3
65.00321	0.7
70.91098	0.7
83.01405	0.3
84.66667	0.3
93.46578	0.3
107.01375	1.3
108.02192	1.1
121.02973	0.9
135.00871	0.5
148.01672	1.1
151.00359	5.6
163.00381	0.3
164.01025	0.5
167.36578	0.3
178.99855	3.6
197.45726	0.3
199.03920	0.7
215.03427	0.6
216.04234	0.4
226.02686	1.5
227.03500	2.1
235.14073	0.3
243.02960	9.9
244.03545	0.6
245.04623	0.4
254.02220	2.0
255.02969	23.3
256.03281	0.7
271.02454	52.5
272.03006	3.1
273.03778	0.5
283.02554	0.5
299.02048	1.5
300.02725	100.0
301.03323	12.6
343.04581	0.3
463.08633	0.7
595.12982	75.1
596.13446	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	595.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
65.00317	1.4
68.99799	1.2
69.03455	1.1
69.65517	2.6
69.65947	2.4
71.01387	1.7
79.01894	1.6
81.03452	2.6
83.01391	2.6
93.03439	5.4
95.01365	2.5
97.02959	3.2
101.02462	1.0
105.03533	0.8
107.01391	6.5
107.05033	2.2
108.02194	1.0
109.02950	2.8
111.00883	1.0
111.04494	2.9
117.03449	0.9
119.05021	35.5
120.05402	1.0
121.02968	4.1
123.00877	2.7
123.04514	3.6
125.02450	8.4
129.64209	0.9
133.02959	1.2
135.04488	3.3
137.02415	4.5
137.06133	1.1
139.03996	6.1
143.05040	5.2
145.02959	7.1
145.06662	1.0
147.04524	2.6
149.02440	4.0
149.06041	0.9
150.03171	1.5
151.00339	6.4
151.03978	1.2
157.84816	0.7
159.04526	1.3
159.51048	0.9
161.06136	2.0
163.00366	3.3
163.03986	4.2
164.04747	1.0
165.01938	6.6
165.05568	1.4
167.03487	8.4
175.03998	1.1
177.01924	5.5
177.05496	1.3
178.02660	1.6
179.03494	3.7
185.06107	1.8
187.03984	6.2
189.02010	0.9
189.05508	1.9
191.03511	4.0
193.01385	8.8
193.05045	1.9
197.04524	3.9
199.07628	2.6
203.03496	1.1
204.00679	1.0
204.04494	0.7
205.01425	6.3
205.04929	1.5
206.02226	1.2
207.03030	3.8
209.04579	3.8
218.02151	1.0
219.02956	2.7
221.04555	1.3
223.02411	1.6
223.07448	0.9
227.07147	2.5
231.03195	0.8
235.02483	15.5
239.05431	1.9
241.08543	1.4
243.06555	1.3
247.02544	1.8
249.04047	2.6
261.04004	1.4
265.03540	4.9
265.08563	1.7
267.06683	0.9
269.08221	1.3
271.02722	1.2
271.06070	4.9
283.06116	1.9
291.05002	1.0
299.08868	0.9
300.02655	1.8
311.05630	0.9
313.07190	18.3
313.10602	0.7
314.07428	0.9
325.07104	7.3
326.07617	1.0
327.08740	1.6
343.08151	7.1
353.06522	1.0
355.08194	80.6
356.08551	5.5
367.08032	4.7
369.10016	1.3
385.09253	67.1
386.09677	5.7
397.09299	2.8
415.10260	18.5
416.10733	1.2
427.10162	1.6
457.11368	8.6
475.12430	37.9
476.12863	2.5
487.12460	5.5
505.13477	10.1
577.15594	5.3
594.62347	0.8
595.16663	100.0
596.16937	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	594.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53432	1.3
55.01863	2.1
57.03425	4.3
58.00574	3.2
59.01377	81.6
60.01698	3.5
61.98549	1.4
61.98828	20.7
62.57856	1.1
65.00306	3.9
65.37394	1.2
67.01862	2.2
69.03431	2.0
71.01381	38.8
71.53345	1.4
72.01700	1.2
72.99297	5.8
73.02571	1.8
73.02946	30.9
74.03245	3.0
75.00859	1.7
81.03447	1.9
83.01385	5.7
83.04999	2.4
85.02950	36.2
86.03254	4.1
87.00867	15.0
87.04478	3.6
89.02439	32.0
89.24247	1.1
93.02938	1.4
93.03445	14.0
94.03797	2.6
95.01357	2.0
96.57146	1.2
96.95954	2.4
97.02922	2.2
99.00864	4.0
101.02441	60.9
102.02743	4.6
103.04012	19.0
104.04305	1.6
107.01345	4.7
108.02132	1.9
109.02934	9.4
111.00798	2.4
111.04480	2.7
111.22040	1.1
113.02438	7.0
115.04003	6.9
119.03498	10.5
119.04961	2.8
120.01257	1.3
120.03792	1.6
121.02935	9.4
123.00837	1.8
123.04494	1.5
124.01595	3.9
125.02465	8.0
127.03930	3.3
129.01849	1.5
130.80441	1.1
131.03494	13.2
133.02902	1.6
134.03749	11.4
135.04144	2.1
137.02454	8.4
138.02715	1.2
139.00291	1.7
139.03986	1.6
143.03519	12.2
145.04970	5.2
147.02946	3.0
147.04440	2.4
149.02353	5.6
149.04599	1.6
149.05984	6.9
150.03104	4.0
150.06392	2.0
151.00357	17.3
151.03651	1.7
152.01183	9.1
153.01883	1.6
155.03400	3.5
161.02373	2.2
161.04506	2.2
163.06117	100.0
164.04697	2.2
164.06361	13.6
165.01920	15.5
165.05460	4.1
166.02188	4.3
166.05812	1.8
167.03386	1.6
173.03137	1.5
173.04541	28.8
174.04926	6.4
176.01118	1.3
178.02701	6.1
178.99854	10.9
179.03192	4.1
179.05534	1.7
180.04237	7.2
181.04634	1.6
191.01974	11.1
191.03529	2.5
191.05524	6.3
192.02194	3.1
193.01285	3.3
193.03401	1.4
193.05045	22.6
194.05414	8.5
195.06647	11.3
196.06802	5.2
205.07181	23.2
206.07510	1.4
208.03670	2.8
209.02971	11.6
210.03308	2.5
210.05109	2.4
213.01758	1.8
216.00508	2.0
223.06180	5.9
224.00220	3.3
224.06366	2.5
224.50665	1.2
225.07607	6.7
226.07922	4.6
235.07948	1.4
237.03947	2.1
243.02856	1.5
253.01424	2.2
254.02097	2.2
255.02808	3.7
265.09311	11.6
266.09415	1.6
267.06628	1.3
268.03558	1.4
269.00943	9.2
271.02286	4.3
271.05273	1.3
277.02200	1.3
284.03314	1.7
285.02734	1.8
285.52310	1.9
286.01050	2.9
290.51611	2.5
296.03055	1.9
297.03473	2.9
298.07669	2.5
299.01764	5.7
299.05383	4.2
299.52118	2.1
300.02527	10.4
300.05862	3.2
301.03510	5.7
301.06735	1.6
311.05371	2.6
312.05850	2.8
312.09933	1.3
313.07040	2.0
325.11154	3.3
326.07834	2.9
327.08093	4.8
330.06714	2.8
355.08023	5.7
356.06775	2.1
369.09753	9.2
370.06082	1.5
370.10049	13.5
371.11282	7.2
372.11749	9.3
385.09036	4.1
418.03125	1.8
419.03781	3.0
419.13263	5.5
420.13629	7.8
446.06598	1.4
446.56720	3.0
447.07571	13.7
447.57376	3.8
468.07605	1.5
475.12537	2.4
490.23370	1.6
528.10107	2.8
533.26019	11.0
534.19427	1.4
534.26379	13.7
535.23645	1.5
593.18073	3.6
594.11713	66.5
594.19153	7.4
594.62421	33.2
595.11932	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	595.2758
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
55.01867	0.7
57.03434	1.7
59.01371	7.6
61.98822	4.5
68.99782	0.6
69.03430	0.6
69.31178	4.6
71.01379	6.2
72.03042	0.5
72.35668	0.5
72.99300	1.9
73.02934	1.7
81.03446	1.0
83.01381	1.7
85.02947	12.8
87.00858	5.1
89.02442	1.9
91.01872	1.2
93.03452	2.5
95.01331	1.0
99.00902	1.3
101.02428	2.8
107.01396	1.0
107.05004	0.7
109.02922	1.0
111.00852	0.7
113.02450	3.1
117.03445	0.7
119.01358	2.9
119.05014	1.2
121.02950	3.1
123.04529	0.5
124.05385	0.5
125.02415	3.6
129.01897	1.7
134.03746	1.0
135.04520	2.1
135.05518	0.5
136.07675	2.1
137.02411	2.4
143.03481	1.0
145.02908	1.0
147.00877	4.8
147.02963	1.7
147.04544	1.3
148.01660	0.6
149.02437	8.6
149.06042	1.6
150.03148	1.7
151.00385	3.6
151.03990	1.0
152.01108	0.9
161.02405	1.7
161.04564	1.1
163.00356	0.6
163.03940	2.8
164.04765	7.9
165.01889	1.6
165.05496	1.5
173.04517	1.4
174.98825	1.0
175.00345	19.6
175.03952	1.0
175.07512	0.6
176.00932	0.8
177.01926	0.9
178.99846	2.0
179.03413	0.6
179.07190	1.2
180.04181	0.6
190.02704	55.7
191.01616	3.3
191.03496	2.9
191.05589	1.6
193.04987	1.3
199.03864	1.0
203.03482	0.6
205.03598	4.1
205.05055	55.8
206.05417	2.2
208.03752	1.5
209.02838	1.2
209.04581	1.5
211.03967	0.6
223.04475	1.5
223.06259	7.7
226.02716	0.8
227.03429	2.0
243.02966	5.9
251.05473	0.6
254.02177	0.9
255.02965	12.5
256.03326	1.2
271.02448	31.3
272.02982	2.7
283.13367	0.8
284.03146	1.0
285.03683	0.7
299.05502	1.1
300.02722	55.7
301.03323	8.8
301.06592	0.9
347.24176	0.9
447.07224	0.6
522.34375	0.5
551.30646	1.0
565.22351	1.8
580.25940	1.1
595.12909	38.6
595.27472	100.0
596.13385	6.3
596.27942	12.0
600.63422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68718	0.4
59.01368	1.2
60.14968	0.4
70.84727	0.7
70.85035	0.4
78.95897	58.1
94.56443	0.4
96.96956	10.7
124.58980	0.5
150.98019	0.9
152.99573	83.7
153.99937	0.8
171.00609	2.6
184.09038	0.5
223.00105	8.7
241.01173	20.7
242.01495	0.9
259.02246	1.6
277.21686	44.6
278.22000	3.6
299.05325	0.6
315.04828	14.7
333.06122	1.0
434.48242	0.5
481.94553	0.5
522.39227	0.4
593.27240	100.0
594.27551	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31281	1.1
59.01379	5.4
61.79190	1.1
61.98815	3.7
71.01342	1.5
71.54610	2.0
78.95901	68.1
89.02437	1.8
92.35403	1.1
96.96954	15.9
121.02932	1.9
149.24538	1.0
152.99583	56.9
156.75014	1.0
209.04500	1.4
209.11867	2.1
240.04100	1.6
241.01181	28.7
271.02615	1.3
277.21704	45.9
278.22183	3.2
284.03174	8.5
299.05548	12.4
315.04840	9.1
325.34302	1.1
363.19730	1.2
413.21042	6.1
490.06177	1.1
593.27228	100.0
594.27820	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87129	1.4
52.81123	1.6
57.03442	4.8
58.00588	2.9
59.01378	96.8
61.98833	8.3
67.01888	4.0
67.47042	1.9
69.03447	3.6
71.01379	33.8
72.99297	5.3
73.02554	2.4
73.02948	33.5
75.00865	3.1
81.03448	4.6
83.01378	3.6
83.05029	4.9
85.02955	28.4
87.00874	16.2
87.04524	3.6
89.02447	27.4
93.03455	26.9
96.95986	5.4
97.02964	1.5
99.00890	3.3
99.04513	2.1
101.02441	66.2
103.04021	18.2
109.02956	5.5
111.00845	1.9
111.04481	8.2
113.02448	9.3
115.04005	6.4
119.03505	11.5
119.05009	4.1
121.02982	5.5
122.03734	3.5
123.04535	6.1
125.02439	8.3
127.04005	3.3
129.01927	3.0
131.03461	10.5
134.03741	29.0
135.00929	1.7
135.04550	3.5
136.01736	1.5
137.02448	13.5
139.04012	3.0
143.03502	14.2
145.05042	6.4
145.43295	1.8
147.04501	9.9
148.05273	4.5
149.02455	14.3
149.06064	27.9
150.03214	22.5
151.00359	2.6
151.03937	2.7
152.01186	3.3
155.03502	6.7
161.04521	3.9
162.03270	1.7
163.03946	5.9
163.06117	100.0
164.04750	6.4
164.06494	1.7
165.01913	31.3
165.04097	2.8
165.05559	22.4
166.02687	2.1
167.03424	4.6
173.04550	65.7
173.06059	3.2
175.03981	3.6
177.05548	3.2
178.02753	17.4
178.99838	2.2
179.03461	7.0
179.05554	2.4
179.07089	4.1
180.04277	23.0
191.01955	7.0
191.03516	2.1
191.05583	4.7
192.04277	1.7
193.01395	5.5
193.03343	3.9
193.05046	70.7
194.05574	2.5
195.02802	2.1
195.06612	45.2
196.06984	1.9
205.07138	24.3
208.03743	11.8
209.02969	9.9
209.06032	2.4
210.05353	5.9
211.06033	2.6
219.02933	4.2
223.04149	2.8
223.06131	37.3
225.07642	25.3
226.07854	2.1
235.08192	2.3
237.03835	11.8
255.05099	7.0
265.09277	14.8
269.08105	2.3
270.72043	1.7
271.06082	1.8
284.03229	8.7
294.05133	1.7
297.07599	8.8
299.05582	8.2
301.07193	4.4
311.05637	2.8
312.10022	3.7
325.11240	4.1
329.06689	13.3
330.06882	2.1
331.08521	1.9
341.06778	1.8
353.06500	8.0
357.13071	1.6
359.07764	2.5
369.09515	2.6
371.11249	19.3
383.07712	6.1
419.13388	26.0
420.13638	2.6
489.23511	4.0
533.26025	27.2
534.25903	2.2
551.26874	2.5
575.14398	2.4
593.14606	26.1
594.11957	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03436	2.8
58.00612	0.7
59.01376	100.0
60.01720	0.6
61.77603	0.5
61.98834	4.1
69.03449	1.3
70.68439	1.3
71.01377	15.8
71.01781	0.8
72.99313	1.3
73.02947	4.8
75.00880	1.1
77.54167	0.5
78.95921	0.5
80.91700	0.7
83.01381	3.7
85.02950	11.2
85.03462	0.8
86.00074	0.5
87.00877	4.6
87.77856	0.5
88.98795	0.7
89.02444	3.8
93.03467	1.4
93.20047	0.6
95.01399	1.9
97.02970	1.0
99.00901	2.4
99.75301	0.6
101.02431	7.9
111.00876	0.9
112.01669	0.6
113.02437	10.9
113.03146	0.7
114.67094	0.5
119.03482	1.0
125.02470	1.6
129.01950	0.7
133.03105	0.7
134.03555	0.7
141.02057	0.7
143.03500	1.2
145.02933	1.1
147.04556	1.4
151.47980	0.7
153.85413	0.6
159.04646	0.9
160.01735	0.8
161.02437	1.3
161.04575	2.8
163.31625	0.6
173.04555	1.9
175.04025	1.0
187.07707	0.8
190.02658	0.7
191.05531	0.7
193.05157	1.1
200.04695	0.8
201.09242	0.6
205.05196	1.3
227.03487	1.0
227.16551	0.5
253.18176	1.3
255.03114	1.7
256.03543	0.6
268.29657	0.5
270.01727	0.6
271.02536	1.0
271.19235	2.4
283.02643	1.0
284.03229	11.0
285.03540	2.8
299.02151	1.6
299.05511	11.9
299.26016	1.2
300.05954	1.4
329.23337	6.1
345.26581	1.1
345.29996	4.2
359.28070	0.9
359.49689	0.6
363.77649	0.6
391.99405	0.8
431.97189	0.8
471.90164	0.6
489.34290	61.7
490.34634	6.5
507.35327	21.2
508.36014	1.6
517.07819	3.5
533.33136	0.9
549.36810	9.1
550.37012	1.1
575.21368	1.1
593.11975	0.9
593.31641	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03436	2.7
59.01377	100.0
60.01702	0.7
61.98817	2.8
63.17577	0.6
68.90552	0.8
69.03451	1.3
71.01376	14.4
72.99313	1.1
73.02952	4.4
75.00864	2.7
79.76649	0.7
83.01377	5.3
85.02949	10.7
87.00882	6.1
89.02440	2.0
93.03466	1.8
95.01390	2.0
99.00874	2.7
101.02441	9.4
111.00832	1.1
113.02460	6.1
125.02421	1.8
129.01897	1.6
130.99812	0.7
133.50014	0.7
134.50806	0.8
137.02415	1.8
143.03526	1.4
147.04530	1.2
149.04607	0.8
149.06061	1.2
159.02838	1.0
161.04526	2.1
165.04044	6.1
166.75742	0.7
173.04488	3.0
173.05881	0.9
175.04028	0.8
175.07733	0.9
185.06105	0.8
191.01837	0.9
191.03415	0.9
191.05641	0.8
213.18582	2.2
224.01695	0.8
229.08829	0.9
240.04291	1.0
284.03320	5.9
299.05573	8.2
299.25821	1.9
300.05890	1.2
345.26349	1.0
345.30099	5.5
359.28104	1.1
419.26697	1.1
441.31516	0.8
475.04440	1.0
489.34280	69.9
490.34851	4.6
507.35349	25.9
508.35632	2.3
533.33099	2.7
549.36456	7.5
550.36615	1.2
593.25159	1.2
593.31281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18403	1.0
55.01855	1.1
57.01569	1.0
57.03445	2.6
59.01378	100.0
60.01656	1.2
61.91881	0.9
61.98834	14.9
69.03468	1.2
71.01377	15.0
72.99319	1.7
73.02948	3.1
75.00867	1.3
78.43165	1.1
78.95883	2.2
83.01398	3.9
85.02950	10.2
87.00874	14.2
89.02442	3.8
93.03464	1.9
95.01392	2.6
99.00885	2.4
101.02445	10.2
113.02461	9.2
119.05003	2.2
122.03720	2.1
123.04546	1.6
130.99860	3.1
135.04454	1.3
137.02434	2.2
145.02953	2.9
146.03725	1.4
147.04483	3.2
148.05249	1.2
149.04503	1.4
149.06067	4.1
152.99643	1.1
154.64801	1.1
159.03000	1.1
159.04451	3.2
161.04581	2.8
172.05222	1.5
173.04562	1.9
173.06029	1.7
175.03943	1.6
175.07547	2.6
185.06049	2.1
187.03871	1.3
187.07675	1.6
190.99802	1.4
191.03516	2.1
193.04951	1.5
195.06654	1.3
199.03937	1.2
200.04683	1.5
203.07138	2.0
206.02170	1.8
211.07660	1.0
211.13380	2.7
213.05547	1.8
214.06194	1.2
215.07088	2.6
216.09608	1.1
227.03522	1.1
229.08635	1.5
240.04247	1.4
255.02998	2.2
259.06119	1.8
270.01614	1.3
270.05264	1.5
271.13324	1.3
283.02530	1.3
284.03275	20.3
284.06226	1.1
285.03796	1.9
289.14288	2.3
295.13562	1.4
297.14960	2.3
299.01996	3.6
299.05527	21.2
300.02713	1.1
300.05981	2.0
301.14435	1.0
313.14368	1.5
315.15903	2.2
329.13754	2.0
345.29993	7.8
357.17056	2.0
389.19412	1.4
447.19540	1.1
460.17645	1.5
489.34311	52.2
490.34680	5.9
507.35413	14.4
508.35471	1.6
512.51593	1.2
533.33258	2.2
549.36432	3.0
561.23279	6.0
575.24542	4.3
583.71887	1.5
593.25659	16.0
594.26355	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	594.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53432	1.3
55.01863	2.1
57.03425	4.3
58.00574	3.2
59.01377	81.6
60.01698	3.5
61.98549	1.4
61.98828	20.7
62.57856	1.1
65.00306	3.9
65.37394	1.2
67.01862	2.2
69.03431	2.0
71.01381	38.8
71.53345	1.4
72.01700	1.2
72.99297	5.8
73.02571	1.8
73.02946	30.9
74.03245	3.0
75.00859	1.7
81.03447	1.9
83.01385	5.7
83.04999	2.4
85.02950	36.2
86.03254	4.1
87.00867	15.0
87.04478	3.6
89.02439	32.0
89.24247	1.1
93.02938	1.4
93.03445	14.0
94.03797	2.6
95.01357	2.0
96.57146	1.2
96.95954	2.4
97.02922	2.2
99.00864	4.0
101.02441	60.9
102.02743	4.6
103.04012	19.0
104.04305	1.6
107.01345	4.7
108.02132	1.9
109.02934	9.4
111.00798	2.4
111.04480	2.7
111.22040	1.1
113.02438	7.0
115.04003	6.9
119.03498	10.5
119.04961	2.8
120.01257	1.3
120.03792	1.6
121.02935	9.4
123.00837	1.8
123.04494	1.5
124.01595	3.9
125.02465	8.0
127.03930	3.3
129.01849	1.5
130.80441	1.1
131.03494	13.2
133.02902	1.6
134.03749	11.4
135.04144	2.1
137.02454	8.4
138.02715	1.2
139.00291	1.7
139.03986	1.6
143.03519	12.2
145.04970	5.2
147.02946	3.0
147.04440	2.4
149.02353	5.6
149.04599	1.6
149.05984	6.9
150.03104	4.0
150.06392	2.0
151.00357	17.3
151.03651	1.7
152.01183	9.1
153.01883	1.6
155.03400	3.5
161.02373	2.2
161.04506	2.2
163.06117	100.0
164.04697	2.2
164.06361	13.6
165.01920	15.5
165.05460	4.1
166.02188	4.3
166.05812	1.8
167.03386	1.6
173.03137	1.5
173.04541	28.8
174.04926	6.4
176.01118	1.3
178.02701	6.1
178.99854	10.9
179.03192	4.1
179.05534	1.7
180.04237	7.2
181.04634	1.6
191.01974	11.1
191.03529	2.5
191.05524	6.3
192.02194	3.1
193.01285	3.3
193.03401	1.4
193.05045	22.6
194.05414	8.5
195.06647	11.3
196.06802	5.2
205.07181	23.2
206.07510	1.4
208.03670	2.8
209.02971	11.6
210.03308	2.5
210.05109	2.4
213.01758	1.8
216.00508	2.0
223.06180	5.9
224.00220	3.3
224.06366	2.5
224.50665	1.2
225.07607	6.7
226.07922	4.6
235.07948	1.4
237.03947	2.1
243.02856	1.5
253.01424	2.2
254.02097	2.2
255.02808	3.7
265.09311	11.6
266.09415	1.6
267.06628	1.3
268.03558	1.4
269.00943	9.2
271.02286	4.3
271.05273	1.3
277.02200	1.3
284.03314	1.7
285.02734	1.8
285.52310	1.9
286.01050	2.9
290.51611	2.5
296.03055	1.9
297.03473	2.9
298.07669	2.5
299.01764	5.7
299.05383	4.2
299.52118	2.1
300.02527	10.4
300.05862	3.2
301.03510	5.7
301.06735	1.6
311.05371	2.6
312.05850	2.8
312.09933	1.3
313.07040	2.0
325.11154	3.3
326.07834	2.9
327.08093	4.8
330.06714	2.8
355.08023	5.7
356.06775	2.1
369.09753	9.2
370.06082	1.5
370.10049	13.5
371.11282	7.2
372.11749	9.3
385.09036	4.1
418.03125	1.8
419.03781	3.0
419.13263	5.5
420.13629	7.8
446.06598	1.4
446.56720	3.0
447.07571	13.7
447.57376	3.8
468.07605	1.5
475.12537	2.4
490.23370	1.6
528.10107	2.8
533.26019	11.0
534.19427	1.4
534.26379	13.7
535.23645	1.5
593.18073	3.6
594.11713	66.5
594.19153	7.4
594.62421	33.2
595.11932	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	593.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01378	2.1
59.33859	0.2
60.99297	0.8
61.98796	0.4
65.03973	0.3
67.01888	4.8
69.03454	1.0
69.23897	2.4
71.00993	0.5
71.01376	3.7
72.99332	0.2
75.00854	0.3
81.03454	0.9
83.05032	0.7
83.90529	0.3
85.02957	1.1
87.00879	1.0
88.98801	0.4
93.03454	26.6
94.03793	0.7
98.19775	0.5
101.02455	0.4
109.02950	1.0
111.00848	0.9
111.04531	3.9
113.02454	0.7
121.02937	0.8
122.03736	1.0
127.03976	0.4
135.03009	0.6
135.04538	0.5
137.02441	3.6
149.02435	3.8
149.04538	0.3
150.03233	6.0
151.00279	0.3
151.03978	0.3
151.73912	0.3
152.01144	0.7
155.03488	4.5
163.03966	0.4
164.04755	2.2
165.05551	6.3
173.04538	100.0
174.04860	2.2
179.07108	0.6
180.04211	0.6
190.99876	0.4
191.05650	0.6
193.01466	1.4
195.06596	3.9
196.07167	0.3
200.04817	0.5
205.03473	0.3
208.03767	2.9
211.03960	0.3
223.06107	9.2
227.01364	0.4
227.03482	4.0
228.04053	0.4
239.03470	0.4
240.04260	1.4
255.02968	6.7
256.03510	0.8
283.02432	1.1
284.03253	29.6
285.03836	3.3
295.02518	0.2
299.05588	24.4
300.05811	1.4
371.11371	0.8
419.13452	1.5
510.79886	0.3
593.14716	7.5
594.15186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61237	0.4
57.03451	0.9
59.01375	10.2
59.80642	0.4
61.98834	0.8
65.00336	0.8
67.01924	0.4
69.03448	0.5
69.18372	4.4
71.01382	5.1
72.99301	0.9
73.02934	1.1
75.00880	1.2
85.02941	4.0
87.00885	1.9
89.02435	3.1
91.01907	1.6
92.52201	0.4
93.03456	1.7
95.01403	0.6
99.00877	1.0
99.50347	0.5
101.02453	3.2
107.04991	0.6
108.02159	0.4
110.98439	0.4
111.00847	0.5
113.02465	1.8
119.01392	4.1
119.03462	0.7
119.05043	0.7
121.02943	2.8
123.04562	0.8
125.02442	0.9
133.02902	0.6
134.03728	1.4
135.02989	1.0
135.04480	2.0
137.02426	0.9
143.03569	0.4
145.02951	0.9
147.00882	5.3
147.04535	1.0
147.49619	0.4
149.02429	8.7
149.04443	0.5
149.06044	0.5
150.03096	0.6
152.01183	1.1
161.02396	1.0
161.06094	0.5
162.03177	0.5
163.04001	2.9
164.03500	0.6
164.04800	7.6
165.01950	1.1
165.04048	1.1
165.05441	0.5
166.99661	0.4
167.03409	0.5
169.05159	0.5
173.04546	1.2
173.06192	0.4
175.00352	25.8
175.03807	1.0
176.00713	0.5
177.01907	0.8
179.07166	1.1
189.01897	0.8
189.12819	1.2
190.02705	68.8
191.03214	2.8
191.05475	0.7
192.04349	0.6
193.01308	0.5
193.05165	1.1
201.05504	0.4
205.05046	67.2
206.05432	3.0
207.02873	0.7
208.03807	1.4
209.04515	1.6
209.06374	0.4
221.08270	0.7
223.06108	6.2
249.05843	0.5
251.05594	1.1
255.03033	0.7
265.07138	1.2
284.03296	4.2
285.03970	4.8
295.08194	0.6
299.02216	0.6
299.05557	5.3
300.02856	0.5
375.27051	0.5
484.11133	0.5
517.07617	1.6
533.32831	0.6
563.21100	1.0
578.23236	1.0
593.25861	100.0
594.26190	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	593.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
59.01374	10.3
61.98822	1.6
67.01882	4.6
69.03462	1.9
71.01378	6.9
71.53907	0.9
73.02953	1.8
75.00865	4.7
77.04359	0.8
78.57214	0.8
81.03450	2.3
83.05043	2.6
85.02944	11.6
87.00848	5.9
88.98809	1.1
89.02446	3.0
89.66974	0.9
93.03448	34.3
96.96024	1.2
97.02959	0.9
98.37738	1.0
99.00889	1.4
101.02448	1.9
109.02979	1.4
111.00869	1.8
111.04526	8.4
113.02454	2.4
115.00353	0.9
119.04996	1.2
121.02957	6.1
122.03722	2.8
123.04534	1.1
125.02414	1.8
127.03983	1.2
129.01924	2.4
133.02925	1.2
134.03711	5.4
135.02995	2.7
135.04456	2.4
137.02426	5.4
147.03070	1.8
147.04506	6.4
148.05307	2.3
149.02434	18.8
149.06084	3.6
150.03215	26.4
151.03862	1.8
152.01140	3.1
155.03490	7.9
162.03119	0.9
163.04005	3.2
164.04761	9.0
165.01921	5.2
165.04048	5.2
165.05513	29.9
166.02649	1.3
167.03467	2.4
169.05096	1.3
173.04527	100.0
174.03180	0.8
174.04898	1.7
175.03967	1.4
176.04721	2.3
178.02708	1.8
179.03445	1.8
179.07149	1.4
180.04298	7.1
191.00388	1.0
191.01958	5.0
191.05756	4.7
191.07039	5.2
193.01396	6.5
193.05022	9.4
194.05801	1.2
195.06606	26.4
208.03714	14.3
209.02850	4.5
217.01358	1.5
223.06079	47.0
224.06415	1.8
225.07594	2.1
227.03505	1.1
240.04193	1.4
282.05377	1.6
284.03214	16.3
297.07700	3.1
299.02103	1.8
299.05536	19.3
300.05948	1.5
301.07208	1.7
309.07590	2.2
311.05573	1.1
312.10049	3.1
327.12405	3.6
329.06766	6.5
329.10315	1.3
341.50912	0.9
357.13425	13.5
358.13663	1.1
359.07730	2.0
371.11401	5.1
383.07721	2.0
389.12341	2.1
419.13428	16.3
419.18973	1.8
420.13995	1.5
551.26953	1.4
563.17328	0.9
593.19073	15.2
593.27820	1.5
594.18585	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	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58851	0.4
53.59326	0.4
55.01875	1.3
57.03454	2.7
58.00573	0.7
59.01376	100.0
60.01733	0.6
67.01903	0.6
69.03452	1.2
69.17602	0.6
69.17995	4.6
71.01376	21.0
72.99308	2.0
73.02943	6.9
75.00880	1.7
78.95911	1.3
81.03442	0.6
83.01392	3.0
84.11008	0.4
85.02944	12.6
87.00871	12.3
89.02444	5.0
92.30193	0.5
93.03471	2.0
93.07105	2.3
95.01386	2.7
95.94863	0.6
96.95998	0.5
97.02949	1.1
97.06585	0.6
99.00881	4.5
101.02444	12.2
103.27675	0.5
111.00906	1.5
112.01635	0.7
113.02441	12.8
113.22918	0.5
119.03526	1.2
119.04993	1.1
121.02959	7.1
122.03758	3.2
123.04533	1.4
125.02486	1.7
129.01974	0.9
130.08731	0.5
130.99861	2.2
133.02931	0.6
135.04559	1.3
137.02451	1.5
143.03539	1.6
147.04507	2.7
148.05084	0.6
149.04610	1.3
149.06078	1.7
153.64940	0.5
159.03004	1.4
159.04462	0.9
160.01613	0.7
161.02467	0.5
161.04556	6.3
163.04027	1.3
164.04782	1.1
171.10202	0.6
172.05444	0.5
173.02524	0.5
173.04617	2.2
174.03233	0.8
175.03986	0.7
185.00900	0.6
188.04753	0.7
191.03479	0.6
191.05679	1.1
193.04984	1.0
193.12317	1.0
197.15526	0.7
208.03838	0.6
211.13445	1.6
213.18694	1.3
225.14972	1.1
227.62135	0.5
249.06059	1.0
254.04391	1.2
255.05038	0.5
292.68842	0.6
299.05585	1.1
303.35733	0.5
313.03568	1.5
313.14886	0.6
323.09415	0.7
341.23553	1.4
343.08356	2.2
343.24976	1.0
343.28726	1.6
353.10208	3.5
357.22717	2.5
375.23840	3.8
469.31683	0.7
487.32733	54.2
488.33102	4.7
505.33795	22.1
506.34488	1.7
529.21838	0.8
529.71875	0.7
547.34338	4.0
551.21692	0.8
573.21069	0.7
573.70758	1.1
581.72736	1.0
582.21326	4.2
582.71851	2.9
591.15314	1.1
591.30170	11.0
592.31128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	0.6
61.69894	0.2
70.83530	0.3
70.83852	0.3
89.02422	0.6
99.00848	0.2
101.02408	0.3
113.61128	0.2
132.02147	0.3
133.02908	0.6
145.57184	0.2
149.04549	0.2
163.00314	0.8
171.04335	0.2
183.04497	0.5
184.05235	0.3
190.99831	2.6
199.03989	0.6
200.04767	2.0
210.03188	0.5
211.03993	1.2
212.04735	0.6
227.03462	2.9
228.04257	3.1
229.04588	0.3
232.03813	0.2
238.02783	0.3
239.03447	1.5
240.04253	8.0
241.04573	0.3
255.02965	2.8
255.06552	0.3
256.03641	1.2
267.02939	0.2
283.02444	3.8
284.03229	96.2
285.03540	6.3
293.08774	0.5
298.04495	0.3
299.05573	100.0
300.05939	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65962	0.3
59.01375	5.5
61.98828	0.5
65.00328	0.4
69.03445	0.4
69.84090	0.7
69.84486	0.7
71.01374	6.2
73.02945	0.9
75.00883	0.6
81.03460	0.4
83.01400	0.6
85.02966	1.1
86.19704	0.3
87.00901	1.5
89.02441	8.7
93.03443	1.8
96.96027	0.5
97.02950	0.8
99.00864	1.6
99.01443	0.3
101.02448	2.0
102.72915	0.3
106.00623	0.4
108.02167	0.8
109.02961	0.5
111.00900	0.3
113.02438	1.2
115.04014	0.6
121.02950	1.0
123.04484	0.4
125.02444	4.1
131.03510	1.8
132.02164	3.5
133.02992	0.4
134.00079	0.3
134.03758	0.5
135.03081	0.4
136.98828	0.4
137.02463	0.3
141.03426	0.5
143.03621	0.3
143.05003	1.7
145.02954	1.0
147.04471	0.5
149.04538	1.9
149.05685	0.3
151.00406	0.5
152.01128	1.6
155.04987	1.4
160.98819	0.6
161.06094	0.4
161.99594	1.0
163.00362	2.4
163.04004	1.2
165.05438	0.5
167.04916	0.7
171.04521	1.0
173.04559	1.3
173.05948	0.5
174.03201	0.8
175.04012	3.3
176.04745	0.6
179.03510	0.3
180.04297	1.7
183.04469	2.4
184.05246	1.0
185.06133	0.3
187.04008	0.5
188.04788	0.7
189.05562	1.5
190.06351	4.3
190.99849	13.3
191.05606	1.3
191.07123	2.3
192.00224	0.3
193.05043	2.4
194.05809	1.1
195.04520	0.5
199.04004	2.6
200.04808	0.6
202.13808	0.3
203.07069	0.5
205.05177	0.3
205.08646	3.9
207.06601	1.2
208.07404	3.8
210.03369	0.6
211.04007	3.6
212.04665	0.5
213.01707	0.3
222.08884	0.6
227.03490	9.2
228.04112	1.5
233.06647	6.3
237.01903	0.4
239.03464	3.4
240.04233	5.6
241.04912	0.6
255.02972	7.6
256.03650	1.3
267.02948	2.1
269.04489	0.4
282.01575	0.4
283.02463	16.5
284.03238	77.6
285.03854	10.1
287.19843	0.3
293.08783	4.0
297.03995	1.1
298.04788	2.8
299.05585	100.0
300.05930	6.1
313.03513	9.4
313.07150	0.3
314.03809	0.5
341.02832	0.4
344.12430	0.8
359.14975	24.5
360.15375	1.7
389.16043	0.5
429.08832	0.3
475.08807	1.8
578.12714	1.1
592.64758	0.5
593.15027	39.0
594.15369	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63971	0.3
57.03455	0.6
59.01386	1.7
61.98847	0.7
63.02401	0.5
65.00339	0.4
67.01872	0.9
69.03476	0.6
69.36263	2.8
69.65093	0.3
81.09857	0.4
83.01370	0.6
83.05012	0.5
85.02947	3.0
87.00888	1.7
89.86934	0.4
91.08945	0.4
93.03448	11.3
93.04029	0.7
96.96023	0.5
99.00867	0.5
101.02478	0.6
107.01399	1.5
109.02959	0.5
111.04514	1.7
119.04970	0.4
121.02916	0.6
129.01944	0.5
132.02177	1.3
135.00906	1.3
137.02420	1.1
143.04929	0.4
147.04509	0.7
149.02428	1.6
150.03210	2.5
151.00386	2.9
155.03503	0.7
159.04532	0.6
163.00436	0.6
164.04758	0.7
165.01956	0.5
165.05533	2.6
171.04553	0.5
173.04527	17.7
178.99849	1.0
179.07086	0.4
183.04523	0.8
183.34244	0.4
185.06065	0.8
187.03963	1.1
191.01941	1.0
191.05630	1.1
193.01428	0.7
195.06665	1.9
199.03889	0.6
208.03725	1.0
209.02979	1.2
211.03990	1.6
213.05525	0.6
223.06082	4.3
227.03465	35.1
228.03802	2.0
229.05043	2.5
239.03458	1.3
240.04156	1.2
248.19711	0.4
255.02951	64.5
256.03497	6.4
257.04535	2.6
267.03134	0.4
283.02490	1.5
284.03229	100.0
285.03912	25.9
286.04373	1.2
299.02249	0.6
299.05588	8.3
327.05066	0.6
383.07498	0.6
419.13324	0.9
429.08029	0.9
461.75925	0.4
532.82715	0.4
540.00049	0.4
593.14960	80.1
594.15356	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.48293	1.1
56.58654	1.1
57.03447	1.7
58.00586	1.6
59.01379	100.0
61.43222	1.0
61.85762	1.1
69.03495	1.0
69.73113	6.4
71.01376	15.1
73.02946	5.5
75.00903	1.4
78.95918	2.6
83.01408	1.8
85.02948	10.9
87.00878	5.5
89.02431	5.6
95.01414	2.8
96.96023	1.4
99.00874	1.4
101.02437	10.6
113.02434	11.6
122.03743	2.0
125.02432	2.1
134.03773	1.6
143.03491	1.8
147.04536	2.2
161.04599	5.3
171.10193	1.4
172.64594	1.1
173.04626	1.2
191.05466	1.2
209.11885	2.3
211.13368	1.3
213.76268	1.2
216.62331	1.3
487.32745	50.2
488.32880	5.0
505.33798	20.7
506.33994	2.9
547.35449	5.5
582.21442	1.9
591.30237	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	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16539	0.7
52.16689	0.9
55.01867	1.4
57.03439	2.1
59.01379	100.0
61.98827	1.2
69.54816	3.7
69.55234	2.0
71.01383	15.8
72.99297	0.9
73.02957	5.2
78.95918	1.1
83.01374	2.8
85.02944	9.7
87.00879	5.9
89.02434	3.4
93.03458	1.2
93.07093	0.9
95.01394	2.5
95.08192	0.7
97.02934	1.1
99.00878	2.0
101.02439	11.7
113.02455	10.4
116.92807	0.8
119.03498	1.1
119.05087	0.8
121.02964	1.4
122.03709	2.5
125.02443	1.2
137.02370	1.4
143.03400	1.2
145.02950	0.9
147.04469	1.7
149.06061	1.1
161.04509	6.4
161.05652	1.0
175.03955	2.0
191.05423	0.9
211.13428	0.9
343.28503	4.6
369.26202	1.1
375.23633	2.3
387.27481	2.5
487.32748	48.1
488.33090	4.2
505.33826	13.6
506.34064	1.5
547.34644	3.2
591.33191	4.7
592.33081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03431	2.3
59.01377	100.0
61.98824	5.3
69.93455	3.0
71.01381	18.2
72.99286	1.2
73.02946	5.1
75.00889	0.9
78.47900	0.9
81.45854	1.0
83.01376	6.1
85.02948	10.1
87.00864	3.8
89.02433	3.5
93.03405	1.1
93.07075	2.5
95.01393	1.4
97.02964	1.3
98.20002	1.1
99.00856	2.0
101.02441	11.9
111.00892	1.4
113.02449	6.8
119.03486	1.0
125.02455	1.4
134.03661	1.6
137.02469	1.0
143.03433	1.5
147.04472	1.4
159.02901	1.6
160.01648	4.0
161.04515	5.0
175.03992	4.4
213.18550	2.9
233.13818	0.9
259.87769	0.9
343.28415	3.1
357.22644	3.9
357.26556	1.1
375.23700	6.6
395.08075	1.5
395.37112	0.8
413.08621	1.3
429.11942	1.5
469.31775	1.6
487.32745	65.7
488.33264	6.6
504.25998	1.0
505.33823	27.8
506.34195	2.3
529.33612	1.2
547.34937	4.6
591.17755	2.2
591.28015	6.8
592.28442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01379	41.3
61.98829	1.5
65.00317	1.2
67.01875	1.8
69.03463	2.9
69.55687	4.6
71.01379	16.9
72.99297	2.2
73.02940	15.8
74.19074	0.7
75.00870	1.5
81.03460	1.6
83.01385	2.3
83.05027	3.0
85.02950	21.1
86.00065	1.0
87.00870	7.5
87.04498	1.6
89.02445	13.2
93.03458	15.3
93.33333	0.8
96.96004	1.8
97.02984	1.1
98.20657	1.4
99.00878	1.6
101.02439	26.3
103.04014	8.9
108.02159	4.1
109.02951	3.2
111.00877	1.0
111.04513	8.5
113.02448	2.1
115.04033	4.0
117.03496	1.3
118.09834	0.7
119.03498	4.8
119.05018	1.8
121.02937	2.9
123.04514	2.7
124.01599	1.0
125.02426	3.7
127.04002	2.1
129.01918	2.7
131.03517	4.3
133.02974	1.7
134.03735	47.1
135.03055	0.8
135.04507	2.9
136.01677	0.9
137.02432	15.9
139.04086	1.8
143.03511	6.9
145.05063	3.2
146.03703	1.6
147.02940	1.6
147.04553	1.8
149.02452	4.8
149.06070	18.4
150.03271	4.7
150.06396	0.9
151.00339	1.2
151.04007	2.2
151.91264	0.7
152.01158	1.3
155.03477	8.4
159.04436	0.9
161.04549	1.8
163.03963	1.8
163.06119	44.5
164.04710	1.4
165.01924	56.7
165.05571	6.8
166.02321	1.7
167.03471	1.5
173.04549	41.1
173.89566	0.8
174.03264	1.9
174.04819	1.1
175.03897	1.0
175.07628	6.9
178.02702	26.1
179.03479	17.6
179.07069	1.0
180.04274	33.7
185.00917	0.8
191.00346	1.1
191.01967	7.1
191.05602	1.7
193.05042	100.0
194.05556	5.5
194.86348	0.9
195.02917	1.6
195.06610	51.3
196.06963	1.6
201.05437	1.3
203.03366	0.9
205.07156	9.0
208.03723	3.3
209.03033	9.3
209.06070	3.7
210.03447	1.3
210.05281	7.5
211.05887	1.0
219.06598	6.5
221.06030	1.2
223.06071	8.1
225.07669	42.8
226.07961	1.9
235.08038	1.0
237.05551	2.6
249.05443	1.1
253.04922	1.0
265.04996	4.6
265.09259	6.3
266.02432	0.9
269.00974	1.1
269.08118	3.3
284.03186	6.0
284.10489	1.0
296.03107	1.0
297.07651	11.0
299.05594	6.5
301.07156	1.3
311.01965	3.1
311.05438	1.2
312.10019	9.4
325.11157	2.4
326.08157	1.4
327.08786	1.2
329.06607	3.7
340.02164	1.5
341.06619	2.3
341.31763	0.8
343.11996	1.3
355.06750	2.4
356.09015	2.9
359.07684	1.3
369.09784	6.8
371.11343	51.3
372.11697	3.4
383.07431	1.3
387.10941	1.9
413.08640	1.6
419.13449	34.2
420.13699	2.1
447.06824	1.3
473.07120	2.4
489.23505	2.2
514.71942	0.8
533.25995	9.9
549.15552	1.0
575.13824	4.1
576.15009	0.9
593.19189	20.5
594.11572	8.5
594.62421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18116	0.8
57.03448	8.6
59.01381	7.6
61.98816	1.9
67.01895	4.7
69.03445	4.2
69.62285	5.8
71.01382	7.1
72.99294	1.0
73.02945	1.2
75.00861	8.2
81.03451	7.8
83.01385	4.5
83.04990	1.6
85.02958	9.3
86.87913	1.0
87.00875	4.3
88.98845	1.3
89.02422	1.9
93.03455	30.0
95.01411	1.0
95.05027	6.2
96.95970	1.1
97.02939	5.8
99.04504	6.9
101.02447	3.9
107.04984	2.0
109.02949	3.4
111.00912	2.4
111.04510	5.7
113.02431	3.4
119.05022	1.6
121.02943	3.5
122.03756	1.5
123.04513	7.1
125.02449	19.6
129.01947	2.8
133.02950	4.3
134.03719	4.2
135.03008	3.1
135.04495	2.7
137.02435	9.5
139.03999	1.7
145.02914	1.7
147.04570	2.5
149.02437	9.6
149.06081	4.5
150.03232	9.9
151.04005	2.6
152.01080	1.4
153.01923	2.3
155.03508	6.1
161.04561	5.1
163.04070	1.4
164.01126	1.0
164.04778	4.3
164.14488	0.9
165.01923	9.5
165.04031	11.2
165.05545	9.1
166.02708	6.6
167.03484	32.1
173.04547	67.6
173.05949	2.8
175.03951	2.4
176.01184	1.8
177.01967	1.2
177.05554	3.3
178.02756	1.8
179.03477	2.7
180.04256	4.2
181.05086	1.3
191.01959	2.9
191.05571	4.8
191.07135	1.2
193.01448	3.4
193.05038	7.1
194.02161	3.0
195.06593	10.8
197.04636	4.7
197.06027	1.0
201.05602	4.6
203.03490	3.2
206.07341	1.1
208.03751	7.0
209.02957	3.0
213.05592	1.2
215.07178	2.1
217.05177	1.2
221.00871	2.4
223.06096	16.8
223.85362	1.1
225.07603	1.4
229.08620	1.2
243.06566	3.9
245.04379	1.2
257.08093	2.2
259.06100	7.2
270.54971	1.1
271.06000	2.3
283.06042	2.7
284.03299	8.4
285.07629	3.6
287.05533	1.7
299.05539	9.2
301.07166	27.0
302.07346	1.1
311.05502	3.9
325.29190	1.0
329.06641	100.0
330.06836	6.9
331.08197	5.8
341.06613	2.3
357.13507	1.7
359.07697	30.0
359.12134	1.9
360.08041	1.3
371.11310	2.9
383.07657	1.3
413.08777	3.5
419.13498	4.9
431.09818	3.4
449.11066	1.2
456.14844	0.9
533.27106	1.5
575.13898	2.0
593.14124	17.6
594.15814	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	588.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22826	0.4
52.16327	0.5
59.01376	1.3
61.98821	0.6
67.49674	0.5
71.01384	2.2
71.53216	0.5
78.95866	0.5
85.02944	1.2
93.03471	1.0
96.96009	1.9
99.00899	0.5
103.05544	0.6
106.04276	0.6
107.05032	0.9
108.02151	2.6
109.02959	1.5
121.02975	1.2
121.06581	2.0
123.04505	1.1
124.01705	0.6
128.74611	0.6
130.04262	0.8
131.05017	1.7
134.03758	1.2
134.04697	1.0
137.02423	1.0
146.08191	4.8
147.04483	4.9
148.05293	5.9
149.06071	100.0
150.06378	3.3
163.04073	0.7
173.04581	0.9
191.03560	0.6
193.05037	38.8
194.05431	1.8
226.37250	0.5
237.04027	76.2
238.04364	3.1
278.12408	1.1
309.07764	0.8
324.78735	0.5
350.14526	13.7
351.14542	0.9
557.91565	0.5
588.14099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58990	6.0
69.59409	4.8
72.73055	1.7
90.06902	1.9
91.05504	1.9
93.03465	2.8
94.68655	1.6
96.95981	2.4
107.05027	5.5
117.03459	2.4
121.02955	4.0
131.05026	4.7
133.06595	47.3
134.03716	11.4
138.34442	1.9
165.52679	1.7
173.04562	3.6
177.05562	74.4
178.05975	4.1
191.05661	2.7
193.05005	18.4
221.04546	100.0
222.04895	3.4
223.69910	1.7
260.41104	1.8
367.10205	8.8
472.50046	1.9
529.55640	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	590.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55967	1.1
55.45602	1.0
59.01380	3.0
61.98832	5.0
62.35997	1.0
69.67915	5.4
71.01379	4.8
71.05004	1.3
85.02944	2.7
86.52804	1.0
87.00879	6.9
93.03455	1.8
96.95995	5.3
98.20646	1.1
99.04542	1.0
106.04281	1.5
107.05026	8.7
108.02163	2.2
113.02422	1.3
119.05025	1.5
121.02950	3.0
125.02444	1.3
133.06613	5.3
135.04463	1.9
146.08205	7.5
149.06065	16.2
173.04576	2.1
177.05550	16.9
179.03479	32.0
191.05589	2.5
193.05078	2.4
195.06596	2.0
239.05589	100.0
240.05914	2.9
278.12463	1.8
310.08154	1.6
350.14554	26.0
354.06949	1.6
424.17160	1.3
441.87656	1.1
590.19843	2.2
591.14746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.4
61.98831	77.8
64.71526	1.9
69.25282	16.7
71.01382	13.5
72.99290	5.1
73.17589	2.0
75.00865	30.9
78.00063	2.4
78.95925	3.2
83.17053	2.1
85.02957	11.8
87.00862	4.3
89.02456	2.6
95.01385	2.9
98.20688	4.9
99.00856	4.1
113.02463	19.2
118.10002	2.1
121.02962	5.9
249.06093	3.4
250.36539	2.1
262.08551	2.7
267.07117	3.9
277.21698	36.7
279.23239	33.3
280.23212	2.2
488.36975	2.7
516.30957	10.7
527.28595	100.0
528.28992	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	591.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50204	2.0
57.84953	2.1
59.01381	16.7
61.98816	2.8
70.00536	5.3
70.00959	3.5
71.01366	5.1
73.02950	3.7
74.91672	1.9
75.00876	2.8
76.91023	1.8
85.02940	4.6
87.00852	4.2
88.98798	5.9
89.02458	3.9
96.00398	2.0
96.96027	3.0
101.02462	3.9
103.00308	1.8
113.02427	3.0
149.04518	10.2
175.04036	2.5
186.03281	2.6
214.02650	2.5
227.03412	2.2
240.04323	2.2
242.01933	4.6
253.05074	3.7
255.02971	3.2
270.01752	12.4
283.06122	3.6
284.03275	5.3
298.01178	79.1
299.01532	4.6
313.03516	100.0
314.03827	6.3
327.05267	2.9
328.05856	64.2
329.06033	4.2
343.08212	95.5
344.08575	4.6
385.09198	7.6
390.42880	2.0
504.19098	6.4
504.69421	2.3
511.21799	2.0
531.31921	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	591.2607
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.99331	0.4
57.08625	0.3
66.26099	0.4
68.30217	0.4
69.96027	1.0
69.96416	0.8
186.22191	0.5
186.94247	0.4
231.82227	0.5
272.63736	0.5
353.22751	0.4
363.92227	0.5
396.17010	0.5
429.16605	0.5
443.22592	2.5
444.19156	0.9
445.19870	1.2
456.23221	1.2
457.20328	0.6
458.21011	0.9
459.21857	1.7
462.21133	0.5
471.25455	2.6
472.22580	1.7
473.23279	1.4
481.20081	0.5
482.21381	1.2
484.19913	0.5
485.19791	1.9
487.25974	2.7
496.22684	0.8
497.23370	4.0
499.21420	3.6
500.22189	11.5
501.22345	1.2
503.21207	0.5
504.21243	0.5
513.23010	0.8
514.23523	0.9
515.24487	100.0
516.24829	12.6
518.23132	1.0
559.15430	0.7
559.23413	5.4
560.24249	0.9
580.12347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
58.00602	2.2
59.01376	78.4
61.98808	0.8
67.01892	1.4
69.03430	1.2
69.33359	2.1
69.33777	5.2
71.01377	32.0
72.99310	3.6
73.02940	27.3
75.00845	1.1
83.01381	2.4
83.05034	1.6
85.02941	15.7
86.00088	1.4
87.00874	10.3
87.04522	2.9
88.98764	1.0
89.02440	22.6
93.03458	3.5
96.96017	1.3
99.00890	1.9
101.02438	49.8
103.04007	21.1
109.02915	1.1
111.04502	1.2
113.02444	6.3
115.04002	6.1
119.03495	11.1
119.05030	2.2
123.04542	0.9
125.02451	3.0
127.03991	1.7
129.01915	1.1
131.03488	8.5
134.03712	1.2
135.02951	1.1
143.03499	8.4
145.05074	5.2
147.04507	3.6
147.05714	0.9
149.04582	1.4
149.06052	3.1
161.02480	1.2
161.04588	1.4
163.03938	2.6
163.06116	100.0
164.04797	1.1
164.06390	1.1
173.04546	6.9
173.05838	1.2
175.04033	0.9
178.08652	1.0
179.05583	1.1
191.03847	1.1
191.05589	7.8
193.05049	2.1
199.13304	1.1
205.07158	13.7
223.04491	6.0
235.08234	2.2
237.03992	1.8
265.09244	8.7
271.06897	1.0
307.10202	1.5
325.11386	6.7
385.09277	2.9
417.11859	4.8
417.17676	2.7
531.24219	4.1
549.25433	2.4
591.13702	2.4
591.22571	7.1
618.85217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
55.42695	0.3
55.42994	0.3
57.03436	0.3
59.01375	41.3
61.98831	0.5
69.03463	0.4
71.01373	10.4
71.54379	0.5
72.99311	0.6
73.02937	7.8
75.00861	0.5
83.01389	1.0
85.02950	2.6
87.00874	4.0
89.02437	26.8
89.87033	0.3
93.03455	0.4
95.01374	0.6
99.00927	0.3
101.02434	4.4
103.00366	0.4
103.04002	2.2
113.02443	3.0
119.03490	2.0
125.02453	0.4
131.03500	7.8
135.03035	0.4
136.01598	0.4
143.03477	0.7
149.04541	100.0
150.04887	1.8
151.04001	0.9
161.02454	0.3
161.04526	1.7
163.03876	0.3
169.54980	0.3
173.04482	1.2
179.05550	1.2
181.05083	0.5
185.00792	0.4
191.05681	0.7
193.05070	0.3
255.03021	0.4
259.90326	0.3
284.03232	0.7
354.57938	0.3
361.04037	0.3
373.22223	0.5
387.14496	1.3
415.23575	1.8
457.24469	0.6
506.86710	0.4
573.12500	0.4
591.17316	0.5
591.26526	4.6
592.26569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93052	0.4
51.50480	0.3
55.01867	1.0
57.03442	1.0
58.00570	0.6
58.82482	0.4
59.01373	35.0
59.77535	0.3
60.01706	0.5
60.01994	0.4
61.89207	0.4
61.98816	0.9
64.53101	0.4
71.01371	11.7
72.99321	0.7
73.02940	14.4
74.03284	0.3
75.00867	0.7
75.15032	0.4
75.65736	0.4
83.01375	3.1
85.02924	1.9
87.00871	3.1
89.02437	25.3
93.03457	0.8
99.04516	0.6
101.02430	9.8
102.26360	0.3
103.00381	0.8
103.03996	1.2
113.02438	3.7
119.03501	1.5
121.02950	1.0
125.02459	0.7
126.87555	0.4
131.03497	8.4
135.02965	0.7
136.01607	2.4
137.02425	0.6
143.03499	1.5
145.02982	0.6
149.04539	100.0
150.04883	1.6
151.00339	0.6
151.03987	4.0
159.04512	2.4
161.04559	3.5
163.19496	0.4
165.04095	0.4
166.02751	2.4
173.04515	1.2
173.05930	0.8
175.03969	0.8
181.05048	2.4
191.05502	0.8
193.04984	0.8
205.05136	0.5
213.05537	0.5
221.06636	1.2
227.03409	0.5
241.05008	2.7
242.05875	0.7
253.04822	0.7
255.02963	0.6
256.07440	1.7
267.06540	0.5
268.07468	0.6
271.09753	2.0
284.03238	1.4
299.05673	0.7
357.09607	0.9
367.26221	0.4
369.13406	0.7
372.12067	0.5
373.22189	0.7
387.14465	6.3
388.14786	0.6
415.23367	1.5
429.17511	0.5
455.11530	0.5
457.16742	0.8
457.24438	0.5
473.15906	3.1
485.15958	1.9
517.14905	4.8
529.15045	2.3
547.15503	0.7
591.14935	4.9
591.26343	4.7
592.15039	1.1
592.26373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.3
61.98824	2.9
65.19628	0.3
69.36623	3.0
71.01379	0.7
87.00834	0.6
88.44257	0.4
96.95991	0.7
98.19896	0.6
108.48668	0.4
115.92076	1.0
116.92831	1.3
135.04564	0.4
141.07135	0.5
143.04993	0.8
143.08736	0.4
146.03711	1.2
149.06055	0.5
158.03766	0.8
159.04486	7.9
159.08099	0.6
160.05156	0.7
161.02449	0.5
161.06116	0.5
169.06529	1.8
171.04494	2.7
171.07994	0.4
172.05290	20.0
173.06030	3.1
174.03197	1.5
175.03938	0.7
178.62308	0.4
182.03726	0.5
183.04474	0.4
185.06096	2.6
186.03171	1.4
186.06856	3.5
187.04008	1.0
187.07634	18.2
188.04799	0.7
188.08018	0.8
189.05559	1.9
192.14101	0.4
196.05161	0.9
197.06065	2.9
199.03979	1.8
200.04768	12.1
201.05305	0.6
203.07111	1.6
204.04266	0.7
211.03809	0.4
213.05624	1.3
214.02716	1.5
214.06326	1.0
215.07111	100.0
216.07420	4.5
217.04987	0.8
227.03423	0.7
227.07069	0.4
228.04283	2.0
230.02226	1.2
231.06563	0.6
232.03679	0.6
232.07426	0.8
239.03543	0.8
240.04172	0.8
243.06592	11.6
244.06805	0.6
247.09715	0.8
255.02960	0.6
255.06654	2.8
259.05978	1.9
260.06744	0.9
268.03891	0.8
275.09412	1.7
280.03760	1.5
283.02545	0.4
284.03229	5.2
285.03912	0.7
291.19595	0.8
296.03137	0.9
298.04877	0.8
299.05585	5.3
300.06046	0.4
311.05597	0.7
324.02673	3.7
332.06879	0.5
339.05008	7.4
340.05374	0.4
349.03378	0.4
359.05472	0.5
360.06265	2.7
378.07736	0.7
393.10095	0.5
465.09717	1.9
493.09714	0.4
494.10052	0.9
497.12558	1.0
509.12262	0.5
522.09570	3.3
527.13763	0.6
537.11847	12.9
538.12189	1.0
555.13153	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	587.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08251	1.2
58.97139	1.0
59.01384	6.9
61.98830	10.4
63.14376	1.1
67.01901	1.8
69.03468	1.6
69.89031	4.0
71.01388	6.7
72.08226	1.0
75.00850	1.2
78.95906	1.8
81.03477	1.1
82.94547	1.0
83.05022	3.2
85.02939	7.5
86.08400	1.0
86.49844	1.0
87.00882	10.1
89.02431	1.4
93.03452	14.0
96.96008	14.1
96.96969	1.9
99.00898	1.8
101.02467	2.3
109.02982	3.1
110.06267	0.9
111.00888	1.4
111.04507	6.1
113.02419	2.5
114.68384	1.0
119.03537	1.1
122.03759	1.1
123.04505	2.1
127.04040	1.5
130.99852	1.3
133.40347	1.1
134.03743	1.1
135.04494	3.1
137.02449	3.7
145.02946	2.4
147.04497	2.7
149.06094	2.6
155.03500	6.8
159.04500	3.2
161.02423	3.3
163.03979	1.2
165.02103	1.4
173.04547	41.2
173.06046	2.8
174.03186	1.2
175.02516	1.7
175.04016	2.6
179.03429	1.9
187.03922	1.9
188.04753	4.7
189.01917	2.5
189.05238	1.1
191.03809	1.8
191.05602	29.0
193.05031	2.1
195.04671	1.3
199.03979	2.7
205.01341	2.2
211.03993	1.8
211.07716	1.6
219.08147	2.7
221.06026	2.3
222.06839	2.0
223.04085	1.6
224.04787	1.7
224.08307	1.2
225.05522	1.7
225.09177	3.9
227.03485	20.9
235.07611	3.8
237.05544	2.3
237.09227	7.5
238.06430	3.1
239.07082	2.1
240.04272	5.6
241.05116	1.2
248.04785	6.3
251.03401	2.2
251.07083	1.7
252.04054	2.1
253.05008	2.1
253.08652	6.3
263.07141	10.2
265.05072	24.9
266.05777	7.0
279.06598	3.1
281.08179	100.0
282.08524	4.2
307.06094	2.8
325.03262	1.7
325.07114	33.1
326.07578	2.0
327.54474	1.2
340.77328	1.1
351.04971	12.3
353.08566	2.4
369.06104	4.3
395.03876	6.6
413.18030	2.8
523.87250	1.5
543.11749	3.5
551.11786	1.2
569.09784	5.8
586.62988	2.2
587.10114	25.6
587.22882	3.6
588.10693	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	587.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30163	0.2
59.01379	1.0
61.98829	2.1
70.39395	0.6
71.01392	0.4
73.02905	0.2
87.00858	0.3
89.83413	0.2
115.05543	0.2
116.92856	0.5
119.05103	0.2
131.04977	0.4
135.02985	0.3
143.05002	0.9
146.03712	0.8
154.04272	0.3
157.06560	0.3
158.03746	0.6
159.04507	7.6
159.08165	0.4
160.05122	0.4
161.02399	0.6
161.06013	0.3
169.06587	1.5
171.04492	3.0
172.05289	21.6
173.06015	2.3
174.03189	1.4
175.00327	0.3
175.03944	0.5
175.07652	0.4
176.01219	0.2
182.03700	0.4
185.02513	0.3
185.06055	2.6
186.03246	1.5
186.06839	3.2
187.03996	0.8
187.07631	17.1
188.04698	0.5
188.07942	0.7
189.01958	0.2
189.05553	1.5
190.99846	0.4
191.07040	0.3
195.04544	0.2
196.05225	0.7
197.06071	2.9
198.03209	0.3
198.06761	0.5
199.04036	1.4
199.07561	0.4
200.04774	12.2
201.05356	0.8
203.03535	0.4
203.07123	1.6
204.04216	0.9
211.04022	0.4
213.05556	0.8
214.02724	1.4
214.06276	1.1
215.07109	100.0
216.07455	4.3
217.04924	0.5
224.04778	0.3
225.05547	0.3
226.06316	0.2
227.03473	0.8
227.07123	0.3
228.04276	1.3
230.02199	1.7
230.99257	0.2
231.06592	0.5
232.03732	0.9
232.07419	0.3
240.04276	1.0
242.05844	0.2
243.06590	8.0
244.07086	0.4
247.09766	1.1
248.08395	0.3
252.04190	0.3
255.02972	0.3
255.06609	2.2
259.06064	2.5
260.06757	0.6
265.05032	0.2
267.02896	0.4
268.03699	1.2
274.08530	0.3
275.03461	0.2
275.09290	0.9
279.02866	0.3
280.03711	1.2
283.02582	0.4
283.06003	0.6
284.03241	4.5
285.03571	0.5
293.04507	0.3
296.03183	1.0
297.03845	0.3
298.04837	0.5
299.02197	0.2
299.05573	4.8
303.06512	0.3
311.05615	0.5
323.02179	0.3
324.02731	3.4
325.03128	0.3
331.05960	0.3
332.06763	0.3
339.00946	0.5
339.05066	7.2
340.05478	0.5
341.06757	0.3
345.04047	0.3
349.03558	0.6
359.05652	0.3
360.06406	2.3
361.06848	0.4
375.08716	0.4
378.07571	0.6
379.04590	0.2
380.05734	0.3
388.05881	0.3
393.10370	0.5
399.80960	0.2
401.06458	0.2
437.10342	0.4
438.11121	0.2
465.09735	1.7
466.10309	0.5
489.07593	0.3
490.09024	0.2
494.09970	0.7
497.12424	1.4
509.12170	0.7
511.13898	0.3
512.11200	0.3
522.09454	2.8
526.08990	0.6
527.13647	0.6
537.11865	11.6
538.12036	1.4
555.12885	2.6
556.13068	0.4
587.14941	0.3
587.31647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39005	1.2
55.01883	1.6
57.03442	3.3
58.00581	2.0
59.01379	55.9
61.98828	25.5
65.79234	1.1
69.03446	3.8
71.01378	34.8
71.08868	2.1
71.09200	1.4
72.99291	2.9
73.02930	5.6
75.00878	2.5
78.95898	1.8
83.01378	3.1
85.02950	10.7
87.00880	55.8
89.02444	34.1
93.03476	2.3
95.01385	1.9
96.95996	1.3
97.06577	1.6
99.00881	2.2
101.02440	22.6
108.02151	3.6
111.08138	4.8
113.02448	18.4
116.92873	2.5
117.03449	8.9
119.03491	11.5
119.05029	3.6
121.02930	5.4
122.03702	2.5
123.04501	5.7
125.02430	2.6
127.36245	1.3
127.89919	1.1
129.01979	2.1
130.99878	7.3
131.03479	2.4
131.07141	2.1
133.02943	3.4
134.03680	2.6
135.04488	2.6
137.02443	3.4
137.06039	1.3
142.00224	1.2
143.03505	2.7
145.02942	44.3
146.03749	8.2
147.04526	12.8
148.05286	1.4
149.02440	2.2
149.04538	1.4
149.06042	4.0
150.03145	1.6
150.52248	1.3
155.07080	1.5
159.04526	1.7
161.02452	39.8
161.04445	6.0
162.03229	44.8
163.04028	14.8
163.11209	1.2
164.04617	2.1
165.04172	1.5
165.05530	5.7
165.12849	46.7
173.04526	4.7
175.03978	1.8
177.05537	14.5
179.05629	19.2
180.04280	13.3
183.13878	70.5
184.14171	2.1
185.00865	2.0
191.03503	1.5
191.05505	1.7
193.04993	2.5
195.06599	29.1
196.06976	1.3
197.15466	9.4
199.04164	1.4
207.13931	4.3
209.11772	7.2
219.02861	2.5
219.06435	2.8
225.05489	1.9
225.14995	3.7
227.12865	55.6
228.13168	1.8
239.07202	1.7
241.04987	4.6
241.08672	1.4
241.14467	1.9
242.05693	1.5
249.05771	1.6
250.06325	2.2
251.07144	1.8
251.12888	8.5
254.04150	1.4
255.02718	1.8
267.06537	6.8
268.07269	4.4
269.08060	3.2
269.13849	4.7
271.06415	1.3
275.06970	1.4
283.06039	1.6
285.07742	2.3
293.08142	2.6
294.08951	2.1
299.14948	1.8
300.06277	2.4
311.09076	3.2
312.06454	2.4
329.16040	8.7
339.10742	2.1
343.10068	3.1
357.11911	67.8
358.12198	4.6
365.13354	1.6
375.12888	9.3
389.18137	5.1
442.62256	1.8
443.06201	2.4
444.06754	8.0
461.19833	1.8
470.04779	2.2
476.05539	1.7
488.06125	8.8
489.06335	2.1
497.14209	1.8
523.12970	1.7
541.13385	1.7
567.11578	7.6
567.24463	56.0
568.24872	5.6
569.10339	1.4
585.11987	4.1
585.25439	100.0
586.25775	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	585.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10275	1.1
50.54903	1.1
54.11604	0.9
59.01381	3.3
61.17913	1.1
69.30056	9.7
71.01379	4.4
73.02943	3.6
74.84092	1.0
81.16344	1.0
85.02942	2.9
87.00343	2.0
87.00876	35.7
88.98812	1.2
89.02441	2.0
93.03448	4.9
95.05028	1.2
96.96009	8.7
96.96973	1.4
97.84564	1.0
98.20601	2.2
98.95581	3.9
98.96455	1.1
99.00874	2.6
101.02425	6.4
108.02163	2.0
109.02959	2.3
110.00067	5.4
111.00882	1.7
112.66903	1.2
112.98828	2.3
113.02439	2.0
119.05013	2.7
121.02950	17.3
122.03728	4.7
123.04523	100.0
124.04845	3.5
125.02454	2.9
130.99849	3.7
134.03786	1.5
135.04454	2.3
137.02425	3.3
137.99570	3.4
139.00409	5.3
140.01083	2.3
145.01405	3.5
145.02956	1.8
146.03784	1.6
147.00919	1.2
147.04515	8.8
148.05330	1.5
149.02438	3.3
149.06076	32.8
150.03244	7.0
151.00340	2.2
151.03969	3.2
152.01140	1.5
153.01933	47.5
154.02713	6.3
155.03476	4.4
163.04008	6.2
164.04677	1.2
165.04161	2.1
165.05553	32.6
166.02716	2.1
167.03470	3.2
168.04286	6.5
173.04526	1.6
174.03185	1.6
175.03992	48.2
176.04269	2.8
177.01894	5.8
181.05026	4.3
191.03481	4.0
191.05568	1.4
193.03369	1.8
193.05045	28.4
195.01187	1.9
195.02982	26.4
195.06583	1.4
197.04613	2.0
201.67447	1.0
203.01500	1.1
210.03944	1.1
219.02965	20.2
234.06599	1.1
235.06113	1.3
237.04019	75.4
238.04350	3.0
241.04993	1.4
251.05508	1.2
254.04314	3.8
255.05084	77.1
256.05469	2.6
267.06836	1.3
269.06619	12.1
281.08588	1.6
291.06491	1.6
293.08203	1.6
294.08942	1.3
301.64008	1.2
311.07559	1.8
317.08633	1.9
344.01086	1.2
365.13873	1.8
423.09320	56.9
424.09769	3.2
437.14270	2.0
479.13217	1.5
497.14011	1.2
541.13965	1.7
567.11212	3.7
585.14532	56.5
585.23065	2.1
586.14771	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	585.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31180	1.2
59.01374	8.4
61.98832	6.6
69.92299	1.2
71.01373	5.1
73.02940	3.7
75.00871	1.3
83.36594	1.1
85.02940	4.3
87.00873	85.9
89.02428	3.4
93.03450	4.7
96.96024	3.1
99.00851	2.2
101.02430	13.7
109.02931	2.6
110.00131	6.7
112.98798	1.9
113.02435	4.1
119.03483	1.4
119.05019	2.9
121.02936	15.2
122.03790	6.9
123.04518	87.1
124.04803	2.9
125.02425	7.3
130.99857	28.1
134.03679	1.6
135.04488	1.6
137.02414	3.4
137.99573	5.8
139.00404	7.0
139.03934	1.7
140.01138	4.5
145.01387	5.2
145.02933	1.9
147.04504	11.0
148.05305	2.6
149.02422	4.7
149.04913	1.7
149.06081	24.7
150.03233	7.0
151.03976	2.4
152.01154	2.0
153.01930	72.9
154.02730	7.7
155.03468	5.7
155.60399	1.2
161.05972	1.3
163.03984	7.6
165.04163	1.8
165.05560	30.3
166.05014	3.0
167.03444	2.7
168.04247	5.6
169.97292	1.3
173.04503	1.8
173.05998	1.5
174.03148	2.5
175.03992	54.5
177.01888	3.9
181.05055	3.2
185.02330	1.3
191.03448	5.2
191.05460	1.7
193.05051	22.9
195.02969	16.5
195.06601	2.1
207.02898	2.1
209.04529	4.0
210.04097	1.3
219.02956	22.7
223.06030	1.7
237.04022	88.1
238.04356	4.1
240.04289	1.3
241.05122	1.7
247.42039	1.2
253.03366	2.8
254.04291	35.5
255.05038	23.6
265.05066	1.6
269.06628	18.9
307.09518	1.7
313.41537	1.2
317.08514	2.2
333.59970	1.3
347.13034	1.6
365.13861	4.2
391.15652	1.9
423.09308	57.6
424.09650	3.2
460.10843	2.7
461.12091	1.6
479.13153	2.6
497.14236	3.6
525.12225	1.5
535.93494	1.5
541.13660	6.2
567.11517	4.2
585.14484	100.0
586.14539	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.7
57.03438	1.4
59.01384	6.5
59.12172	1.0
59.57434	0.9
61.98822	3.2
69.41700	2.0
69.42109	5.4
71.01376	5.4
73.02942	2.3
74.66872	1.0
75.00872	2.2
85.02922	4.6
87.00874	32.2
88.98791	1.9
89.02440	2.5
93.03446	6.3
96.95984	2.8
97.94783	1.1
99.00858	1.8
101.02429	7.8
108.02162	2.1
109.02948	2.2
110.00093	4.5
110.04190	1.3
111.04491	1.2
113.02416	3.5
119.05070	2.4
121.02966	16.9
122.03731	3.4
123.00803	1.4
123.04530	84.0
124.01675	1.3
124.04845	2.0
125.02451	5.9
130.99832	3.3
134.03696	1.9
135.04536	1.8
137.02444	1.8
137.99556	3.2
139.00401	5.3
140.01102	2.5
145.01399	1.9
145.02892	1.8
147.04514	7.6
149.02454	2.9
149.06085	29.8
150.03209	6.6
151.00339	1.7
151.03993	2.5
153.01942	41.5
154.02646	4.3
155.03439	3.9
161.02457	1.7
163.04024	5.6
164.04709	1.3
165.05573	31.9
166.02696	2.8
167.03456	3.1
168.04301	8.6
169.04997	1.3
173.04581	2.9
174.03197	1.4
175.03993	57.1
176.04367	1.5
177.01875	4.7
179.03458	1.4
181.05038	6.3
191.03407	3.0
191.05467	1.3
193.03345	2.1
193.05042	27.9
195.02971	16.1
195.06551	1.4
198.24924	1.2
207.02780	1.6
209.04568	2.5
211.05997	2.0
218.92317	1.2
219.00899	1.8
219.02966	27.2
237.04025	100.0
238.04317	5.1
245.78922	1.1
246.42000	1.3
251.05525	1.2
254.04330	3.2
255.05084	48.1
256.05243	1.7
266.05252	1.2
267.06839	1.9
268.07263	1.7
269.06641	9.0
279.06619	2.7
365.14008	1.9
398.74438	1.2
423.09268	39.9
424.09509	3.8
437.14417	6.4
497.14651	1.5
541.13287	2.7
567.11438	2.7
585.14490	73.6
585.21906	2.7
586.14587	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	585.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39428	1.2
59.01371	6.6
61.98825	45.2
70.00425	3.7
71.01373	3.9
75.00850	1.2
76.69247	1.1
85.02942	2.3
87.00869	100.0
88.01215	1.5
93.03488	1.6
98.20557	1.4
102.13739	1.3
108.02197	1.2
112.98761	2.6
113.02460	1.8
117.03447	1.4
119.05027	2.5
122.03713	1.7
123.04533	5.1
127.00290	1.0
129.03693	1.0
130.99861	8.1
137.02477	1.8
137.72430	1.2
145.02927	4.4
146.03763	2.2
147.04498	14.1
148.05289	1.8
149.06079	23.7
156.58443	1.2
159.04535	1.6
160.01692	1.3
161.02432	2.4
165.05544	2.2
173.04495	1.9
174.03261	1.7
175.03981	22.0
177.01869	2.1
185.02364	1.1
187.03912	1.6
189.05684	1.0
190.45480	1.3
191.03537	1.3
193.05060	10.8
197.05898	1.7
201.05569	1.9
209.06055	1.9
211.03854	1.3
211.07564	2.9
212.04761	2.2
212.08453	1.6
215.07002	1.6
217.01434	3.1
218.02217	1.5
219.02966	23.1
220.35831	1.2
221.05992	1.4
222.06834	1.5
223.07593	4.2
225.05571	4.2
226.06310	1.2
227.03444	4.5
237.03947	19.5
238.06279	1.9
239.07141	11.2
240.04237	3.1
241.05058	9.1
241.08661	3.8
242.05670	1.9
248.04721	1.7
249.05566	4.6
250.06238	3.3
251.03473	1.2
251.07089	4.8
252.07906	3.5
253.05132	8.2
254.05710	4.2
255.04828	1.9
255.06938	2.4
257.04572	1.5
259.09814	1.3
265.05005	9.1
265.08286	1.5
266.05734	4.6
267.06589	36.0
267.09476	2.3
268.07303	17.2
269.08136	15.1
270.08792	1.3
276.04138	2.2
277.04977	2.9
279.06616	3.7
281.04520	3.8
283.06076	2.9
284.03452	1.4
284.06537	1.2
285.03931	1.3
291.06531	3.3
292.07367	2.5
293.04535	3.6
293.08185	7.0
294.05276	6.1
294.08957	4.1
295.06000	3.8
297.07474	2.4
298.04767	1.5
299.05652	2.3
300.06311	2.8
304.27994	1.4
309.07648	2.0
311.05560	3.2
311.09213	10.4
312.06357	7.2
312.09879	2.9
323.05444	1.7
325.03464	3.3
326.70523	1.3
329.06674	2.6
337.03525	2.4
337.07147	2.5
338.04269	12.5
339.04962	1.9
356.05261	1.4
364.05859	1.2
365.14264	1.2
370.03278	3.0
381.06067	2.1
382.06866	1.9
383.03769	2.3
400.08163	1.4
407.04044	1.6
426.05774	1.6
443.06134	6.1
444.06891	19.1
459.05637	1.2
469.03998	3.1
470.04617	8.6
476.05893	3.4
488.05841	11.4
489.06519	1.3
497.14505	1.4
507.09842	1.4
524.35095	1.7
541.13422	11.2
549.10071	2.1
567.11377	72.2
568.11584	7.1
585.12488	38.3
586.12561	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	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70953	0.2
55.09853	0.2
56.15540	0.2
59.01371	0.8
61.98828	100.0
69.03470	0.2
71.01385	0.5
73.55859	0.1
75.00891	0.2
81.44893	0.2
83.73445	0.2
85.02962	0.5
87.00878	3.6
88.49753	0.2
93.03486	0.3
98.20663	0.3
108.02170	0.3
113.02475	0.2
119.05032	0.3
121.02907	0.2
123.04536	0.7
126.66690	0.2
130.99886	0.3
133.03067	0.2
137.02466	0.2
145.02980	0.7
146.03766	0.8
147.04520	1.6
148.05280	0.3
149.06079	2.6
151.23984	0.2
159.04581	0.3
161.02480	0.2
163.03978	0.3
165.05516	0.4
173.04602	0.4
174.03201	0.3
175.03992	2.5
177.01913	0.4
188.04787	0.2
189.05740	0.2
191.03531	0.3
191.05777	0.2
192.04204	0.3
193.05049	1.2
211.07639	0.2
217.01466	0.4
218.02231	0.2
219.02951	1.8
223.07637	0.4
225.05589	0.4
227.03571	0.6
234.01776	0.2
237.03963	2.2
239.07256	0.5
241.05161	0.4
241.08751	0.4
248.39737	0.2
249.05856	0.3
253.05190	0.5
255.02910	0.5
255.05092	0.5
265.05145	0.4
267.06589	1.1
268.07504	0.6
277.05109	0.3
279.06781	0.3
283.02808	0.2
284.03360	0.8
285.03876	0.4
285.22321	0.2
291.06622	0.3
293.08194	0.4
295.06137	0.3
299.05646	0.3
310.08530	0.2
311.09198	0.3
338.04181	0.3
397.09467	0.4
470.05276	0.3
497.14441	0.4
524.34967	0.3
541.13861	0.7
567.11438	3.2
584.11816	0.2
585.12433	2.4
585.21545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44405	1.0
59.01383	6.6
61.98827	26.7
66.35720	0.8
67.43458	1.0
71.01371	2.8
73.02980	1.1
75.00868	1.0
85.02944	1.7
87.00873	100.0
89.02446	1.3
93.03447	1.2
99.00854	1.3
101.02413	1.4
108.02215	1.1
113.02425	1.2
119.05000	0.9
121.02938	3.8
122.03723	1.4
123.04471	1.5
130.99846	10.1
137.02415	1.3
143.03554	0.9
145.02917	2.1
147.04550	1.6
148.60512	0.9
149.06071	2.3
163.04039	1.4
165.05530	1.8
173.04628	1.6
175.04108	1.2
185.02490	1.1
187.03911	1.5
193.05000	1.2
197.06140	1.3
209.06161	1.1
211.07599	1.1
212.08318	1.4
219.02995	1.5
221.05928	1.1
222.06903	1.9
223.07576	2.0
225.05496	3.4
227.03526	2.3
229.01559	1.2
229.52266	1.2
238.06447	1.6
239.07158	7.8
240.04311	2.4
241.05115	9.2
241.08731	1.3
242.02115	1.2
242.05667	1.8
249.05548	3.3
250.06238	2.6
251.07109	3.2
252.07758	2.3
253.05128	6.2
254.05881	1.7
255.06532	4.0
257.04633	1.7
265.05035	7.3
265.08530	1.7
266.05756	4.2
267.06592	33.4
268.07358	17.1
269.05078	1.8
269.08154	15.1
270.08618	1.0
271.06018	1.5
276.04300	1.5
279.06512	2.3
280.03766	1.2
281.04425	3.2
282.05292	2.0
283.06055	3.5
284.03268	1.8
285.03809	1.2
292.07184	1.1
293.04584	4.1
293.08206	3.1
293.61694	1.1
294.05283	5.0
294.08847	2.3
295.05978	1.8
297.07578	2.3
298.04865	1.6
299.05341	1.5
300.06427	2.9
309.07706	2.0
311.05493	2.6
311.09052	10.7
312.06381	6.3
312.09879	2.5
325.03360	1.6
338.04211	15.2
338.07852	2.0
339.05051	1.3
344.05219	2.1
356.05270	2.3
364.05820	1.7
370.03094	5.7
381.06012	1.1
382.06885	2.8
383.04065	2.2
388.04282	1.6
400.07898	3.8
435.10031	1.2
443.06073	7.6
444.06949	19.7
445.07117	1.4
459.05496	2.1
465.60074	1.3
469.04141	1.6
470.04904	10.7
470.15417	1.0
476.06030	3.6
488.05957	11.2
489.06393	1.6
497.14508	5.2
526.50214	0.9
541.13409	4.5
567.11450	28.7
568.11615	3.2
585.12537	17.3
585.22632	1.7
586.13824	1.3
593.90784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.8
60.88561	1.1
61.98829	44.5
65.11363	1.0
65.47401	1.2
69.37736	7.9
69.38175	1.4
69.38316	1.1
71.01366	1.8
79.85802	1.0
85.02957	1.8
85.14655	0.9
87.00876	100.0
89.02454	1.2
93.03475	1.6
96.95991	1.3
99.00925	1.1
100.84480	1.1
105.82467	1.1
108.02177	2.6
109.02914	1.9
112.57133	1.1
112.98757	2.3
117.03347	1.1
119.05003	2.0
121.02952	1.5
123.04535	6.4
129.03450	1.2
130.99873	8.8
137.02412	2.4
145.02963	7.0
146.03732	7.7
147.04532	10.8
149.06044	8.7
157.84206	1.1
161.02431	1.6
163.03905	1.4
165.01999	1.4
165.05598	2.0
173.04593	2.8
173.06082	1.5
175.03969	7.2
185.02412	1.5
187.04033	1.4
189.01842	2.2
190.02794	1.3
191.05554	2.6
193.05003	6.1
195.06570	1.3
195.08133	1.3
197.06145	2.2
201.05547	1.6
209.06012	2.2
210.06741	1.7
211.03934	1.5
211.07565	3.0
212.04660	2.0
212.08369	1.3
213.05356	1.2
215.40205	1.0
219.02943	6.4
221.06125	2.6
222.06715	2.8
223.07599	4.7
224.08347	1.5
225.05513	5.6
227.03470	3.1
229.04938	1.9
230.68956	1.0
234.01648	3.4
235.02356	1.5
237.03656	6.1
238.06316	2.9
239.07108	11.3
240.04248	4.0
240.07697	1.8
241.05009	10.8
241.08754	1.9
242.02122	1.5
242.05859	2.8
248.04877	1.4
249.05611	6.6
250.06290	3.6
251.03633	1.5
251.07083	7.4
252.04181	1.4
252.07896	2.4
253.05090	11.2
254.05998	1.7
255.05008	3.3
255.07076	1.9
257.04495	1.5
265.05002	9.0
265.08569	1.9
266.05823	5.6
266.92194	1.1
267.06570	40.8
268.04639	2.1
268.07352	19.9
269.05066	1.8
269.08102	12.0
275.07123	2.5
276.04111	1.3
277.04965	3.8
278.05673	1.9
279.06580	6.0
281.04572	2.8
282.05182	2.5
283.06067	4.3
284.03262	2.3
284.06448	1.5
291.06635	2.0
292.07220	2.7
293.04520	4.4
293.08145	9.0
294.05267	7.7
294.08899	4.7
295.06009	4.0
295.09308	1.4
296.06876	1.7
299.05704	1.8
300.06241	2.6
309.07660	2.7
310.08197	2.0
311.05640	2.6
311.09146	12.3
312.06284	7.3
312.09897	3.5
319.05978	2.1
320.06790	1.5
325.03476	2.8
337.03381	3.1
337.07285	4.1
338.04257	15.9
338.07974	4.0
338.11972	1.5
339.04880	2.3
344.05399	1.2
364.05713	2.6
365.13760	1.5
370.03290	4.2
382.06763	3.2
408.04608	2.6
426.06393	1.8
443.06174	5.2
444.06897	13.1
469.03677	4.2
470.04669	11.1
488.05731	3.4
497.14511	3.8
505.11261	1.8
508.26285	1.3
541.13458	14.6
542.13202	1.8
549.10260	1.6
567.11414	81.2
568.11615	9.4
585.12500	32.9
585.22412	3.7
586.12720	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	583.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84879	2.3
59.01372	15.7
61.98829	32.8
71.01385	7.4
72.99313	3.1
73.02931	3.0
84.99168	2.3
85.02962	8.9
87.00874	100.0
89.02496	2.3
93.03460	3.3
98.20682	4.7
99.00844	2.9
101.02437	2.9
109.02906	2.8
111.00880	2.8
113.02463	3.3
119.05009	8.3
123.04516	8.7
130.99896	4.1
135.04546	7.1
137.02509	2.8
145.02940	4.1
147.04541	5.1
148.05357	3.1
149.06065	7.6
158.03825	2.4
159.04518	4.3
161.02440	4.9
161.06026	2.7
162.03302	2.5
163.03963	13.6
165.05609	4.2
171.08258	3.2
173.04587	5.4
173.06001	4.2
175.04045	3.2
187.03981	6.8
187.07635	2.6
189.01921	6.0
189.05624	3.9
211.07686	2.4
213.05655	3.6
224.04866	2.5
225.05521	4.6
227.03551	8.3
227.64754	2.6
234.06999	3.1
235.07628	6.6
238.06172	3.3
239.07077	5.4
249.05602	4.2
249.09386	3.5
250.06355	2.9
253.05025	4.1
253.08679	4.2
255.03027	10.1
261.05606	2.7
262.06378	2.9
263.07205	15.9
264.04431	3.7
264.07578	3.0
265.05042	6.5
266.05811	4.5
267.06641	4.5
268.03842	3.9
276.07758	4.2
277.05045	5.4
277.08661	6.1
278.05875	5.1
278.09564	2.7
279.06464	8.0
281.08234	8.8
284.03284	11.2
285.03879	3.1
287.07175	4.9
289.08524	3.3
290.05801	5.2
291.06711	15.4
292.03986	2.3
292.07239	5.7
293.08145	2.8
294.05481	3.0
294.08670	2.9
295.06161	4.1
295.09573	5.7
296.10284	2.7
301.08682	4.4
302.09387	4.2
303.10309	6.1
305.07861	5.3
306.05463	2.7
306.08817	4.0
307.06342	5.9
307.09631	3.0
307.13199	3.0
308.07068	2.6
309.07666	14.4
310.08444	5.7
311.09430	3.8
315.06689	3.0
316.07333	3.1
317.08408	3.0
317.11862	9.4
318.05112	3.5
319.06082	4.4
319.09760	5.6
321.07516	4.6
321.11163	4.8
322.08282	4.9
323.09125	3.4
324.09991	7.8
326.57150	2.6
327.10223	3.1
330.08945	4.2
333.07791	6.2
334.08447	5.3
335.12805	19.2
345.11298	15.6
347.09256	6.7
348.09940	4.7
353.10483	5.5
354.07690	3.4
356.09106	12.4
361.14566	4.0
363.12350	27.6
387.12296	6.7
389.14142	11.7
405.13370	10.7
407.10590	5.5
407.15646	18.5
415.11874	5.1
433.13156	15.6
435.10706	10.1
449.12402	3.6
451.14383	17.5
455.09940	3.5
456.10428	2.7
459.10968	6.6
467.13913	4.0
477.11923	15.4
479.09872	14.0
495.12997	27.1
503.09845	10.7
521.10931	15.0
523.34375	4.1
539.11835	66.6
540.12286	9.8
547.09314	3.8
565.09998	16.4
565.17743	3.3
583.10760	39.7
583.19781	4.6
584.11224	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3482
Annotation	Terragine E
Peak:m/z	Relative Intensity
55.01887	0.4
57.03439	2.9
58.00573	0.7
59.01378	17.4
61.98821	1.6
69.03446	1.6
69.77114	1.9
71.01379	12.3
71.05025	1.0
72.99314	1.0
73.02959	1.3
75.00890	0.4
79.82396	0.4
81.03487	0.5
83.01373	0.9
83.05013	0.7
85.02954	2.7
86.60584	0.4
87.00863	2.1
89.02438	7.7
90.21330	0.4
91.23866	0.5
93.03512	0.6
95.01392	0.8
95.05062	0.5
97.06588	1.1
99.00833	0.7
101.02449	5.7
106.11225	0.4
107.12254	0.4
109.06594	0.7
109.39299	0.4
109.44070	0.4
111.08157	7.6
113.02458	3.3
119.03493	2.1
125.50310	0.4
130.99863	0.7
149.06151	0.4
153.24707	0.4
165.12836	54.1
166.13200	1.7
167.14400	1.1
181.12357	1.4
183.13884	44.3
184.14281	1.8
188.13866	0.4
191.10756	1.5
195.13918	0.7
197.15457	12.9
198.15942	0.6
207.13889	1.4
209.11795	5.1
225.14915	2.7
227.12856	4.5
241.14583	0.9
284.02991	0.4
574.21472	0.6
583.34827	100.0
584.35217	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	584.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.1
57.99778	0.1
59.01378	1.0
61.98828	100.0
71.01394	0.6
71.69429	0.1
73.02921	0.1
83.01418	0.1
85.02963	0.4
87.00874	2.7
89.02448	0.2
93.03437	0.2
99.00918	0.2
101.02445	0.4
113.02449	0.2
119.03542	0.1
119.05003	0.2
121.02853	0.1
123.04559	0.5
130.99902	0.4
134.03748	0.1
137.02452	0.4
145.02991	0.5
146.03772	0.7
147.04578	0.8
149.06068	1.0
150.03210	0.1
156.12469	0.1
159.04456	0.2
160.01668	0.2
161.02475	0.1
163.04047	0.2
165.05609	0.3
173.04527	0.4
173.05913	0.1
175.03996	0.9
176.04283	0.1
187.07672	0.2
189.01891	0.2
189.05527	0.3
190.02719	0.2
191.03545	0.3
191.05579	0.2
193.05142	0.5
195.02905	0.1
201.05635	0.4
217.04964	0.2
217.08855	0.1
219.03003	0.3
220.72375	0.1
223.07686	0.2
225.05637	0.2
227.03555	0.3
227.07063	0.1
228.04225	0.1
233.04639	0.1
234.01755	0.2
235.02496	0.2
237.04100	0.5
239.07126	0.3
240.04210	0.4
241.05084	0.5
241.08849	0.2
249.05551	0.2
251.07265	0.2
252.04550	0.2
253.05090	0.3
255.02922	0.2
255.04822	0.6
259.06219	0.3
265.04984	0.2
266.05829	0.2
267.06714	0.7
268.07446	0.5
269.08179	0.1
271.02750	0.1
271.06152	0.2
279.06601	0.2
281.04678	0.2
284.03244	1.1
285.03766	0.5
291.06635	0.2
292.07404	0.3
293.05035	0.2
293.08325	0.5
294.09036	0.2
298.04697	0.2
299.05490	1.1
300.06000	0.4
310.08380	0.2
311.05606	0.1
311.09158	0.3
312.06436	0.2
319.05969	0.2
325.04077	0.2
337.06915	0.1
341.06458	0.2
351.10907	0.2
355.58768	0.1
364.06024	0.1
381.13614	0.2
382.06879	0.2
408.15549	0.3
444.06775	0.2
452.14120	0.2
470.05035	0.3
497.14746	0.3
523.34955	0.4
524.35028	1.8
541.13165	0.8
567.11481	2.2
584.11884	0.2
585.12799	1.2
585.22607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Manglieside E
Peak:m/z	Relative Intensity
57.03440	0.6
59.01376	4.4
61.98822	2.3
69.61888	0.4
69.62292	1.5
71.01376	2.3
73.02943	0.9
75.00877	0.8
75.67943	0.3
83.01366	0.7
85.02957	3.6
87.00873	1.2
88.98787	0.4
89.02443	0.7
93.03455	1.1
99.00870	0.5
99.38956	0.3
101.02441	1.4
106.06600	0.6
108.02190	0.4
109.02971	0.5
111.00894	0.6
113.02451	1.1
116.92867	0.7
119.03465	0.3
119.05050	0.5
121.03020	0.3
123.04510	0.4
129.01923	0.4
135.04454	0.4
136.47147	0.4
137.02449	5.4
138.03175	0.6
139.00377	0.7
139.04005	0.6
145.02939	1.8
147.02951	0.3
147.03419	0.3
147.04509	2.2
149.02455	0.5
149.06035	0.3
150.03174	0.5
150.05632	0.7
151.00334	0.3
151.03999	3.8
152.01128	0.4
152.04802	1.0
153.01901	0.4
153.05586	0.4
159.04489	0.5
161.02432	0.8
161.04572	0.7
161.06067	0.8
162.03098	0.5
163.04018	4.0
164.04695	0.4
165.01906	0.9
165.04028	1.3
165.05438	0.6
166.02638	0.4
166.06329	1.0
167.03479	0.4
173.02463	0.8
173.04579	0.6
173.06033	0.8
174.03212	2.7
175.03984	14.0
176.04756	3.4
177.05560	1.8
178.02669	0.4
179.03485	1.7
180.04280	7.7
181.05093	0.3
184.03748	0.4
188.04771	3.0
189.05547	6.3
190.06343	18.6
191.01970	1.3
191.03543	0.6
191.07124	11.9
192.04242	1.0
193.05049	6.8
194.05847	6.8
195.06445	0.5
198.05251	0.4
200.47450	0.3
203.07091	2.2
205.08679	15.2
207.06615	6.2
208.07396	12.5
209.02936	0.3
219.02919	0.3
222.08972	2.9
223.06078	0.6
223.09702	1.0
269.04614	0.3
356.09808	1.0
359.11392	0.9
359.15274	0.4
371.10620	0.4
374.13690	2.6
389.16034	100.0
390.16403	6.6
407.26654	0.3
419.11493	0.3
419.17062	5.2
420.17276	0.5
491.15448	0.3
521.33374	2.1
539.34290	0.5
581.14551	0.8
581.22595	2.4
581.32336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03450	4.8
58.00563	0.4
59.01378	14.0
61.98534	0.7
61.98829	8.7
71.01378	7.3
71.30997	0.9
72.99313	0.7
73.02933	0.9
75.00864	0.7
83.01397	0.8
85.02946	22.2
87.00854	2.1
89.02451	2.7
96.96008	0.6
98.38795	0.4
99.00877	0.4
101.02435	3.2
103.00359	0.5
105.03472	0.5
111.00896	0.6
111.04514	0.5
113.02452	2.5
117.03462	1.4
119.05029	0.8
121.02990	0.6
123.04554	0.5
128.26636	0.4
129.01936	1.9
132.01387	0.2
132.02162	11.7
133.02998	2.7
134.03737	20.7
135.04524	0.6
136.01646	0.7
137.02460	1.8
145.02992	0.6
147.03021	3.1
147.04544	2.0
148.05272	0.8
149.06065	5.0
160.01656	62.0
161.02161	2.3
161.04463	0.5
163.04041	1.0
165.04033	0.9
165.12842	0.8
173.04521	1.4
173.05975	0.5
175.03992	67.2
176.04663	3.6
177.01915	0.7
177.05446	0.8
178.02690	1.2
179.03491	1.5
191.01962	9.3
191.07117	5.7
193.05042	22.1
207.06619	1.5
209.02979	6.0
219.07027	0.4
220.03748	0.9
221.04535	0.6
235.06105	12.1
236.06429	0.7
255.02985	0.9
257.11929	0.5
265.07193	1.9
281.06693	0.4
284.03210	0.7
295.08206	2.3
297.11954	1.1
323.93396	0.4
389.16098	0.8
396.28629	0.5
489.23541	0.7
521.26074	0.9
521.33258	6.5
581.26025	100.0
582.26343	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	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69350	0.2
56.89299	0.2
57.89801	0.2
59.01371	0.7
60.01717	0.2
61.98827	100.0
64.19834	0.2
71.54875	0.2
78.95924	0.7
92.79774	0.2
108.55213	0.2
109.21877	0.2
109.95856	0.2
151.45853	0.2
152.99628	0.4
174.56071	0.2
185.43939	0.2
200.71629	0.3
202.46318	0.2
204.71208	0.2
250.70074	0.2
279.23264	1.5
280.23682	0.4
282.24182	0.3
504.31030	1.2
506.31097	0.2
507.31885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98827	100.0
69.24693	0.8
78.95919	0.5
108.16520	0.1
152.99588	0.3
159.96590	0.1
180.00607	0.1
209.04395	0.1
279.23291	1.9
280.23590	0.7
281.23999	0.5
282.24225	0.3
325.38519	0.1
327.82776	0.1
415.79913	0.1
504.31024	1.0
505.31436	0.2
507.31854	0.5
581.32440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34212	0.7
54.31510	0.6
55.01882	1.0
55.73660	0.7
57.03447	3.3
57.03692	0.7
58.00596	4.5
59.01376	100.0
60.01707	0.9
61.98817	3.3
63.76685	0.7
64.63133	0.6
67.01886	1.1
69.03455	0.9
71.01378	66.6
71.98354	0.7
72.99317	6.3
73.02943	3.9
75.00871	1.4
83.01383	4.4
84.02161	0.9
85.02946	24.5
86.03281	0.8
87.00874	7.8
87.54827	0.6
88.98751	0.9
89.02438	83.2
89.31207	0.6
89.38046	0.6
92.00420	0.7
93.03464	2.4
95.01391	3.9
96.96005	0.7
97.02938	1.0
99.00865	1.6
101.02436	39.8
102.02827	0.9
109.02978	1.4
111.00904	1.4
113.02448	28.1
114.02768	0.9
115.00368	0.7
115.39165	0.6
116.92860	1.6
117.03489	1.4
119.03497	39.2
119.05024	2.4
123.00939	0.8
125.02460	1.4
129.01961	1.3
131.03485	5.2
131.04970	0.7
132.02232	0.8
133.02921	0.7
133.06630	0.8
134.03712	3.7
135.04506	1.2
136.01732	0.8
137.02411	3.3
138.03273	2.2
143.03487	7.2
145.02960	2.2
146.03705	0.8
147.03047	1.9
147.04541	1.8
149.02477	2.6
149.04579	4.0
149.06067	2.1
150.03212	1.7
151.04033	2.8
152.01163	0.7
152.04814	2.0
153.05565	2.1
155.03535	0.8
158.03645	0.8
159.04529	1.5
160.01675	3.0
161.02457	1.6
161.04565	6.3
162.03300	1.3
163.03938	1.5
164.04826	0.8
165.04094	1.4
165.05573	1.9
171.04478	0.7
173.04587	3.3
173.05974	0.7
174.03281	1.3
175.03981	10.4
175.05357	1.0
176.04753	1.0
177.01929	1.9
177.05562	3.1
178.02721	0.7
179.03282	0.9
179.05602	18.1
180.04504	0.7
187.04015	4.6
188.04800	3.0
189.01970	0.7
189.05554	3.2
190.02748	2.1
190.06328	3.6
191.01952	6.3
191.03357	0.7
191.05627	1.6
191.07181	2.3
192.04370	1.1
193.05038	4.7
194.05727	1.1
195.06731	1.4
201.05530	0.7
202.06395	2.0
203.03604	0.8
203.07170	3.0
204.04337	1.0
204.07895	0.8
205.05040	7.2
205.08752	2.3
207.06586	1.0
209.02983	1.2
217.08704	1.9
218.05765	1.0
219.06648	1.6
220.07359	6.7
223.06113	0.8
227.03317	1.3
235.06136	0.9
235.09662	4.5
255.03011	1.9
265.07217	1.7
272.03287	1.2
284.03351	2.9
285.03995	1.0
287.05762	1.9
295.05850	0.8
301.14496	0.7
309.07654	0.9
313.10901	1.2
325.10532	1.0
341.10226	7.4
342.10712	0.8
353.10049	0.9
355.11832	1.4
356.12802	3.4
371.11154	1.5
371.15131	2.3
377.28577	0.8
386.13547	1.1
389.15930	3.9
389.39377	0.7
401.16013	54.2
402.16235	3.3
520.32617	0.9
521.26013	1.5
521.33411	5.4
563.17804	2.3
581.22418	15.2
581.31451	0.9
581.65869	2.9
582.22461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55299	1.2
59.01376	29.4
61.98827	46.5
67.04534	1.2
71.01385	13.9
73.02943	5.8
75.00866	1.7
80.06522	1.5
85.02946	5.6
87.00863	6.1
89.02435	19.4
93.03451	2.5
96.96016	1.8
98.19881	3.4
99.00887	13.4
101.02440	9.1
113.02407	4.4
114.56039	1.4
120.53768	1.5
124.94429	1.3
125.02449	2.2
131.03485	2.6
135.04503	1.6
137.02478	2.4
147.04440	1.8
149.04518	3.8
149.06020	2.2
150.03212	2.9
151.03967	2.6
163.11165	2.0
165.04042	4.1
165.05461	1.7
173.04456	2.3
174.04977	1.9
191.05643	6.6
193.05002	3.4
195.06572	1.7
207.10204	3.7
227.07059	2.1
292.80447	1.7
320.18347	1.4
387.16382	2.3
420.16626	1.7
433.12674	1.8
481.76563	1.6
519.20795	100.0
520.21118	10.5
522.26654	1.5
561.69287	2.0
582.14923	4.3
583.13416	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	581.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
57.03449	12.8
58.60379	0.8
59.01378	47.7
60.01692	1.2
61.98827	25.7
66.19655	0.7
68.02404	0.7
68.99786	1.5
69.03445	1.1
70.91518	0.8
70.91834	1.5
71.01379	22.3
72.99304	3.3
73.02945	5.9
75.00874	5.1
78.95889	1.2
83.01373	4.5
84.02143	1.8
85.02946	100.0
86.03280	2.0
87.00871	11.2
88.98803	1.7
89.02438	5.3
91.17617	0.7
93.03445	3.6
95.01376	2.7
96.96010	9.8
97.02942	2.0
99.00874	3.8
101.02436	11.7
103.00391	1.6
109.02946	1.1
111.00887	3.2
111.04555	1.1
113.02449	7.5
116.92868	1.3
119.03493	1.5
119.04993	2.7
121.02959	1.7
123.04544	1.4
125.02467	2.1
129.01955	8.0
130.99849	0.8
132.02158	1.0
134.03763	2.1
137.02409	2.7
145.02954	2.5
147.03009	15.8
147.04475	2.2
149.06062	2.1
151.03989	2.0
153.12837	0.9
155.03522	1.1
159.02977	1.3
160.01648	3.9
161.02377	2.3
161.04462	1.2
163.03989	1.2
165.04002	3.2
165.05466	1.5
166.85078	0.8
173.00893	1.0
173.04532	6.6
173.05937	1.3
175.04005	5.4
183.13911	0.9
186.06827	1.2
187.07626	0.9
191.01967	44.3
191.05618	3.3
192.02310	0.8
193.05032	3.8
201.05510	1.1
201.14969	1.4
209.03044	10.9
209.11867	1.5
215.06953	1.1
219.02960	0.8
230.15257	0.9
241.05031	1.1
251.05463	1.0
255.06738	1.4
269.04681	1.1
271.02505	1.3
282.01880	0.9
284.03244	1.8
285.03751	1.3
297.03995	3.4
298.04770	1.2
299.05560	1.4
312.06461	4.8
313.07086	1.3
345.17175	1.1
359.28055	5.1
368.08823	1.5
371.14874	1.0
383.11389	4.6
389.15997	2.5
449.27560	1.2
521.33356	52.4
522.33856	4.1
539.30731	2.1
545.16644	8.9
546.16846	1.4
563.18005	1.8
581.23682	3.5
581.35022	9.2
582.22742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.3
60.99273	0.9
67.01874	2.0
69.03424	1.4
69.49759	3.0
69.50169	2.4
71.01375	3.2
81.03457	1.2
83.05021	2.0
85.02952	2.7
87.00866	3.0
93.03455	17.5
98.20653	1.0
103.60247	0.8
108.02179	1.0
109.02946	1.6
111.04514	7.3
121.02909	5.3
122.03745	3.0
123.04485	2.3
123.28294	1.0
127.03968	2.6
134.03732	15.8
136.01653	48.7
137.02332	2.4
149.02432	8.0
149.06055	14.1
150.03223	26.7
151.03998	78.0
152.04298	2.5
155.03503	6.6
162.99162	0.8
164.04770	2.3
165.05562	29.0
166.05939	1.5
173.04529	54.0
174.04881	1.6
180.04329	1.4
181.05054	6.3
191.05594	18.2
193.05008	4.1
195.06619	10.8
211.06044	2.3
224.04778	1.0
233.06671	4.5
236.04691	2.6
237.05249	1.1
241.05055	1.1
252.04228	4.2
253.04730	0.9
255.06543	2.9
267.06573	2.5
269.04544	1.3
282.08939	1.2
284.06821	5.1
285.07330	1.4
287.05563	1.4
299.09207	11.0
300.09576	0.9
341.10095	3.2
341.41864	0.8
347.11288	1.3
359.11285	8.1
359.60077	0.8
389.12274	2.0
407.13443	100.0
408.13834	9.5
581.18799	18.7
582.19159	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	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60413	1.0
57.03441	2.3
59.01381	16.5
60.99292	3.6
65.89758	1.1
67.01624	0.9
67.01897	9.7
69.03442	2.5
69.36343	6.8
69.36749	1.6
71.01376	6.5
73.30632	1.2
73.79288	1.3
81.03452	2.4
83.05014	3.8
85.02946	11.6
87.00869	12.2
93.03454	79.7
95.01374	1.2
98.20647	2.3
99.00872	1.4
99.04449	1.1
108.02162	1.6
109.02911	2.4
111.00852	1.7
111.04514	14.3
113.02430	1.7
120.76656	1.0
121.02950	2.9
122.03722	2.4
123.04493	3.7
125.99254	0.9
127.03986	3.6
129.01903	3.2
134.03737	14.9
135.04568	1.3
136.01654	51.9
137.02383	4.6
143.03569	1.1
149.02431	6.4
149.06044	8.9
150.03221	32.0
150.28662	1.0
151.03998	85.6
152.04340	2.0
155.03482	9.0
164.04749	2.1
165.05562	37.7
173.04538	92.6
174.04869	2.7
181.05037	8.5
183.89684	1.1
191.05602	100.0
192.05968	2.0
193.04999	3.7
195.06596	10.7
211.06120	3.3
233.06667	11.5
252.04236	2.6
284.06845	1.4
299.09351	3.6
359.11124	1.8
389.12634	1.6
407.13425	83.2
408.13766	5.6
563.17151	3.0
581.18665	83.2
582.18793	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	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01376	7.2
60.99302	1.7
61.98809	2.0
67.01887	8.1
69.03442	1.5
69.16116	4.0
71.01373	4.7
72.99284	0.5
73.02951	0.6
77.92422	0.4
81.03445	1.5
83.05022	1.3
85.02944	4.6
87.00874	5.9
88.98798	0.4
93.03452	47.5
94.03787	1.0
95.01377	0.4
96.96006	0.7
98.95592	0.5
99.00880	0.8
99.04467	0.3
109.02944	1.8
111.00914	0.9
111.04514	7.4
113.02440	1.0
114.14903	0.4
121.02958	1.6
122.03735	0.8
123.04496	0.9
127.03963	1.2
129.01941	0.6
133.02913	0.5
134.03717	3.6
136.01657	14.2
137.02449	4.8
142.43976	0.4
149.02431	1.6
149.06058	3.7
150.03215	7.9
151.03998	19.7
152.04305	0.5
155.03485	5.1
164.04709	0.7
165.04160	0.8
165.05542	8.9
173.04535	100.0
174.04887	3.1
177.01753	0.4
177.35561	0.4
180.04314	0.5
181.05067	1.9
191.05598	36.7
192.05888	0.7
193.05038	1.3
195.06587	2.9
211.06238	0.9
233.06647	5.8
236.04782	0.7
252.04335	0.7
284.06818	0.9
297.11542	0.5
299.09189	2.2
301.11398	0.4
341.10416	0.8
359.11530	2.1
384.10605	0.6
389.12582	0.7
407.13428	25.3
408.13739	2.4
408.98065	0.4
437.06229	0.4
521.25909	0.4
563.18024	1.8
581.18695	29.4
582.19055	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1822
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.08104	1.5
59.01374	8.5
61.98829	4.6
71.01359	3.0
71.53461	2.1
78.95902	100.0
85.82957	1.6
88.98801	5.3
89.02439	3.2
96.96008	5.3
96.96972	6.0
99.92585	10.5
101.01679	1.4
101.02464	2.1
111.67207	1.7
115.91334	2.2
115.92085	33.8
116.92851	28.8
150.98067	4.5
152.99583	24.1
164.90396	2.1
165.98953	2.3
171.00612	9.1
172.95473	6.4
178.88429	10.9
178.92046	1.8
179.87656	1.8
179.89214	36.1
180.90036	25.9
181.90799	2.2
194.87885	4.8
196.89494	48.6
197.89571	2.0
204.89954	1.8
205.90746	5.0
206.91533	3.9
208.89514	3.1
219.92334	2.3
234.91025	1.5
235.91753	8.4
236.92601	22.9
236.94803	2.8
252.92087	4.1
255.23346	7.6
256.23590	2.6
262.58435	2.6
270.93109	1.7
276.95636	1.9
278.93634	2.7
292.95200	3.1
309.95532	1.9
310.96228	6.1
314.04227	2.0
461.65195	3.0
462.15665	2.0
473.13901	5.4
490.14191	5.0
533.16064	3.0
545.16095	6.3
563.16858	7.7
581.18237	84.4
582.18542	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	579.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80279	0.1
59.01382	0.5
61.98826	100.0
71.54510	0.2
75.55045	0.1
75.98949	0.2
78.95915	0.5
87.00884	0.2
152.99654	0.5
181.25194	0.2
206.41635	0.2
277.21671	2.2
277.26291	0.2
278.22116	0.7
279.22397	0.5
280.22705	0.3
284.03244	0.2
350.09619	0.2
377.40552	0.2
502.29037	0.8
504.29916	0.3
505.30283	0.5
579.30414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49287	0.3
59.01376	15.0
61.98827	11.3
61.99157	0.5
63.99258	0.9
65.55759	0.3
66.91308	0.3
69.46271	1.1
69.46700	1.5
71.01379	0.4
78.95906	5.3
79.95726	0.6
80.96507	3.8
87.00860	0.4
87.81153	0.3
88.01942	0.3
94.98087	0.7
96.84554	0.4
96.95964	0.4
101.02480	0.4
106.98016	0.4
133.16315	0.3
152.99631	1.3
156.02805	0.3
163.31645	0.3
165.90091	0.3
168.04297	1.2
224.06891	0.8
242.08003	2.3
255.23320	0.4
281.24835	100.0
282.25177	6.7
282.28098	0.7
506.32480	38.2
507.32843	3.7
521.28967	0.4
531.61426	0.3
580.28705	6.0
581.29022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00922	0.7
57.01426	0.7
59.01374	2.0
61.98821	1.7
63.96244	1.1
71.01371	6.4
71.53549	0.8
71.53967	1.2
73.02928	1.1
75.22192	0.8
78.95884	1.0
78.98584	5.0
79.95729	8.1
80.96513	54.6
85.02944	2.5
87.00856	2.4
94.98076	13.0
96.96019	4.0
97.02927	1.2
101.02415	1.8
106.98093	2.2
122.97569	2.2
125.02416	2.1
134.97598	4.0
136.99075	1.0
148.99113	4.6
152.98589	4.7
164.98615	9.8
187.08081	0.7
206.99657	1.7
207.02521	0.9
209.11752	1.0
222.92380	0.8
225.00732	13.6
279.23209	1.8
299.04486	2.1
579.28363	100.0
580.28625	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
61.98829	18.2
63.96230	1.1
68.81612	0.7
71.01379	5.3
73.02943	2.0
78.95926	0.8
78.98585	5.7
79.95731	8.0
80.96516	55.9
85.02927	1.7
87.00867	1.5
89.11571	0.5
94.98077	14.1
96.96001	2.0
97.02919	1.6
101.02457	3.1
106.98075	3.1
122.97594	4.9
125.02410	2.6
134.97569	3.0
136.99150	1.4
139.12823	0.6
148.99142	5.1
152.98631	6.2
164.98615	9.6
182.99652	2.1
206.99605	2.1
225.00746	16.1
226.00482	0.6
243.01717	1.8
279.23358	3.3
281.24762	1.0
299.04407	2.6
579.28400	100.0
580.28772	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08668	0.1
53.74314	0.2
59.01374	0.3
61.98827	100.0
70.27013	0.3
70.27402	0.4
71.01379	0.3
79.57560	0.2
79.95734	0.3
80.96506	1.3
87.47839	0.1
90.84009	0.2
94.98079	0.2
144.61526	0.1
148.99171	0.2
164.98608	0.2
189.26454	0.2
200.57224	0.2
225.00774	0.3
235.91061	0.2
236.97296	0.2
279.23422	0.5
280.23782	0.5
281.23978	0.3
307.04605	0.2
454.74142	0.2
499.56775	0.2
579.28400	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81905	0.2
59.01376	16.1
61.98825	0.3
70.95853	0.2
70.96184	0.3
71.01384	0.5
78.95901	6.0
78.98546	0.2
79.95731	0.6
80.96509	3.6
82.96092	0.2
94.98069	0.7
101.02478	0.2
106.98058	0.3
115.19217	0.2
148.99246	0.2
152.98521	0.3
152.99576	1.3
164.98616	0.6
165.99042	0.2
168.04263	1.2
168.21954	0.2
191.86841	0.2
197.16043	0.2
224.06906	1.0
225.00777	0.6
226.01114	0.2
242.07974	2.3
243.08012	0.2
261.22125	0.3
279.23257	100.0
280.23608	6.1
283.89792	0.2
346.76852	0.2
439.52368	0.2
504.30927	35.8
505.31372	2.9
578.27148	6.2
578.36298	0.3
579.26947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25109	0.4
58.99814	0.3
59.01377	20.7
61.94731	0.3
61.98818	1.3
69.86715	1.9
78.95900	21.7
80.96494	1.5
83.01342	0.4
87.00816	0.4
94.98059	0.6
122.98498	0.8
123.04345	0.3
148.99023	0.3
152.99605	3.2
168.04272	3.8
193.01450	0.8
224.06909	8.9
242.07944	1.7
261.22153	0.5
269.09222	0.8
269.59406	0.7
277.21732	1.0
278.22125	0.6
279.23257	100.0
280.23599	6.5
283.13339	0.4
336.45569	0.4
356.95328	0.4
367.82211	0.3
387.63913	0.4
415.42178	0.4
504.30936	81.1
505.31323	6.9
517.74689	0.5
578.27228	2.4
579.27917	0.4
590.38245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05392	0.5
58.24729	0.5
59.01372	1.4
63.02388	0.6
69.45880	4.0
93.03439	0.6
98.20673	0.5
107.01387	2.2
109.02917	0.7
125.82614	0.5
132.02104	0.9
135.00891	1.4
151.00348	3.0
163.00362	1.9
164.01221	0.7
171.04480	0.6
178.99847	1.0
180.85803	0.6
185.06024	1.2
187.03975	1.1
197.06036	0.6
199.03978	0.5
200.04657	0.6
211.03976	1.9
213.05589	0.8
227.03482	38.2
228.03929	1.9
229.05031	4.9
239.03413	1.6
255.02963	67.3
256.03574	6.7
257.04596	3.1
267.02972	0.5
283.02576	1.0
284.03238	100.0
285.03970	38.8
286.04410	2.1
303.85715	0.6
429.07980	0.9
447.08914	0.8
579.13501	88.5
580.13751	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54211	0.3
52.36900	0.4
57.03440	1.1
59.01377	9.6
61.98817	1.0
64.88538	0.4
68.99814	0.4
69.03461	0.5
69.18523	2.8
70.33566	0.3
71.01375	5.6
73.02945	1.2
75.00851	1.0
81.03456	0.3
83.01398	0.7
85.02955	3.9
87.00879	1.8
89.02435	1.8
93.03448	0.7
95.01395	0.8
96.96007	1.4
97.06620	0.4
98.19923	0.6
99.00881	0.6
101.02416	2.5
108.02189	0.4
109.02935	2.0
111.00867	0.8
113.02411	2.2
119.03462	0.6
121.02921	0.8
121.10190	2.0
123.00885	1.8
123.04463	0.6
124.01604	0.4
125.02442	1.0
129.01935	0.5
135.02988	0.7
137.02437	8.8
138.02850	0.4
139.00331	0.9
139.03976	0.4
145.02917	0.5
147.04555	0.8
148.04044	0.4
149.02441	1.2
149.06056	0.5
150.03192	0.6
151.00363	15.9
151.03984	1.4
152.01112	1.0
152.04767	2.6
153.02020	0.5
159.04536	0.4
161.04573	0.8
163.03973	1.1
164.04704	0.4
165.01895	0.5
165.04041	0.9
166.02702	52.6
167.03407	3.0
168.04152	0.4
173.04601	0.5
175.03987	1.1
177.01903	3.0
179.03377	0.6
181.05055	70.2
182.05411	1.6
184.03767	0.7
190.02695	0.4
190.06328	0.9
191.03554	0.9
191.05554	0.4
192.04276	0.7
193.05019	1.0
195.03035	0.6
197.56241	0.4
203.03590	0.4
203.32529	0.3
205.05040	0.8
205.08681	1.0
207.06651	1.1
209.04628	0.4
219.06558	0.4
227.03557	0.4
255.02963	0.9
271.02554	0.6
284.03162	1.3
285.03903	1.1
285.07538	0.4
301.07040	0.5
314.07678	0.5
315.14301	0.7
316.09439	0.4
329.10284	0.6
351.85220	0.3
359.11145	1.2
371.15128	0.6
375.27209	0.8
387.05792	0.7
387.10812	13.8
388.11057	1.0
402.13174	7.5
403.13644	0.5
417.15506	100.0
418.15811	7.8
449.27811	0.4
459.12286	0.4
503.06033	1.7
519.31702	11.4
537.32727	2.8
547.21063	0.4
579.14154	1.0
579.22870	6.6
579.32050	0.6
580.22784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57982	0.2
55.01867	0.2
57.03446	0.2
59.01377	5.1
60.01728	0.2
61.98827	100.0
62.98521	0.2
69.97634	0.8
71.01378	1.3
72.99329	0.2
73.02941	0.4
75.00871	0.5
85.02931	1.3
86.03348	0.2
87.00879	0.9
89.02443	0.4
93.03459	0.5
96.50340	0.2
96.96021	0.3
99.00885	0.4
101.02457	0.8
113.02473	0.6
119.05012	0.2
121.85416	0.2
123.04526	0.2
125.02451	0.4
129.01981	0.2
130.99895	0.3
134.03714	0.2
135.02997	0.4
145.03049	0.2
149.06021	0.3
160.01579	0.2
163.11407	0.2
165.03998	0.3
165.05577	0.2
173.04549	0.8
175.04054	0.4
183.13983	0.2
191.05618	0.2
193.05032	0.2
205.03568	0.2
221.08180	0.2
227.03574	0.3
255.02974	0.4
271.02338	0.2
272.02881	0.4
284.03149	0.9
285.03897	0.3
298.14355	0.2
299.02097	0.7
299.05518	0.3
300.02277	1.0
300.05508	0.2
313.03461	0.2
314.04257	0.6
315.04782	0.5
328.16357	0.2
329.06607	1.1
330.06931	1.5
577.32434	2.8
578.25446	0.3
578.33014	3.9
579.13055	0.2
579.34045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37470	0.2
59.01373	0.2
61.98827	100.0
62.85975	0.1
69.31413	0.9
69.31828	0.3
71.01389	0.2
72.75750	0.1
73.57899	0.2
78.98570	0.2
79.95757	0.3
80.96510	1.8
94.98094	0.5
97.31745	0.1
134.97639	0.2
152.98558	0.2
164.98694	0.3
225.00813	0.6
244.05438	0.2
277.21799	0.4
278.22174	0.5
279.22397	0.4
280.22827	0.3
298.71985	0.2
543.75110	0.2
562.97272	0.2
577.26898	3.7
581.38843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98826	100.0
69.25836	1.0
71.01408	0.2
78.95915	0.1
79.95731	0.1
80.96503	1.1
94.98092	0.3
113.02544	0.1
148.99048	0.1
164.98608	0.2
202.32117	0.1
225.00749	0.3
271.45010	0.1
277.21777	0.4
278.22095	0.5
279.22427	0.2
280.22632	0.2
470.61780	0.1
577.26788	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05805	0.2
57.78899	0.1
59.01377	19.4
61.98821	0.4
68.50237	0.2
70.54922	0.5
71.01386	0.2
78.95901	7.0
96.96961	0.2
152.99568	1.4
168.04306	1.6
190.42232	0.2
195.31453	0.2
197.15999	0.1
212.20636	0.2
224.06880	1.0
233.22775	0.4
242.07970	3.0
259.20657	0.5
275.16495	0.2
275.20087	0.5
277.21692	100.0
278.18927	0.3
278.22055	5.9
502.29370	42.9
503.29654	3.4
503.36929	0.2
576.32660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.3
59.91362	0.4
61.98817	1.3
71.37547	0.8
72.68900	0.4
78.95901	26.5
81.83730	0.4
93.60703	0.4
96.97000	0.5
143.16806	0.4
148.09985	0.4
151.13768	0.4
152.99594	3.1
162.11276	0.4
168.04247	4.2
185.41205	0.5
192.35754	0.4
224.06886	10.2
233.22731	0.5
242.07904	3.0
277.21689	100.0
278.22009	5.9
365.11874	0.4
476.29785	0.4
502.29364	84.8
503.29584	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83280	0.5
59.01366	1.4
61.98826	38.0
62.98515	0.6
63.42264	0.4
63.47121	0.5
63.96224	1.4
64.33037	0.5
66.95681	0.4
69.95697	1.6
71.01379	6.0
73.02927	1.4
75.14228	0.5
78.95866	1.1
78.98580	5.8
79.95728	7.9
80.96513	57.7
81.03445	0.8
82.80567	0.5
83.01392	0.7
85.02950	2.1
87.00872	2.8
94.98081	14.6
96.96001	1.2
97.02945	1.5
99.33761	0.5
101.02437	2.7
106.98071	2.6
113.02451	0.8
113.06181	0.5
120.68626	0.5
121.03008	0.5
122.97583	5.2
124.60385	0.4
125.02454	3.9
127.04029	0.8
134.97574	3.7
136.99121	1.4
148.99133	5.2
150.68103	0.5
151.52362	0.6
152.98615	6.2
164.97324	0.8
164.98616	11.3
167.03525	1.1
167.36969	0.5
182.99644	1.8
187.15843	0.5
193.01479	0.9
204.17221	0.5
206.99619	3.3
225.00731	16.7
243.01746	1.8
269.09167	1.8
277.21680	5.3
278.21844	0.6
279.23184	1.5
283.13431	0.8
299.04471	3.0
299.24911	0.5
315.36798	0.6
328.22827	0.5
348.26318	0.5
379.28598	3.4
380.28778	6.5
387.13678	2.3
387.63873	1.3
402.14337	1.3
432.19913	0.5
517.24408	0.8
577.26813	100.0
578.27039	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	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60718	0.4
59.01377	12.6
61.98825	1.0
71.01370	2.9
72.99293	0.5
73.02950	0.9
78.25425	0.5
78.95892	1.2
85.02953	0.8
87.00879	1.0
89.02439	2.4
101.02435	3.2
102.86182	0.4
106.66969	0.5
113.02419	1.3
119.03541	0.9
132.45787	0.5
133.41548	0.5
152.99541	1.0
153.33598	0.5
161.04552	0.9
235.08195	1.2
253.09276	14.4
279.23273	100.0
280.17029	0.5
280.23618	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	576.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32694	0.3
50.65851	0.3
55.01858	0.4
57.03455	0.3
59.01374	3.7
59.07639	0.3
59.52472	0.3
61.98827	0.9
69.03455	0.8
69.22887	2.6
71.01378	1.9
73.02953	1.5
83.01389	0.5
85.02933	1.6
87.00867	0.7
89.02425	0.4
93.03458	0.8
96.95993	0.5
101.02443	1.4
106.06644	0.3
107.64894	0.3
113.02452	0.4
117.74128	0.3
119.05015	1.1
120.01247	100.0
121.01626	0.8
121.69582	0.3
125.02416	0.3
129.01912	0.4
135.04533	0.3
145.03032	0.5
146.45459	0.3
147.04547	0.6
148.59413	0.3
149.04593	0.4
149.06126	0.4
163.04039	0.7
173.04546	0.7
185.00999	0.5
191.02020	0.5
191.05617	1.1
209.03026	0.5
225.09242	0.4
227.03464	0.4
250.02557	0.5
251.03082	0.5
264.07629	0.4
265.05069	0.3
266.05493	0.5
268.04312	0.3
281.08249	0.7
282.08600	1.8
326.07483	0.9
351.05099	0.4
385.09335	1.8
445.55450	0.4
532.22296	1.8
576.18073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03441	2.3
58.00611	0.5
59.01376	21.3
60.99316	0.9
61.98826	2.4
67.01884	6.2
69.03439	2.6
71.01379	12.0
71.54449	0.6
72.99325	1.8
73.02942	6.4
75.00872	3.3
78.03420	0.5
81.03464	1.6
83.01369	0.9
83.05021	1.9
85.02945	7.1
87.00871	6.1
87.04491	0.6
89.02438	5.2
91.47005	0.5
93.03460	37.2
94.03782	0.7
95.01391	0.6
96.96016	3.0
97.02961	0.5
99.00893	1.7
99.04522	0.8
101.02439	10.0
101.45798	0.6
103.04001	3.7
109.02950	1.4
110.91521	0.5
111.00863	1.6
111.04523	9.5
111.08166	0.6
112.49920	0.5
113.02438	2.4
115.00369	0.5
115.04004	0.8
116.92825	0.7
118.98093	3.6
119.03491	1.9
119.05023	2.2
121.02963	1.1
123.04530	2.6
125.02450	0.6
127.03994	2.0
129.01936	0.9
130.99879	0.7
131.03531	1.7
132.02206	0.6
133.01367	0.8
135.03001	10.2
137.02437	7.9
143.03477	2.5
145.02934	1.4
145.05032	1.5
147.04482	2.1
148.05304	0.8
149.06070	10.0
155.02274	0.9
155.03510	11.3
160.01675	1.4
161.02405	0.5
161.04594	1.0
163.03964	1.4
163.06111	15.3
165.05475	1.3
165.12831	11.9
173.04536	100.0
174.03419	0.8
174.04781	2.7
174.17839	0.5
175.04015	2.5
183.13890	36.2
184.03616	0.5
184.14342	1.2
189.02002	0.6
191.03760	1.3
191.05600	22.7
192.05801	0.5
193.05026	7.1
205.07158	2.9
209.11792	0.7
211.44089	0.6
219.02960	1.8
227.03371	1.1
227.12875	22.9
227.15172	1.2
228.13123	0.7
255.02872	1.5
265.09204	1.0
267.07144	1.3
283.06039	1.1
284.03281	2.5
284.06537	0.7
288.21478	0.6
297.07565	1.0
299.05527	0.7
309.07547	0.6
312.09833	0.6
325.11380	0.7
337.09253	2.0
353.06458	0.9
368.09134	0.7
371.11252	1.6
381.57449	0.8
383.11270	2.7
383.16370	2.6
401.12518	2.3
401.18097	27.4
402.18430	1.9
489.17557	0.7
495.13281	0.7
531.13953	1.2
539.11591	0.8
557.13104	5.1
557.21686	1.0
574.71710	0.6
575.14642	5.4
575.23346	63.3
576.23730	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	575.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23561	0.6
57.03446	2.6
58.63093	0.6
59.01376	11.4
60.59341	0.7
60.99295	2.4
61.98824	2.3
67.01883	7.7
69.03464	3.2
71.01383	9.5
71.54673	1.4
72.99305	0.7
73.02954	1.7
75.00876	2.3
81.03468	2.4
83.05035	2.1
85.02954	10.9
87.00872	13.0
89.02452	2.2
93.03455	56.9
94.03773	1.2
95.01413	0.8
96.96008	3.6
97.02955	0.7
98.95613	1.9
99.00869	2.8
99.04500	1.0
99.92565	1.2
101.02431	2.4
109.02944	2.7
111.00932	1.7
111.04519	12.1
113.02433	2.9
115.04051	1.2
115.92067	2.8
116.92850	7.0
117.92847	0.7
119.05061	1.4
123.04502	1.1
125.02451	1.2
127.04007	1.9
129.01962	1.4
135.03006	6.3
137.02440	6.3
139.00395	1.0
140.01147	1.2
143.03540	0.9
145.02979	1.8
147.04517	1.1
149.02394	0.9
150.54041	0.7
153.01828	0.7
155.03496	9.6
159.04428	1.3
161.02383	1.9
164.98280	1.2
165.04115	1.6
165.05450	1.6
165.12860	3.7
165.99052	2.7
171.03110	0.7
173.04541	50.1
174.04884	1.7
175.03987	0.9
181.01387	2.5
183.13902	10.4
185.00911	0.9
189.01913	1.0
191.05598	100.0
192.05945	2.1
193.05061	1.4
199.07640	2.4
207.10170	0.9
209.11832	1.0
227.03334	1.3
227.12849	6.7
231.10240	1.9
255.02919	1.9
256.03479	0.7
284.03281	2.7
329.05731	0.8
353.10287	1.0
381.09689	2.5
382.84305	0.7
383.17041	8.1
393.12549	0.8
401.18115	26.9
402.18411	1.4
409.05438	0.9
413.12451	3.6
552.63538	1.9
553.14264	1.4
557.14258	0.9
557.22363	1.1
575.15436	5.3
575.23389	97.7
576.15344	0.8
576.23651	8.6
588.53790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23561	0.6
57.03446	2.6
58.63093	0.6
59.01376	11.4
60.59341	0.7
60.99295	2.4
61.98824	2.3
67.01883	7.7
69.03464	3.2
71.01383	9.5
71.54673	1.4
72.99305	0.7
73.02954	1.7
75.00876	2.3
81.03468	2.4
83.05035	2.1
85.02954	10.9
87.00872	13.0
89.02452	2.2
93.03455	56.9
94.03773	1.2
95.01413	0.8
96.96008	3.6
97.02955	0.7
98.95613	1.9
99.00869	2.8
99.04500	1.0
99.92565	1.2
101.02431	2.4
109.02944	2.7
111.00932	1.7
111.04519	12.1
113.02433	2.9
115.04051	1.2
115.92067	2.8
116.92850	7.0
117.92847	0.7
119.05061	1.4
123.04502	1.1
125.02451	1.2
127.04007	1.9
129.01962	1.4
135.03006	6.3
137.02440	6.3
139.00395	1.0
140.01147	1.2
143.03540	0.9
145.02979	1.8
147.04517	1.1
149.02394	0.9
150.54041	0.7
153.01828	0.7
155.03496	9.6
159.04428	1.3
161.02383	1.9
164.98280	1.2
165.04115	1.6
165.05450	1.6
165.12860	3.7
165.99052	2.7
171.03110	0.7
173.04541	50.1
174.04884	1.7
175.03987	0.9
181.01387	2.5
183.13902	10.4
185.00911	0.9
189.01913	1.0
191.05598	100.0
192.05945	2.1
193.05061	1.4
199.07640	2.4
207.10170	0.9
209.11832	1.0
227.03334	1.3
227.12849	6.7
231.10240	1.9
255.02919	1.9
256.03479	0.7
284.03281	2.7
329.05731	0.8
353.10287	1.0
381.09689	2.5
382.84305	0.7
383.17041	8.1
393.12549	0.8
401.18115	26.9
402.18411	1.4
409.05438	0.9
413.12451	3.6
552.63538	1.9
553.14264	1.4
557.14258	0.9
557.22363	1.1
575.15436	5.3
575.23389	97.7
576.15344	0.8
576.23651	8.6
588.53790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.3
59.01375	13.6
61.98814	0.4
69.76186	0.2
70.68488	0.7
71.01381	2.7
73.02937	0.7
78.95894	0.3
83.01381	0.4
85.02932	0.6
89.02452	2.8
101.02457	3.3
113.02444	1.8
116.62427	0.3
119.03469	0.8
154.01358	0.3
161.04570	1.2
164.97227	0.3
178.04778	0.2
235.08206	1.7
249.16673	0.3
253.09264	13.7
254.09459	0.4
264.83640	0.3
268.47964	0.2
279.23267	100.0
280.23605	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	575.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82983	0.3
57.03437	1.3
59.01375	6.3
60.48536	0.4
60.99299	1.7
61.98809	0.6
67.01894	3.4
69.03454	2.6
71.01375	3.5
71.31016	0.7
72.99312	0.8
73.02942	1.4
75.00883	1.0
81.03453	1.1
83.01379	0.6
83.05017	1.9
85.02949	9.7
87.00873	10.2
89.02435	1.1
93.03457	36.0
94.03816	0.7
95.01390	0.5
96.96001	0.6
97.02921	0.6
99.00883	1.3
99.04499	0.8
101.02467	2.1
103.04008	0.4
109.02946	1.6
111.04514	7.7
113.02467	1.3
119.04973	0.5
123.04513	0.7
125.02364	0.4
127.03992	2.8
129.01935	0.9
130.99872	0.5
131.03513	0.4
131.05005	0.5
134.03732	0.9
135.02956	2.1
135.04539	0.6
137.02446	1.5
143.03569	0.5
147.04483	1.0
148.05290	0.8
149.06055	7.7
152.59659	0.4
155.03506	4.3
159.60948	0.3
160.01677	2.2
161.02454	0.4
163.03989	0.5
163.06158	1.9
165.12842	4.4
171.02959	0.6
173.04536	17.4
175.03975	3.1
183.13885	9.2
185.00916	0.9
190.02390	0.4
191.05603	100.0
192.05971	2.6
193.05025	6.5
205.07155	0.4
209.11839	0.5
227.12891	4.1
227.58475	0.3
254.04208	0.5
283.06223	1.3
284.03122	0.6
297.07825	0.4
327.08423	0.5
337.09436	2.7
355.10413	2.3
381.13141	0.7
383.11273	1.8
383.17075	4.1
389.25403	0.5
399.09384	0.5
401.18121	20.6
402.18521	1.6
407.14941	0.5
440.57999	0.4
487.16238	0.7
513.13745	0.4
531.15015	1.8
557.13062	1.2
557.21973	0.8
567.16113	0.4
575.23419	69.0
576.23712	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	575.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82619	0.6
57.03434	1.7
59.01378	9.5
60.99294	1.0
61.98819	1.2
65.03971	0.6
66.91675	0.5
67.01890	8.6
68.89022	0.6
69.03463	3.0
71.01383	5.3
71.54626	0.7
72.99307	0.9
73.02933	1.1
75.00874	1.5
81.03454	2.0
83.05044	2.0
85.02946	7.7
87.00878	9.9
87.54663	0.6
89.02445	2.5
93.03456	45.9
94.03784	1.1
95.01381	1.0
96.96004	3.2
97.02902	0.6
98.95611	1.3
99.00879	2.2
99.92606	0.9
101.02424	1.8
109.02952	2.3
110.72758	0.6
111.00867	1.7
111.04520	6.5
113.02448	2.5
115.00388	0.6
115.92078	1.7
116.92862	8.2
119.05003	1.1
123.04578	1.1
125.02415	0.7
127.03988	1.9
129.01924	1.4
130.99794	0.8
133.01433	1.2
135.02991	5.8
137.02466	4.7
147.04559	1.4
148.05272	1.5
149.06073	10.7
155.03479	5.1
158.21510	0.5
160.01663	1.7
161.02429	0.8
161.04663	0.7
163.03975	1.0
163.06186	0.8
165.05482	0.8
165.99042	0.7
173.04544	100.0
174.03212	1.9
174.04901	2.6
175.03938	3.6
183.13850	0.9
185.00996	0.9
191.05603	72.8
192.05989	2.0
193.05042	8.1
194.05629	0.6
227.03435	1.3
229.01459	0.6
229.05057	0.6
255.02806	0.7
263.07117	1.1
265.05148	1.4
266.05893	0.8
267.06735	1.0
268.04105	0.6
279.06711	0.8
282.05347	1.5
283.06165	1.6
284.03305	1.7
284.06589	0.7
291.06638	0.8
294.05508	1.0
297.07758	2.4
309.07587	1.3
322.04929	1.0
323.05579	0.8
324.06284	1.1
331.99908	1.3
337.06598	0.8
337.09372	2.4
338.07959	0.9
339.08603	1.2
341.06805	1.0
347.02322	2.5
352.09479	1.6
353.06659	2.5
355.10342	1.9
356.09018	0.9
368.09033	1.2
371.11298	5.0
381.13281	0.8
383.06586	1.3
383.11377	20.8
384.11658	1.5
399.29544	0.7
401.12405	4.9
401.18286	1.7
423.14246	0.6
474.10400	0.6
487.15778	0.8
513.14252	1.4
531.14948	3.0
537.32635	0.8
545.16797	0.9
557.12860	2.6
575.15009	6.8
575.24268	3.5
575.31561	1.1
576.15735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26384	0.7
55.01892	1.0
57.03453	1.2
59.01377	21.1
61.98826	1.6
69.03458	1.1
71.01380	10.2
71.05018	16.2
71.54680	1.1
72.99301	2.3
73.02945	3.8
75.00864	9.1
77.04009	1.0
81.03476	0.9
83.01398	0.8
85.02962	5.7
87.00874	11.8
87.25336	0.8
87.96056	0.7
89.02451	15.1
93.03476	6.0
95.01322	1.1
96.96005	1.4
97.02935	1.4
98.19971	0.7
99.00876	2.7
101.02431	5.7
107.05000	1.5
108.43082	0.7
110.80772	0.7
111.04508	1.1
113.02469	3.4
115.03981	0.6
117.01931	1.4
119.05013	1.1
121.02137	1.2
121.02952	9.4
123.04498	0.8
125.02442	5.4
129.01947	1.0
130.99878	2.1
131.03526	2.2
132.73424	0.7
133.85919	0.7
134.03745	20.2
135.03009	34.9
137.02446	0.9
143.03511	0.8
145.02931	0.9
147.00897	4.3
149.02490	1.0
149.04562	7.3
149.09723	4.3
155.03459	1.5
159.98039	0.7
161.02461	3.4
163.04105	1.4
165.05453	1.2
173.04565	7.2
174.04913	0.7
175.04054	0.9
177.09195	5.4
189.02036	0.8
190.99904	1.1
191.05527	3.6
193.05002	1.4
195.51309	0.7
219.02953	2.2
221.08183	100.0
222.08527	3.7
233.06641	1.2
249.05772	0.8
284.03476	1.6
285.04056	1.1
293.08731	4.9
299.05670	1.4
359.15131	0.9
383.24069	0.8
401.25479	2.6
515.17523	1.1
539.34216	2.4
575.23724	3.0
575.31830	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	575.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55985	0.7
57.03436	1.3
59.01364	3.7
60.82315	0.5
61.98817	0.8
67.01886	0.6
68.99549	3.0
69.03445	1.7
69.63503	0.6
71.01384	3.0
73.02946	1.1
75.00870	0.9
81.03436	1.0
83.05015	3.0
85.02942	3.4
87.00854	3.4
93.03455	10.4
94.26299	0.7
98.19804	0.9
99.00845	0.7
101.02408	1.0
109.02950	1.8
111.03819	0.9
111.04515	9.2
112.98555	2.3
113.02438	1.1
119.04950	0.7
121.02892	0.6
123.04521	0.9
125.02332	0.7
127.03995	0.9
129.01898	1.1
132.50790	0.7
134.03726	0.9
135.02988	4.3
137.02431	2.3
142.54221	0.6
145.02940	0.7
147.04472	1.8
148.05292	0.8
149.06058	2.3
151.03972	1.8
155.03494	11.5
160.01636	1.5
161.02438	1.6
165.12801	4.8
173.04535	22.7
173.06024	1.1
175.03981	1.5
177.31744	0.6
183.13899	12.2
191.03644	1.1
191.05600	10.6
193.04993	4.6
207.08369	0.7
209.06117	0.8
210.06847	1.4
219.02899	0.9
221.06104	1.1
222.06758	0.8
223.07652	0.8
226.06345	1.4
227.12914	5.7
229.05093	0.7
233.06038	0.8
237.05579	3.2
238.06339	4.7
248.04758	0.8
249.05548	2.3
250.06329	4.1
251.07088	2.1
253.05075	1.1
253.08635	2.6
254.05823	2.0
255.02895	1.1
255.06676	0.7
263.03397	0.9
263.07227	1.1
264.04575	1.2
264.07672	0.8
265.04974	2.7
266.05826	2.4
267.02924	2.9
267.06622	1.9
269.08145	1.8
277.05075	1.7
278.05832	3.7
279.06671	5.9
280.06876	0.7
281.04544	1.2
281.08218	1.2
282.05307	10.5
283.05966	1.3
284.03329	0.9
285.07556	1.2
292.07263	1.4
293.04672	1.6
293.08237	2.6
294.05432	7.6
294.08691	1.0
295.05914	1.6
295.09738	0.7
296.06781	0.8
297.07675	15.7
298.08032	1.0
308.06998	1.9
309.04187	1.3
309.07697	6.0
309.10947	0.8
310.04791	2.0
310.07999	0.8
312.09976	6.6
322.04840	7.9
323.05557	4.7
323.09128	0.9
324.06381	6.2
324.09821	1.2
325.07043	2.5
326.04340	1.8
327.12415	2.3
336.06381	3.9
337.07150	28.4
338.04184	2.0
338.07834	8.0
339.08698	7.8
340.09274	1.2
341.06619	7.4
342.06989	0.9
351.08578	3.7
352.09473	12.1
353.06592	23.7
353.10306	3.0
354.06992	1.3
356.08990	12.8
357.09448	1.1
368.08966	8.4
371.11328	58.4
372.11862	3.8
383.11328	100.0
384.11655	5.6
401.12405	8.8
401.18103	5.8
515.24188	0.6
525.64380	0.6
531.14636	0.8
545.16608	1.4
557.13129	2.2
575.16235	17.6
575.24231	7.2
576.17609	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	575.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98830	1.3
69.03452	0.5
71.01382	1.4
71.54343	0.5
77.73526	0.6
85.02946	2.3
87.00867	0.7
91.01923	0.6
91.05565	0.6
93.03442	2.2
96.96020	1.4
101.02425	0.7
106.04189	0.6
107.05022	3.8
108.02177	1.0
109.02937	0.7
111.04526	0.6
113.02418	0.6
117.03452	0.7
119.05015	1.3
120.01235	1.3
121.02922	1.2
123.04559	0.9
131.05020	3.0
132.05800	1.7
133.06598	45.7
134.03796	0.7
134.06923	1.2
135.04532	4.7
137.02409	0.6
139.49442	0.5
147.04495	1.5
149.06052	1.4
152.57288	0.6
155.03545	0.6
161.02406	0.9
163.04050	0.6
165.05576	1.4
173.04555	5.3
177.05566	68.7
178.05894	2.2
179.03491	4.5
182.63135	0.5
185.58337	0.4
191.05568	6.0
193.05014	1.1
205.62047	0.5
221.04546	100.0
222.04819	3.9
227.28490	0.6
237.03984	1.2
353.08688	7.1
559.25116	0.5
575.14117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2884
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.41433	0.4
57.73558	0.4
59.01381	0.8
61.98826	0.7
67.10517	0.4
71.16751	0.9
77.95762	0.4
78.95898	55.9
94.40679	0.4
96.96954	11.8
150.97954	0.4
152.99576	49.7
153.99850	0.5
171.00450	0.5
179.05603	0.9
223.00075	2.5
241.01163	29.1
255.23265	63.9
256.23654	3.2
315.04849	8.0
391.22437	4.3
571.28815	100.0
572.29071	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	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
61.98826	100.0
68.04964	0.2
70.96017	0.2
70.96330	0.2
71.10554	0.2
87.00867	0.4
97.50845	0.2
109.02886	0.2
116.92841	0.9
132.93048	0.2
145.03009	0.2
147.04567	0.2
173.16483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31313	1.1
53.95823	1.0
59.01389	9.7
61.98823	6.9
64.75122	1.0
65.00327	7.1
69.03430	3.1
69.25151	9.5
71.01374	3.5
73.02930	1.6
75.00857	2.3
85.02930	2.9
87.00869	8.0
87.04518	1.7
87.51282	1.2
89.02443	2.6
93.03440	5.3
94.97929	1.6
95.01362	1.2
96.96010	7.1
96.99300	2.0
98.20606	2.1
99.00849	2.2
101.02402	1.9
110.00117	5.5
111.00853	3.6
113.02415	2.7
121.02894	1.3
125.02402	1.6
125.99538	1.7
130.99815	1.1
135.03001	2.6
136.98790	13.4
137.02480	2.5
139.00395	9.9
140.01112	4.0
146.03714	4.5
147.04503	1.6
149.06020	2.5
153.01900	2.2
155.03508	11.1
163.03943	1.2
164.98302	9.2
165.99084	20.7
166.99844	8.2
172.05309	5.5
173.04532	5.0
173.05873	1.5
174.01768	1.6
174.03224	15.7
175.03979	2.1
175.07608	4.3
181.01419	19.7
182.21774	1.1
185.00807	2.2
185.05977	3.5
186.06874	1.5
187.04047	1.3
187.07620	2.9
191.03870	1.4
191.05595	11.4
192.00635	1.4
193.04959	1.6
199.03978	2.8
199.07587	1.6
200.04778	17.6
200.08455	1.4
201.05386	2.7
201.09174	2.0
203.07149	33.8
204.07347	1.3
207.02928	1.2
211.03914	1.1
212.04570	1.4
213.05498	5.1
215.07095	1.4
227.03413	1.6
227.07091	1.8
228.07866	5.4
229.08698	27.1
240.04211	2.7
255.02969	1.9
255.06525	4.7
265.05078	1.4
265.80811	1.3
267.02826	3.0
267.06357	1.2
270.01749	2.4
271.02359	1.5
284.03046	1.2
285.03662	1.3
293.04532	1.4
295.02515	14.2
295.05807	2.2
296.02957	1.9
298.01221	8.6
299.01935	4.2
305.07886	1.6
307.05975	1.4
309.03976	3.5
314.04446	1.8
320.03131	4.2
321.04047	2.9
322.04630	1.4
323.01987	40.1
323.05533	2.7
324.02679	21.7
324.06302	1.3
325.03528	6.9
326.03998	1.5
333.07587	2.1
337.03516	20.6
337.07333	1.8
338.04282	26.3
339.04999	9.2
349.06940	1.9
351.04959	8.6
351.10712	2.4
352.05811	11.9
353.06482	4.9
365.06592	2.2
366.03680	7.4
366.07712	1.9
367.04346	3.4
367.08148	17.7
368.08780	2.8
377.06537	2.6
381.06067	10.1
383.11035	2.0
387.23856	1.4
395.07733	3.3
396.08383	7.5
410.10062	22.2
411.10831	75.2
412.11215	6.3
437.69601	1.1
441.11719	2.2
441.17664	1.6
453.11960	1.4
486.07846	3.5
501.10358	100.0
502.10846	7.3
529.13257	10.8
530.14172	4.6
555.12866	1.4
573.15930	87.6
574.16656	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	571.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
61.98820	2.8
65.00314	1.9
70.85368	0.4
71.01368	1.3
71.02171	0.9
78.29120	0.5
85.02962	0.6
87.00849	2.3
88.98762	0.9
89.02423	0.8
93.03391	0.5
96.99240	0.5
99.04521	0.7
106.00574	1.1
107.01411	0.5
113.02461	0.7
119.05019	0.8
121.02917	0.7
122.00112	0.5
132.02148	0.8
134.00102	0.7
136.98810	1.9
137.02437	1.5
140.47510	0.4
145.02928	1.4
146.03766	0.4
147.04510	4.0
148.05270	0.5
149.06079	0.6
151.00346	0.6
154.04233	1.4
160.98790	1.0
161.02499	0.6
161.09674	0.8
161.99573	3.3
163.00249	0.6
167.48479	0.5
180.05908	0.6
182.03706	1.9
184.05342	0.5
186.03226	0.8
189.99022	1.0
190.99889	0.8
191.03452	1.0
192.00677	1.7
192.04268	1.6
195.04451	0.6
196.05263	0.9
197.05977	0.8
198.03201	1.4
199.07730	0.7
200.08514	0.5
201.09218	0.9
209.06015	0.5
209.09734	1.3
209.11673	0.8
210.03253	1.2
211.03955	0.9
211.11292	1.1
211.13252	0.7
212.04779	0.9
213.05453	0.7
223.03986	1.6
223.11235	1.7
224.04744	1.4
225.05511	0.8
226.02669	9.3
237.05513	1.9
238.02628	2.2
239.03459	2.0
240.04198	2.3
251.03458	1.7
251.10776	1.3
252.04271	3.5
253.05043	1.9
254.02184	8.1
263.03659	0.7
264.04327	1.7
265.04944	1.4
267.02881	0.6
267.10281	1.2
268.03781	1.0
279.02768	1.1
279.10223	2.8
280.03516	0.8
282.01675	14.2
283.02240	0.8
284.03217	0.6
291.06506	0.8
292.07190	0.6
295.02542	0.7
295.09738	9.1
296.03262	6.9
297.03989	19.2
298.04520	0.9
305.07983	0.7
307.02463	1.2
307.09683	5.8
308.03235	12.5
308.06851	0.7
309.03995	33.2
310.04376	1.9
311.05533	3.0
321.04056	0.6
323.05557	7.0
323.09247	6.8
324.09485	0.7
334.08389	2.1
335.05820	0.9
335.09280	3.2
336.06369	1.7
337.07266	1.7
350.07803	0.8
351.08688	42.7
352.09406	10.7
353.10367	0.8
365.09802	0.6
366.10941	1.2
367.11807	84.9
368.12134	5.5
381.09610	0.7
527.69403	0.5
556.15790	48.0
557.16180	4.7
571.18146	100.0
572.18378	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.45822	3.0
74.50810	0.4
76.51150	0.4
78.12900	0.3
88.47225	0.4
116.92846	0.6
137.02490	0.5
145.06377	0.4
152.57901	0.4
238.28993	0.4
294.34464	0.4
368.08325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.37218	1.7
56.01602	1.5
57.03466	1.7
59.01375	28.6
61.98823	3.5
71.01377	19.8
71.54086	3.0
73.02949	11.1
73.85314	1.6
75.00882	1.8
78.95905	2.1
83.01389	9.3
83.05017	2.2
83.85062	1.7
85.02946	9.6
87.00871	13.6
88.98809	2.9
89.02443	5.1
93.03457	19.7
96.96019	15.7
96.96978	2.1
98.56859	1.5
99.00886	11.9
101.02430	12.2
108.02109	2.2
109.02976	3.9
111.00891	2.7
111.04517	3.0
113.02466	5.2
117.03454	5.3
119.05017	20.1
121.02962	3.4
123.04506	2.9
124.01630	1.8
125.02454	4.6
128.03584	2.0
129.01955	1.9
130.04222	2.6
131.05003	8.3
132.05824	8.6
133.02930	3.5
133.06618	13.6
134.03722	2.2
135.04547	3.3
137.02396	2.0
143.05019	4.6
145.02960	6.8
145.06577	9.4
147.04532	37.8
148.04991	2.3
149.06085	16.8
152.33430	1.7
157.06578	5.3
159.04523	5.3
160.05292	4.0
161.02499	4.3
161.04691	2.1
161.06026	10.2
163.03996	4.0
163.07669	3.4
165.04172	2.3
165.05569	7.9
172.05348	1.7
173.04515	4.4
173.06049	10.1
174.03166	2.1
175.04004	10.5
175.07669	8.9
177.05568	23.8
179.10828	2.1
180.04349	2.5
187.03992	7.1
188.04837	3.5
189.05560	18.1
191.05588	6.0
191.07169	7.2
193.05029	8.4
199.07628	4.0
200.04814	2.2
201.05565	13.0
203.03490	5.8
205.05038	7.3
213.05547	2.1
216.08163	1.6
217.08621	4.9
219.06630	13.9
221.04552	100.0
221.06445	4.0
222.04944	3.6
243.06624	10.2
263.05554	25.5
269.04431	1.7
279.06528	1.7
290.09088	1.9
297.07608	2.2
315.08777	5.4
323.48065	1.9
337.36923	1.6
351.12186	1.7
423.12888	5.3
435.12753	1.7
465.13663	7.6
467.11874	4.1
483.14865	10.2
485.12863	4.7
527.13904	39.0
528.13953	2.1
535.12494	2.2
571.19818	10.2
572.18982	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	569.1891
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
52.04208	0.5
57.03440	0.7
58.00591	0.7
59.01368	6.2
61.98827	1.4
68.99781	0.6
71.01379	4.4
71.53392	0.7
72.99291	2.0
73.02956	0.6
75.00866	4.5
77.08457	0.7
80.04031	0.6
83.01382	1.3
85.01017	4.5
85.02946	2.4
86.15159	0.5
87.00850	2.2
88.98801	3.3
89.02419	2.0
91.99671	0.6
95.01347	1.1
96.96027	2.9
96.96948	1.0
98.00106	0.7
99.00870	1.4
99.08130	0.8
101.02421	2.7
103.00333	1.8
111.00861	0.8
112.98798	5.3
113.00476	0.6
113.02450	3.6
113.99062	0.6
115.00372	1.9
115.02093	0.7
124.98820	0.6
125.02343	0.9
135.94502	0.7
139.04749	0.6
143.05180	1.8
145.01410	10.6
145.02603	0.8
145.03069	1.3
149.06050	2.1
157.01399	2.2
157.03091	0.6
161.08220	0.9
180.10968	0.6
187.04143	1.5
187.07809	2.1
193.05232	0.7
223.85797	0.6
237.04034	1.3
259.92404	0.6
263.05811	1.2
333.06271	1.8
349.13092	10.7
363.14606	1.5
389.12534	0.8
391.14148	1.2
421.11755	1.6
433.15228	1.1
477.14053	0.8
537.16650	1.1
569.18921	100.0
570.19318	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	569.189
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01863	0.5
57.03434	0.8
59.01380	6.3
61.98810	0.9
62.05185	0.4
64.23216	0.4
68.99805	0.4
70.75009	0.4
71.01382	5.5
71.53438	0.4
72.99294	2.0
73.02926	0.7
75.00871	4.3
75.02581	0.6
78.95948	0.4
83.01361	1.9
85.01026	3.7
85.02959	3.4
87.00874	2.0
88.98817	2.1
89.02443	2.3
93.03440	0.4
95.01358	0.5
96.96005	1.2
98.00098	0.5
99.00878	1.7
99.04485	0.5
99.08148	1.2
101.02431	3.5
103.00361	2.3
111.00818	0.6
112.04015	0.4
112.98817	5.1
113.02459	3.7
115.00346	1.4
115.02081	1.4
117.01971	1.2
119.03464	0.7
121.02908	0.6
123.04512	0.5
124.98785	0.5
125.02421	0.5
127.02082	1.0
129.01912	0.9
129.03551	0.4
131.03526	0.5
133.06563	2.8
136.01703	0.4
142.99857	0.6
143.03482	0.5
143.05202	2.7
145.01427	10.4
145.03102	1.3
147.04486	0.5
149.06036	0.6
151.03993	0.6
157.01413	1.5
157.03040	0.6
157.06609	0.4
159.04593	0.7
163.03975	0.8
165.01807	0.5
169.03044	0.5
169.06717	0.6
171.01094	0.6
175.02426	0.5
177.05533	3.3
184.99052	0.5
187.02402	1.1
187.04156	1.2
187.07814	1.4
191.05551	0.6
193.05000	1.0
201.05528	2.3
205.05154	1.1
221.04546	4.3
241.08739	0.6
247.06404	0.6
259.09790	1.0
263.05692	1.0
331.11938	0.9
333.06326	2.1
347.07953	0.8
349.13089	12.2
350.13480	0.6
363.14627	2.0
391.13971	1.4
421.11542	1.8
425.11230	0.5
433.15546	0.4
449.14572	0.5
532.60138	0.4
537.16241	0.7
545.97186	0.4
569.18951	100.0
570.19403	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	568.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.1
59.01377	1.6
61.98829	100.0
69.84998	0.4
69.85426	0.6
71.01398	0.5
72.46877	0.1
73.02961	0.3
85.02949	0.4
87.00900	0.7
87.04467	0.3
89.02462	0.2
98.19949	0.2
101.02496	0.2
113.00098	0.2
121.02910	0.2
133.02968	0.2
137.02475	0.2
146.03737	0.2
147.04510	0.3
175.04028	0.2
193.04794	0.2
243.10405	0.2
284.03510	0.2
298.68021	0.2
397.11075	0.2
504.33490	0.2
508.35281	0.3
509.26028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
59.01380	2.7
60.01709	0.1
61.98829	100.0
70.82381	0.3
71.01373	1.0
72.99324	0.2
73.02937	0.3
80.72569	0.1
82.40054	0.1
85.02962	0.6
87.00872	1.8
89.02467	0.4
93.03471	0.3
95.01376	0.2
96.96037	0.4
97.96552	0.2
101.02450	0.6
109.02974	0.2
113.02454	0.6
119.03510	0.2
119.05045	0.5
121.02962	0.2
131.05052	0.2
135.04494	0.2
137.02434	0.8
137.06082	0.6
145.02972	0.5
146.03693	0.5
147.04533	2.0
148.04999	0.6
149.06116	0.5
160.01703	0.2
161.02420	0.3
163.04044	0.5
164.04681	0.2
173.04567	0.2
175.03961	0.2
181.05077	0.3
189.01978	0.2
190.02739	0.2
191.03500	0.7
192.04175	0.4
193.05067	0.5
207.03082	0.2
235.02419	0.4
236.02905	0.3
251.01971	0.2
269.03030	0.2
279.06531	0.2
280.37228	0.2
284.03217	0.4
295.09320	0.2
299.05624	0.2
344.08597	0.5
345.09036	0.5
346.09137	0.3
426.08112	0.2
463.07669	0.2
465.29910	0.2
478.10071	0.4
507.35382	1.2
508.35803	0.2
537.19348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75972	0.5
55.01851	1.8
57.03440	2.0
58.31662	0.6
58.60923	0.6
59.01380	15.6
61.98829	6.8
69.03422	0.8
70.45203	0.8
70.45547	1.3
71.01379	27.7
71.01780	1.3
72.99289	2.6
73.02550	1.0
73.02943	14.0
75.00861	3.3
83.01377	4.1
85.02944	13.7
86.00087	0.6
87.00874	3.8
89.02443	7.7
93.03458	0.5
95.01357	1.7
97.02946	2.0
98.20641	0.7
99.00869	6.0
101.02435	24.0
105.01928	10.5
111.00862	1.1
113.02445	11.4
115.03992	0.8
123.04522	0.6
125.02443	2.9
129.01907	1.2
130.99843	0.6
131.03496	1.3
137.02478	0.8
143.03465	1.5
143.04526	0.6
145.02933	1.1
145.72543	0.5
146.03664	0.7
147.04485	1.6
147.94403	0.6
149.04597	0.7
149.06033	1.7
152.99600	0.6
159.02927	1.7
161.02423	1.5
161.04552	7.1
165.04021	2.8
165.05486	1.4
173.04477	0.7
193.04976	1.3
195.06602	0.7
195.82477	0.5
201.05391	0.5
219.02937	0.6
227.10712	0.6
233.06566	1.2
235.02315	0.6
293.08453	1.5
317.19662	1.1
333.09833	1.2
370.14279	0.6
375.23901	9.1
417.14474	0.6
435.14789	0.6
468.96732	0.6
507.28043	100.0
508.28439	8.1
531.09277	0.6
567.13837	0.6
567.26025	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	567.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27994	0.6
59.01379	3.3
61.98838	1.9
65.03977	0.5
68.99816	0.7
70.67599	1.0
71.01386	2.4
75.00875	0.9
85.02950	3.2
87.00875	1.6
89.02447	1.9
91.05555	2.3
93.03462	1.6
95.05013	1.3
96.96021	1.5
99.00836	0.7
101.02430	1.6
103.05539	0.8
105.03458	2.3
106.04212	1.0
107.04967	0.7
108.02167	3.0
109.02935	4.5
110.00122	2.1
111.00887	1.6
113.02463	1.9
119.05031	4.8
121.02959	5.6
121.06583	1.4
122.03773	1.4
123.00831	0.8
123.04517	2.0
125.02433	2.0
129.03465	1.9
130.04193	1.0
131.05032	2.7
131.07130	0.9
133.02934	0.6
134.03743	2.4
135.04529	0.7
137.02451	1.8
137.99573	1.5
139.00363	3.2
140.01176	1.4
145.02974	4.0
146.03664	1.7
147.03560	0.5
147.04515	21.7
148.05284	6.4
149.06071	93.8
150.03168	1.3
150.06415	3.3
152.01151	0.8
153.01936	14.7
154.02718	2.5
154.69255	0.7
155.03493	2.6
163.03987	1.1
163.07594	0.8
165.01923	1.4
165.04176	1.4
165.05473	1.5
166.34409	0.6
168.04283	2.1
173.04543	2.4
173.05923	0.7
174.03181	0.6
174.58821	0.6
175.03969	10.1
175.12476	0.7
181.01343	0.8
182.78854	0.6
182.99376	0.7
191.03502	2.3
191.05595	1.5
193.05038	100.0
194.05365	4.3
195.06856	1.0
197.04533	0.9
205.05022	2.0
205.54829	0.6
207.06651	0.8
214.27127	0.6
217.01431	3.7
218.02142	4.2
219.02960	25.7
220.03326	1.3
223.06178	0.6
235.06078	4.1
237.04034	22.5
241.36966	0.6
302.25229	0.5
302.71301	0.5
317.08530	0.9
329.11426	0.7
355.10150	0.9
387.07159	6.3
393.12350	0.8
403.08640	1.0
405.08209	18.9
406.08514	1.4
435.14807	1.0
461.12500	1.0
462.12082	0.6
505.11575	0.8
519.60382	0.7
535.11359	1.0
567.13379	22.7
567.21893	3.5
568.13513	2.6
568.21710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
56.81318	0.4
57.03440	0.4
59.01377	7.8
61.98825	3.1
66.03899	0.3
67.87418	0.4
69.42516	1.4
69.42942	1.3
71.01373	2.7
73.02946	0.8
75.00861	0.5
83.01377	1.0
85.02944	1.8
87.00876	1.1
89.02457	0.9
93.03462	0.6
101.02438	2.1
105.03449	0.8
113.02464	1.7
117.03428	0.5
121.02917	0.7
132.01370	0.3
132.02167	13.0
133.02977	4.4
134.03740	15.2
135.04630	0.8
137.02441	1.4
139.40424	0.4
145.02959	1.3
146.03745	2.4
147.04523	1.8
147.18578	0.4
149.06100	2.6
160.01654	69.9
161.02090	3.4
165.03969	0.5
173.04562	0.4
175.03993	78.9
176.04326	3.1
177.01979	0.5
178.02655	0.9
179.03493	1.2
187.04025	0.5
189.01903	0.5
191.03468	0.4
193.05048	14.2
194.05405	0.6
209.06165	0.4
219.03018	0.4
234.01591	0.7
249.09349	0.4
251.07182	0.6
253.05089	1.0
263.07205	0.4
264.04315	0.5
265.05084	1.5
265.08511	0.9
275.07111	1.3
277.05243	0.5
278.05835	1.2
279.06580	2.6
280.07031	0.5
291.06717	1.2
292.07645	0.9
293.08182	3.5
294.08896	2.0
319.06195	0.6
323.05557	0.5
337.07150	0.9
338.04309	0.7
338.07971	1.0
349.04044	0.6
359.10590	0.5
363.05429	0.5
364.05811	1.7
400.24149	0.5
408.04697	1.5
434.02689	0.9
507.34732	0.6
523.12347	0.6
549.10382	2.0
552.25757	1.0
567.28033	100.0
568.19580	0.4
568.28326	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	567.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54405	0.6
53.55661	0.8
57.03448	0.9
59.01379	12.2
60.99304	17.4
61.98819	3.5
71.01395	4.3
71.54402	0.8
83.01386	1.2
85.02942	3.2
87.00867	1.7
88.98803	100.0
89.02439	1.4
93.03473	1.4
96.96038	1.5
99.00893	1.3
101.02442	2.7
113.02450	2.1
117.03458	0.9
119.05022	1.9
121.02954	1.2
123.04514	0.8
125.02489	1.0
129.01927	0.8
135.04546	1.5
137.02400	2.1
141.05252	0.8
145.01834	1.2
145.02898	6.5
146.03740	12.3
147.02934	1.0
147.04510	9.6
148.05280	1.1
149.04475	0.8
149.06065	3.5
151.00439	0.9
159.04494	1.4
160.01715	0.9
161.02472	1.8
163.03998	1.4
165.04039	3.2
173.02347	1.4
173.04529	2.1
175.02493	0.8
175.04005	3.0
182.02161	0.8
187.04028	2.3
189.01927	2.1
190.02722	1.7
191.03529	1.3
191.05525	1.2
193.05017	2.3
199.03990	1.0
209.06041	1.0
211.04123	1.0
219.02917	2.1
223.07571	1.1
225.05609	1.4
227.03526	1.6
234.01651	4.6
235.02371	1.6
237.03842	1.0
237.09178	1.1
240.04475	1.1
241.08514	0.9
243.02991	1.5
247.07657	1.3
249.05644	1.6
249.09149	1.0
250.06357	0.9
251.03650	1.1
251.07112	1.9
253.04999	2.3
255.02974	6.2
258.10324	0.8
261.05612	1.1
263.07175	1.9
265.05081	5.2
265.08655	2.6
266.05804	1.3
267.06647	1.6
271.02457	10.3
272.03278	0.9
275.07101	3.3
276.07864	1.7
277.05011	1.5
278.05859	4.8
279.06534	8.4
284.03195	1.8
291.06610	5.0
292.04343	0.7
292.07404	3.2
293.04883	0.8
293.08130	15.7
294.08878	5.8
298.98935	0.8
299.02109	3.4
299.05453	1.3
300.02728	39.3
301.03027	1.7
304.62259	0.8
305.04446	1.1
311.05594	0.8
315.05099	31.4
316.05359	1.2
319.06039	2.7
320.06888	3.5
323.05579	2.7
336.06134	1.6
337.07074	3.1
338.07974	2.7
349.03500	1.3
363.05069	2.7
364.05856	5.5
382.06915	2.0
387.08289	1.0
391.26944	1.2
392.27368	2.7
407.04218	1.6
408.04953	6.1
417.13492	1.2
426.05624	1.7
434.02618	2.1
435.14795	1.1
461.12460	2.2
470.04880	1.8
477.10364	49.1
478.10898	4.2
479.12701	0.8
503.84677	0.9
505.11404	1.5
506.34076	3.4
507.34213	2.3
523.12457	1.5
524.34924	1.1
531.09076	1.2
549.10260	9.3
566.33191	2.7
567.11401	5.2
567.24487	8.0
567.33282	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	565.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03448	7.9
58.00584	0.9
59.01377	43.9
60.01698	1.0
61.98826	12.9
66.42191	0.7
69.03460	1.4
69.12688	0.7
71.01379	34.7
72.01713	1.3
72.99303	2.9
73.02943	18.7
74.03286	0.7
75.00867	14.3
83.01380	6.7
85.02942	21.3
86.03307	1.2
87.00869	4.5
88.98795	4.7
89.02437	12.4
93.03455	2.5
95.01368	2.3
96.95998	5.9
97.02956	1.5
99.00881	7.2
99.04494	0.9
101.02431	30.4
109.02986	1.4
111.00877	2.0
113.02446	14.5
115.03988	1.2
117.01914	0.7
117.03495	0.9
119.03502	1.8
119.05025	2.1
121.02958	1.5
123.04526	0.8
125.02438	2.4
129.01935	4.9
129.47881	0.7
131.03477	1.5
133.02916	0.8
134.03714	1.7
135.04568	1.1
137.02428	1.1
139.00360	1.0
143.03577	1.4
145.02951	2.7
147.02986	1.8
147.04544	3.3
149.02431	0.9
149.04573	2.1
149.06068	2.2
151.00311	1.2
159.02946	1.7
159.04681	0.8
160.01634	2.1
161.02461	1.8
161.04527	8.1
163.03983	1.1
164.04857	0.8
165.04033	32.0
165.05406	1.5
173.04576	3.1
173.05942	0.9
175.03951	2.6
189.05417	0.7
190.02716	1.0
191.01921	1.4
191.05598	2.3
193.05095	2.7
197.18515	0.8
219.03027	1.1
228.87679	0.8
233.06624	1.1
235.06122	1.1
261.05591	0.9
271.05954	1.1
293.08554	1.0
301.07135	0.8
302.07971	0.9
309.07736	0.9
317.10446	2.9
342.14215	0.9
343.14908	1.4
343.21304	1.3
347.11371	1.0
361.16788	1.0
361.22388	2.3
373.22263	9.3
373.26187	1.0
374.22699	0.7
391.13962	1.6
417.20963	4.2
461.10736	1.2
480.39474	0.8
505.20676	4.1
505.26617	100.0
505.33728	10.5
506.26920	7.1
521.26019	0.9
523.34723	3.6
529.26367	1.7
565.15448	0.9
565.25269	4.0
565.32739	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03444	3.6
58.00592	2.8
59.01379	85.8
60.99297	1.4
61.98837	14.5
66.63332	1.1
68.99821	1.3
69.03443	1.1
71.01381	57.1
71.54305	1.3
72.99304	4.3
73.02949	19.9
75.00873	17.2
81.03447	1.3
83.01395	3.1
84.97555	1.3
85.02951	13.4
87.00871	8.3
88.98796	8.0
89.02444	100.0
93.03445	8.2
95.01385	2.4
96.96031	1.8
97.02975	1.9
99.00874	31.3
101.02441	36.6
106.79064	1.4
113.02460	13.6
115.03913	1.2
117.49818	1.2
119.03535	5.7
119.05012	7.6
120.16611	1.0
121.02898	1.5
122.03745	1.8
125.02422	5.9
129.01947	6.5
131.03493	15.5
133.02939	2.5
134.03743	2.7
135.04466	1.3
137.02452	1.3
143.03485	1.9
145.02950	3.5
146.03719	1.5
147.02977	1.6
147.04501	4.2
149.02580	2.3
149.04550	70.9
149.05891	2.9
150.03201	7.1
151.00345	2.0
153.01863	1.3
157.06534	1.3
160.01649	5.6
161.02458	5.6
161.04538	4.0
163.00342	1.2
163.04018	6.9
164.04729	1.3
165.01860	3.1
165.04066	41.2
165.05521	7.2
171.04614	1.8
173.04611	6.8
173.05861	1.1
175.00346	3.1
175.03995	11.4
180.04280	2.0
186.03198	1.1
191.03772	1.9
191.05592	17.0
191.07185	2.2
193.05069	4.8
195.06618	4.7
199.03987	1.3
215.03467	1.6
219.02997	3.5
221.06584	6.9
223.06155	3.3
225.07642	1.5
227.07150	6.9
239.10782	2.6
243.02950	4.7
251.07732	9.8
255.02971	7.2
270.01697	2.6
271.02490	25.8
271.05426	1.8
272.02798	1.9
293.08856	1.7
295.05679	1.4
300.02759	30.8
301.03271	3.4
311.09866	3.5
313.07144	2.2
333.32281	1.2
343.08081	1.9
361.16672	2.0
369.11874	11.3
391.26859	4.2
397.09592	1.4
403.15839	1.4
445.10721	1.6
505.26550	83.2
506.26752	5.3
565.11713	31.4
565.21887	4.1
565.31927	4.6
566.12836	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	565.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92179	0.3
55.01880	0.6
56.97377	0.3
57.03462	0.4
59.01377	10.3
61.98825	2.5
69.28529	2.3
71.01378	3.9
73.02928	1.5
75.00854	1.2
80.36899	0.3
83.01382	0.8
85.02944	2.6
87.00868	0.9
88.24751	0.3
88.98782	0.4
89.02438	0.8
89.03975	0.3
93.03481	0.4
95.01366	0.5
96.95979	0.3
97.02946	0.3
99.00909	0.7
101.02431	3.1
105.03465	0.5
109.02929	0.5
113.02435	1.7
117.03457	0.7
119.05076	0.3
121.02975	1.3
124.91190	0.3
125.02460	0.9
129.01932	0.3
129.95094	0.3
132.02167	12.7
133.02968	3.6
134.03738	12.9
135.04518	0.4
137.02425	1.3
139.04056	0.4
139.55740	0.3
147.04521	0.6
149.06068	3.0
149.45526	0.3
160.01653	67.6
161.02055	2.3
161.04552	0.5
165.04074	1.7
175.03990	79.0
176.04317	2.3
177.01950	0.8
177.05574	0.5
178.02740	0.7
179.03465	1.3
193.05045	9.8
193.06825	0.6
200.11198	0.3
200.89799	0.3
240.32764	0.3
265.05063	0.3
361.29443	0.5
445.09277	0.3
489.07608	1.7
505.33740	6.0
523.34540	2.1
550.24188	1.0
565.26477	100.0
566.26898	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	565.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20073	0.9
54.57154	1.0
59.01371	11.3
61.98821	4.5
64.70544	1.0
69.40114	3.4
69.40542	3.5
71.01370	1.7
73.02954	0.9
79.05531	0.9
87.00867	62.5
91.05518	1.9
93.03427	1.2
95.05015	1.9
105.03466	2.5
105.88267	1.1
108.02157	1.4
111.03592	0.9
119.05015	3.6
121.02952	7.8
122.03726	17.9
123.04517	9.2
130.99849	36.0
131.86760	1.1
137.02444	7.6
139.04005	2.6
146.03749	2.5
147.04514	24.3
148.05368	5.5
149.02440	5.3
149.06136	4.9
154.02693	3.6
163.03981	2.7
164.04787	3.5
164.74692	1.1
165.05605	2.8
167.14343	1.6
181.44426	1.1
183.13890	2.2
191.03513	4.9
192.04256	7.3
193.05057	2.7
194.02162	2.8
195.02917	1.1
195.13904	3.7
211.13388	2.4
218.02164	3.0
254.01616	1.7
254.04283	25.9
255.04800	2.2
266.24295	1.0
293.21207	2.9
309.20432	1.6
311.22260	22.5
312.05347	1.0
312.22562	1.6
344.33423	1.0
441.51654	1.1
529.24237	1.6
543.22498	1.1
565.26538	100.0
565.39258	8.6
565.71356	2.2
566.26904	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	565.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00690	0.4
55.01870	0.7
57.03447	1.1
59.01378	20.8
59.60385	0.3
60.01698	0.6
61.01818	0.6
61.98825	5.7
69.31046	1.0
69.31453	1.8
71.01383	7.4
72.99284	0.4
73.02934	2.5
75.00868	0.5
83.01382	1.6
84.26235	0.4
85.02950	4.8
85.06591	0.7
86.03313	0.5
87.00877	1.2
88.98805	0.5
89.02455	2.3
89.03930	0.5
93.03464	0.4
95.01402	1.0
96.95996	0.9
99.00829	0.9
99.38766	0.4
101.02444	4.2
102.02744	0.4
105.03453	0.6
105.58018	0.4
109.02969	1.2
111.00879	0.8
112.40333	0.4
113.02454	2.8
117.03467	1.4
119.05048	0.6
121.02907	1.0
122.03709	0.6
123.04551	0.7
124.01564	0.4
125.02431	0.8
132.02165	12.8
133.02986	3.4
134.03740	15.5
135.04556	2.4
137.02415	1.4
145.02917	0.5
147.04471	0.9
149.04599	0.6
149.06064	2.9
150.03207	0.4
160.01653	68.1
161.02190	2.4
161.04552	0.8
165.04041	0.7
173.04543	0.6
175.03993	78.0
176.04369	2.1
178.02698	0.9
179.03485	1.2
193.05046	13.5
194.05418	0.5
218.74181	0.4
233.06540	0.5
269.93033	0.4
271.09735	3.5
291.06732	0.9
292.07257	0.4
354.89285	0.4
361.29568	0.7
399.23712	1.1
426.27029	0.5
503.31976	0.7
504.32516	1.6
505.33395	11.4
506.33679	0.6
523.34448	4.0
550.24078	1.2
565.26483	100.0
566.26941	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	565.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03434	1.7
58.00587	0.6
59.01377	14.5
61.98827	5.7
67.06869	0.5
71.01373	7.5
71.54765	0.5
72.99311	0.9
73.02937	2.1
75.00878	0.9
83.01383	1.5
85.02953	8.0
86.03288	1.0
87.00871	8.4
88.98799	1.5
89.02431	2.8
91.05571	0.5
93.03459	1.2
95.01360	1.0
95.05059	0.5
99.00870	1.0
101.02445	3.9
105.03465	0.7
108.02198	0.4
109.02936	1.3
113.02465	3.2
117.03433	1.0
119.03523	0.8
119.05016	0.9
122.73641	0.5
123.04560	0.6
125.93037	0.5
129.01929	0.8
129.03452	0.7
130.99834	0.6
132.02159	15.3
133.02977	3.9
134.03740	14.2
135.04521	0.9
137.02458	2.2
145.02974	0.8
146.03719	1.3
147.04512	7.2
148.05048	0.5
149.04816	0.7
149.06044	3.9
160.01648	75.8
161.02089	2.5
163.04022	0.8
164.04742	0.8
172.05270	1.0
173.04576	0.6
173.05981	0.8
175.03989	85.7
176.04321	2.9
177.01880	0.9
178.02745	1.1
179.03497	1.4
179.05577	0.4
184.86070	0.4
187.03964	0.5
187.07593	0.4
188.04819	0.6
189.05510	0.9
190.06294	0.7
191.01926	1.5
191.03545	1.1
192.04243	0.4
193.02379	0.6
193.05040	14.5
197.74374	0.4
201.05557	1.3
204.33160	0.5
209.02930	0.5
209.11760	0.8
225.09142	0.5
234.17061	0.6
284.03387	0.7
291.06598	1.3
292.07568	0.6
313.14645	0.5
313.82080	0.4
314.04346	0.9
315.15933	0.8
335.05692	0.7
341.17374	1.1
359.18561	0.5
367.49432	0.5
380.05612	0.7
461.31506	1.0
476.72250	0.8
479.31992	0.7
498.72073	1.2
505.33731	5.6
521.21307	0.7
523.34747	1.3
543.71594	0.9
550.24469	0.6
564.70447	0.8
565.26538	100.0
565.35083	6.5
566.26831	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	565.2293
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
51.22625	0.4
54.24019	0.5
55.01875	2.0
57.03452	3.3
57.45399	0.5
58.00592	1.5
59.01379	47.1
60.99303	0.5
61.98828	19.2
63.02401	1.3
65.00329	2.2
67.01884	0.5
67.43777	0.6
69.03458	1.2
71.01381	21.8
71.54492	0.6
72.99307	3.0
73.02944	7.5
75.00876	3.0
81.03438	0.6
83.01376	6.2
85.02953	14.9
85.03472	1.1
86.00113	0.7
86.03292	0.6
87.00884	6.2
88.98763	1.0
89.02447	8.6
93.03446	5.5
95.01402	3.3
96.95996	3.3
97.02959	1.3
99.00899	3.9
101.02440	10.3
103.00379	0.6
107.01389	4.1
108.02184	1.1
109.02972	4.7
111.00893	1.5
111.04506	0.6
113.02445	11.3
113.03165	1.0
113.06041	0.5
113.06821	0.5
117.03455	0.7
117.85443	0.5
119.03518	1.4
119.05033	10.5
120.28208	0.5
121.02959	10.4
122.03734	8.5
122.04539	0.8
123.00921	0.9
123.04529	2.0
124.01655	1.6
125.02491	2.9
129.01927	0.9
129.03458	0.9
131.03461	1.2
132.02191	1.6
133.02950	0.8
133.06538	0.6
134.03740	4.0
135.04489	3.1
136.01694	0.7
136.05298	1.0
137.02477	3.8
138.02998	0.5
143.03542	1.4
143.04968	0.8
145.02957	2.1
146.03725	1.5
147.03287	1.1
147.04539	8.7
148.05313	0.9
149.04796	1.0
149.06088	4.9
150.03271	0.8
150.06483	0.6
151.00371	13.7
151.04036	0.6
154.02716	1.7
159.04443	0.9
160.01686	5.9
160.05324	0.7
161.02417	1.9
161.04555	1.7
161.06073	4.7
162.06845	1.9
163.04008	2.3
163.07619	0.9
164.04749	0.9
165.04056	6.1
165.05571	17.8
173.04539	2.7
173.06046	1.3
175.04034	6.6
175.07655	1.4
176.04784	2.1
176.08424	1.1
177.01953	2.5
178.02521	0.5
179.03485	0.5
179.05701	0.8
179.07146	5.5
181.05032	0.5
188.01903	0.6
190.02710	1.3
191.01917	0.7
191.05579	0.7
191.07156	4.1
192.07690	0.7
193.05042	6.5
194.05418	0.7
205.05040	1.0
205.08728	0.6
207.06601	1.2
219.02977	2.1
223.05994	0.6
227.07144	1.5
235.06079	6.4
255.02757	0.5
265.07272	2.3
269.04510	1.4
270.04947	1.7
271.06128	17.7
272.06467	1.5
273.05573	0.5
283.09836	0.7
284.03113	0.8
295.08273	2.3
298.12054	2.0
299.18625	0.6
307.05844	0.6
313.14490	4.8
315.12338	0.7
316.13101	0.7
317.19687	3.1
328.13126	3.4
329.13843	1.4
331.15555	0.9
343.15506	8.0
346.14249	6.5
347.15012	1.3
361.16559	43.0
361.29346	1.0
362.16934	3.4
373.22003	0.7
389.13840	0.8
389.18130	1.4
391.26938	0.8
391.58481	0.6
417.21024	0.7
445.19193	0.6
475.19489	1.5
477.12067	0.7
505.20721	100.0
505.33624	9.2
506.21039	8.9
521.26465	0.9
523.21838	41.5
523.33459	3.1
524.22235	3.5
565.15027	18.8
565.22931	3.5
565.34418	1.2
566.16113	1.7
592.65735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
57.67495	0.4
57.86172	0.4
59.01377	32.7
61.98830	4.5
64.73898	0.4
68.99807	0.4
69.03439	0.6
71.01379	3.5
71.48415	0.6
72.41275	0.4
73.02933	1.3
75.00871	0.5
79.99054	0.6
83.01395	0.7
85.02942	5.9
86.03293	0.6
87.00883	4.4
88.98807	1.6
89.02455	1.0
93.03439	0.9
101.02437	1.2
113.02453	1.7
115.92078	0.5
121.03033	0.4
122.71025	0.4
128.09282	0.4
129.01936	0.6
132.02118	0.4
133.02979	0.5
137.02441	0.7
141.03433	0.6
145.02896	0.5
146.03702	0.7
147.02988	0.6
147.04515	1.3
148.35606	0.4
149.06036	0.8
150.05640	0.7
158.03711	0.6
159.04546	0.8
160.01660	0.9
161.02414	0.6
161.04515	0.9
161.05943	0.4
166.02603	0.6
169.02959	1.5
173.04549	0.6
175.03999	1.1
177.12854	0.7
181.05042	0.8
185.02386	2.0
186.03133	0.7
188.04659	0.5
190.99944	0.5
191.01910	1.8
191.05457	0.4
193.04996	0.5
197.02391	1.3
197.05994	0.5
198.03188	0.6
201.05440	0.5
209.03012	1.2
213.01917	5.1
214.02699	2.0
215.06960	0.6
221.19092	3.4
225.01761	0.7
226.02800	2.4
241.01392	5.4
241.05096	0.7
254.02173	0.8
255.02879	0.4
265.18069	1.8
265.52957	0.4
269.00900	8.9
269.04108	0.6
270.01596	1.4
282.01761	0.5
283.19284	1.9
285.03986	0.4
297.00366	1.8
297.14944	0.5
298.01169	8.4
301.20197	3.4
313.03513	18.5
314.03925	1.1
327.05136	0.7
328.05844	12.1
329.06281	0.8
331.24817	0.8
341.17709	0.6
342.17938	0.4
343.08194	100.0
344.08600	5.7
388.25735	0.4
432.06949	2.3
460.06458	18.5
461.06845	1.2
461.31482	0.7
475.08759	30.1
476.09073	1.9
490.11121	13.6
491.11591	0.9
505.13547	4.5
505.33722	2.7
533.26105	0.6
534.20941	0.6
543.22162	0.8
549.72614	0.6
565.20990	1.0
565.28467	7.5
565.35791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0477
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
62.96405	0.6
69.65871	0.6
69.66280	0.9
78.95901	100.0
96.96042	5.1
96.96956	36.9
111.01993	8.6
120.96976	1.5
126.81303	0.3
137.56070	0.3
138.98019	3.5
142.41579	0.3
150.98016	3.3
157.49889	0.2
158.92526	13.8
164.03534	0.4
168.98975	0.3
174.97983	1.1
175.21257	0.3
176.93596	1.1
192.72852	0.3
192.99020	1.6
211.00114	4.8
230.14577	0.3
240.37540	0.3
241.01160	8.9
242.01334	0.3
264.16180	0.3
272.95682	5.5
280.02200	2.1
305.01654	1.2
320.97803	2.1
323.02820	57.4
324.03094	2.1
378.81113	0.9
379.80948	0.5
380.80942	1.4
384.98361	4.1
402.99268	1.3
420.82162	1.5
421.82141	0.9
422.81946	1.8
564.83234	1.0
565.04724	27.5
565.82819	0.4
566.05280	1.9
571.03925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35786	0.4
59.01379	5.1
61.98818	2.8
65.00333	0.9
66.26163	0.5
69.03430	0.4
71.01396	1.7
71.24551	0.4
72.99297	0.4
73.02953	1.2
75.00877	4.4
83.01396	0.8
85.02973	1.5
87.00850	0.6
89.02464	1.5
93.03469	1.4
98.20663	1.5
99.00922	0.5
101.02460	1.2
104.15974	0.4
107.01380	1.1
108.02184	1.2
113.02509	0.6
113.99538	0.4
116.87988	0.5
121.02941	2.3
122.03747	1.3
129.01941	0.8
133.03021	1.0
135.00862	0.6
135.04532	0.5
137.02385	0.5
147.04482	0.9
148.01721	0.9
149.06087	0.7
150.03226	1.2
151.00385	4.8
160.01665	2.1
161.02423	1.9
163.00359	0.9
164.01120	0.8
165.04054	9.0
165.05571	4.6
173.04515	1.1
174.01715	2.1
175.04063	2.5
178.99879	2.2
179.07112	0.6
183.04590	0.5
193.05019	0.9
195.06645	1.4
202.02846	0.5
215.03484	0.7
216.04327	0.5
226.02638	1.1
227.03561	2.2
227.07172	1.8
243.02980	9.2
244.03477	0.7
254.02162	1.6
255.02994	21.0
256.03333	1.3
270.01523	0.7
271.02466	51.3
272.02917	3.4
299.02036	1.2
300.02747	100.0
301.03336	11.5
346.14294	1.3
361.16559	11.9
369.11914	4.1
391.26971	1.1
415.06717	0.6
505.26456	1.9
565.11920	86.6
566.12280	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	563.335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31313	2.6
69.31718	7.5
78.95901	78.3
80.96491	1.6
85.02988	1.1
90.36584	1.0
96.96004	5.3
96.96947	7.7
98.19947	2.2
134.98520	1.8
152.99576	68.3
171.10266	52.9
172.10580	1.3
255.23274	100.0
256.23639	4.8
307.09460	13.0
309.73184	1.3
325.10651	3.3
361.93594	1.2
391.22501	32.6
392.22488	1.9
409.23627	16.6
440.90948	1.2
563.33569	19.7
564.34277	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13314	0.3
55.01875	2.5
57.03444	7.7
58.00566	0.7
59.01377	100.0
59.28804	0.3
60.01707	0.7
61.98830	4.1
66.95473	0.2
67.01896	0.5
68.99832	0.6
69.03449	1.8
71.01379	22.4
71.05025	1.2
72.99281	1.7
73.02942	7.6
75.00871	0.9
80.98555	0.3
81.03452	0.5
83.01385	6.8
83.05025	0.4
84.02169	0.9
85.02946	33.0
85.06571	1.8
86.03301	0.5
87.00865	4.6
87.04501	0.6
88.98819	0.3
89.02441	4.3
93.03459	2.1
93.07093	1.8
95.01390	3.1
95.05029	0.3
96.96024	0.5
97.02948	1.6
97.06593	1.1
99.00879	3.2
101.02440	14.6
103.00385	0.4
108.02164	0.4
109.02960	0.4
109.06582	0.5
111.00875	2.3
111.04522	0.6
111.08155	0.5
112.01698	0.5
113.02443	12.6
113.67709	0.3
115.00335	0.3
115.03977	0.4
119.03507	1.2
119.05034	0.5
122.03773	0.3
123.04456	0.3
124.01656	0.7
125.02440	2.6
125.09756	0.3
129.01926	2.7
129.09251	0.3
133.01424	0.4
134.03746	0.9
135.04500	0.6
137.02422	0.5
137.09689	0.4
141.01923	0.4
143.03485	2.4
143.10794	0.4
145.02925	0.4
147.02985	3.0
147.04475	0.5
147.11801	0.7
149.02423	0.4
149.04572	0.4
149.06053	0.3
150.03229	0.5
151.00322	0.5
155.03464	0.4
155.10770	0.4
157.12337	0.7
159.02988	2.1
159.04204	0.4
160.01660	1.3
161.02408	0.5
161.04541	4.9
163.04071	0.3
164.04720	0.3
165.05563	0.6
171.13898	0.7
173.04533	3.0
173.05890	0.4
173.11797	0.4
174.03291	0.3
174.04907	0.3
175.04033	1.9
179.05534	0.3
181.95885	0.3
183.13937	0.8
185.15457	0.8
186.01096	0.3
191.01955	10.0
191.05559	1.7
193.05023	1.0
201.01761	0.4
205.03413	0.4
205.05203	0.3
205.08864	0.3
209.03020	5.1
209.15497	1.2
215.07068	0.4
227.03455	0.5
229.18062	5.0
235.06094	0.3
241.05116	0.3
243.02866	0.4
254.02194	0.3
255.02953	2.2
267.07001	0.3
269.04547	0.4
271.02451	3.5
271.22754	0.8
272.03006	0.5
282.01691	0.7
283.13254	0.8
284.03210	1.2
285.03918	0.5
299.02209	0.5
299.05707	0.8
300.02716	8.4
301.03052	0.8
309.14963	0.6
310.01041	1.3
311.25739	0.4
313.23846	1.2
314.00671	1.2
315.05057	9.2
316.05356	1.0
319.17548	0.3
323.25803	0.4
327.15939	1.1
329.02896	1.6
333.43085	0.3
335.17169	0.4
339.12433	0.3
341.26895	1.6
344.05267	0.8
345.17102	0.5
353.13956	0.7
359.07825	1.8
359.23441	0.5
359.27982	8.8
360.28302	0.5
371.14868	0.8
373.22162	2.5
375.74637	0.3
387.16687	0.7
391.23343	4.0
405.24857	0.4
415.26840	0.4
425.12112	0.4
431.22577	0.4
433.27777	1.5
443.30161	0.5
455.30103	0.6
467.29953	0.4
473.31158	1.1
485.31021	1.4
487.06604	2.5
503.32220	91.9
504.32516	8.3
521.33246	29.1
521.41467	0.5
522.33722	2.7
545.16687	1.3
563.16345	0.6
563.25415	1.2
563.33862	3.9
564.34094	0.3
569.84711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03448	4.2
58.00587	0.7
59.01379	61.1
61.98816	1.5
62.33552	0.5
66.82698	0.5
68.62130	0.6
69.03466	1.0
71.01380	13.9
71.01775	0.8
71.54739	0.8
72.99311	1.0
73.02943	4.7
75.00869	0.7
81.28770	0.4
82.14811	0.5
83.01390	3.9
84.02164	0.9
85.02951	27.9
86.03307	0.5
87.00878	3.3
89.02449	4.4
93.03465	1.0
95.01382	1.5
95.82587	0.5
97.02934	0.5
99.00877	1.0
101.02441	9.1
105.03439	0.7
111.00892	1.8
112.01659	1.1
113.02443	7.1
115.04071	0.5
117.03427	0.6
119.03489	1.2
125.02447	2.0
127.11286	0.5
129.01936	2.1
132.02158	14.8
133.03027	3.2
134.03746	13.6
135.04497	0.9
135.77348	0.5
137.02431	1.7
137.09700	1.5
143.03514	0.9
147.03032	2.7
147.04565	0.7
148.05339	0.5
149.04678	0.5
149.06059	2.1
153.12892	1.0
155.10776	1.5
157.12370	0.9
159.02979	0.9
160.01654	81.0
161.00868	0.5
161.02048	3.0
161.04567	1.6
173.04541	2.3
174.03093	0.5
175.03995	86.4
176.04343	2.7
177.05507	0.7
178.02768	1.0
179.03506	1.3
183.13968	0.8
189.01981	0.6
189.12875	0.9
191.01971	8.3
191.05602	0.9
191.07217	0.8
193.05032	9.4
201.14909	3.1
209.03047	3.4
214.06206	0.9
229.18123	1.0
230.15240	1.7
235.06126	1.6
269.08200	0.5
295.08270	0.8
315.08405	0.5
341.26965	0.9
359.28009	7.8
371.15201	0.7
373.22394	1.3
387.16571	3.5
391.23523	1.0
428.52646	0.6
455.29755	0.7
473.31116	1.3
485.31012	0.9
503.32236	61.8
504.32413	3.5
514.89783	0.5
521.33270	19.7
522.33539	1.2
545.16431	1.2
545.33160	1.8
563.24969	100.0
564.25281	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	563.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35192	0.2
55.01876	0.4
57.03444	1.1
58.00577	0.2
59.01374	8.5
60.99303	0.4
61.98827	0.8
62.23867	0.2
63.02380	0.3
65.00314	1.0
68.99825	0.2
69.03474	0.3
69.21085	0.9
69.21510	0.6
71.01378	6.3
72.20219	0.2
72.99315	0.5
73.02936	2.3
75.00877	0.5
81.03499	0.2
83.01389	1.0
84.02173	0.2
85.02942	9.1
87.00872	1.4
88.98797	1.5
89.02439	10.5
93.03454	1.5
96.96022	0.3
97.02922	0.2
97.06583	0.2
98.20719	0.3
99.00874	3.5
101.02443	4.2
103.00376	0.2
105.03469	0.4
107.01381	1.7
108.02168	5.1
109.02961	1.7
111.00874	0.2
111.04512	0.3
113.02438	1.6
117.03443	6.9
119.03498	0.6
119.05022	1.5
121.02972	0.6
123.04537	0.2
125.02455	0.8
129.01933	0.6
131.03491	1.8
132.02171	0.2
133.02895	0.3
134.03740	0.2
135.00897	0.2
137.02486	0.3
143.03517	0.3
145.02954	0.6
147.02972	1.5
147.04089	0.2
149.02464	4.2
149.04523	9.1
149.05881	0.4
150.03178	0.3
151.00349	5.3
151.04010	0.5
152.01146	9.9
153.01755	0.5
159.04498	0.8
161.02397	0.4
161.04536	0.4
163.04005	1.4
165.03986	0.5
165.05452	0.3
173.04550	1.7
173.05939	0.3
174.47752	0.2
175.03983	0.3
181.06567	0.8
183.04515	1.0
183.10345	0.2
185.02393	0.3
185.06108	0.2
187.03934	0.2
191.01964	3.5
191.05577	2.0
193.05019	0.6
196.05080	0.2
197.05974	0.2
201.05585	1.4
209.02927	1.2
211.03941	0.2
221.06657	0.7
225.05560	2.3
225.08910	0.2
227.03462	1.8
237.35924	0.2
241.05026	0.3
241.07202	0.4
242.77716	0.2
251.07645	1.2
255.02962	1.9
256.03488	0.2
268.03690	0.9
269.04520	100.0
270.04861	6.1
281.08795	0.2
283.13580	0.2
284.03262	3.6
285.03928	0.7
293.08621	0.2
311.05649	0.6
311.09717	0.5
315.05457	0.2
329.03110	0.2
329.23318	0.4
353.13947	0.2
359.07605	0.2
371.15002	0.3
383.11380	0.3
389.18158	0.2
389.25278	1.0
399.09128	1.0
401.16302	0.4
417.10309	5.6
418.10535	0.3
503.24957	5.4
503.32407	0.3
504.25238	0.4
563.13916	9.1
563.21210	0.4
563.31073	1.3
564.14325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98823	1.8
68.99831	0.7
70.91174	0.8
70.91470	0.6
85.02935	1.0
87.00873	85.9
88.01177	1.9
88.98817	0.5
91.05520	1.3
93.03426	1.4
94.29433	0.5
95.05019	0.7
96.35533	0.5
96.63554	0.5
98.81101	0.5
103.05543	0.7
103.57232	0.5
105.03438	1.7
106.26762	0.5
108.02176	1.0
109.02934	0.7
119.05027	2.4
121.02950	7.3
122.02910	1.1
122.03738	17.0
123.04523	7.3
124.01644	2.5
130.99857	53.6
135.04471	1.0
137.02434	5.8
139.03983	1.5
145.03032	0.9
146.03691	1.3
147.04520	11.2
148.05287	2.5
149.02422	4.7
149.06050	3.1
150.02988	0.6
154.02708	4.4
163.04025	2.4
164.04747	1.9
165.05556	1.7
165.12808	1.0
173.04578	0.7
175.04118	0.9
181.12383	0.6
183.21518	0.5
191.03598	2.6
191.05069	0.6
192.04321	3.3
193.05055	2.0
194.02168	1.8
200.11473	0.6
211.13382	1.1
217.01389	0.6
218.02136	2.2
247.20630	1.3
254.04297	39.9
255.04857	4.0
273.18640	0.7
281.21295	0.6
291.19604	6.8
307.18851	0.7
309.20642	7.4
352.10678	0.7
398.97137	0.6
459.15408	0.7
501.25119	0.7
503.22501	1.2
527.22821	1.3
534.39337	0.6
563.24896	100.0
564.25256	9.2
582.02032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56886	0.7
55.01880	1.9
57.03438	4.9
58.00590	1.4
59.01376	100.0
60.01728	1.0
60.99305	1.4
61.98825	4.4
66.23158	0.7
67.01888	1.3
68.99831	0.7
69.03455	2.5
71.01380	50.9
72.81511	0.6
72.99312	3.1
73.02942	50.4
75.00871	2.6
77.50949	0.7
81.03455	1.4
83.01384	16.3
84.02151	1.7
85.02946	39.4
86.03283	0.7
87.00878	9.1
88.98807	6.6
89.02444	21.7
93.03469	6.5
93.93649	0.8
95.01387	4.2
95.63383	0.6
97.02921	1.4
97.06602	0.8
98.20696	1.0
98.70224	0.7
98.80754	0.6
99.00882	3.3
99.04515	0.9
101.02438	56.0
102.02768	0.7
108.02183	2.2
109.02945	3.4
111.00854	0.9
111.04553	1.6
113.02446	28.7
117.03503	0.8
117.41001	0.7
119.03484	9.2
119.04961	0.7
121.02969	2.5
122.03746	2.2
123.04514	3.5
125.02467	2.9
127.03996	0.8
129.01974	2.3
131.03503	5.6
133.01422	1.1
134.03766	2.2
135.04524	0.7
136.05396	0.7
137.02423	2.3
143.03535	4.7
143.05032	1.2
145.02896	1.1
147.03014	3.6
147.04498	0.9
148.74712	0.7
149.04559	6.9
149.06059	1.5
151.06238	1.1
155.03525	2.3
158.03613	0.7
159.04478	4.5
159.08394	0.8
160.01714	1.6
160.05269	9.2
161.02483	1.5
161.04565	18.0
161.06039	2.6
162.03313	0.7
163.04021	1.8
164.04816	0.9
165.04131	0.9
165.05513	1.1
171.04469	1.0
172.05272	5.1
173.04565	7.9
173.06088	3.8
174.03459	0.7
175.03993	2.7
175.07608	5.0
177.05515	0.9
178.06377	0.8
179.05626	4.2
179.07030	0.8
185.06133	0.7
187.07635	2.3
189.05565	10.8
190.06319	11.8
191.01976	10.9
191.03630	1.5
191.05655	2.7
193.05101	1.8
199.50134	0.7
203.05573	0.9
203.07275	0.9
204.07938	0.8
205.08699	11.4
206.08887	0.7
209.02985	11.5
221.06633	2.3
225.09296	1.1
227.03465	0.8
229.54506	0.8
239.03461	0.8
255.02963	1.3
255.05551	0.7
269.04535	4.5
281.08215	2.8
283.02533	3.0
283.13232	1.1
284.03226	4.4
285.03879	1.2
295.09851	1.6
296.10541	7.2
297.11172	0.7
298.04742	1.1
299.05438	3.8
308.10635	1.1
310.08423	1.0
311.12869	9.4
312.13403	0.8
326.11530	1.3
327.16193	1.3
329.13983	2.3
329.23557	0.8
341.13904	57.8
342.14175	3.2
371.15143	0.8
389.25467	3.8
503.12158	2.1
503.19061	26.0
504.19733	1.6
521.20319	6.0
563.22974	11.5
563.31995	6.0
564.23297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
57.03447	6.6
58.00586	1.4
59.01378	100.0
59.15054	0.5
60.95341	0.5
61.98828	4.5
67.01909	0.9
68.58307	0.5
68.99826	0.8
69.03467	0.9
69.15346	0.5
69.22925	2.4
69.23351	2.0
69.34939	0.5
71.01380	26.5
71.05009	1.2
72.99297	2.6
73.02937	6.7
75.00879	1.8
83.01382	4.4
83.05049	0.8
84.02174	0.8
84.95132	1.6
85.02946	35.3
85.06574	0.6
87.00865	5.5
87.78479	0.5
88.98795	0.5
89.02444	11.2
89.08506	0.5
93.03445	3.4
93.07091	0.9
95.01373	2.4
96.96021	1.0
97.02954	1.0
97.06612	0.5
98.19912	1.0
99.00879	3.0
99.04514	0.8
100.38079	0.5
101.02436	16.4
103.00381	0.5
106.37508	0.5
109.06594	0.6
111.00881	1.9
111.04541	1.0
112.11350	0.5
113.02444	12.9
117.03495	1.1
119.03501	4.1
119.04961	0.7
121.02950	1.1
123.04585	0.8
125.02441	2.2
129.01930	2.6
130.99890	0.7
131.03513	0.5
132.02193	4.5
133.02965	3.0
134.03743	12.9
135.04500	1.7
137.02435	1.9
141.97266	0.5
143.03482	1.9
143.10782	0.7
145.02979	1.0
147.02972	3.9
147.04494	1.5
147.08168	0.7
149.02377	0.9
149.04564	1.2
149.06068	1.4
150.03214	2.0
151.03940	0.5
155.03412	0.6
158.03661	0.7
159.02957	1.0
160.01649	21.6
161.02475	6.6
161.04532	5.3
163.03937	1.1
163.11285	23.0
164.04692	0.7
165.05537	2.6
169.02925	1.2
173.04532	4.6
173.06049	1.2
174.03108	0.7
175.03981	23.1
176.04758	2.5
177.01877	1.3
178.02678	0.6
179.03366	1.1
179.05585	1.0
183.13957	0.6
186.03197	3.8
191.01973	11.7
191.03682	0.9
191.05798	3.5
191.07031	3.6
193.05055	10.9
195.06569	0.6
201.05498	0.7
207.06732	0.8
209.02991	4.1
211.03964	0.6
214.02678	1.0
220.03780	0.6
225.09117	0.6
226.09882	0.6
229.17981	3.8
235.06166	4.6
241.01128	0.6
242.02055	0.7
254.02167	0.9
255.02905	1.4
257.04456	2.5
265.07126	1.0
282.01666	1.8
283.13403	0.9
284.03333	3.3
285.03970	1.2
295.08228	1.6
299.05533	1.3
300.02676	1.0
310.01147	5.5
311.01669	0.7
314.00745	0.9
315.04868	0.5
327.15802	1.6
328.02350	1.1
329.03003	6.7
329.23312	0.6
330.03638	1.2
338.00696	1.3
343.04584	1.0
344.05359	12.0
345.06033	2.3
345.16895	1.0
353.13852	0.7
359.03360	1.0
359.07709	16.2
359.28088	4.4
369.15298	1.0
371.14890	1.6
373.22305	1.3
383.27689	0.5
387.16577	66.7
388.16953	3.2
391.23221	2.4
419.03857	0.9
428.05313	0.5
431.22534	0.9
444.04996	0.7
473.30914	0.7
485.30798	1.2
487.06653	10.4
488.07095	1.4
489.17432	0.8
503.32233	52.8
504.32401	2.4
521.33295	16.9
522.33844	1.2
531.05914	0.6
545.16437	0.9
563.21075	30.5
563.33099	2.2
564.21387	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16661	0.7
55.01864	1.1
57.03457	4.3
59.01379	88.5
60.01701	1.5
61.01792	0.7
61.98832	7.7
67.01904	0.7
69.03444	1.0
71.01378	25.6
72.99301	1.7
73.02939	5.1
75.00874	1.4
83.01376	2.7
85.02948	31.4
87.00867	5.3
89.02442	16.0
93.03460	3.6
95.01381	2.4
96.96012	3.9
97.02951	0.8
97.06604	0.9
98.95586	1.5
99.00887	2.5
101.01790	1.3
101.02435	18.4
109.02954	1.2
111.00890	0.9
111.04549	0.8
113.02443	11.6
115.00334	0.7
115.92030	0.9
116.92848	1.3
117.03457	1.6
119.03513	5.4
119.05011	0.9
125.02469	0.9
129.01917	2.3
132.01251	0.9
132.02171	11.8
133.02968	6.6
134.03737	22.2
135.04546	3.7
137.02411	1.0
143.03418	1.1
147.02979	2.7
147.04501	2.2
148.05267	0.7
149.06052	3.4
160.01651	57.9
161.02440	17.3
161.04546	3.1
163.11284	8.0
165.99045	0.7
171.10258	2.6
172.05344	1.2
173.04570	6.7
173.05933	1.4
174.03203	1.2
175.03993	61.6
176.04750	3.9
177.01825	0.7
178.02727	2.3
179.03439	1.8
183.13893	1.2
187.07663	1.7
191.01949	7.4
191.05591	9.3
191.07132	4.3
193.05058	16.9
194.05243	1.0
199.04037	1.3
200.04631	0.9
201.05518	1.5
207.06638	1.3
207.10251	9.9
209.03015	8.0
211.07549	0.9
211.13342	0.8
223.35043	0.7
223.82915	0.7
227.03369	1.0
235.06094	9.0
243.02827	1.6
249.05655	0.7
253.09175	1.2
255.03070	3.5
255.13841	1.7
265.07172	1.2
271.02435	5.7
283.13403	7.2
284.03021	1.2
295.08212	1.9
299.01987	2.1
299.05640	1.1
300.02725	15.3
301.03113	1.6
301.14481	2.1
311.12830	0.8
315.01630	1.4
315.05029	12.3
316.05365	1.4
327.15945	3.0
327.21695	2.9
328.05832	0.8
345.17026	6.2
355.10583	0.9
359.27850	2.5
369.15530	1.7
371.14957	4.7
372.70975	0.8
387.16589	100.0
388.16931	6.7
389.16238	1.2
389.25330	1.7
391.23126	1.1
405.02222	0.9
420.04968	0.9
425.12537	1.5
459.09100	3.3
472.04501	1.7
477.10251	1.2
485.31110	1.3
487.06738	12.1
488.06918	1.2
489.17676	1.0
502.30707	1.9
503.32111	33.1
504.32211	1.9
519.11407	6.6
520.32257	1.1
521.33179	10.3
531.18628	1.4
545.16754	2.6
563.20862	59.5
564.20868	4.2
571.94849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01373	0.7
61.98845	0.6
67.01887	1.2
70.40545	0.8
70.40914	0.9
71.01385	1.3
81.03486	0.7
83.05043	1.8
85.02946	1.1
87.00866	0.7
93.03458	10.3
111.04520	5.3
117.03446	0.7
121.02939	3.7
122.03758	4.4
124.55796	0.4
127.04037	0.8
129.01965	0.5
133.02943	1.3
134.03734	39.0
135.04044	0.7
136.01752	0.5
137.02429	6.1
139.04005	1.2
149.02441	8.1
149.06085	11.7
150.03223	37.7
151.03690	0.9
155.03494	5.6
164.04803	1.4
165.05560	43.9
166.05858	0.7
173.04539	28.4
174.04834	0.5
178.02704	23.1
180.04291	2.6
191.05591	0.5
193.05043	100.0
194.05424	2.3
195.06613	33.3
196.06940	1.2
245.84711	0.5
245.87416	0.5
282.08917	1.4
297.11292	0.6
341.10309	3.8
375.62460	0.4
389.12372	12.5
390.12848	0.6
418.40369	0.5
503.20999	0.5
541.54071	0.4
563.17645	17.3
564.18115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01371	2.1
60.99310	0.4
61.65111	0.2
61.98817	0.3
67.01884	4.8
69.03442	0.9
71.01389	3.3
73.02963	0.2
81.03452	0.9
83.05021	0.7
85.02955	1.4
87.00891	1.1
88.98798	0.4
93.03455	28.7
94.03804	0.6
96.02161	0.2
99.00886	0.2
99.04505	0.4
101.02430	0.3
109.02946	0.9
111.00878	0.6
111.04517	4.6
113.02444	0.7
121.02948	0.5
122.03741	0.9
127.04012	0.5
129.01996	0.3
131.42148	0.2
133.02953	0.5
134.03738	4.9
135.04405	0.2
137.02437	4.3
141.70660	0.2
147.04532	0.7
148.05315	0.5
149.02487	1.5
149.06082	1.2
150.03227	6.2
151.03854	0.2
152.49889	0.3
155.03519	4.0
164.04791	0.3
165.04160	0.4
165.05556	5.4
173.04536	100.0
174.04861	1.9
175.09764	0.2
178.02676	2.8
180.04237	0.5
191.01895	0.4
191.05579	1.4
191.07146	1.1
193.05037	10.1
194.05392	0.4
195.06630	3.3
209.02986	0.4
211.04073	0.4
226.56256	0.2
267.06616	0.9
279.06604	0.4
282.08899	0.6
283.09845	0.3
297.11270	0.7
327.12350	2.4
341.10233	0.6
359.11246	0.5
388.02676	0.2
389.12555	1.8
412.06509	0.2
443.65332	0.2
536.10693	0.3
563.17676	4.5
564.18225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01373	2.3
60.99306	1.2
64.08990	0.2
65.03959	0.4
67.01889	7.2
69.03452	1.1
71.01379	2.7
71.08640	0.3
81.03453	1.2
83.05019	1.5
85.02953	1.2
87.00873	3.3
88.98793	0.5
93.03457	37.7
94.03792	0.4
99.00877	0.6
99.04517	0.7
101.42224	0.3
108.36406	0.3
109.02953	0.9
111.00896	0.6
111.04514	5.5
113.02464	0.6
115.04072	0.3
117.85216	0.3
121.02972	1.1
122.03759	0.8
123.04482	0.3
127.04018	0.6
129.01918	0.5
134.03745	4.5
137.02440	3.7
149.02449	1.9
149.06102	1.2
150.03226	5.7
151.04024	0.4
155.03503	4.6
165.05553	5.4
168.87079	0.2
173.04539	100.0
174.04893	1.7
178.02713	2.0
181.04980	0.3
191.05632	2.6
191.07158	0.5
193.05042	7.2
195.06644	2.9
230.20230	0.3
250.06364	0.4
267.06543	0.5
282.08908	1.1
285.26852	0.3
327.12460	0.6
341.10278	3.4
359.11432	0.4
389.12521	2.1
389.16891	0.4
563.17700	11.6
564.17950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87247	0.6
59.01372	2.8
61.19202	0.6
69.53539	1.3
69.53954	3.6
71.01373	1.6
72.99302	4.1
73.02960	0.6
85.02950	1.9
87.00883	1.3
89.02460	3.5
89.86526	0.6
96.95991	1.0
108.02158	1.2
109.22444	0.6
115.00335	0.9
117.01938	1.2
119.05002	1.1
131.04991	2.6
132.05806	0.7
133.01410	4.0
133.06590	44.7
134.06909	0.9
137.67206	0.6
145.01404	0.9
147.04512	1.6
164.04695	0.6
166.59219	0.7
172.40878	0.6
177.05559	100.0
178.05942	3.2
191.01970	0.7
193.05128	0.8
209.02931	1.0
214.83984	0.7
221.04564	34.4
221.06432	1.3
222.04996	1.2
341.10944	1.3
372.33865	0.6
503.15930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01382	0.9
67.01884	1.6
69.45348	3.1
69.45774	1.0
71.01379	2.2
81.03454	1.4
83.05023	3.6
85.02956	2.0
87.00873	1.2
93.03460	16.9
101.90246	0.5
106.04267	0.7
106.27908	0.6
109.02950	1.3
111.04518	7.9
117.03489	1.4
117.22945	0.5
119.05048	0.7
121.02959	15.5
122.03771	6.2
127.04008	1.7
129.01938	1.0
132.02219	0.6
133.02953	1.6
133.97263	0.6
134.03738	55.5
135.04585	3.0
137.02440	8.3
139.04012	1.9
147.04471	0.9
148.01636	1.0
149.02437	22.2
149.03632	1.1
149.06076	14.3
150.03226	51.8
151.03519	1.3
155.03505	10.1
161.02498	0.6
164.04776	5.3
165.05571	61.4
166.05887	1.4
173.04552	38.5
174.04933	0.9
178.02713	28.1
179.03143	0.9
180.04230	4.3
187.27811	1.0
191.05563	1.2
193.05054	100.0
194.05383	3.5
195.06624	38.4
196.06801	0.7
199.03435	0.5
205.06578	0.8
209.03038	0.8
221.06062	0.9
222.06799	0.5
233.05948	1.3
234.06783	1.6
235.07635	0.7
238.06311	0.7
239.07108	3.9
240.07286	0.6
250.06316	4.7
251.07069	1.2
253.08635	1.2
254.09447	1.3
265.08609	1.1
267.06659	3.4
268.07059	0.7
269.88388	0.6
282.08963	12.4
283.09357	0.9
297.07724	0.7
297.11172	1.3
326.07666	0.7
341.10266	55.2
342.10596	3.6
389.12408	34.6
390.12772	1.9
453.18784	0.6
563.17657	27.7
564.18011	2.4
588.37634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1406
Annotation	Apiin
Peak:m/z	Relative Intensity
50.23217	0.1
55.01904	0.3
57.03448	1.1
58.00588	0.2
59.01376	6.5
60.99342	0.2
61.98837	0.5
63.02419	0.2
65.00327	0.8
67.01903	0.2
69.29305	0.1
69.29594	1.4
71.01375	4.6
72.99327	0.2
73.02946	1.8
73.03295	0.2
75.00911	0.4
83.01376	0.8
85.02947	6.8
87.00877	0.8
88.98819	1.1
89.02441	8.3
93.03455	0.9
96.96051	0.3
99.00877	2.8
101.02437	3.5
105.03448	0.3
107.01385	2.1
107.02031	0.2
108.02186	2.1
108.28838	0.1
109.02959	0.8
113.02432	1.0
117.03447	6.2
119.02763	0.2
119.03544	0.6
119.05061	0.6
121.02980	0.3
125.02464	0.6
129.01959	0.7
131.03505	1.7
137.02458	0.2
145.02911	0.3
147.02971	1.0
149.02463	4.6
149.04530	6.3
149.05801	0.2
150.03127	0.2
151.00357	5.6
151.03984	0.2
152.01147	3.8
155.03548	0.2
159.04469	0.9
161.02461	0.2
161.04605	0.4
163.04015	0.5
165.04065	0.4
165.05487	0.3
169.06731	0.2
173.04559	1.4
178.02727	0.1
180.05824	0.2
181.06560	0.9
183.04501	0.8
185.02318	0.2
187.04164	0.2
188.21017	0.2
191.01973	3.0
191.03758	0.3
191.05591	1.9
193.05125	0.3
196.05153	0.2
197.06142	0.4
201.05557	0.9
209.03033	0.8
221.06686	0.7
224.04738	0.4
225.05554	2.0
227.03461	2.0
241.04935	0.2
251.07683	0.9
254.09901	0.2
255.02962	2.1
256.03558	0.2
257.04483	0.2
268.03711	1.0
269.04526	100.0
270.01947	0.2
270.04861	4.8
284.00351	0.3
284.03256	3.7
285.03922	0.8
293.08820	0.3
311.05780	0.3
311.09708	0.4
327.15820	0.4
329.23248	0.3
353.14041	0.2
359.07971	0.3
371.14816	0.2
383.11423	0.2
387.12204	0.2
389.25333	0.8
399.09167	0.4
401.16043	0.2
417.10361	2.1
503.24939	4.7
509.56403	0.1
537.74921	0.2
563.13873	6.2
563.31238	1.3
564.13739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87247	0.6
59.01372	2.8
61.19202	0.6
69.53539	1.3
69.53954	3.6
71.01373	1.6
72.99302	4.1
73.02960	0.6
85.02950	1.9
87.00883	1.3
89.02460	3.5
89.86526	0.6
96.95991	1.0
108.02158	1.2
109.22444	0.6
115.00335	0.9
117.01938	1.2
119.05002	1.1
131.04991	2.6
132.05806	0.7
133.01410	4.0
133.06590	44.7
134.06909	0.9
137.67206	0.6
145.01404	0.9
147.04512	1.6
164.04695	0.6
166.59219	0.7
172.40878	0.6
177.05559	100.0
178.05942	3.2
191.01970	0.7
193.05128	0.8
209.02931	1.0
214.83984	0.7
221.04564	34.4
221.06432	1.3
222.04996	1.2
341.10944	1.3
372.33865	0.6
503.15930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.01381	39.8
61.98833	2.7
71.01382	8.3
73.02941	2.5
83.01387	2.7
85.02953	10.5
87.00900	2.2
89.02442	1.6
92.70269	0.9
93.26447	1.0
101.02431	5.4
109.45170	1.0
113.02453	6.3
129.01813	1.0
135.98299	1.0
151.00392	1.9
160.01683	2.6
161.04602	2.0
171.23358	1.0
173.04536	1.9
175.04089	2.8
191.01915	2.2
227.03477	1.6
229.18065	2.8
229.51169	1.1
243.02994	5.7
255.02972	17.0
271.02448	36.7
272.03015	3.2
283.13507	1.4
299.01910	8.9
300.02722	100.0
301.03058	5.2
315.05090	87.7
316.05353	4.6
359.27921	4.3
373.22217	1.6
388.44678	1.1
391.23395	2.3
487.06708	2.0
503.32248	43.4
519.03516	2.1
519.11389	43.3
520.11823	3.8
521.33209	13.1
563.24969	2.1
563.33875	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	563.104
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01876	1.1
57.03429	2.9
59.01378	48.7
61.98848	0.9
69.42691	6.8
70.72262	0.7
71.01379	10.5
71.05019	1.0
73.02943	4.3
83.01372	2.5
85.02943	10.2
85.06585	1.2
87.00863	1.6
89.02448	1.8
93.03436	1.8
93.07099	1.7
93.40807	0.8
95.01363	1.4
97.02943	1.6
99.00877	1.2
101.02445	9.8
108.02184	0.8
111.00871	1.4
113.02448	5.0
115.77840	0.9
125.02437	0.9
129.01955	1.5
151.00356	1.2
160.01627	2.1
161.04524	1.5
173.04538	2.1
175.03969	2.4
191.01833	1.4
207.21562	0.9
211.17024	0.9
227.03488	1.6
229.18010	3.9
243.02910	5.0
254.02461	1.0
255.02956	15.5
271.02460	37.4
272.02902	1.6
283.13324	3.1
299.01947	8.7
300.02731	100.0
301.03082	6.4
315.05093	86.5
316.05493	5.3
345.16953	1.4
359.27927	3.0
371.14862	1.1
373.21997	1.2
391.23203	3.4
433.28070	1.0
459.09146	1.2
487.06589	1.4
503.32227	55.1
504.08838	1.0
504.32166	1.1
519.11414	39.9
520.11713	3.2
521.33252	15.4
545.16479	1.3
563.25201	1.2
563.33789	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	563.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04464	0.6
55.01865	2.4
57.03446	15.1
59.01377	17.1
60.99298	2.5
61.72737	0.6
61.98830	2.0
63.86168	0.7
63.95242	0.7
67.01893	5.6
68.99794	1.4
69.03444	0.9
71.01381	17.1
71.54103	1.3
72.99297	2.6
73.02938	2.5
75.00869	3.4
77.47428	0.6
81.03473	0.9
83.01383	2.6
83.05014	1.4
84.02153	2.9
85.02946	100.0
86.03303	1.3
87.00872	6.2
88.98805	6.7
89.02434	6.3
93.03456	29.7
95.01411	0.9
99.00874	1.0
101.02447	2.5
103.00343	2.7
109.02917	3.8
110.31357	0.7
111.00866	2.0
111.04510	5.3
111.55578	0.7
113.02436	2.3
115.00361	3.0
115.04003	0.8
119.05011	2.8
123.04560	1.3
129.01953	10.0
129.03465	2.4
131.07005	0.9
133.01414	4.3
134.03726	2.6
135.02931	0.9
137.02419	4.3
145.02974	4.5
146.03735	12.1
147.02998	11.9
147.04503	33.8
148.05298	1.8
149.02457	0.8
149.04564	1.0
149.06047	1.1
150.03212	3.2
155.03467	5.1
158.03712	1.0
159.04535	1.9
161.06017	0.9
162.06802	0.7
165.04109	1.7
165.05560	2.7
167.03380	0.8
173.04535	99.2
174.04770	1.7
175.02455	1.0
176.04680	0.8
178.02657	1.2
191.01970	50.5
191.05589	6.9
191.07167	4.7
193.05052	3.2
195.06668	1.1
208.30023	0.8
209.03009	75.9
210.03415	1.7
229.01436	1.6
233.06584	1.1
249.05646	0.9
250.06181	0.7
265.05026	2.6
266.05783	9.2
267.06659	5.1
268.07278	3.7
269.04501	1.0
277.05142	1.1
279.06766	1.4
281.08188	7.1
282.08893	2.5
283.09680	5.3
293.04501	1.1
294.05353	2.8
294.08575	0.7
297.11392	3.1
309.07715	2.9
321.14572	0.9
327.08713	4.5
327.12390	8.2
341.10559	1.0
353.06638	27.6
354.07053	1.1
359.11359	2.7
371.07693	1.5
389.12335	5.1
389.25439	8.7
563.17603	7.3
563.30670	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30759	0.4
55.01859	1.1
57.03431	1.6
59.01377	30.9
61.98825	2.7
69.03448	0.4
69.20325	1.0
69.20725	3.3
71.01374	6.0
73.02937	2.0
83.01375	2.5
85.02943	8.5
87.00864	1.7
88.98814	0.6
89.02426	1.7
93.03443	1.0
93.07101	1.1
95.01373	1.2
99.00846	1.2
101.02432	4.9
111.00855	3.5
113.02438	4.4
123.04528	0.5
125.02437	0.9
129.01938	0.5
133.02939	1.2
134.03697	1.8
137.02399	0.7
143.03438	1.1
147.03008	0.8
148.01654	0.5
148.98781	0.6
154.04202	0.4
159.02876	0.5
160.01639	1.2
161.02470	1.1
161.04578	2.2
173.04544	0.9
174.03130	0.7
175.03995	0.9
176.98248	1.4
178.92986	0.5
182.03703	0.8
185.02344	0.5
186.03123	1.2
191.01950	1.5
191.05510	0.5
193.04993	0.8
197.02399	2.0
198.03189	3.1
201.01892	5.9
202.02605	0.9
204.97705	0.6
209.02599	0.8
210.03154	1.2
214.02702	1.5
225.01857	1.5
226.02666	2.6
227.03442	0.5
229.01474	0.7
229.18004	2.2
230.02177	1.3
235.06044	0.5
237.01846	1.0
238.02762	1.2
241.01666	0.5
242.02206	0.7
252.00586	1.0
253.01523	3.1
254.02155	5.9
255.02985	1.2
257.00812	0.6
257.04623	0.5
258.01669	0.8
258.09827	0.4
269.00867	0.7
281.00842	2.7
282.01660	18.0
283.02258	1.6
284.03125	1.2
285.03906	0.8
286.01157	7.3
294.01608	0.6
297.03879	1.0
299.05688	1.3
308.03128	0.6
309.00531	2.8
310.01157	50.4
311.01733	5.5
314.00653	39.4
315.00970	1.5
323.01965	1.3
325.03452	5.5
327.01331	1.2
327.06610	0.7
329.02991	51.7
330.03314	1.9
335.99094	1.5
336.99826	1.5
337.96567	0.8
338.00623	12.4
339.00900	0.6
344.05319	34.9
345.05649	1.5
351.01297	2.4
355.06128	0.7
356.06912	0.5
359.07684	49.7
359.27869	0.8
360.08026	2.8
371.05435	1.3
371.14951	0.5
372.06226	1.7
373.22046	1.1
373.26031	1.3
391.23251	1.5
399.04929	1.1
400.05869	1.8
404.01575	1.3
416.05200	1.5
419.04053	5.4
420.04669	0.8
443.12274	0.6
444.04825	7.2
459.07129	2.5
461.05109	0.7
472.04187	0.7
475.10037	0.5
487.06659	100.0
488.06964	8.4
501.85577	0.5
503.25430	0.7
503.32153	17.8
504.32764	0.5
519.09448	1.1
521.33307	6.9
531.05676	2.9
563.25452	1.4
563.34381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80416	0.3
54.87328	0.3
55.01876	0.4
57.03448	2.3
59.01380	20.0
60.99298	0.7
61.98835	2.7
62.73996	0.3
67.01880	0.6
69.03444	0.4
71.01374	5.7
72.99302	0.5
73.02946	1.5
79.59196	0.3
83.01378	1.3
84.02185	0.4
85.02953	10.6
87.00864	2.3
88.98801	1.9
89.02431	1.9
93.03455	2.2
93.07108	0.5
95.01409	0.6
96.96022	0.8
97.02969	0.3
98.19923	1.2
99.00887	1.1
101.02438	3.5
108.02149	0.4
110.24527	0.3
111.00886	3.0
111.04528	0.6
113.02463	2.8
119.04949	0.3
121.03013	0.3
123.04536	0.6
125.02454	1.0
126.90455	0.4
129.01915	1.3
131.41998	0.3
132.02173	0.3
133.02989	0.5
134.03751	2.0
135.04509	0.8
137.02475	0.6
143.03485	0.5
145.02916	0.6
147.02997	1.2
147.04581	0.4
149.02534	0.4
154.04250	0.8
159.03104	0.4
160.01620	1.2
161.02492	0.5
161.04614	1.6
161.05789	0.4
163.03934	0.5
165.04019	0.4
165.12900	0.4
169.02907	0.6
170.03690	0.6
173.04579	2.6
175.03934	0.7
176.04716	0.5
177.01978	0.6
182.03732	0.6
183.13921	1.1
185.00943	0.4
185.02434	0.5
187.52626	0.3
191.01962	3.2
191.05608	1.5
191.07162	0.7
192.04240	0.6
193.03342	0.3
193.05037	1.3
196.01604	0.5
197.02403	1.4
198.03226	3.9
207.06659	0.8
209.02896	1.5
210.03253	0.9
211.03889	0.4
213.01906	0.4
214.02583	0.4
224.01079	0.4
225.01848	1.3
226.02713	3.2
227.03484	1.5
227.12802	0.9
229.18059	1.3
235.06149	0.9
237.01848	1.0
238.02710	1.1
252.00635	1.2
253.01424	2.1
254.02165	6.2
255.02914	2.5
266.02127	0.7
280.00217	0.6
281.00909	2.8
282.01678	17.4
283.02353	1.9
284.03299	3.1
285.04074	1.0
295.02463	0.5
295.08353	0.6
297.04053	0.5
298.01144	0.4
299.05630	0.7
307.99655	1.1
308.03094	0.4
309.00284	2.1
310.01169	54.7
311.01755	4.7
323.01987	1.1
325.00027	0.3
325.03543	5.0
327.01511	1.0
335.99023	1.5
336.99826	1.7
338.00659	11.8
339.00891	0.8
343.06094	0.6
351.01376	2.8
353.14008	1.1
355.06229	0.6
355.10287	0.3
356.06839	0.9
359.05719	0.3
359.28036	0.4
361.03574	0.4
371.05484	1.0
371.14890	0.5
372.06366	1.0
373.22028	0.8
373.26263	0.5
376.02219	0.4
387.05182	0.5
389.25314	0.6
391.23419	1.5
399.05020	1.1
400.05667	1.4
404.01953	1.1
405.02103	0.8
416.05212	1.5
419.04089	7.3
420.04654	1.3
428.05197	0.6
444.04800	6.5
445.05460	0.8
459.07120	2.0
472.04407	0.6
487.06683	100.0
488.06937	8.2
489.04855	0.4
503.25638	0.6
503.32230	14.0
519.09839	0.8
521.33362	4.0
531.05688	2.9
563.14313	1.9
563.23358	1.2
563.32104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28332	0.5
59.01371	4.1
61.98835	1.1
69.42985	3.0
69.43390	0.8
71.01378	3.3
73.02946	0.9
77.03970	0.6
79.52327	0.5
80.11340	0.5
85.02931	2.8
85.24639	0.5
87.00888	1.6
89.02500	0.7
93.03439	2.8
96.96008	7.2
101.02447	1.5
107.05050	0.8
108.02120	1.1
109.02946	1.0
111.04612	0.7
113.02455	1.1
117.03457	1.2
119.05030	1.5
121.06598	1.3
122.03783	0.6
123.04551	0.6
125.02383	0.7
131.05002	1.7
132.02176	1.1
133.02951	27.1
133.05072	0.9
134.03787	2.6
135.03503	0.8
135.04529	14.3
137.02464	1.1
145.02910	1.4
146.03763	0.8
147.04520	26.2
148.05313	3.0
149.06071	62.0
150.06407	1.6
161.02435	75.5
162.02820	2.6
173.04568	3.4
174.03247	0.9
175.03987	16.4
177.05574	1.5
179.03503	8.9
188.06201	0.5
191.05600	1.5
193.05040	34.0
194.05354	1.2
203.03584	0.9
218.02219	1.2
219.02963	100.0
220.03285	3.7
221.04543	0.8
255.03004	0.7
284.03525	0.5
323.04077	1.0
323.07700	13.6
324.08047	1.0
355.10303	2.4
381.08267	11.9
382.08310	1.0
387.10825	0.8
399.09274	6.1
473.14532	2.5
517.13483	6.8
518.13519	0.6
543.11365	21.7
544.11493	2.0
561.12378	32.7
561.20941	1.1
562.12726	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	562.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86817	0.7
52.60996	0.6
59.01368	0.9
61.98824	4.4
71.01356	0.7
71.53795	0.7
78.95477	1.1
78.95896	9.2
87.00864	1.5
100.99490	0.6
140.01190	2.4
145.66666	0.6
152.99548	0.9
155.07185	0.7
155.14413	1.0
165.12857	1.7
171.91385	0.6
181.12457	0.7
182.34398	0.6
196.03767	1.3
199.13376	20.0
214.04829	4.0
279.19571	6.9
347.25839	5.6
365.26910	100.0
366.27313	7.6
562.17218	1.6
562.31421	31.9
563.31763	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	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01478	0.5
57.03452	1.5
59.01374	15.5
61.98831	3.3
67.01895	1.0
69.03465	1.3
71.01367	5.4
71.05018	1.2
72.99313	1.2
73.02927	2.9
73.74316	0.5
75.00867	1.3
78.95914	0.7
81.03452	0.7
83.01357	1.0
83.05029	1.8
85.02936	3.3
87.00862	6.4
87.04545	0.7
89.02444	1.7
93.03461	7.5
95.01385	0.8
96.96001	2.9
97.02936	0.8
97.06590	1.4
99.00886	1.6
101.02448	2.2
111.04500	3.9
111.08152	0.7
113.02447	2.8
116.92888	0.6
119.03524	0.6
119.04999	2.6
122.03709	0.7
123.08178	0.8
125.09727	1.2
127.11307	1.0
129.02002	0.9
130.99829	0.8
137.02438	1.3
143.10748	1.3
145.02925	1.5
147.04501	0.7
149.06123	0.8
155.03497	5.6
155.10722	0.7
163.04031	3.3
163.11235	0.6
165.12854	0.9
169.12262	0.8
171.10242	1.9
173.04533	18.6
173.06042	1.1
175.07654	0.8
185.00830	0.5
201.05536	0.7
201.11320	1.2
209.11734	1.0
231.06630	0.7
241.08788	0.6
245.00943	0.7
265.14499	0.9
269.04681	2.8
270.01755	0.9
271.02405	0.6
284.03278	1.1
287.23724	1.0
289.10751	0.9
298.01059	0.7
299.05649	0.7
305.24875	2.4
323.25836	4.4
339.25226	1.1
341.26871	8.8
342.27310	0.8
349.23770	2.7
355.24921	0.6
367.24771	9.0
368.25278	0.7
385.25912	100.0
386.26193	6.4
402.12936	0.6
446.59073	0.7
448.28671	0.6
460.48523	0.6
471.23764	1.1
499.28983	2.6
515.28815	1.2
517.30481	1.0
518.30408	0.6
522.50299	0.7
528.21039	0.6
559.14502	2.1
559.24005	2.3
559.31171	54.3
560.31531	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	559.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12631	0.4
53.52191	0.3
57.03440	0.8
59.01379	2.6
60.99300	1.4
61.46105	0.3
61.98835	2.0
67.01888	6.2
69.03451	1.5
69.56339	1.9
71.01382	3.2
72.99303	0.5
73.02927	0.5
75.00862	0.7
78.95887	0.8
81.03461	1.6
82.23985	0.4
83.05011	1.2
83.74969	0.3
85.02948	6.9
87.00877	8.4
89.02434	0.8
93.03457	38.7
94.03789	0.9
96.95988	2.5
96.96946	0.9
98.19939	0.7
99.00864	0.8
99.04494	0.5
101.02419	0.5
109.02941	1.3
111.04516	5.4
113.02444	0.9
115.03995	0.5
119.05015	1.6
121.02944	0.7
123.04538	0.4
127.04030	1.8
129.01923	1.0
130.99879	0.4
131.03548	0.4
135.04546	0.7
136.78410	0.4
137.02446	1.0
139.03961	0.3
142.73553	0.3
147.04526	0.4
149.02444	5.8
150.03197	0.4
151.03973	0.4
152.01141	1.8
153.01888	0.5
155.03497	1.1
161.02432	0.4
161.37224	0.3
162.38293	0.4
163.04010	2.7
164.04778	7.6
165.04048	0.5
165.05544	0.5
169.05006	0.4
171.02982	0.5
173.04544	12.8
173.06042	0.9
177.05568	0.5
179.07132	1.8
190.02704	0.4
191.05598	100.0
192.05966	2.4
193.01399	2.0
194.06490	0.3
203.03554	0.6
205.05083	0.8
208.03751	7.1
209.04527	0.7
217.04962	0.4
221.04555	0.5
223.06090	14.2
224.06384	0.8
340.96936	0.4
385.09390	1.2
397.11343	26.0
398.11810	1.5
439.12390	3.9
469.13156	0.4
559.16626	37.4
560.16974	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
57.03436	0.9
59.01379	1.9
60.99299	0.6
61.60756	0.2
61.98830	0.4
62.24381	0.2
64.62394	0.2
65.03962	0.3
67.01887	3.9
69.03460	1.6
69.44185	1.5
71.01374	2.9
72.25175	0.2
75.00866	0.2
77.24948	0.2
78.43196	0.2
81.03464	0.5
81.80514	0.2
83.01383	0.3
83.05018	0.9
85.02949	1.5
87.00864	1.1
89.02446	0.3
93.03455	21.5
94.03744	0.5
95.01353	0.3
96.95997	0.8
97.02956	0.3
99.00872	0.6
101.02438	0.3
103.00360	0.3
109.02944	1.1
111.00867	1.2
111.04520	4.2
113.02446	0.5
115.00341	0.3
117.52699	0.2
119.05029	0.5
121.02975	0.5
125.02460	0.3
127.03996	0.4
133.06569	0.3
135.04579	0.3
137.02432	3.0
147.04509	0.2
149.02417	4.8
151.03949	0.2
152.01123	1.4
155.03479	3.4
161.02350	0.4
163.04013	1.1
164.04787	4.5
165.04010	0.3
167.03493	0.3
169.05005	0.6
173.04532	100.0
174.04874	2.3
177.05553	0.5
179.05779	0.3
179.07114	1.6
185.00912	0.5
191.05600	4.2
193.01414	2.4
203.01942	0.8
208.03746	7.4
222.16312	0.2
223.06096	18.1
224.06425	0.5
257.05569	0.2
385.11395	5.2
397.11581	1.3
482.13397	0.2
559.16522	4.6
560.17712	0.3
566.47498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75312	0.3
53.36600	0.3
59.01361	0.8
67.01888	0.6
69.40573	2.6
70.46824	0.3
71.01376	0.8
73.02938	0.4
75.00840	0.4
81.03468	0.5
83.05012	0.6
85.02930	1.1
87.00867	1.1
88.63612	0.4
93.03437	5.4
96.95994	1.4
96.96978	0.4
103.97069	0.3
111.04510	3.6
113.02420	0.4
113.76579	0.4
119.04995	0.6
121.02930	2.6
127.04021	0.8
129.01929	0.4
133.82541	0.3
134.03654	0.6
135.04486	2.3
137.02426	1.2
147.04518	1.2
149.02426	23.2
149.78513	0.4
150.02776	1.1
151.03992	0.8
152.01147	5.7
155.03502	3.7
163.03989	4.7
164.04776	23.2
165.01932	0.7
165.05083	0.9
167.03517	1.1
169.05069	2.4
173.04532	11.6
173.06035	0.6
174.03226	0.4
177.05643	0.3
179.07120	9.7
191.03539	1.0
191.05589	7.1
191.07224	0.3
193.01411	13.9
205.05223	0.3
207.02968	0.5
208.03738	40.4
209.04060	1.1
223.06088	100.0
224.06381	3.5
247.59201	0.4
265.07199	0.5
273.57535	0.4
311.82349	0.3
379.10291	1.1
385.11356	32.6
386.11771	1.8
397.11319	2.5
559.16620	13.9
560.17218	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63422	0.1
54.68755	0.1
59.01379	0.4
61.98827	100.0
78.95914	0.7
96.23394	0.1
116.92850	0.2
118.66772	0.1
152.99664	0.4
197.39232	0.2
230.88304	0.1
255.23247	1.7
256.23709	0.6
257.23898	0.2
258.24283	0.2
480.30981	1.2
481.31238	0.2
482.32083	0.2
483.31970	0.8
557.32385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54611	0.9
54.72435	0.8
57.03430	0.8
59.01373	8.5
61.98825	4.9
69.03448	1.1
69.72144	4.4
71.01386	6.2
72.99299	0.9
73.02941	2.5
75.00880	1.0
78.95898	2.9
79.95729	1.5
83.01387	0.9
85.02943	3.3
87.00867	4.3
89.02409	1.8
91.05540	1.3
93.03442	7.6
93.76128	0.7
96.96009	23.3
96.96941	3.6
99.00863	1.2
101.02432	2.8
107.05036	1.7
108.02216	1.1
109.02962	1.2
111.39854	0.7
112.05926	0.6
113.02438	2.7
117.03465	1.7
119.05064	1.1
121.02931	1.3
123.04519	2.5
125.02450	1.9
130.99866	1.2
131.05038	7.6
132.02164	21.5
132.05843	3.4
133.02982	10.6
133.06586	67.8
134.03729	20.0
134.06952	2.6
135.04567	4.5
137.02426	1.1
145.02945	1.9
147.04552	1.8
149.04439	0.9
149.04967	0.7
149.06075	5.7
150.03194	0.8
151.04152	0.8
159.04535	2.4
160.01653	90.9
160.79649	0.8
161.02441	27.2
163.04015	2.0
165.05540	1.2
173.04547	4.5
173.05885	1.1
174.03154	1.4
175.03992	100.0
176.04442	3.4
177.05563	36.5
178.02734	1.8
178.59209	0.8
179.03503	5.2
191.05563	2.5
191.07153	4.7
193.05049	17.4
194.05437	1.1
202.02736	1.7
203.03491	35.2
221.04430	1.7
235.06000	1.0
255.05070	1.2
284.03064	1.3
323.07645	13.2
337.09265	37.0
338.09576	2.2
471.16577	13.8
472.16876	1.7
515.15503	40.3
516.15912	3.2
523.34857	1.8
527.11829	1.4
541.13470	10.2
559.14429	45.9
559.33417	9.7
560.14691	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	559.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63227	0.2
55.28386	0.2
57.03440	0.9
59.01381	1.5
60.03815	0.2
60.99298	0.5
61.98826	0.8
67.01891	3.7
69.03468	1.4
71.01379	3.4
71.08678	0.4
72.99310	0.4
74.02516	0.2
78.95919	0.2
81.03464	0.9
83.05024	0.8
85.02940	1.5
85.75018	0.2
87.00874	1.2
88.98788	0.5
89.02473	0.3
93.03457	23.6
94.03757	0.4
95.06174	0.2
96.96021	1.2
97.02940	0.4
98.67567	0.2
99.00883	0.4
99.04515	0.4
105.03482	0.2
108.02196	0.4
109.02950	1.0
111.00864	0.8
111.04515	4.1
113.02472	0.2
119.05039	0.7
121.02964	0.4
125.02450	0.6
127.03976	0.4
130.99849	0.2
133.06656	0.3
135.04526	0.8
137.02434	3.4
149.02446	4.4
152.01118	1.2
155.03493	2.9
161.02455	0.3
161.06078	0.2
163.04019	1.8
164.04803	5.1
164.34227	0.2
167.03525	0.4
169.05086	0.7
173.04541	100.0
174.04906	2.6
177.05589	0.6
179.07126	1.8
185.00941	0.6
191.01978	0.3
191.05602	4.8
193.01414	2.6
193.05069	0.3
203.01973	0.4
208.03757	8.1
209.04065	0.3
221.04485	0.4
223.06108	18.1
224.06442	0.5
232.07414	0.2
385.11398	5.8
386.11862	0.3
397.11319	1.2
559.16302	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03454	0.3
59.01362	0.8
63.96239	1.0
70.26116	0.9
70.26486	0.5
71.01375	5.6
73.02945	1.3
78.98593	6.0
79.95734	7.7
80.96513	56.5
81.03450	1.0
85.02943	2.7
87.00875	2.3
91.04037	0.4
94.98085	13.3
95.35775	0.3
96.96006	0.4
97.02931	1.6
98.20569	0.3
99.00833	0.6
101.02442	2.0
106.98093	3.5
113.02425	0.5
122.97597	2.5
125.02463	2.7
127.04005	1.0
130.01685	0.3
134.97580	4.4
136.99120	1.2
143.03596	0.4
146.97522	0.5
148.99146	4.5
152.98624	5.4
162.83223	0.3
164.98611	11.0
167.00183	0.7
199.05450	0.4
206.99753	1.9
211.01999	0.4
225.00717	14.5
255.23312	2.0
299.04340	2.5
462.40948	0.4
553.91229	0.3
555.28387	100.0
556.28674	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	557.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.4
59.10186	1.6
61.98820	7.2
66.33578	1.7
71.54163	2.9
73.58783	1.8
85.02960	3.7
87.00892	2.0
95.01409	1.9
96.96004	1.6
113.02428	2.2
121.02920	3.3
124.83024	1.8
133.02925	3.0
137.02419	4.8
142.35158	1.6
146.03697	3.2
147.04501	9.6
148.05087	2.1
159.04497	5.0
161.02481	1.7
166.30905	1.7
171.04468	2.5
172.05235	2.5
174.03299	8.8
174.06882	1.8
175.03955	2.2
175.07623	11.9
185.06070	7.7
186.06812	2.9
187.03940	3.5
187.07568	1.9
188.04797	2.0
190.99899	2.7
192.04370	2.8
199.03915	2.6
200.04718	3.3
201.05612	2.4
203.07144	19.7
213.05557	5.2
214.06403	8.5
215.07083	7.2
215.42029	1.6
217.08636	4.6
217.16353	1.8
227.03514	3.2
228.04280	5.2
228.07907	4.6
229.08659	6.8
239.03526	2.9
239.07056	3.2
240.04219	9.4
242.05714	2.5
245.08076	3.9
254.05592	2.3
255.03018	4.2
257.08160	65.6
258.08557	3.0
269.04556	4.8
277.04840	1.9
279.03220	2.2
280.03778	6.0
281.04398	2.1
283.02505	4.7
284.03235	100.0
285.03925	9.7
293.04636	3.6
293.21246	2.4
294.05283	5.9
296.03543	1.9
297.03937	6.0
298.04791	10.1
299.05576	73.7
300.05927	4.5
305.04434	2.1
310.04846	4.8
311.05136	1.9
320.06659	5.4
323.01953	4.9
324.02432	3.1
326.49133	1.8
330.03818	4.7
335.09219	2.6
337.07199	4.1
338.04285	7.7
339.04984	5.7
340.05975	3.8
341.06573	23.4
353.06635	15.3
353.13742	4.3
362.07724	2.2
395.10620	2.0
439.07626	2.8
442.06812	3.8
443.07813	5.9
454.10150	2.4
456.08502	12.8
457.09277	26.0
458.09973	3.3
470.09833	2.0
471.10663	29.0
472.11670	11.1
481.09351	1.9
486.13193	6.7
487.13989	4.5
497.12402	39.3
498.12851	3.4
511.14136	2.4
513.11755	3.4
514.12543	5.0
515.13434	95.2
516.13715	6.9
529.14832	8.7
539.12946	13.6
542.12170	2.0
557.14032	36.0
557.28204	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36938	0.2
54.87001	0.3
55.89845	0.2
59.01366	0.7
61.98831	1.7
68.56943	0.2
69.71960	1.6
72.17657	0.2
78.95902	6.1
79.61329	0.2
80.63287	0.2
152.99588	0.9
165.25229	0.2
168.04280	1.4
173.50459	0.3
179.15500	0.3
224.06900	0.6
242.07976	2.5
279.23260	100.0
280.23602	5.4
280.26660	0.3
432.71237	0.3
504.30933	45.1
505.31161	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89642	0.2
52.18410	0.1
59.01378	22.4
61.98831	0.9
69.34997	1.3
78.95903	18.3
82.29347	0.2
96.96989	0.4
122.98509	0.4
129.46535	0.2
134.98567	0.2
152.99590	3.0
168.04306	3.0
176.88405	0.2
224.06920	8.5
225.07327	0.2
242.07982	1.8
255.23276	100.0
256.23611	5.3
346.46271	0.2
391.22388	0.2
480.30923	71.1
481.31265	5.7
495.27338	0.4
554.34760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76101	0.2
55.01867	0.7
57.03437	2.2
58.00588	3.2
59.01375	59.4
61.98827	0.8
68.99828	0.4
69.03456	0.6
70.91504	0.5
71.01376	28.4
72.01762	0.5
72.02161	3.2
72.02984	0.3
72.99294	3.3
73.02940	1.6
75.00871	0.4
78.95883	0.4
83.01369	1.4
83.05031	0.6
85.02945	6.8
86.90862	0.3
87.00874	2.1
89.02437	28.5
95.01385	2.0
96.95976	0.8
97.06571	0.3
99.00878	0.3
101.02435	16.0
101.06071	2.7
106.04238	0.5
109.02928	0.4
111.04530	0.4
113.02441	10.3
119.03488	9.7
121.39362	0.3
124.05279	0.5
125.02477	0.4
131.03513	1.0
137.02455	0.4
143.03459	1.5
147.04568	0.4
149.04546	0.8
161.04527	2.1
172.30534	0.3
179.05595	3.7
243.17554	0.6
257.19095	0.6
259.20633	3.1
261.22195	41.7
262.22522	2.7
273.22131	0.7
283.20581	0.4
285.19278	0.3
285.22226	1.7
287.20108	3.6
289.21478	0.4
291.23151	0.5
301.21649	1.8
303.19720	1.3
303.23193	9.7
304.23563	0.6
305.21179	31.6
306.21588	1.6
306.66571	0.3
311.20059	0.5
313.18201	0.4
319.22476	1.5
327.19623	0.8
329.21182	4.7
330.21426	0.4
331.19110	12.1
332.19492	0.9
345.20831	2.6
347.22220	100.0
348.22583	6.8
349.20169	16.2
350.20609	1.0
355.18994	0.5
361.23782	1.2
363.21829	0.6
373.20135	9.4
374.20441	0.8
389.23062	1.5
391.21222	85.1
392.21561	6.5
405.22821	0.6
433.22229	8.0
433.28183	0.4
434.22607	0.5
493.24280	1.7
511.25470	2.3
553.26556	45.2
553.35468	4.0
554.26758	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	554.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24842	0.2
59.01374	1.9
61.98827	100.0
69.18494	0.4
69.18916	1.3
71.01379	0.7
73.02952	0.2
75.00875	0.2
75.33386	0.2
83.01386	0.2
85.02968	0.4
87.00880	0.5
89.02444	0.4
93.03452	0.4
101.02479	0.2
102.69743	0.2
109.02956	0.2
113.02413	0.4
117.07303	0.2
119.03574	0.2
119.05054	0.2
124.04032	0.4
127.16737	0.2
129.02069	0.2
137.02449	0.3
147.04488	0.2
149.06055	0.2
156.00647	0.3
157.00981	0.2
163.04007	0.2
165.04071	0.3
165.05569	0.2
166.05116	0.9
168.00859	0.2
173.04599	0.6
175.03996	0.2
176.18449	0.2
184.06149	0.3
187.07729	0.2
191.05679	0.4
193.05032	0.3
227.03598	0.2
255.03030	0.4
271.02472	0.3
284.03314	0.5
299.06094	0.2
329.06796	0.3
387.16553	0.7
447.22775	0.3
490.47720	0.2
491.12125	0.5
511.18549	0.2
554.12604	0.2
554.22943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29716	0.4
59.01376	10.7
61.34890	0.4
61.98835	3.3
71.01385	2.5
71.16814	0.7
73.02952	0.7
78.95921	0.9
85.02930	0.8
89.02438	1.9
96.96000	0.7
101.02438	2.4
104.38667	0.4
113.02433	1.7
116.79759	0.5
133.05103	0.5
161.04597	0.9
232.49324	0.5
235.08234	3.6
253.09271	10.9
254.09549	0.5
255.23270	100.0
256.23596	5.0
346.78827	0.4
491.32202	0.5
497.77753	0.5
529.94788	0.5
560.70148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.2
61.98821	4.2
66.91891	0.5
70.46674	1.4
71.01377	2.3
73.02938	0.9
78.86363	0.5
78.95898	5.1
89.02421	2.3
101.02437	3.6
105.32981	0.6
113.02443	1.3
119.03510	0.9
120.86119	0.6
123.12537	0.6
133.28700	0.5
148.17564	0.6
152.99590	1.4
161.04617	1.1
165.98984	1.1
235.08154	2.7
253.09280	12.0
255.23276	100.0
256.23621	5.0
279.23401	1.5
373.83780	0.7
470.20224	0.6
491.32443	1.0
525.17407	0.6
551.23718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65508	0.4
59.01374	1.3
61.98822	2.8
71.54154	0.5
78.95474	0.7
78.95899	6.5
84.01579	0.4
88.42311	0.4
113.06410	0.5
152.99570	1.1
155.94673	0.5
168.04318	1.7
204.16637	0.4
224.06810	1.2
242.07928	3.0
259.20657	0.7
275.20294	0.5
277.21689	100.0
278.22046	6.3
307.83704	0.5
323.77811	0.4
383.97037	0.6
502.29343	45.9
503.29788	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	553.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01371	6.2
61.98816	3.9
71.01360	2.6
71.98916	0.6
72.99289	0.7
73.02941	1.2
75.00859	1.4
82.84207	0.7
85.02924	1.9
87.00874	14.4
88.98796	1.3
89.02434	1.2
93.03479	1.5
94.72843	0.7
96.96007	5.2
99.00877	1.2
101.02445	1.3
109.02945	1.6
113.02469	0.8
116.90025	0.6
117.03444	1.9
119.05032	1.1
125.02466	0.8
129.01933	0.9
130.99832	1.2
132.02158	0.8
133.02921	1.4
134.03711	3.1
135.00922	0.6
135.04506	3.2
141.16106	0.6
145.02942	6.8
146.03705	1.0
147.04460	3.8
148.04173	0.7
148.05321	0.8
149.02446	0.9
149.04575	1.6
149.06055	4.2
159.04459	1.3
161.02477	3.3
163.03954	1.3
165.01875	0.8
165.04016	4.1
165.05344	0.6
166.29929	0.7
171.04457	1.0
173.06076	1.0
175.04007	1.8
187.04004	2.0
188.04778	1.0
191.03479	2.2
192.86349	0.8
193.05029	2.1
196.05379	0.8
199.04013	0.9
199.75705	0.7
201.05434	1.1
212.04710	0.8
213.05548	1.3
214.02713	1.6
215.03349	1.4
217.01527	0.7
219.02940	2.7
221.04552	5.8
226.02618	0.7
227.03499	4.0
228.04367	0.7
240.04057	1.0
240.09216	0.7
241.04971	1.5
241.09099	0.8
242.02231	2.7
242.05737	1.0
243.02975	15.4
243.10271	2.5
244.01324	1.4
244.03755	28.6
245.04208	1.5
251.03316	1.1
253.01242	0.7
255.02974	2.7
255.11368	2.6
257.04456	2.6
267.02942	1.3
269.04468	2.1
270.05331	17.4
271.02426	7.5
271.05627	1.5
272.03223	12.1
273.12238	0.9
279.02792	0.8
284.03214	2.7
285.03964	4.0
285.07108	1.2
286.04788	4.0
295.02341	1.0
296.03287	2.8
297.03970	2.3
297.14865	2.2
298.04785	1.1
299.02286	1.3
299.05469	1.4
311.05585	1.6
313.03525	4.8
314.04294	1.4
315.09909	1.8
317.11411	8.7
319.06055	1.1
323.16449	0.8
331.08395	0.9
340.02151	2.6
341.02924	1.6
341.17535	1.5
343.05975	1.4
344.06888	1.2
345.07657	2.5
347.05603	1.9
349.07211	1.1
355.04623	3.1
359.05560	1.5
360.06091	0.8
361.07062	1.8
363.04993	0.9
371.05615	1.8
377.06628	3.6
378.07443	6.2
387.05139	2.1
388.05823	5.8
389.06668	4.0
391.04468	3.5
403.08203	2.7
405.06104	2.0
406.06897	46.8
407.07269	3.2
412.05966	1.9
414.07431	4.6
417.06085	2.1
419.07651	0.9
421.09244	32.7
422.09561	2.3
429.09598	2.3
431.07666	1.0
432.08566	2.0
447.10733	6.3
449.08667	2.5
458.06149	2.2
463.10312	12.5
464.10587	1.2
473.08884	4.7
477.21475	1.4
491.09726	18.0
492.10254	1.6
493.07709	23.9
493.14951	1.2
494.08163	1.9
499.07446	0.8
509.10516	1.1
517.07733	25.4
518.08014	3.5
535.08240	1.7
553.09814	100.0
553.23376	3.9
554.10181	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	551.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30049	9.3
59.01362	19.3
61.98827	60.9
69.20910	100.0
82.56945	10.1
85.02948	10.3
86.68848	9.1
88.75948	8.6
93.35827	10.6
98.19929	22.2
327.71609	9.1
330.37738	10.0
347.86752	9.8
457.41537	10.2
516.06451	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	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95087	0.4
55.01876	0.7
57.03435	2.7
58.00598	0.4
59.01376	19.6
61.98825	0.9
62.81506	0.4
67.01872	0.6
68.99800	1.5
69.03457	1.1
69.50929	1.3
69.51363	1.6
71.01377	15.9
72.99300	3.9
73.02933	1.5
75.00867	14.4
81.03442	0.8
83.01373	1.1
83.04987	0.4
84.02141	0.4
85.02945	19.0
86.03230	0.5
87.00877	7.0
89.02438	5.7
90.45071	0.4
91.03997	1.2
93.03446	1.4
95.01377	4.1
97.02946	0.4
97.06565	0.6
98.16324	0.4
98.20741	0.4
99.00877	6.7
101.02429	1.7
103.00372	2.3
111.00894	0.7
111.04485	0.7
111.08145	1.0
112.01611	0.7
113.02444	23.6
115.00368	1.9
117.01916	1.8
119.93536	0.4
125.02473	0.5
129.01901	1.7
129.87480	0.4
131.03453	0.6
133.02922	0.9
135.02998	0.6
137.02408	0.8
145.02921	0.4
149.04539	1.0
157.01352	1.1
161.02423	1.7
165.12836	12.6
173.04559	1.2
175.02516	2.2
175.03796	0.4
176.96609	0.4
183.13887	33.5
184.14197	1.0
196.05188	0.5
205.07127	0.8
207.05011	0.9
208.84962	0.4
209.11790	1.6
223.08211	0.6
227.12868	3.3
231.05083	1.1
233.53911	0.6
249.06116	12.0
267.07184	37.5
268.07471	0.9
293.74652	0.4
301.16656	2.7
339.16049	1.1
375.16476	0.9
415.19736	1.1
432.10138	0.5
447.25378	0.4
459.18890	0.9
475.20435	0.4
477.19836	1.0
491.21359	0.6
507.27957	4.7
533.22491	1.7
551.23413	100.0
552.23761	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	551.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.58944	1.1
57.03427	4.5
58.00565	2.5
59.01377	43.7
61.98813	1.7
69.03420	1.4
69.47714	2.3
69.48115	5.8
71.01377	41.4
72.99284	1.3
73.02946	12.0
75.00842	2.0
83.01382	4.7
85.02941	17.9
87.00874	11.9
89.01937	1.5
89.02439	22.5
93.03420	1.9
95.01348	4.4
97.02899	2.9
97.06554	1.5
99.00832	4.4
101.01809	1.5
101.02436	27.3
111.00858	1.4
111.08131	2.3
113.01726	1.7
113.02447	19.7
115.00266	1.0
119.03523	6.1
119.05036	1.2
125.02390	1.3
131.03505	1.6
133.02870	1.3
143.03424	3.3
143.37445	1.0
147.04460	2.8
149.04581	1.3
149.05945	1.4
159.02933	2.7
161.02390	3.9
161.04521	12.1
165.12831	41.1
167.14388	1.4
173.04475	1.9
179.05537	3.9
183.13889	98.8
184.14130	3.0
191.03506	1.5
191.05397	0.9
193.04881	1.0
195.13838	1.6
197.15443	12.7
207.13972	6.6
209.11852	8.8
225.15025	6.7
227.12877	100.0
228.13203	4.8
251.12920	7.0
269.13922	12.2
298.01248	1.6
299.01917	1.8
299.14990	10.7
313.03412	2.5
321.14542	1.4
329.06885	2.2
329.16028	30.8
330.16473	2.3
334.63702	1.1
339.15753	1.9
341.10938	9.6
343.07962	3.2
353.15973	1.2
371.16913	1.1
377.10693	1.3
389.18158	76.0
390.18637	5.9
491.31693	1.2
507.27533	3.2
526.60657	1.0
551.23071	70.8
551.77728	2.7
552.23615	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15244	0.7
55.01882	1.2
57.03437	1.4
58.00597	4.2
59.01378	100.0
60.01727	1.0
60.99305	14.5
61.98836	2.8
62.21484	0.8
69.54604	0.6
69.54907	5.1
71.01380	61.6
72.99308	5.1
73.02952	2.3
77.87133	0.8
83.01400	2.4
85.02950	9.7
87.00878	6.7
88.22047	0.8
88.98805	89.9
89.02441	93.1
93.03463	1.3
95.01395	4.5
97.02981	0.8
99.00872	1.1
101.02439	36.0
109.02982	2.0
113.02455	26.9
113.03249	1.3
115.04076	0.8
115.90755	0.7
117.03455	0.8
119.03501	42.1
119.04917	1.6
121.02978	2.7
123.04540	1.5
125.02496	1.1
131.03513	4.7
131.05060	0.8
133.02994	1.0
134.03763	1.5
137.02486	2.1
138.03236	1.1
143.03497	6.3
145.02971	5.1
147.04544	2.8
149.04681	4.4
149.06027	5.6
153.05659	1.1
159.04524	2.4
161.02483	4.6
161.04552	8.2
162.03183	1.1
163.03992	1.4
173.04671	1.7
173.06105	3.2
175.03996	7.3
177.05591	2.1
179.05609	19.7
179.07175	1.0
187.04010	4.2
187.07715	0.9
189.05611	1.0
190.06413	2.7
191.07213	1.7
193.05127	2.6
202.06406	2.5
203.06984	1.1
205.05060	6.3
205.08618	1.2
208.07532	1.2
219.03076	2.9
219.06607	0.8
220.07379	6.5
221.07806	0.8
235.09683	5.4
236.10291	0.7
239.07948	0.8
265.07150	0.8
269.13068	1.9
279.07007	1.0
293.08347	0.8
294.98123	0.8
311.09286	5.1
314.82547	0.7
325.10861	1.2
326.11636	4.2
341.10132	1.1
341.14127	2.2
356.12967	0.9
359.15250	3.1
371.14978	36.8
372.15567	3.1
376.28015	1.0
433.14630	1.4
507.17905	1.1
533.16089	3.0
534.87384	1.0
551.22137	7.9
551.31244	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15244	0.7
55.01882	1.2
57.03437	1.4
58.00597	4.2
59.01378	100.0
60.01727	1.0
60.99305	14.5
61.98836	2.8
62.21484	0.8
69.54604	0.6
69.54907	5.1
71.01380	61.6
72.99308	5.1
73.02952	2.3
77.87133	0.8
83.01400	2.4
85.02950	9.7
87.00878	6.7
88.22047	0.8
88.98805	89.9
89.02441	93.1
93.03463	1.3
95.01395	4.5
97.02981	0.8
99.00872	1.1
101.02439	36.0
109.02982	2.0
113.02455	26.9
113.03249	1.3
115.04076	0.8
115.90755	0.7
117.03455	0.8
119.03501	42.1
119.04917	1.6
121.02978	2.7
123.04540	1.5
125.02496	1.1
131.03513	4.7
131.05060	0.8
133.02994	1.0
134.03763	1.5
137.02486	2.1
138.03236	1.1
143.03497	6.3
145.02971	5.1
147.04544	2.8
149.04681	4.4
149.06027	5.6
153.05659	1.1
159.04524	2.4
161.02483	4.6
161.04552	8.2
162.03183	1.1
163.03992	1.4
173.04671	1.7
173.06105	3.2
175.03996	7.3
177.05591	2.1
179.05609	19.7
179.07175	1.0
187.04010	4.2
187.07715	0.9
189.05611	1.0
190.06413	2.7
191.07213	1.7
193.05127	2.6
202.06406	2.5
203.06984	1.1
205.05060	6.3
205.08618	1.2
208.07532	1.2
219.03076	2.9
219.06607	0.8
220.07379	6.5
221.07806	0.8
235.09683	5.4
236.10291	0.7
239.07948	0.8
265.07150	0.8
269.13068	1.9
279.07007	1.0
293.08347	0.8
294.98123	0.8
311.09286	5.1
314.82547	0.7
325.10861	1.2
326.11636	4.2
341.10132	1.1
341.14127	2.2
356.12967	0.9
359.15250	3.1
371.14978	36.8
372.15567	3.1
376.28015	1.0
433.14630	1.4
507.17905	1.1
533.16089	3.0
534.87384	1.0
551.22137	7.9
551.31244	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39573	0.6
55.01879	1.1
57.03445	6.8
59.01375	7.8
63.95265	0.7
64.63422	0.6
71.01384	6.4
71.53373	1.0
72.50811	0.6
72.99287	0.9
73.02959	1.9
80.82761	0.6
83.01383	2.9
85.02943	10.3
87.00336	1.6
87.00874	30.0
89.02442	3.8
99.00874	5.2
101.02408	1.4
111.00840	1.1
113.02444	1.2
115.04021	2.0
117.01952	2.7
125.02411	0.9
129.01942	17.1
142.26462	0.8
144.06654	0.8
147.03029	0.9
153.90248	0.7
159.02974	3.8
165.04042	1.4
191.01997	2.1
191.05641	0.9
207.04982	1.0
209.06654	100.0
210.06958	2.7
222.32323	0.7
314.54431	0.7
497.34415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Alboside I
Peak:m/z	Relative Intensity
59.01375	21.7
61.98829	3.6
69.42776	7.8
71.01381	9.6
72.99306	2.2
73.02938	3.3
75.00834	1.1
83.01408	2.2
85.02950	5.7
87.00887	5.8
89.02444	6.1
89.03967	2.1
92.01933	0.9
92.15080	0.9
93.03463	2.9
95.01397	1.1
95.04943	0.9
96.96001	2.5
98.19900	1.8
99.00869	1.2
99.04552	1.1
101.02444	6.3
106.34982	0.9
108.02171	3.8
109.02972	1.5
111.00882	1.1
113.02430	5.3
117.03466	13.5
119.05042	5.5
121.02960	3.2
122.03747	3.0
123.04523	3.1
125.02478	1.3
132.02173	25.0
133.02959	13.6
134.03737	66.1
135.04532	6.0
136.01665	2.5
137.02441	4.5
145.02950	41.1
146.03766	10.0
147.04523	17.8
148.05269	3.1
149.02443	3.2
149.06068	14.1
150.03207	1.3
151.04033	2.0
160.01651	95.7
161.02434	47.9
161.04510	1.9
161.05959	1.3
162.03221	53.4
163.04013	7.6
164.04779	1.8
165.05551	2.7
173.04565	2.6
173.06033	4.1
174.03253	1.2
175.03992	100.0
176.04771	20.7
177.01929	4.5
177.05547	18.0
178.02727	8.1
179.03464	1.5
180.04233	3.8
189.01962	1.5
191.05620	1.6
191.07120	29.8
192.04242	2.8
192.07515	1.8
193.05040	88.9
194.05347	2.9
195.06644	5.2
202.02951	1.6
207.06589	9.4
217.05066	3.3
219.06720	1.2
220.03764	3.5
221.04398	1.6
221.08215	1.1
223.04527	1.4
235.06093	82.9
236.06453	4.1
265.04343	1.6
265.07156	30.9
295.08200	43.9
296.08594	1.4
337.09225	2.1
347.15042	12.7
348.05841	1.1
355.10275	12.2
357.11917	1.3
389.15982	1.4
533.16608	62.3
534.16754	6.5
551.17432	24.7
551.30750	4.6
552.17871	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	551.1771
Annotation	Alboside I
Peak:m/z	Relative Intensity
53.23968	1.0
57.03438	1.3
59.01116	1.3
59.01384	19.1
61.98813	4.7
69.18592	7.6
69.19008	4.3
71.01383	11.3
72.99294	2.4
73.02946	3.1
75.00880	1.8
83.01406	1.3
85.02959	7.0
87.00892	7.1
89.02426	5.4
89.03942	2.9
93.03449	3.5
96.96011	2.6
98.19799	2.1
99.00893	2.2
101.02435	7.2
108.02162	3.4
113.02445	6.4
117.03467	13.3
119.03444	2.3
119.05009	5.0
119.66309	1.3
121.02962	2.6
122.03780	1.2
123.04521	2.0
125.02422	4.2
131.11221	1.4
132.02167	19.7
133.02948	12.1
134.03746	63.8
135.04578	8.5
136.01648	1.7
137.02399	3.4
139.04007	1.6
142.04282	1.1
142.11586	1.4
145.02959	43.6
146.03746	8.4
147.02893	1.0
147.03281	1.5
147.04524	21.3
148.05249	4.1
149.02443	3.7
149.04575	2.4
149.06067	13.2
151.04001	1.8
153.05597	1.6
158.03658	2.1
160.01657	88.0
161.02443	45.6
162.03227	49.5
163.04071	6.5
164.04846	1.4
165.05518	2.3
173.04572	2.3
173.06053	4.0
174.03185	1.4
175.03998	100.0
176.04788	19.4
177.01973	2.7
177.05562	22.3
178.02689	6.9
179.03560	2.3
180.04285	7.0
188.04820	1.9
189.01923	2.4
189.05501	3.7
190.06329	8.5
191.02045	2.0
191.05748	1.4
191.07123	33.6
192.04225	2.2
193.05048	85.2
194.05609	3.1
195.06635	6.3
205.03416	3.2
205.08620	6.3
207.06642	11.7
208.07262	6.1
217.05058	3.7
219.06487	2.6
220.03772	3.5
221.08205	1.3
223.04520	6.9
235.06110	85.6
236.06470	3.0
236.38972	1.6
265.07150	36.1
266.07541	1.9
295.08252	41.4
296.08569	1.5
337.09213	3.9
344.12656	1.7
355.10315	13.3
357.11700	2.2
359.14993	42.2
360.15042	1.8
533.16638	64.1
534.16656	4.8
551.17621	13.8
551.31146	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	551.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42596	0.7
59.01371	5.0
61.98816	3.3
65.00331	2.0
71.01368	1.9
78.95890	0.8
85.02916	0.9
87.00880	2.1
98.19870	2.5
99.04470	0.8
107.91245	0.7
119.00652	0.7
119.01358	4.2
122.40040	0.7
124.56861	0.8
133.02957	2.7
136.98816	3.3
145.02838	0.8
147.00899	2.1
147.04498	1.0
157.02910	0.7
164.01140	0.9
164.98242	2.0
170.03754	0.9
171.04559	2.1
175.03947	1.1
179.03500	6.8
182.03569	0.8
185.02333	1.0
186.03145	2.2
187.03986	2.1
197.02393	1.1
198.03201	4.0
199.03963	5.0
200.01141	1.9
201.01999	0.9
202.02577	1.0
207.02966	23.4
208.03577	1.1
213.01901	1.7
214.02711	2.1
215.03452	1.9
222.05302	20.0
223.05653	0.8
225.01805	1.5
226.02681	2.5
227.03461	5.6
229.35446	1.1
237.07671	32.1
238.07870	0.8
241.01352	1.0
242.02145	2.2
243.02969	2.6
253.01366	1.2
255.02902	1.6
269.00671	1.0
270.01633	13.2
271.02448	30.6
272.02750	0.8
285.04059	7.9
298.01160	18.8
299.01938	20.0
300.02481	2.9
313.03506	100.0
314.04065	5.8
358.91611	0.8
536.09131	1.5
551.11713	7.5
551.38153	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	551.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
57.03441	3.0
57.94911	1.0
59.01380	39.3
61.98817	3.5
69.54272	5.4
69.54680	2.6
71.01392	11.2
73.02915	3.7
75.00857	2.4
83.01389	1.8
85.02957	9.3
87.00880	5.9
88.98798	8.2
89.02411	5.3
93.03426	1.5
95.01349	1.5
96.95950	1.5
98.19958	2.3
99.00837	1.9
101.02434	6.3
108.02117	1.7
109.02950	1.3
111.00819	1.5
113.02391	4.3
117.03400	1.9
119.04974	1.4
129.01898	1.4
132.02095	1.4
133.02954	30.4
134.03630	4.7
135.04539	6.8
136.98834	2.9
137.02417	2.3
145.02910	5.2
149.04469	2.2
149.06027	2.2
152.01030	1.9
159.02913	1.6
160.01541	1.8
161.02441	100.0
162.02673	1.9
163.03954	1.9
165.04016	2.7
165.05377	1.8
171.04417	2.8
173.04431	3.8
175.03914	4.6
178.02675	2.4
179.03412	4.5
180.04176	1.3
191.05524	1.5
193.05017	12.7
194.05438	1.3
209.02846	2.3
215.03386	1.6
223.06108	1.6
226.02811	1.4
227.03427	3.4
255.02763	1.6
269.04349	1.3
270.01465	4.6
270.04898	1.4
270.91394	1.5
271.02252	2.7
285.03906	4.3
298.01239	13.0
299.01889	6.0
311.08340	1.3
313.03503	35.6
314.04251	26.2
315.04807	1.9
328.05588	5.2
329.06644	39.1
330.07037	2.4
341.09805	1.5
371.13998	2.2
375.27469	3.2
376.27792	8.7
377.27945	2.6
397.76697	1.2
461.07059	5.9
476.09479	7.8
491.11926	47.9
492.12189	2.9
507.28326	1.5
550.32751	2.9
551.24518	81.0
551.30896	8.5
552.24792	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17892	0.5
59.01377	13.3
60.81249	0.5
60.99301	16.4
61.98817	1.1
67.02651	0.6
70.45564	0.9
70.45910	0.8
71.01376	6.8
72.99310	1.9
73.02932	0.9
75.00850	1.2
81.03442	1.4
83.01372	0.7
85.02943	3.2
87.00861	4.0
88.98801	100.0
89.02438	16.5
93.03475	1.1
99.00859	1.2
101.02456	3.8
108.02166	0.7
109.02927	1.0
113.02454	3.5
117.03460	1.0
119.03486	3.5
122.03918	0.5
125.02473	2.6
129.01936	1.8
131.03523	0.6
132.02165	1.4
133.02943	0.7
134.03731	5.5
135.04532	0.7
137.02478	0.9
139.11266	1.0
141.82947	0.6
143.03484	1.3
145.02921	3.4
146.03635	0.7
147.03052	0.7
147.04480	2.7
149.04541	2.0
149.06061	2.3
159.33257	0.5
160.01651	7.2
161.02428	4.2
161.04510	1.2
162.03242	3.6
163.03976	0.7
165.04088	0.8
173.04532	1.8
174.03236	0.6
175.03975	9.6
176.04741	2.1
177.01834	0.5
177.05537	1.9
179.05664	1.3
191.05611	0.7
191.07155	2.2
193.05037	8.6
195.06609	0.5
201.11279	0.8
205.03497	2.3
205.05173	0.7
219.02977	1.2
220.03500	0.6
223.04610	6.4
235.06075	6.3
237.03929	0.7
244.95551	0.5
248.93730	0.5
265.07181	2.5
269.12924	0.8
295.08264	3.0
299.05432	0.7
337.09485	1.2
355.10220	1.2
371.14914	2.2
377.17880	0.9
461.10666	1.1
503.15573	0.8
533.16443	7.1
534.16913	0.6
551.17029	2.1
551.24866	0.5
551.31165	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	549.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70836	0.1
57.03441	0.1
59.01381	1.6
61.98822	0.8
71.01374	1.0
72.99306	0.2
73.02940	0.3
75.00853	0.2
78.95903	1.7
79.95733	2.5
81.03448	0.1
83.01391	0.2
85.02940	1.0
87.00881	0.4
89.02448	0.6
93.03452	0.7
96.96007	100.0
96.96884	3.5
97.95955	0.3
99.00859	0.2
101.02439	0.6
109.02940	1.1
111.00803	0.2
113.02446	0.3
119.05013	0.3
121.02988	0.1
123.04544	0.3
125.02460	0.1
126.51038	0.1
137.02420	0.2
137.09706	0.6
145.03014	0.2
147.04504	0.2
149.04796	0.2
149.06061	1.1
152.01163	0.2
155.10789	0.5
161.02440	0.3
161.04611	0.2
163.04002	0.3
165.04097	0.1
165.05466	0.1
167.03513	0.4
173.04526	0.9
175.04004	0.2
191.01945	0.2
191.05623	0.5
193.04982	0.8
209.03001	0.2
213.05644	0.1
219.02968	0.5
229.49045	0.1
267.07297	0.1
284.03275	0.2
299.05438	0.1
310.01248	0.2
310.04883	0.2
311.07727	0.3
351.05069	0.5
361.29898	0.1
375.16675	0.8
549.13580	0.2
549.21637	1.0
549.28986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03448	2.8
58.00615	0.3
59.01379	100.0
60.01716	0.8
61.01810	0.3
61.98830	1.0
69.03455	0.8
70.09177	0.5
71.01382	12.9
72.01727	0.3
72.99332	0.6
73.02947	4.4
75.00878	0.5
78.95892	0.3
83.01396	4.2
85.02950	9.3
85.03468	0.4
85.06586	0.4
86.00108	0.3
87.00861	2.0
89.02456	1.0
93.03466	0.5
95.01386	2.3
97.02950	1.1
99.00874	1.9
99.04526	0.9
101.02443	9.2
109.02940	0.4
111.00872	1.3
112.01675	0.4
113.02452	6.3
115.03972	0.4
121.03011	0.5
124.01665	0.2
125.02454	1.3
129.01942	0.5
130.99863	0.3
132.02202	0.3
133.02921	0.2
133.54121	0.2
134.03740	0.4
135.04529	2.4
137.02449	0.5
143.03476	1.1
147.04498	0.9
149.06059	0.2
153.05656	0.2
159.02974	0.8
160.01649	1.0
161.04555	1.6
165.03995	0.2
165.24850	0.2
173.04607	0.2
173.06085	0.3
175.03944	1.0
175.07506	0.3
179.07155	0.3
187.04001	0.3
192.04295	0.3
193.04973	0.3
201.05530	0.4
201.09210	0.3
202.06282	0.4
211.13527	0.3
211.17001	0.4
213.18590	2.5
229.08723	0.4
230.09406	0.4
246.70976	0.2
299.25885	2.2
301.10794	2.7
311.26001	0.3
320.67303	0.2
327.29111	0.6
345.30075	5.4
346.30328	0.4
387.31268	0.3
441.32336	0.7
452.16562	0.3
453.31821	0.2
459.33133	0.7
487.32532	0.2
489.34308	62.4
490.34644	5.4
507.35352	26.9
508.35635	1.8
549.19543	0.2
549.27289	0.6
549.36328	2.8
550.36578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
57.03439	1.5
58.40535	0.7
59.01370	3.1
60.70110	0.6
61.98831	5.1
66.71341	0.6
71.01382	2.3
71.22769	1.0
75.86012	0.6
78.95916	1.6
82.26334	0.7
82.97387	0.6
85.02950	10.7
87.00858	2.2
89.02448	1.5
93.03462	2.1
95.05030	0.7
96.96005	5.6
96.96947	1.6
101.02448	1.0
108.02181	2.5
109.02970	2.3
113.02435	0.8
119.05060	1.4
121.02936	1.2
121.06592	2.0
122.03735	1.4
123.04522	4.2
125.02464	1.0
129.01942	1.2
130.04245	1.0
131.04987	2.0
134.03758	1.4
136.94661	0.7
137.02429	0.9
139.04004	0.9
147.03015	1.8
147.04517	6.5
148.05318	7.7
149.06073	100.0
150.06407	2.8
151.04036	1.4
160.44708	0.7
163.03983	0.8
165.04169	0.7
165.05612	1.9
167.03394	0.7
173.04607	3.4
191.02003	4.2
191.03525	0.7
191.05553	2.3
193.05049	42.0
194.05417	1.1
209.03017	3.1
237.04030	79.4
238.04388	2.2
255.16281	0.6
261.06107	0.7
343.11688	0.8
357.09726	3.1
369.71594	0.7
492.84140	0.7
549.14838	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	549.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03447	1.8
59.01376	54.3
60.99290	6.6
61.98823	4.7
67.01888	2.1
69.03422	1.3
71.01373	15.2
71.54437	1.0
72.99293	1.6
73.02939	3.4
75.00856	2.1
83.01389	1.6
85.02944	6.4
87.00870	4.7
88.98800	42.3
89.02436	14.9
93.03452	11.9
95.01387	1.7
97.06594	0.7
99.00910	1.2
99.93020	0.8
101.02435	8.7
107.01338	0.8
108.72684	0.7
109.36852	0.7
111.00898	0.9
111.04513	2.5
113.02443	6.5
114.14470	0.7
117.03446	1.3
119.03507	4.0
119.04990	1.2
121.02943	1.4
123.04556	1.0
129.01949	1.0
132.02168	2.0
133.02945	31.9
134.03731	1.8
135.04521	5.6
137.02414	1.2
145.02943	2.4
149.02396	1.6
149.04521	2.3
149.06055	1.7
150.03195	3.5
153.01991	1.0
155.03470	1.1
160.01601	2.0
161.02428	100.0
161.61356	0.7
162.02773	1.8
163.04118	0.8
163.11273	8.6
165.04167	0.8
165.05565	2.6
165.98972	0.8
173.04524	7.8
174.04858	1.6
175.04021	2.0
177.05626	1.5
179.03465	3.8
191.05580	1.6
193.05035	1.6
195.06516	1.1
207.10275	7.4
208.10767	0.7
221.04613	1.5
225.11212	0.8
227.03516	1.5
229.87808	0.8
255.02975	3.1
256.03531	1.0
284.03250	3.6
285.03720	1.4
339.08762	1.0
369.13342	1.1
374.25885	0.9
375.27429	11.7
387.16580	76.4
388.16821	3.7
401.25830	1.5
407.61343	0.8
417.21167	0.9
445.24387	1.5
450.61786	3.1
451.12247	0.9
487.06824	1.2
505.26486	2.1
524.64520	1.8
548.31415	3.4
549.19940	54.3
549.32214	13.2
550.19922	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	549.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03438	1.5
59.01373	12.3
60.99301	15.8
61.98817	1.0
66.48184	0.4
67.01880	1.7
69.03439	0.7
71.01376	10.5
73.02933	4.1
76.18639	0.4
81.03455	0.6
83.01388	1.1
85.02939	4.6
87.00863	1.9
88.98797	100.0
89.02435	5.6
89.99162	0.7
90.83481	0.5
93.03452	10.6
93.31362	0.5
95.01383	0.5
95.39352	0.5
95.61759	0.5
98.19946	1.2
99.00848	1.6
101.02444	4.9
102.35100	0.4
109.02929	0.8
111.00858	0.6
111.04516	1.9
113.02439	3.4
115.04008	0.6
119.03468	0.9
125.02401	0.7
131.03503	1.3
137.02417	2.2
143.03371	0.5
147.04459	0.5
149.04538	4.1
149.05637	0.5
155.03513	1.7
161.02467	3.5
161.04535	2.0
173.04529	36.8
174.04932	0.8
177.01907	1.4
189.01956	0.6
191.05582	1.1
255.02963	0.7
284.03165	0.6
297.12564	0.5
312.02747	0.9
327.05084	1.6
329.23349	0.6
371.03986	1.0
375.27460	16.6
376.27966	0.8
401.18161	0.5
401.25330	0.6
417.24930	3.2
445.24475	0.4
487.06696	0.9
505.26605	1.7
549.31946	17.7
550.32611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
52.87358	0.5
57.03430	1.1
59.01381	7.2
61.71403	0.5
61.98808	1.6
69.03461	0.5
72.99313	0.6
73.02942	0.8
75.00862	0.7
84.11699	0.5
85.02937	2.1
87.00858	1.3
89.02425	1.4
93.03464	2.7
95.01423	0.5
96.96013	0.8
101.02436	1.6
107.01333	1.2
108.02168	0.5
109.02918	1.0
111.00881	1.1
111.04508	0.6
113.02397	0.9
119.05025	0.9
125.02416	0.7
132.02197	0.6
132.79628	0.5
133.02876	0.5
135.00879	1.2
135.04514	0.6
137.02408	0.8
145.02957	1.2
147.04543	0.5
149.04544	2.0
151.00334	2.2
159.04480	0.6
161.02434	1.7
163.00375	1.4
163.04066	0.9
165.01956	0.5
171.04471	0.7
173.04556	1.4
178.99744	0.6
185.06062	1.4
187.03969	2.0
191.01878	0.7
191.03729	0.5
191.05594	2.0
193.05045	0.6
194.98857	0.5
195.04526	0.5
198.03230	0.8
199.03963	1.0
201.05609	0.6
206.02966	0.5
211.03973	2.1
212.04871	0.5
213.05548	1.0
214.02705	0.6
227.03479	31.7
228.03912	1.3
229.05006	5.8
239.03505	1.1
241.05046	1.1
243.02840	0.5
253.01534	0.7
254.02205	0.8
255.02969	56.0
256.03604	6.8
257.04492	4.5
271.06296	1.1
281.00897	1.0
282.01678	4.1
283.02441	1.3
284.03238	90.4
285.03973	43.4
286.04370	2.1
298.01135	3.9
299.02057	2.7
300.02686	1.3
301.07071	1.7
309.00409	0.7
310.01154	13.4
311.01901	1.0
325.03494	1.4
326.00497	1.1
328.02234	0.6
338.00546	3.4
371.05508	0.6
375.27579	1.2
419.03983	1.5
444.04663	2.4
459.07047	0.7
475.06738	6.9
487.06686	24.1
488.07034	2.5
505.07727	2.1
510.28708	0.6
531.05548	0.8
549.12500	100.0
550.12695	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	548.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14211	0.1
57.03451	0.4
58.46807	0.1
59.01384	1.4
61.98829	100.0
70.37130	0.1
71.01379	1.2
71.54452	0.2
71.59160	0.1
72.39987	0.1
72.99281	0.1
73.02903	0.2
78.95930	0.2
83.01387	0.2
83.20653	0.1
85.02949	2.8
87.00880	1.0
89.02479	0.7
93.03474	0.6
96.96006	0.7
99.00875	0.3
101.02464	0.5
111.00862	0.2
111.04529	0.2
113.02483	0.5
119.05058	0.4
120.01291	0.2
121.02972	0.2
123.04541	0.2
125.02459	0.2
128.03481	0.1
129.01923	0.2
129.59027	0.1
130.86641	0.1
134.03738	0.2
135.04541	0.2
137.02403	0.2
138.05649	0.2
144.06718	0.3
147.02998	0.4
147.04550	0.6
148.05066	0.1
149.06065	0.6
151.04076	0.2
154.57106	0.1
155.03543	0.2
155.10823	0.2
161.02461	0.2
161.04622	0.2
163.04031	0.2
165.05685	0.2
172.09717	0.2
173.04523	0.8
175.03998	0.2
177.05605	0.4
179.03503	0.2
179.05627	0.2
189.05641	0.5
191.02029	0.9
191.05605	0.4
193.05098	0.3
199.07733	0.3
209.03091	0.6
217.08815	0.2
221.04526	1.3
243.06601	0.4
247.24742	0.2
315.86655	0.1
357.10052	0.4
374.15079	0.1
431.19717	0.2
441.14166	0.6
485.12924	3.5
486.14252	0.2
487.75470	0.1
530.16437	0.5
548.13373	0.7
548.20825	0.3
549.22614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13153	1.2
59.01374	100.0
59.24250	1.2
61.98816	4.2
64.12601	1.2
71.05026	1.2
78.95863	1.2
96.95990	1.9
136.49300	1.1
151.07608	1.5
315.26941	2.4
330.32349	1.8
341.28412	6.4
392.77219	1.3
397.31375	2.8
433.34760	2.2
449.34259	12.9
450.33878	1.5
451.35760	2.0
467.35236	18.2
469.36841	10.1
487.37924	41.7
488.38153	5.6
570.53540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08469	0.9
59.01374	38.7
61.87712	0.8
61.88827	0.9
63.76887	1.0
68.07633	0.8
70.17757	2.0
70.18116	1.5
71.01376	7.7
73.02938	2.7
83.01378	1.1
85.02935	5.3
87.00871	1.9
89.02438	1.8
93.03454	2.2
98.20521	1.3
101.02439	4.2
113.02422	4.2
117.03426	1.2
123.00834	1.0
126.69378	0.8
129.03432	1.7
132.02094	0.9
141.03418	1.6
142.04167	1.7
145.02907	1.4
150.55392	1.0
156.92902	0.9
157.02931	0.9
158.03725	1.3
161.04553	2.8
161.89607	0.8
169.02925	2.7
170.03751	1.4
185.02396	2.3
186.03131	1.9
188.58702	1.0
193.01425	1.8
197.02469	4.2
198.03233	5.1
204.97844	1.6
213.01929	6.7
213.05583	0.9
214.02676	8.6
215.03433	1.0
226.02695	10.8
241.01404	7.6
241.05040	4.0
242.02216	2.4
253.01410	1.1
254.02191	2.7
269.00916	8.1
269.04498	25.1
270.01639	4.3
270.04642	1.4
284.06818	12.9
285.04062	2.9
297.00354	1.8
297.03925	1.1
298.01172	24.6
299.01535	1.1
299.09225	33.6
299.12628	1.8
300.09363	1.9
311.05588	1.6
313.03506	56.6
314.03854	2.6
328.05878	20.3
343.08191	100.0
343.28262	1.2
344.08575	5.2
384.32202	1.0
391.01822	1.2
474.08182	1.2
487.32715	13.4
502.07443	19.3
503.07916	1.5
505.34088	5.5
517.09869	13.2
532.12231	22.9
533.12225	1.4
543.01868	1.3
547.14349	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	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29858	0.3
51.37413	0.3
57.03424	0.3
59.01371	3.1
61.98822	0.4
69.20296	2.9
71.01369	1.6
73.02955	1.7
73.87122	0.3
75.35126	0.2
79.99039	0.5
85.02937	0.8
88.98781	0.6
93.03428	0.8
99.00861	0.6
101.02408	0.7
114.75855	0.3
117.03442	0.4
121.02942	0.3
125.02430	0.4
129.03413	0.3
130.04204	0.4
132.02165	0.6
133.02934	0.5
135.20222	0.3
151.97493	0.3
155.03502	0.4
158.03682	1.2
161.02438	0.5
170.03777	0.3
173.04547	2.9
174.03142	0.4
181.05061	0.3
185.00877	0.5
185.02415	4.6
186.03198	2.1
191.05597	0.6
194.99527	0.3
195.04517	0.4
197.02448	0.3
198.03116	0.7
208.05193	0.3
209.06049	0.9
211.03886	0.4
213.01955	0.6
214.02716	3.1
225.01903	0.4
226.02808	0.5
229.01254	0.3
236.04800	0.8
237.05531	2.4
239.03398	0.5
241.01414	0.8
241.04971	0.4
242.02151	4.0
253.01350	0.5
255.03046	0.4
259.02393	0.4
265.05035	0.9
268.03665	0.8
269.00870	0.6
270.01675	15.5
271.01993	0.8
281.04535	0.4
283.02664	0.4
284.03287	1.1
285.03857	0.3
296.03104	0.4
297.00357	0.7
298.01163	86.3
299.01483	4.2
299.04987	0.5
309.04086	0.5
311.05362	0.7
312.02832	1.4
313.03519	100.0
313.98123	0.3
314.03882	5.0
314.07321	0.5
323.01871	0.8
323.59467	0.3
324.06070	0.4
326.07919	0.6
327.05011	2.5
328.05856	73.9
329.06195	3.4
341.06619	0.6
342.07483	1.7
343.08188	67.8
344.08545	3.9
353.06619	1.3
355.04483	0.4
373.25974	0.8
385.09238	4.1
385.44742	0.3
386.09628	0.4
459.07336	0.4
504.92767	0.3
547.16583	0.3
547.30707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03450	1.7
58.00595	0.6
59.01380	100.0
60.01716	0.7
61.98834	1.5
65.61000	0.2
69.03448	1.2
69.31074	1.7
71.01382	16.5
71.05034	0.4
71.70289	0.2
72.99314	0.9
73.02943	5.6
75.00877	0.5
81.03455	0.2
83.01385	3.3
85.02948	9.2
85.06599	0.3
86.00115	0.3
87.00876	2.2
88.98799	0.3
89.02446	3.9
93.03480	0.3
93.07111	1.1
95.01394	1.8
96.96059	0.4
97.02943	1.2
97.06596	0.2
99.00876	2.4
99.92571	0.6
100.93412	0.2
101.02443	10.2
111.00896	1.0
112.01658	0.3
113.02449	10.7
115.03967	0.4
115.92067	1.4
116.92854	2.3
119.03484	1.1
121.10265	0.3
124.01693	0.3
125.02448	1.2
129.01973	0.5
130.99838	0.2
131.03522	0.7
143.03479	2.0
143.10799	0.7
149.04530	2.8
149.05782	0.3
149.13373	0.3
149.95403	0.2
157.12325	0.6
159.03009	1.3
159.04318	0.2
160.01656	0.3
161.04553	8.2
167.10823	0.5
173.04561	0.6
173.05977	0.2
174.04926	0.2
175.03864	0.4
179.05673	0.6
185.00793	0.4
185.15486	0.5
187.07649	0.3
191.05560	0.4
192.04285	0.2
201.05603	0.3
205.03490	0.3
211.17094	0.4
213.18654	0.8
214.06393	0.3
215.07002	0.3
221.19080	0.8
229.08719	0.5
237.22218	0.2
265.18204	0.6
269.04498	1.2
277.85837	0.2
283.19037	1.0
284.03461	0.3
284.06888	1.0
295.26465	0.2
299.05862	0.4
299.09204	1.8
301.20178	0.6
306.25424	0.2
313.27408	0.5
323.25992	0.2
325.27542	1.1
341.26898	0.3
343.28516	4.2
357.22797	1.1
357.26813	0.4
367.24835	0.9
367.28934	0.4
373.15533	0.2
375.23877	3.9
376.24292	0.3
380.97552	0.2
385.25839	1.2
385.30145	0.3
410.20032	0.2
427.12830	0.3
439.30643	0.2
441.09836	0.4
451.30746	0.6
457.31671	0.4
469.31787	1.1
487.32767	40.4
488.33197	2.7
505.33829	16.2
506.34369	1.0
534.85156	0.2
547.18182	0.3
547.27148	2.7
547.34595	1.9
548.35144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.56021	0.2
57.03449	1.7
58.00589	0.5
59.01376	100.0
60.01707	0.7
61.98832	2.6
67.01885	0.2
68.99802	0.2
69.03464	0.7
71.01379	14.1
72.99300	0.8
73.02941	5.4
75.00877	0.7
81.03454	0.2
83.01386	5.6
83.05054	0.2
84.02206	0.2
85.02945	9.3
86.00085	0.4
87.00864	1.8
89.02442	2.0
93.03450	0.3
93.07093	2.8
95.01386	1.9
97.02947	1.0
97.06632	0.3
99.00875	2.6
99.92608	0.4
100.23035	0.2
101.02435	12.3
111.00882	1.1
111.04475	0.2
111.08167	0.7
112.01698	0.4
113.02447	7.3
115.04016	0.7
115.92101	0.8
116.92866	1.1
116.93657	0.2
119.03513	0.5
124.01616	0.3
125.02426	1.0
129.01979	0.4
130.66473	0.2
143.03481	1.6
143.10809	0.4
149.06088	0.3
159.03000	1.2
160.01706	0.5
161.04550	5.2
173.04593	0.3
175.04005	0.5
185.15927	0.2
199.07419	0.2
200.79779	0.2
205.03438	0.3
211.17050	0.5
213.18590	2.9
221.36572	0.2
229.52168	0.2
249.06235	0.2
255.19623	0.2
272.17969	0.2
280.81250	0.2
325.27466	0.6
327.21661	0.2
339.35782	0.2
343.28491	1.8
357.22809	4.1
357.26962	0.4
358.23526	0.2
365.10840	0.7
367.28525	0.6
375.23828	9.0
376.24124	0.6
385.29465	0.2
427.30548	0.3
451.30630	0.4
457.31644	0.5
469.26050	0.2
469.31573	1.3
487.32721	43.3
488.33121	3.1
505.33780	20.2
506.33957	1.9
547.24841	1.5
547.34760	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	547.1091
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03439	0.7
59.01377	14.8
61.98826	12.7
65.00318	5.3
69.03448	0.6
69.39307	0.4
69.39709	2.3
71.01377	4.1
72.99299	0.8
73.02932	1.7
75.00864	0.7
75.43372	0.3
83.01395	0.9
85.02937	2.3
87.00873	3.3
88.98804	0.9
89.00310	0.8
89.02446	1.2
89.03979	1.5
91.01884	0.9
93.03436	2.2
95.01363	0.4
95.05039	0.3
96.95993	1.4
97.02940	4.6
98.20598	0.6
99.00859	0.7
99.04485	0.4
101.02451	1.9
113.02464	1.6
116.92877	0.8
119.03475	0.6
121.02943	2.9
123.04543	0.5
124.01621	0.8
130.99858	0.5
131.03458	0.5
131.05087	0.4
133.02945	7.1
139.04013	0.9
139.07663	0.3
141.09206	0.4
145.02982	0.5
147.04474	0.7
149.06023	0.4
149.99559	1.7
151.00342	0.5
157.02898	0.5
157.08670	1.0
161.02425	0.6
161.04517	1.2
163.00343	0.9
163.03990	0.7
165.01915	36.0
166.02232	0.9
173.04590	1.6
173.05884	0.3
175.03909	0.6
176.01128	0.4
185.06073	0.5
191.05591	0.7
193.04959	0.5
193.08658	1.5
196.05243	0.7
198.03093	0.7
199.04004	0.5
201.01906	0.7
211.03958	1.2
212.04811	1.6
213.05562	0.9
214.02718	4.4
216.04156	0.4
222.03194	0.4
223.03891	0.8
227.03459	0.6
227.07141	0.6
228.04224	0.9
229.05037	8.0
231.06599	1.6
232.00099	1.2
235.61505	0.3
239.03439	1.3
240.04248	5.2
241.04570	0.4
242.02234	1.4
243.06538	0.7
248.21994	0.3
255.02922	3.3
255.06538	2.1
256.03726	1.9
256.06265	0.3
257.04501	1.6
266.02267	0.6
271.06107	6.7
272.06442	0.5
281.04568	0.5
283.02408	2.6
284.03217	4.7
298.04834	0.9
299.05573	100.0
300.05896	6.0
317.06537	1.3
323.05774	0.4
341.06714	0.7
355.24832	0.6
373.25583	1.8
385.12906	1.3
399.23868	0.5
427.22162	0.4
443.09921	0.5
487.32861	2.2
503.11935	18.1
504.12158	1.4
504.32883	0.3
505.33859	0.7
547.14307	0.6
547.31427	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	547.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10762	0.6
59.01377	1.8
61.98820	1.3
71.01379	2.3
72.00912	2.1
72.99298	1.0
73.02946	1.0
78.95903	2.9
83.05014	0.8
85.02956	3.1
87.00871	1.1
88.98795	0.8
89.02443	1.3
91.05556	1.2
93.03452	29.5
96.96009	8.2
96.96959	5.1
99.00872	0.7
101.02432	1.8
111.04496	2.1
113.02451	1.1
117.03489	1.2
119.05015	2.4
123.04513	1.0
125.02481	1.8
129.01982	0.8
129.03508	1.9
133.02977	0.9
133.06555	0.7
135.64728	0.6
137.02440	100.0
138.02760	2.5
145.02954	22.9
146.03737	13.2
147.04517	20.4
148.04910	0.9
149.06044	0.8
155.03488	1.8
161.02454	1.5
161.04553	1.7
163.03941	0.8
164.05876	1.2
164.07158	14.3
165.05565	2.5
173.04526	8.5
177.05550	1.0
181.05063	1.0
190.02736	0.9
191.02003	0.9
191.03506	4.0
191.05623	6.9
226.18796	0.7
235.02452	17.7
236.02734	0.8
251.11356	0.9
311.07687	26.2
312.07941	1.7
383.15561	8.3
547.17627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98816	4.3
69.48410	7.1
72.10713	1.1
73.24262	1.0
81.98582	0.9
91.03963	1.3
151.07570	2.0
181.08231	1.0
313.25339	2.4
335.32852	1.1
339.26901	6.9
395.29465	3.4
397.33270	1.8
431.32925	1.9
447.32593	14.4
448.33087	1.1
449.34125	1.9
465.33704	20.3
466.33829	2.4
467.35269	12.9
468.35727	2.0
485.36346	52.1
486.36694	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	547.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05790	0.9
57.03434	2.9
58.00600	1.0
59.01376	25.0
59.63356	0.8
61.98820	1.8
65.00324	2.4
67.01889	1.0
69.03450	1.8
71.01006	1.1
71.01381	12.3
72.99306	2.0
73.02942	5.1
75.00877	2.6
81.03463	1.0
83.01363	2.1
83.05019	1.7
85.02950	11.2
87.00874	5.7
88.98803	1.7
89.02435	9.5
93.03459	7.1
95.01389	1.2
95.06232	1.1
95.10581	0.9
96.39098	0.8
96.95985	3.7
99.00870	2.0
101.02449	9.2
107.04987	1.7
111.00867	1.6
111.04477	1.7
111.31834	0.8
113.02454	5.5
115.07713	0.9
119.03497	2.4
119.05027	2.1
120.05817	1.3
125.02441	1.3
129.01929	1.4
131.03470	1.0
132.02164	1.0
133.02963	1.1
134.03648	1.0
135.04491	2.0
135.06628	2.5
136.98798	7.9
137.02415	1.9
143.03520	0.9
144.72809	0.8
145.02925	1.4
147.02934	1.0
147.04495	2.2
149.04546	2.8
149.06117	1.9
151.03986	2.1
155.03433	1.4
159.04453	1.3
161.02463	1.6
161.04532	2.0
161.09682	4.5
161.13338	1.3
163.00317	1.5
163.11269	1.3
165.04001	2.1
167.03519	1.0
173.04573	10.0
175.03912	1.8
177.05537	1.5
183.04530	1.6
187.03966	1.1
187.11252	2.7
189.09129	1.8
190.02718	2.5
190.99887	2.2
191.01736	2.0
191.05615	3.1
193.05028	1.6
200.04829	1.8
205.05125	1.8
205.12234	1.5
207.10272	1.4
211.03981	1.7
211.07683	1.0
227.03499	6.8
228.04185	4.0
239.03445	1.2
240.04268	6.5
241.04961	2.5
249.11240	1.6
255.02986	50.2
256.03458	4.9
265.07132	2.0
267.12372	2.1
269.04498	2.7
281.04568	2.4
283.02481	84.6
284.03226	100.0
285.03851	9.3
297.04010	1.7
297.11826	3.7
299.05588	59.0
300.05927	2.8
300.92169	0.9
309.03979	1.4
311.05469	2.4
326.07916	1.3
327.08942	1.1
341.06531	4.4
341.10403	1.5
342.10709	1.6
343.11649	1.5
343.24835	1.9
355.11139	2.0
369.09766	5.2
373.25970	16.7
399.16574	1.3
503.11935	94.2
504.12262	7.7
547.14941	3.2
547.23773	33.1
547.31128	5.8
547.64746	2.7
548.23474	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89363	1.0
53.92522	0.9
55.01853	3.3
57.03431	3.3
59.01377	38.3
61.98809	5.1
65.00300	1.3
67.01875	1.4
68.17828	0.9
68.30958	0.8
69.03451	99.0
69.18190	8.9
71.01372	10.7
72.99258	3.2
73.02917	2.9
79.01888	5.6
81.03419	1.2
83.01347	3.9
83.04998	2.0
85.02943	9.8
87.00871	31.0
89.02409	4.0
93.03467	8.6
95.01332	3.9
96.95996	9.6
97.02368	1.4
97.02943	20.2
97.06519	1.4
99.00872	30.3
99.04496	1.1
101.02399	3.5
107.01324	3.3
109.02916	2.8
111.04466	3.2
113.02393	4.3
121.02966	4.7
122.03680	3.0
123.00842	1.7
125.02397	4.6
127.41270	0.8
129.01903	1.6
134.03654	2.9
135.00760	3.2
135.04524	16.6
136.01659	4.7
137.02434	5.8
141.01933	6.2
141.09167	2.9
146.03757	1.7
147.04446	4.3
148.05200	1.2
149.02422	3.1
149.04433	2.0
150.03194	13.6
151.00340	5.7
155.03442	2.5
158.03705	1.3
158.33057	1.0
159.04439	3.6
160.01625	1.0
161.02275	1.3
161.04504	2.7
162.99231	1.1
163.00354	13.4
164.01166	4.5
165.00789	0.9
165.01915	11.4
165.12726	3.7
166.02547	1.6
171.04370	1.2
172.05217	3.5
173.02242	1.0
173.03125	1.2
173.04442	22.1
173.05975	5.4
174.03107	4.2
174.04524	1.1
174.06834	4.9
175.03951	1.9
176.01042	1.1
177.01891	4.7
178.02702	11.5
178.99738	0.9
179.03397	3.1
180.04112	3.3
183.04376	1.1
183.13849	1.2
185.00900	100.0
186.01254	2.2
186.02892	1.5
186.06850	10.0
187.07584	9.0
189.99028	1.2
190.99757	4.3
191.03429	1.9
191.05524	6.9
192.00545	2.7
193.01370	8.5
193.04898	1.2
196.00211	1.1
199.04002	4.4
200.04678	3.8
201.01848	4.1
201.05545	6.7
201.09189	7.2
203.03487	1.5
205.01424	1.5
206.02222	9.7
207.02788	2.3
210.01674	10.6
211.03795	1.2
211.07610	1.1
211.13202	1.1
212.08452	1.2
213.05438	2.2
214.06334	16.9
215.03560	1.8
215.07072	15.7
216.07129	1.2
218.02119	1.3
219.02800	1.9
227.03357	1.7
229.05045	1.6
229.08667	21.6
230.09290	4.5
231.09981	1.5
236.02998	1.1
238.01089	2.9
241.04950	1.2
253.05013	1.0
255.06451	1.5
256.07339	2.0
257.04553	1.9
257.08115	1.0
272.06476	1.2
273.07718	1.4
274.08292	4.3
281.81833	1.0
282.05127	1.7
283.13297	2.3
284.06686	1.4
286.04962	1.2
287.05316	2.0
297.14688	2.5
299.05618	5.9
300.06320	7.5
301.14529	1.4
309.14862	1.9
311.12781	5.4
315.15952	1.8
327.04922	2.2
327.15671	2.5
328.05835	50.0
329.06146	2.9
340.05640	2.0
358.06802	9.9
359.07297	1.1
359.27963	6.4
371.14960	9.1
411.24219	1.0
417.26044	1.0
421.23383	1.3
425.12375	22.8
448.10004	31.2
449.10144	1.7
455.13480	5.3
457.25684	1.5
483.22879	1.4
485.31052	6.1
501.24557	2.7
503.32150	4.6
545.16260	31.8
545.29547	29.0
546.16699	2.8
546.29651	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.239
Annotation	(2'E,4'R,7'R,9R,10S)-2',3'-Didehydro-7'-deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
59.01381	3.6
61.98835	2.0
66.15782	0.6
69.40775	0.5
69.41107	4.1
69.41422	0.8
83.04999	0.5
87.00869	14.4
88.98813	1.5
93.03452	0.9
95.05045	0.6
96.96031	1.0
98.20645	1.0
98.30466	0.5
108.02161	1.1
119.05058	0.6
121.02942	4.6
122.03736	20.8
123.04523	92.8
124.04851	1.8
130.99864	1.5
131.04988	0.7
133.02936	0.7
137.02435	6.3
139.03996	2.3
145.02950	0.9
146.03757	0.7
147.04523	8.7
148.05302	7.5
149.02449	1.9
149.06079	23.0
150.03226	2.9
150.06450	0.6
151.04016	3.0
163.04039	0.8
163.11293	2.0
164.04788	3.4
165.05562	12.5
165.12878	0.9
174.03186	0.7
175.04010	1.5
191.14374	2.1
192.04285	6.5
193.05043	13.1
195.98366	0.5
211.06190	1.0
212.25090	0.5
216.05983	0.5
217.01509	0.5
217.15965	0.6
218.02217	3.3
219.02902	2.5
224.03209	0.8
232.12399	0.6
236.03282	1.5
245.19077	1.6
254.04236	0.9
289.18015	3.3
291.19763	1.4
429.26556	0.6
455.24371	1.1
457.26062	0.8
477.08725	0.6
483.23978	1.2
485.21735	5.9
509.21762	4.8
527.22620	1.9
545.23895	100.0
546.24194	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	545.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01375	2.1
60.99286	0.8
65.03935	0.4
67.01884	6.1
69.03441	1.4
70.72161	0.7
71.01374	3.5
73.02932	0.4
81.03448	1.1
83.05011	0.7
85.02940	2.3
87.00867	2.2
87.04461	0.3
91.53960	0.2
93.03451	32.2
94.03773	0.6
99.00867	0.5
101.02424	0.3
108.02190	0.3
108.57587	0.3
109.02940	1.1
111.00877	1.2
111.04507	5.1
113.02416	0.5
121.03017	0.3
125.02522	0.3
127.03988	0.8
137.02437	4.7
145.03003	0.3
147.04556	0.3
151.07675	0.6
155.03482	4.3
173.04529	100.0
174.03406	0.4
174.04834	1.9
191.05597	18.2
192.05963	0.3
206.05751	0.3
220.03735	0.3
223.07549	0.3
235.07661	0.4
238.71129	0.2
239.07159	0.8
249.05424	0.4
251.07153	1.3
262.06216	0.4
263.07108	0.7
264.07803	0.4
267.06577	3.1
279.06570	2.1
282.08777	1.6
294.05313	0.8
294.08820	0.7
295.06021	0.6
308.06915	0.4
309.07724	1.1
310.08289	0.4
311.05490	0.4
322.08405	0.5
323.05569	1.6
323.09109	0.5
326.07928	1.0
336.52805	0.3
338.07925	1.8
341.10275	4.1
353.10254	10.6
354.10709	0.8
371.11273	3.2
371.24597	0.3
372.11459	0.3
483.33429	0.3
501.34494	0.8
515.15424	0.4
527.15692	0.5
545.16467	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.5
59.01380	1.5
69.19563	5.2
71.01388	1.4
75.85641	0.5
81.03449	1.4
83.05037	1.9
85.02973	0.8
87.00885	1.0
93.03455	7.4
101.01766	0.5
109.02968	0.6
111.04509	6.3
112.59530	0.5
121.02932	2.6
127.04010	1.3
129.01947	1.4
137.02400	0.7
145.02988	2.1
147.04555	1.6
148.05336	0.9
149.06046	1.1
155.03506	6.6
159.04446	0.6
173.04555	16.4
173.06046	1.0
182.16434	0.5
191.03751	0.6
191.05611	3.9
191.07222	1.2
192.04289	0.7
193.04996	1.5
195.08231	1.0
205.41454	0.5
207.08105	1.9
207.15108	0.5
209.06081	1.3
211.07661	1.1
221.06038	1.3
222.06725	1.2
223.07501	2.4
224.04761	0.6
233.06149	0.6
234.06944	0.8
235.07747	3.0
237.05569	1.7
239.07104	5.7
249.05565	2.8
250.06355	2.2
251.07129	12.4
252.07796	1.2
261.05661	0.9
262.06299	2.9
263.07101	7.1
264.07822	3.8
265.05161	1.4
265.08649	2.5
266.05722	1.8
267.06601	25.7
268.07031	1.6
277.05087	0.9
277.08752	1.7
278.05750	1.7
278.09256	1.0
279.06613	21.6
280.06805	1.3
281.08044	1.1
282.08954	13.0
283.09094	0.6
293.08090	1.7
294.05316	7.2
294.08972	10.5
295.06082	9.2
295.09229	0.7
297.11197	5.0
298.11588	0.6
306.05637	1.4
307.06000	4.2
308.06842	2.1
309.07697	11.9
309.11115	0.9
310.08273	3.5
311.05511	2.4
321.07693	2.0
322.08401	9.2
323.05597	25.2
323.09103	3.8
324.05872	1.2
326.07907	11.2
327.08386	0.7
337.07175	2.3
338.07941	25.5
339.08069	1.3
341.10272	60.9
342.10571	2.9
353.10275	100.0
354.10538	6.3
355.07962	0.6
371.11304	10.7
459.50964	0.6
515.16034	1.0
545.16620	27.7
546.17224	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	545.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28670	0.3
57.03435	0.9
59.01372	3.6
60.99286	1.2
61.98837	0.6
67.01899	2.4
69.03448	0.8
69.22230	2.4
69.22635	0.4
71.01376	3.1
73.02940	1.0
81.03464	0.8
83.05013	0.9
85.02946	10.0
87.00874	5.3
87.04514	0.4
88.98795	2.2
89.02438	0.6
93.03455	17.2
96.96011	1.7
99.04497	0.5
101.02434	0.9
108.02166	0.6
109.02943	1.4
111.00870	0.7
111.04499	3.0
113.02425	0.8
119.05021	0.5
123.04489	0.6
123.51177	0.3
125.02442	0.6
127.03983	2.5
127.07622	0.4
127.96370	0.3
137.02455	1.5
139.78871	0.3
145.02959	0.8
146.03630	0.3
148.99303	0.3
149.06107	0.5
151.07637	1.0
151.51517	0.3
155.03490	1.2
161.02393	0.4
163.03998	0.6
171.03027	0.4
173.02356	0.7
173.04539	14.5
174.03223	1.7
174.04800	0.6
177.05576	0.3
179.12445	0.3
191.05600	100.0
192.05956	2.3
193.04924	0.4
200.04700	0.4
202.02654	0.6
206.02031	0.5
215.03436	0.4
229.05042	0.9
249.05783	0.4
251.07196	0.5
263.07175	0.4
267.06589	1.5
277.04852	0.7
279.06659	0.8
282.09003	0.7
293.04541	0.5
294.09012	0.4
304.07587	0.4
308.03323	0.5
308.06888	0.8
309.07617	0.7
320.07120	0.5
322.08533	0.4
323.05618	0.7
323.09186	2.1
326.07678	0.6
327.15771	0.7
335.09320	0.7
338.07962	1.0
341.10193	1.6
341.23563	0.5
353.10284	13.4
354.10605	0.7
367.07980	0.3
371.11447	1.0
371.24353	3.7
372.25076	0.3
425.67593	0.4
483.33084	0.5
501.23618	0.4
501.34268	1.6
509.24167	0.5
515.15350	2.3
527.16003	1.5
545.16681	23.0
545.29034	2.9
546.17212	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
58.76315	0.6
59.01380	7.2
61.98829	8.4
65.00341	1.9
67.01900	1.1
69.03461	1.1
71.01365	3.3
71.54527	0.7
72.99341	0.7
73.02946	1.2
75.00895	0.5
78.95899	1.0
79.95750	0.7
80.91684	1.1
81.03436	0.9
83.01386	0.8
83.05003	0.7
85.02950	3.4
87.00875	4.6
89.02480	0.9
93.03458	6.5
96.96011	6.8
96.96957	1.4
97.02955	0.7
97.06628	0.7
99.00877	0.6
101.02440	1.5
106.00614	0.7
107.01404	1.1
107.05006	1.0
109.02943	0.7
111.00863	0.9
111.04536	1.0
113.02448	2.1
119.05063	1.4
121.02949	1.3
122.00092	0.8
123.00923	0.7
123.04527	1.6
123.08183	0.7
125.02419	1.8
127.04050	0.6
130.99844	0.7
134.03709	0.8
135.04547	0.6
136.98842	0.9
137.02444	2.3
145.02948	1.7
146.03754	3.0
147.04556	1.2
148.05307	0.5
149.06104	1.0
151.00386	0.9
155.03516	1.6
157.06584	1.9
161.02454	0.7
161.04639	0.6
161.99597	4.9
163.00430	3.0
163.03986	1.8
164.04581	0.6
165.01945	1.3
167.03574	1.0
169.06609	2.0
171.10277	0.9
173.04556	12.4
173.06013	1.2
174.04869	0.6
174.06500	0.5
181.06561	0.6
182.03682	0.6
185.06111	1.2
187.11136	0.6
189.99034	1.5
190.99854	4.9
191.01564	0.8
191.05600	7.4
193.01408	3.8
193.05083	1.7
195.44949	0.6
197.06059	3.8
203.10732	3.5
209.06131	0.9
210.03238	1.2
211.04076	1.0
212.04735	0.6
213.05505	3.8
223.13464	0.7
224.04778	1.1
225.05522	4.8
225.09109	0.7
226.02785	2.6
227.07069	0.7
227.12886	0.8
231.10283	2.7
240.04189	0.9
241.05043	15.8
242.05458	0.7
251.03419	1.0
252.04315	1.6
253.05054	7.4
254.02139	4.9
254.05751	1.4
255.02904	1.2
264.04199	0.9
265.04810	0.6
268.03760	1.3
269.04498	11.7
281.04510	0.9
282.01712	10.2
283.02451	2.4
283.13379	0.9
284.03320	1.6
285.03717	0.7
294.05316	3.5
295.10248	0.7
296.03308	5.4
297.04022	74.3
298.04742	21.8
299.05389	2.5
308.03195	8.5
308.06503	0.9
309.04022	4.4
311.05576	3.4
311.08826	0.6
311.12943	0.7
312.06378	91.3
313.06937	6.5
321.07657	1.3
322.87491	0.5
323.05713	3.1
327.15854	1.2
334.04724	1.1
337.09280	2.5
339.05042	0.8
339.08936	1.0
348.06454	0.8
349.06958	3.1
350.07959	1.6
353.14169	0.9
363.08383	0.7
365.10370	1.7
367.08145	6.8
368.09015	3.9
371.15030	1.7
371.24454	3.8
383.11322	32.0
384.11713	2.1
425.12463	8.4
455.13257	1.8
462.81906	0.6
475.12418	52.6
476.12778	2.4
527.15839	2.6
530.14453	6.3
545.16553	100.0
545.29913	6.3
545.64752	1.0
546.16919	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
59.01375	47.1
59.60994	0.8
61.98822	4.4
63.01508	0.8
69.03452	98.3
69.49774	2.2
69.50195	3.2
71.01373	7.0
72.99298	2.5
73.02955	1.9
78.95884	0.8
79.01877	4.0
81.21272	0.7
85.02948	4.1
87.00873	5.5
89.02440	2.4
93.03436	1.0
95.01381	3.6
96.95979	2.4
97.02947	17.5
99.00870	27.7
101.02429	2.6
113.02424	3.0
113.06083	6.7
119.03455	1.2
121.02897	0.9
122.03789	1.1
123.00918	1.5
125.09637	1.2
130.99884	1.1
139.00362	0.8
141.01917	6.6
141.09212	2.3
147.04451	2.2
149.06038	0.9
154.68785	0.8
159.04469	1.9
161.04561	1.0
163.03992	1.0
172.05273	1.9
172.68584	0.9
173.04486	2.5
173.05937	1.7
174.06842	2.1
179.05724	0.8
181.12326	0.9
185.00894	100.0
185.06053	2.5
186.01234	1.8
186.06808	1.9
187.07542	2.0
191.03424	1.4
196.05266	1.1
197.06149	0.9
197.11847	2.8
199.07666	1.8
200.04785	1.0
200.08371	1.5
201.09189	2.1
201.11070	0.9
207.10156	1.7
209.11778	2.1
211.07574	2.3
211.13387	1.4
215.07080	3.0
225.11227	1.1
227.07109	0.9
227.16492	1.1
229.08490	1.2
243.12369	1.0
271.13535	0.8
283.13300	1.5
284.03058	1.3
285.03793	1.3
295.13257	1.0
297.14920	3.3
301.14297	1.3
311.12762	1.5
311.16226	1.0
315.15897	4.4
325.14319	1.0
327.25470	1.3
329.13809	2.7
336.34277	0.8
339.15790	4.2
340.16653	1.4
343.15375	1.2
357.17200	3.2
357.26266	5.9
358.17728	1.6
381.09222	1.0
387.20053	2.1
401.21616	0.8
428.14441	1.0
437.23309	1.6
451.85782	1.0
455.24423	2.9
483.29437	1.5
499.24112	1.6
525.27173	3.2
543.21704	7.0
543.28381	18.0
544.28699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36216	1.7
59.01374	7.3
61.98844	8.3
62.64666	1.7
67.53619	1.8
69.43590	10.0
70.91743	1.7
71.01358	4.2
71.28139	1.5
78.95895	4.6
83.01363	2.5
85.02956	4.4
87.00875	2.6
88.98774	2.5
93.03456	9.0
96.95997	11.9
96.96951	2.5
99.00886	5.9
110.98524	2.7
112.36032	1.7
113.02412	2.7
115.08756	2.0
117.03509	2.3
119.05031	4.0
121.18945	1.6
131.04968	4.6
132.05792	4.7
133.06581	8.9
135.04462	1.9
137.02333	2.2
145.02956	2.6
145.06592	4.8
147.04510	21.4
147.06578	2.0
149.06064	5.0
157.06520	2.6
160.05162	2.4
161.06049	3.1
163.04024	2.8
163.07608	2.8
169.06612	3.7
173.04713	2.9
173.06007	9.6
175.03967	3.4
175.07649	2.8
177.05519	4.3
187.07684	15.0
189.05540	16.7
191.05530	2.9
191.07104	4.6
193.04996	2.3
194.24210	1.8
199.03987	2.0
201.05557	15.5
203.03349	2.1
205.05023	4.7
219.06615	14.9
221.04541	9.4
261.07596	2.6
263.05606	18.3
279.08707	4.5
323.07687	100.0
344.51389	1.7
485.12857	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	545.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81692	0.6
59.01395	2.1
60.27409	0.5
60.68410	0.6
61.98834	0.6
69.03453	0.6
69.32003	4.6
71.01402	2.3
77.71034	0.6
85.02936	0.9
85.73661	0.5
87.00914	0.7
93.03432	3.1
99.33012	0.6
101.02475	0.7
106.04263	0.6
108.02201	2.0
109.02963	2.0
111.04538	1.1
113.02480	0.8
117.03466	16.9
118.03823	0.6
119.05032	11.7
121.02956	1.0
121.06586	2.4
122.03683	1.0
123.04498	1.9
128.56960	0.6
130.04253	0.6
131.05008	2.0
134.03711	1.0
143.77254	0.6
145.02948	85.7
146.03233	2.8
147.04510	13.2
148.05309	5.4
149.06071	100.0
150.06433	3.3
155.03532	1.4
159.04588	1.0
161.06044	0.7
163.04010	11.1
167.03438	0.9
173.04504	3.2
175.03986	6.9
187.03949	1.1
187.07603	0.7
191.05571	1.9
191.07130	0.7
193.05045	74.1
194.05386	2.5
205.04973	0.6
219.02965	48.7
220.03302	2.3
239.06883	0.9
251.07085	2.3
263.07065	1.2
267.06595	3.8
279.06454	2.6
282.08795	1.9
294.05228	1.1
294.08688	0.7
295.05856	0.9
307.08228	32.3
308.08359	1.0
309.07620	1.7
322.08255	1.4
323.05664	2.9
323.08972	1.0
326.07883	1.0
338.08099	3.4
341.10336	9.2
351.10440	0.8
353.10266	16.0
355.10361	3.9
371.11328	0.9
371.24115	0.7
381.08051	1.8
399.09399	3.3
425.12399	1.2
457.15085	0.8
501.13885	5.2
527.11896	11.9
528.12335	1.2
545.12744	43.3
546.13129	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	543.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66076	0.7
59.01377	100.0
61.98827	1.7
80.84773	0.7
82.99178	0.7
87.14510	0.7
91.82748	0.6
97.54833	0.7
101.44952	0.6
110.54088	0.7
144.32545	0.7
435.43900	0.7
543.20166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98830	100.0
62.98549	0.2
69.67415	0.7
71.01401	0.7
73.02947	0.2
80.91678	0.3
85.02973	0.4
87.00870	0.6
89.02462	0.2
93.03466	0.3
96.96028	0.2
96.96941	0.2
99.00844	0.1
101.02451	0.2
111.04536	0.1
113.02449	0.2
117.61426	0.1
118.27263	0.1
119.26680	0.1
122.03667	0.1
122.06169	0.1
123.00806	0.2
129.02016	0.1
137.02463	0.2
138.05571	0.2
145.02962	0.2
161.02460	0.3
163.04041	0.2
173.04590	0.3
189.02005	0.2
191.03465	0.3
191.05589	0.3
221.04619	0.2
234.07744	0.2
253.08382	0.1
267.07367	0.2
326.07037	0.2
465.12006	0.1
484.23767	0.2
545.19293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25227	0.5
57.65952	0.4
59.01372	3.0
61.98819	1.1
71.01389	1.1
87.00872	100.0
88.01210	0.6
98.20687	0.9
99.36077	0.5
99.48425	0.5
115.54366	0.4
121.02952	1.2
122.02898	0.4
122.03756	1.7
123.04552	0.8
130.99857	69.8
135.04489	0.7
137.02426	0.8
147.04514	1.7
148.05296	0.7
149.06104	0.6
162.03233	0.7
163.04007	0.7
172.05264	0.5
183.13815	1.0
201.05450	0.6
211.13338	2.5
227.12943	0.6
229.48198	0.5
238.36588	0.5
254.04308	62.1
255.04758	2.4
287.16583	1.3
295.28506	0.5
297.14926	1.8
315.16022	2.9
323.16586	0.7
333.17099	0.8
357.17178	0.6
375.18314	0.5
386.96344	0.5
461.18011	0.7
479.19363	0.7
521.20392	2.4
539.21271	37.5
540.21686	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Erizomycin
Peak:m/z	Relative Intensity
59.01364	2.7
59.80636	0.5
70.28809	1.6
70.29152	0.5
71.01347	0.8
72.07962	0.6
80.71533	0.5
87.00870	100.0
99.04559	0.6
101.02397	0.6
119.05011	0.5
121.02934	2.0
122.03753	2.1
123.04521	0.8
130.99857	73.4
134.88785	0.5
137.02475	1.2
146.03697	0.7
147.04491	3.6
148.05313	0.5
162.06853	0.6
163.03972	0.7
192.04349	0.8
197.06049	0.6
211.13393	3.1
254.04300	71.6
255.04695	3.8
287.16449	2.1
297.14972	1.1
315.15982	2.6
333.16992	0.7
343.15192	0.8
356.12436	0.7
461.17950	0.6
482.07544	0.6
503.19083	0.7
520.77563	0.6
521.20160	2.7
539.21295	44.1
540.21704	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	540.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63189	0.4
51.60096	0.4
54.20710	0.4
59.01351	1.6
61.98825	22.0
62.01638	0.4
71.01367	0.9
80.35887	0.4
87.00858	1.5
92.01009	0.4
93.90618	0.4
114.26212	0.4
141.05450	0.4
147.04555	0.6
151.00351	1.3
159.04488	0.5
175.97502	0.4
199.04005	0.7
215.03502	0.7
227.03413	1.3
235.45459	0.5
243.02933	5.3
244.03333	0.5
245.79266	0.4
254.02185	1.7
255.02968	14.9
256.03348	0.9
271.02448	31.8
272.03058	3.2
299.01932	9.9
300.02707	100.0
301.03104	5.9
307.37558	0.4
314.04388	0.6
315.05066	76.4
316.05374	3.8
403.52466	0.5
408.15155	0.4
453.90518	0.5
462.08066	1.3
477.10324	93.6
478.10739	6.0
479.11707	0.4
540.21649	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	540.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99217	0.2
55.01878	0.3
59.01377	1.9
61.98826	100.0
69.43005	1.1
71.01378	0.8
72.25864	0.1
72.99334	0.2
73.02953	0.2
75.00867	3.6
79.95280	0.1
81.29882	0.2
85.02961	0.7
87.00880	0.5
89.02459	0.3
93.03475	0.3
96.96044	0.2
99.00909	0.2
101.02458	0.5
111.00889	0.2
113.02456	0.3
129.01906	1.0
130.34076	0.2
137.02432	0.2
145.02907	0.2
147.02995	0.3
149.06142	0.4
152.01247	0.2
153.01541	0.2
163.04004	0.2
165.04028	8.9
191.05702	0.2
193.05040	0.3
209.03177	0.2
300.02798	0.2
315.04932	0.2
367.10803	0.2
377.29266	0.3
391.14346	0.2
443.69519	0.2
477.10919	0.2
531.82483	0.2
539.34467	1.3
540.13489	0.6
540.34821	0.8
541.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96307	0.8
53.62743	0.8
55.01860	1.9
57.03431	1.4
58.00586	1.1
59.01377	49.3
61.98812	3.5
69.03458	1.1
71.01373	28.3
71.05034	1.0
71.54234	0.9
72.99308	2.5
73.02944	6.8
75.00842	0.8
76.59286	0.8
78.95897	1.1
83.01370	3.5
85.02951	10.4
87.00861	4.6
89.02440	18.7
93.03464	1.5
95.01365	1.0
96.95999	1.1
97.02963	2.1
99.00876	3.7
99.04497	1.6
101.02436	29.7
109.02926	4.3
113.02443	11.2
119.03481	7.8
125.02430	2.9
130.99765	1.0
131.03499	1.3
138.06853	0.9
143.03500	4.2
147.04527	2.5
161.04514	2.5
179.05591	5.8
185.04457	3.1
185.06023	1.4
186.58385	1.0
192.04347	1.2
197.11880	1.2
201.05496	1.2
211.13399	1.0
252.04185	1.4
268.03668	1.5
296.03220	1.2
305.17545	2.1
311.05655	4.1
319.21155	6.7
351.55347	0.9
405.09680	2.1
410.94000	0.8
421.09229	5.5
481.26520	100.0
482.26855	6.7
523.10284	1.1
541.20319	1.0
541.29199	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	538.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
63.99258	0.9
70.83147	1.5
173.83817	0.7
197.52960	0.7
217.52179	0.7
470.77289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00023	0.6
59.01371	2.9
61.98827	1.5
69.34837	1.4
69.35246	4.3
71.01380	1.0
85.02923	0.8
87.00872	100.0
88.01208	1.1
91.05520	1.4
93.03452	1.2
101.78446	0.7
103.05531	0.7
105.03482	0.8
113.02464	0.7
115.68977	0.6
117.03496	0.8
119.05037	1.2
121.02975	4.0
122.03755	4.9
123.04518	1.1
130.99858	67.1
135.04544	1.0
137.02446	1.9
147.04512	8.3
148.05273	1.5
149.02406	1.2
163.03958	2.6
164.04715	1.0
165.05539	1.0
167.03473	1.6
173.35497	0.6
183.13954	1.7
183.65781	0.7
191.03516	1.6
192.04245	1.0
205.03596	0.7
211.13371	19.2
218.02264	0.7
254.04292	68.1
255.04689	2.8
269.04492	2.0
287.16470	1.4
297.14896	1.6
313.18082	0.8
315.16089	3.1
333.17322	1.3
477.21457	0.7
479.18964	1.0
521.20233	2.7
539.21301	58.7
540.21497	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28252	0.4
58.88313	0.3
59.01377	37.3
61.98827	100.0
64.15073	0.4
69.20991	3.0
71.01382	2.8
73.02943	1.0
82.54488	0.3
85.02955	1.6
87.00887	2.4
89.02450	1.6
93.03479	0.5
101.02456	2.0
113.02460	1.6
119.03468	0.4
129.01907	0.7
130.99918	0.5
132.17572	0.4
147.04546	0.6
147.62737	0.5
159.03148	0.4
161.02435	0.4
161.04576	0.7
173.04553	0.7
187.03981	0.4
190.06290	0.6
193.05087	0.4
200.04799	0.4
209.03091	0.7
255.03267	0.4
271.13443	0.7
297.14929	0.8
315.16187	0.8
325.14630	1.0
333.17084	0.8
343.15610	0.4
369.13168	0.4
371.20728	0.9
389.21826	2.3
431.22839	9.7
432.22928	0.7
461.18591	0.4
521.20801	0.5
538.19965	0.8
538.32910	0.7
539.21228	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	538.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15779	0.2
59.01379	19.4
61.98829	100.0
63.91303	0.2
69.40125	1.9
71.01393	2.2
73.02960	0.8
75.00912	0.3
83.01383	0.7
85.02957	1.4
87.00888	0.7
89.02458	0.5
91.01627	0.2
93.03451	0.6
95.01386	0.3
99.00898	0.3
101.02471	1.4
111.00916	0.3
113.02470	1.1
117.03403	0.3
119.03545	0.5
119.05055	0.3
145.02943	0.4
146.03500	0.3
147.04611	0.4
157.08849	0.3
159.04506	0.3
161.04602	0.6
162.00537	0.2
163.04066	0.4
173.04605	0.8
189.05452	0.4
191.05666	0.4
214.19495	0.3
216.24547	0.3
227.16568	0.6
255.02939	0.4
272.13742	0.2
284.03241	0.6
292.16391	0.3
299.05740	0.3
357.16953	0.3
358.17609	0.8
371.20761	0.7
376.18719	0.4
386.87411	0.2
389.21677	1.6
431.22821	4.5
431.27930	0.4
450.22330	1.0
475.09518	0.3
476.30466	0.3
478.30844	0.3
495.31122	0.3
537.33093	0.7
538.33527	1.6
539.33704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03434	1.3
59.01373	10.9
61.98832	7.7
64.77078	0.6
68.60986	0.4
69.34373	3.7
71.01380	4.3
72.99300	1.1
73.02944	1.5
75.00841	1.0
81.03487	0.5
83.01362	0.6
85.02947	7.6
87.00903	1.3
89.02444	2.3
93.03454	16.8
95.01382	0.8
101.02448	1.7
108.02169	47.3
109.02958	12.9
113.02480	1.1
113.06073	0.6
119.03470	0.5
119.04979	0.5
121.02926	0.8
123.00879	0.5
123.04497	0.5
125.02451	0.6
125.09702	0.8
129.01950	0.8
131.07130	1.8
133.01410	0.6
133.02922	1.3
133.37808	0.5
134.03728	1.2
135.04491	1.1
137.02438	25.4
147.03041	0.9
149.02397	0.7
149.04547	0.5
149.06110	0.8
150.03159	0.7
151.03976	1.4
152.01143	100.0
153.01775	3.3
161.02448	3.1
163.03944	2.4
165.05530	0.8
173.04485	1.3
173.08037	0.5
178.02725	0.9
179.03477	1.4
181.05067	0.5
183.10304	0.7
191.01968	2.2
191.05612	0.6
193.05037	1.8
195.06586	0.6
209.02992	6.8
229.18619	0.5
241.07143	1.4
267.04959	0.9
283.87643	0.5
301.10840	0.6
389.12888	0.7
389.25604	0.6
399.09280	15.8
400.09818	1.0
403.06934	0.6
417.10336	18.1
418.10791	0.7
430.21164	0.6
477.23553	1.1
519.15051	1.5
537.12469	89.4
538.12823	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	537.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03448	8.6
58.00592	1.2
59.01374	38.9
60.01693	1.2
61.98827	28.9
62.27918	0.6
68.99826	1.4
69.03457	0.6
71.01009	1.3
71.01379	20.0
71.54117	0.9
72.88548	0.5
72.99313	2.6
73.02952	4.9
74.76194	0.6
75.00874	4.6
83.01388	3.3
84.02149	2.0
85.02946	82.4
86.03271	0.7
87.00869	3.7
87.15292	0.6
88.98822	0.6
89.02441	16.2
93.03461	2.4
95.01376	0.8
99.00854	0.7
100.24908	0.6
101.02438	9.1
103.00387	2.1
108.02178	1.7
109.02939	2.8
111.00885	1.5
113.02438	3.2
115.00378	1.2
119.03513	0.9
119.05032	1.0
120.01238	0.7
121.10270	0.8
125.02438	2.4
129.01953	8.6
131.03499	2.8
133.01450	5.8
134.03734	1.4
135.02971	0.8
137.02432	1.4
139.04074	0.8
139.11238	1.3
145.02927	0.8
147.03000	6.7
149.02512	1.2
149.04553	7.0
149.06091	2.1
150.03189	1.8
152.01115	2.4
153.01971	1.0
160.85544	0.7
161.02446	1.5
161.04579	1.5
163.03992	1.0
165.04102	0.8
165.05560	2.1
173.04570	1.5
182.07324	1.4
183.08658	0.6
183.10243	15.3
184.36830	0.6
191.01970	29.3
191.05588	2.5
193.05034	3.7
195.06676	0.8
197.09694	10.6
209.03012	100.0
210.03371	1.5
211.11340	0.9
213.12819	1.8
241.08864	1.0
257.11923	1.0
259.06143	1.2
283.10022	0.7
293.08844	4.9
301.10822	7.5
345.09842	2.4
389.12546	1.5
389.25488	2.6
463.12964	0.9
477.23569	0.8
519.13489	1.2
537.12250	9.9
537.33569	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	536.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22944	0.7
55.01884	0.7
57.03445	0.8
59.01376	55.2
60.01712	0.9
61.98827	100.0
63.52680	0.7
69.03432	0.6
71.01381	11.6
71.54001	1.2
72.99303	1.2
73.02937	3.9
75.00518	0.7
75.00859	3.5
83.01386	1.7
84.91212	0.7
85.02956	7.6
87.00882	4.4
89.02435	10.1
89.02940	0.8
89.70726	0.6
93.03467	2.4
99.00896	2.0
99.04531	1.6
101.02444	6.9
111.00959	0.8
113.02441	4.4
113.15508	0.7
119.03523	2.5
119.05011	1.1
123.04540	1.0
125.02494	1.4
129.01947	0.9
131.03537	1.0
134.03763	2.2
137.02496	2.3
143.03491	0.9
145.02969	1.9
146.03311	1.2
147.04527	1.4
149.04590	3.7
149.06061	1.8
152.01024	1.0
160.01692	1.0
161.02509	1.1
161.04567	2.2
161.05859	0.8
163.04024	1.7
163.06229	0.7
165.05536	0.7
173.04544	2.7
175.02534	0.9
175.04033	0.9
179.05682	0.8
180.68533	0.7
183.10277	1.4
191.01906	1.7
191.05669	2.4
193.05051	3.9
200.19556	0.7
209.03029	3.8
243.06682	0.9
284.03308	1.1
293.08829	3.7
369.19244	2.5
387.20349	2.8
389.25549	2.6
429.21127	4.1
501.16339	0.9
536.27179	2.5
537.12946	2.9
537.21350	1.4
537.32605	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	535.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01378	4.8
61.98831	2.7
66.88984	0.2
69.03437	0.3
69.56050	0.6
69.56458	1.2
71.01373	1.6
72.20691	0.2
72.99318	0.4
73.02950	1.1
76.48238	0.3
80.90192	0.3
83.01347	0.4
85.02962	0.9
87.00877	1.3
93.03449	1.2
97.02918	0.4
97.06575	0.4
99.00883	0.4
101.02426	1.5
111.08166	0.7
113.02454	0.9
119.05019	100.0
120.05370	2.3
122.03741	0.4
123.04489	0.4
125.02404	0.3
130.99811	0.3
135.04382	0.3
139.31648	0.3
145.02928	0.6
147.04489	1.2
148.05153	0.3
149.06042	0.4
152.99977	0.3
161.02295	0.3
163.03996	58.7
164.04344	1.2
165.12849	5.6
171.68785	0.3
183.13882	7.0
183.15405	0.6
187.14900	0.3
189.12758	0.5
197.15315	0.4
203.14296	0.4
205.15903	0.4
207.13893	1.2
209.11792	1.0
221.15436	1.4
227.12856	8.4
228.13225	0.4
231.13823	0.3
233.11700	1.4
237.14922	0.6
249.14946	1.0
251.12834	3.2
263.12997	0.4
265.14343	1.6
269.13919	2.3
275.12866	2.5
281.13913	0.3
293.13895	13.9
294.14178	0.6
311.15057	0.9
313.24036	0.3
323.14874	0.3
323.95685	0.3
325.09271	4.1
371.17102	9.0
372.17261	0.5
441.36078	0.4
504.69290	0.3
526.21527	0.3
535.21790	18.3
535.71332	0.5
536.22015	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	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.7
60.01710	0.4
61.17711	0.4
61.98829	100.0
70.91135	0.4
70.91464	0.8
71.01385	3.9
71.17191	0.4
73.02949	1.8
75.53036	0.4
83.01388	0.7
85.02956	2.0
87.00890	0.6
88.98810	0.4
89.02468	2.5
101.02445	2.5
113.02465	1.1
119.03485	0.7
134.03729	0.6
135.02995	0.5
143.03555	0.5
149.06108	0.4
151.57234	0.4
161.04572	1.0
173.04543	0.7
185.48000	0.4
346.15689	0.5
365.51291	0.5
387.20419	1.7
429.21490	2.5
537.12170	0.5
537.32678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
61.98828	100.0
69.84806	2.0
98.19953	0.5
109.09457	0.5
112.52973	0.5
203.79405	0.5
234.88353	0.6
471.34735	20.1
472.34973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04880	0.2
50.10479	0.2
55.01887	0.2
57.03437	0.3
57.99544	0.2
59.01377	5.1
61.98830	2.5
64.50717	0.2
65.00315	0.2
65.03970	0.2
69.03455	0.2
71.01374	1.3
71.23093	0.2
73.02940	0.7
75.00865	0.4
77.62910	0.2
79.05537	0.3
79.43104	0.2
83.82899	0.2
85.02925	0.9
87.00865	1.5
89.02461	1.0
91.05531	1.4
93.03458	0.6
95.01381	0.2
95.05020	0.7
99.00880	0.2
99.04532	0.3
101.02444	1.6
101.03951	2.1
102.09777	0.2
103.04007	0.5
103.05537	1.2
105.03455	1.0
108.02160	0.3
109.02964	0.2
111.00912	0.2
111.04527	0.3
113.02447	0.5
117.03467	1.0
119.05022	11.6
120.05350	0.3
121.02960	0.3
123.04556	0.2
125.02441	0.6
129.03465	13.0
130.04250	3.5
131.03491	0.2
132.02199	1.0
134.03700	0.2
135.00941	0.2
135.04526	2.8
137.02443	0.7
145.02951	3.5
146.03738	4.0
147.04517	100.0
148.04851	2.5
149.02446	0.3
149.06067	0.2
155.03491	0.3
161.02429	0.2
163.00389	0.8
163.04013	1.0
163.06126	0.6
164.04799	0.4
165.05544	0.2
167.10774	2.5
171.04384	0.2
173.02405	0.5
173.04556	0.5
175.04015	0.3
183.04544	0.3
184.05336	0.3
190.99883	3.6
191.03491	19.3
192.04042	0.5
195.04790	0.2
199.03938	0.3
211.04080	0.5
212.04898	0.3
214.13924	0.2
227.03543	0.5
228.04332	0.3
235.02457	0.3
236.03014	0.2
239.03500	0.5
240.04269	1.4
247.08464	0.2
255.02936	0.6
256.03665	0.4
267.02997	0.7
269.04578	0.2
272.01120	0.2
283.02490	2.6
284.03244	15.7
285.03766	0.9
295.34192	0.2
296.03284	0.6
297.03842	0.2
299.05582	14.3
300.06006	0.8
307.10342	0.5
309.04138	0.5
311.05460	1.6
341.66342	0.2
359.28134	1.5
360.28366	3.1
361.28653	0.6
406.07013	0.7
417.06165	0.7
431.07916	1.1
432.08282	0.3
447.10846	1.9
447.16425	0.3
449.27869	0.2
475.33105	0.2
476.07309	0.4
491.09750	3.2
492.10342	0.3
493.30084	0.2
534.33679	1.4
535.08844	1.2
535.17053	0.3
535.25079	0.5
535.31958	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	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98321	1.1
57.03437	1.9
59.01378	67.7
61.98827	100.0
63.91114	1.0
69.03407	1.8
69.36785	6.7
69.69017	1.1
71.01006	1.8
71.01376	24.8
72.99287	1.8
73.02557	2.0
73.02944	32.5
75.00860	1.9
83.01385	11.8
83.05022	10.7
85.02943	18.6
86.03273	2.5
87.00863	4.4
89.02438	11.5
93.03432	5.0
99.04530	1.3
101.01794	2.4
101.02438	37.5
109.02921	2.9
111.04468	1.0
113.02435	11.5
119.03488	8.4
121.06577	1.6
125.02403	3.2
128.03520	2.2
129.01918	2.9
131.03453	2.9
143.03477	4.7
143.04620	3.3
144.06657	1.9
147.02931	2.2
147.04430	2.7
149.04559	12.2
149.05795	1.5
150.65929	1.1
155.03531	1.9
161.03276	1.5
161.04541	22.5
161.05867	1.7
173.04483	4.9
179.10786	1.2
191.01917	8.0
191.05595	2.5
192.02254	3.0
192.06285	1.0
203.05556	1.4
205.12346	3.1
206.15460	1.2
221.06644	13.5
253.08588	2.2
254.09131	2.5
298.08038	1.6
306.07526	7.4
328.63544	1.4
342.24335	1.2
365.49866	1.1
535.20251	5.0
535.27277	3.0
538.51416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
57.03447	3.6
59.01373	17.4
61.42767	0.5
61.98808	2.2
62.43724	0.5
68.99800	1.1
69.03448	1.2
69.77189	2.3
69.77614	1.0
71.01007	0.9
71.01380	15.1
72.99314	5.3
73.02923	2.5
75.00470	0.8
75.00867	12.4
77.94126	0.5
78.91685	0.5
81.03425	0.6
83.01357	2.1
85.02947	20.4
87.00874	6.4
88.98807	1.3
89.02445	4.4
93.03436	1.1
95.01376	3.4
96.06009	0.5
96.95997	1.3
97.02912	1.0
99.00876	8.8
99.04527	1.0
101.01778	0.5
101.02413	2.2
103.00356	1.7
111.00898	0.8
113.02441	18.0
113.09726	0.6
115.00355	1.0
116.04788	0.5
117.01892	1.7
121.02918	0.7
129.01920	2.0
131.03453	0.7
135.02989	2.7
141.87151	0.5
149.04521	2.7
157.01378	1.2
165.12827	0.9
173.04520	1.3
175.02396	2.1
185.05949	0.6
221.19073	16.8
222.19357	0.7
239.20049	1.1
249.06061	1.5
254.05766	1.0
265.18060	10.0
266.18356	0.7
269.08109	2.4
283.19180	11.2
299.05664	0.9
301.20190	13.3
311.22305	0.9
326.62091	0.6
341.26785	1.4
359.28000	1.2
367.24927	1.1
371.24164	1.8
385.25919	9.2
489.26816	3.3
527.72156	0.7
533.25836	100.0
534.25964	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	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77130	0.8
55.01868	0.9
57.00954	0.6
57.03440	1.8
59.01376	65.3
61.98829	4.6
67.00313	0.7
69.03452	1.2
69.98166	0.7
71.01372	13.6
72.99301	2.1
73.02941	3.2
75.00871	4.1
83.01390	1.7
85.02940	8.7
87.00870	5.1
87.01296	0.6
87.04497	3.1
89.02454	11.1
89.03950	2.7
93.03430	4.1
95.01359	1.7
96.96008	1.2
97.06556	0.9
97.60901	0.9
99.00867	1.7
101.02439	10.3
105.03467	1.5
109.02921	1.3
111.04504	1.4
113.02437	9.1
116.92831	1.0
117.02090	0.7
117.03454	18.5
119.03536	5.6
119.05013	14.6
119.82230	0.7
121.02941	1.3
125.02484	0.9
128.03528	1.0
129.01918	1.5
130.99889	1.1
132.02107	0.8
133.02937	4.2
133.06581	1.8
134.03818	0.8
136.40678	0.8
137.02443	3.7
145.02943	84.1
146.03288	2.3
147.04507	1.8
149.02422	2.1
149.04575	0.9
149.06055	1.3
159.04489	0.8
160.01688	1.5
161.02438	17.8
161.04597	1.5
161.06061	6.1
163.03990	14.3
163.11267	20.9
163.12564	1.4
165.04051	10.6
165.05431	1.6
165.12810	1.3
170.70250	0.7
171.08177	0.8
173.04572	5.9
173.05962	1.2
175.03954	0.9
177.01915	24.9
177.05446	2.2
178.02191	0.9
183.13870	2.3
189.01930	9.9
191.05577	2.0
192.60344	0.8
193.05034	1.0
197.99612	0.8
198.03094	0.9
205.05017	4.6
207.02994	0.8
207.10233	5.3
209.02969	0.9
211.03998	2.0
212.04828	1.1
227.03453	1.6
227.12833	1.3
233.00827	3.4
235.06226	0.9
239.03476	1.9
240.04187	4.5
255.02943	2.1
255.06659	2.1
256.03607	0.9
265.07086	2.3
266.02222	1.0
267.03098	1.1
268.03745	6.2
269.00888	1.8
269.17477	1.3
271.02390	1.3
283.02396	1.4
283.05908	1.2
284.03271	8.1
285.03854	1.2
296.03265	6.7
299.01944	1.8
299.05603	3.1
300.02542	0.9
310.01007	1.4
311.01917	1.8
311.05579	9.7
312.02756	20.8
312.05914	0.9
313.03522	3.4
313.91110	0.7
314.04309	3.3
315.05020	1.0
327.05069	2.5
328.02106	3.3
329.06577	3.9
338.00726	1.1
339.01376	0.9
339.05057	2.2
340.02206	4.7
341.07895	1.0
344.01605	2.0
353.02866	1.3
355.04510	8.4
387.16571	100.0
388.16794	6.9
401.18210	2.2
401.25281	1.7
443.28769	0.8
446.06311	2.2
456.04471	1.0
461.08652	1.3
471.06891	0.9
473.27155	0.8
489.08188	33.2
490.08716	3.4
518.10809	1.1
525.17657	0.8
533.07550	8.7
533.19714	46.8
533.29034	8.5
534.20203	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	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09093	0.4
51.49180	0.3
52.25667	0.3
56.52157	0.3
57.03440	0.7
59.01375	1.4
67.01868	0.4
69.06043	0.3
71.01364	1.8
71.33635	0.4
73.02939	0.4
84.29780	0.4
85.02944	9.6
87.00871	4.1
89.02451	0.6
93.03464	2.2
99.00864	1.1
100.90514	0.4
101.02444	0.7
109.55287	0.3
111.04514	0.9
117.01998	0.5
127.03991	2.4
129.01921	2.0
134.24358	0.3
147.03008	1.2
148.48105	0.3
166.95557	0.4
171.03004	0.7
173.04530	1.3
184.65596	0.3
191.02110	2.6
191.05600	100.0
192.05940	2.4
313.95438	0.4
324.56329	0.4
489.82416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01372	2.3
67.01875	0.6
68.99562	1.2
69.03442	0.3
70.41991	0.7
70.42352	0.6
70.81699	0.3
71.01377	2.2
72.99296	1.5
73.02931	1.1
76.92751	0.3
83.01392	0.7
83.05031	0.3
85.02944	10.1
87.00878	5.6
89.02440	1.2
93.03456	3.6
95.01361	0.4
97.02905	0.4
99.00881	1.8
99.04526	0.6
101.02422	0.7
102.98622	0.4
106.02302	0.3
108.85429	0.3
109.02949	1.0
109.19941	0.3
111.00888	0.5
111.04501	1.2
112.98556	1.2
113.02463	1.0
117.01921	1.5
127.04004	2.4
129.01947	3.3
131.03531	0.4
133.01436	0.8
142.99841	0.4
145.02985	0.4
147.02992	1.6
147.04579	0.4
149.04544	2.4
171.02956	0.7
173.04562	2.3
175.02530	0.4
191.02100	3.9
191.05605	100.0
192.05934	1.9
197.04555	0.9
207.05157	2.0
212.93527	0.3
258.91617	0.4
341.10971	0.5
533.15356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03226	1.0
50.92214	1.0
57.03457	1.4
58.15335	1.1
59.01377	59.7
61.98832	9.0
65.00360	1.4
69.03459	1.6
69.85906	5.4
71.01383	11.8
73.02939	4.1
75.00867	1.4
83.01391	2.2
85.02962	7.1
87.00871	7.1
88.98858	1.4
89.02445	6.0
93.03462	3.8
94.58077	1.1
95.01383	1.9
96.96011	4.6
99.00864	2.1
99.04559	1.4
101.02440	9.2
101.64542	1.2
109.02934	2.4
111.08147	1.3
113.02446	6.7
117.03491	1.6
119.03474	1.2
119.05013	1.9
121.02943	2.2
124.01608	1.8
135.03035	1.2
136.01653	2.5
136.98781	2.4
137.02446	4.7
139.04045	1.5
145.02959	6.3
147.04498	2.2
148.01590	1.1
149.02425	1.0
149.04527	1.1
149.06035	1.8
161.02409	2.1
161.04565	3.2
163.03960	2.5
165.12822	3.9
171.04564	1.5
173.04559	3.8
183.13866	6.7
191.05594	1.9
193.05084	1.5
197.05992	1.3
198.03146	1.5
211.03963	2.0
213.05479	1.7
225.05487	2.0
226.02774	1.2
226.06294	3.5
227.03442	6.7
227.12863	7.1
228.04027	1.2
241.05031	3.6
241.08762	2.6
242.05783	1.4
253.05043	1.5
255.02991	9.8
256.03482	2.0
268.03757	1.5
269.04532	7.9
269.22705	1.3
270.02252	3.3
270.05316	91.0
271.02759	1.7
271.05667	4.9
282.01706	1.4
284.03226	8.3
285.04190	4.3
285.07657	100.0
286.08029	3.7
298.01169	5.1
299.01865	4.4
299.05234	1.8
312.02185	1.4
313.03464	9.7
314.04227	8.7
315.05289	1.5
328.05750	1.7
329.06680	14.6
359.20453	1.5
371.07739	3.2
371.16809	1.5
382.28220	1.2
387.09436	2.4
429.11871	2.5
481.13907	2.4
489.07376	1.9
489.13892	23.3
490.14023	1.5
518.10657	4.0
533.13037	9.4
533.22351	12.3
533.30060	9.8
534.29932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01378	17.4
59.37415	0.4
60.01696	0.6
61.45328	0.5
61.98829	5.7
65.00312	0.6
69.03439	1.5
71.01079	0.4
71.01387	4.9
71.54787	0.5
73.02914	1.3
75.00851	1.0
75.95860	0.6
83.01379	0.9
85.02953	4.0
87.00873	3.8
89.02419	2.2
93.03449	1.6
95.01360	1.0
96.96001	0.9
97.06573	0.7
99.00896	0.9
101.02450	2.6
108.02155	0.7
113.02448	2.9
117.03428	3.4
119.05005	1.4
123.00847	0.6
123.04511	0.8
124.01684	0.8
125.02445	1.1
129.01898	0.5
130.99815	0.9
133.02942	1.3
134.03693	0.7
137.02400	1.7
143.05008	4.6
145.01915	0.6
145.02954	8.9
147.04517	0.5
149.06064	0.5
151.00342	0.5
152.01048	0.6
152.98274	0.8
155.03468	0.7
155.04921	0.8
157.08672	0.6
158.03596	0.7
159.04503	0.9
161.02394	1.0
161.04602	0.9
161.06050	0.7
163.03998	1.4
165.04057	0.8
171.04507	36.7
172.04858	0.7
173.04611	3.1
175.02522	0.6
175.03976	1.3
179.96968	0.5
183.13855	0.5
185.02382	1.6
186.03258	0.7
187.03984	1.6
189.05507	3.5
191.05602	1.4
193.04941	1.9
194.99315	0.7
196.06114	0.5
197.02264	0.6
198.03220	1.0
199.04022	5.5
204.97710	0.5
211.03989	0.9
214.02710	1.5
215.03519	4.4
216.04158	0.5
217.05022	2.4
226.02756	0.7
227.03482	24.4
227.12738	1.1
228.03992	1.1
235.06001	0.7
241.08789	0.8
242.02203	1.3
242.72089	0.5
243.03008	2.6
253.05128	0.6
254.02054	0.7
255.02969	14.4
256.03467	0.9
259.02408	0.6
267.07315	0.7
268.03781	0.8
269.04639	1.0
270.01682	3.0
270.05286	5.2
271.02518	2.7
283.02414	1.8
284.03214	3.0
285.04056	1.9
285.07626	4.3
289.03424	1.0
296.03214	1.4
298.01178	12.9
298.04465	0.7
299.01971	38.8
300.02661	9.8
301.02945	0.6
304.05853	1.3
313.03497	10.3
314.04309	78.5
315.05005	14.9
319.08224	1.2
324.06238	0.8
328.05841	2.5
329.06647	100.0
330.06992	4.2
371.11417	0.8
371.24393	1.1
383.11298	1.4
387.09424	1.1
387.16397	1.4
401.12817	0.6
401.25430	0.7
441.08301	1.6
459.09232	0.6
473.10480	1.4
481.14453	0.8
489.07437	1.3
489.14380	1.1
505.13495	1.9
518.10437	3.8
533.13110	8.3
533.23169	2.8
533.29755	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	533.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
58.93013	1.0
59.01379	26.3
60.99323	1.2
61.98827	14.1
65.00351	1.1
69.17914	9.8
71.01383	8.5
73.02941	6.7
75.00883	1.2
79.99097	1.3
85.02947	7.3
87.00871	3.9
88.98807	5.6
89.02457	5.1
93.03463	3.4
95.01391	1.4
99.00883	3.4
101.02456	6.3
105.01965	1.1
105.81641	1.1
111.00897	1.1
113.02467	3.2
117.03454	10.8
119.05025	3.7
121.02924	1.3
123.04530	2.2
133.02957	1.6
134.82628	1.2
137.02434	1.5
142.04190	2.0
143.03386	1.1
143.05038	5.8
145.02939	27.4
147.04521	1.8
149.04567	1.7
151.00377	1.8
158.03722	5.8
159.04526	1.1
161.02451	1.7
163.03967	3.8
170.03740	2.5
171.04491	35.9
172.04877	1.2
173.04556	3.3
174.56036	1.0
175.03960	1.2
178.99757	1.2
183.04367	1.7
183.13815	1.2
185.02419	12.3
186.03220	7.9
187.03978	2.6
189.05551	2.5
191.05644	1.7
197.02388	2.5
197.06116	1.6
198.03220	4.2
199.03992	6.7
211.03918	2.7
213.01892	3.6
213.05553	1.3
214.02692	17.0
215.03464	6.6
217.05060	2.6
225.01942	1.6
226.02693	3.2
227.03476	24.1
227.12791	1.6
228.03830	2.2
239.03470	2.1
240.04262	2.1
241.01450	2.3
241.04996	2.2
242.02205	8.7
243.02850	3.5
255.02939	8.9
259.02295	1.4
267.02988	1.1
268.03793	10.4
269.04388	2.4
270.01675	20.5
271.02399	3.7
282.01685	2.1
283.02490	15.6
283.05637	2.0
284.03299	5.6
285.04169	5.3
285.07483	5.7
297.04306	1.6
298.01169	100.0
298.04306	3.4
299.01935	38.4
299.05261	2.7
300.02625	2.2
313.03558	82.0
313.07117	8.0
314.04260	56.7
315.04901	1.5
327.05188	1.5
328.05859	52.6
329.06628	98.3
330.07108	5.5
353.10284	2.9
356.05283	3.1
369.09824	1.4
371.07635	20.0
458.08426	1.3
473.10373	2.3
503.08270	27.5
515.16187	1.2
518.10638	61.4
519.10925	4.7
533.12994	40.0
533.23376	17.3
534.13544	3.7
534.25269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59078	1.4
59.01387	3.0
59.81619	1.4
69.03497	1.1
69.84941	2.9
69.85350	4.1
71.01359	1.4
72.99303	1.7
80.74140	1.3
82.62379	1.2
84.70937	1.1
85.02945	2.8
86.42336	1.2
87.00874	2.1
89.03986	2.0
91.83361	1.3
114.89645	1.2
117.03472	1.2
119.05037	11.2
125.02445	3.2
129.03462	14.8
130.04170	2.3
133.02942	1.6
139.01585	1.4
145.02892	2.4
146.03712	2.9
147.04514	100.0
148.04791	1.6
149.06046	3.8
150.06485	1.6
151.72972	1.3
160.01602	2.6
161.02437	71.5
162.02936	4.2
166.05124	1.6
189.01917	48.5
189.03627	2.6
190.02264	2.1
191.03500	30.9
193.05045	2.7
194.05435	1.2
195.05612	1.5
202.15877	1.4
205.03586	4.0
207.02931	1.5
223.04552	2.4
227.76366	1.4
232.98659	2.4
233.00909	43.3
234.01181	1.4
267.05145	15.4
325.71356	1.4
327.08536	3.3
422.98013	1.4
533.14233	4.3
548.03699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41184	1.4
59.01380	32.0
70.72408	3.4
70.72746	2.1
71.01387	7.4
75.13677	1.6
80.17278	1.4
81.76669	1.3
85.02936	2.6
87.00925	2.0
89.02435	4.8
93.03465	1.6
101.02436	5.5
113.02422	3.6
117.03465	24.9
119.03503	2.2
119.05039	9.0
123.00917	1.6
137.02490	2.8
145.02948	85.6
146.03307	2.3
161.06026	2.0
163.04028	9.1
163.11266	3.0
204.64578	1.6
207.10146	4.7
227.03540	2.2
241.05014	2.4
255.02940	4.6
270.05319	83.4
271.02429	2.7
271.05515	3.9
279.40784	1.6
285.07666	100.0
286.08127	3.4
299.01971	2.8
329.06500	8.7
359.27991	2.4
385.26096	2.6
387.11523	2.6
387.16595	52.2
388.17209	1.8
489.14041	4.6
533.20715	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87798	0.6
56.06326	0.6
57.03458	0.8
59.01379	22.6
61.98835	3.6
71.01384	5.5
73.02944	1.5
75.00864	1.4
75.54514	0.6
81.03434	1.1
85.02943	4.0
87.00868	2.3
87.04512	1.5
89.02449	3.3
89.03970	7.9
93.03459	3.2
96.96040	0.6
97.06624	0.6
98.19905	2.7
101.02450	3.5
103.20645	0.6
105.03464	5.0
109.02943	1.5
113.02450	2.6
113.12323	0.7
117.03460	6.1
118.09282	0.6
119.03471	1.1
119.05022	3.6
121.02940	2.9
123.04539	1.4
124.01667	1.6
132.02174	0.9
133.02962	15.2
133.06607	0.7
137.02441	9.5
145.02948	19.1
147.04538	0.8
148.01689	1.8
148.05312	0.7
149.02438	7.1
149.06056	1.0
158.03656	0.8
160.01631	4.2
161.02437	70.1
162.02750	2.1
163.04045	3.8
163.11310	6.4
165.04062	0.7
173.04567	2.2
177.01926	100.0
178.02255	2.5
183.04468	1.5
189.01927	46.6
190.02266	1.9
191.05623	1.1
193.05086	1.0
195.04472	0.9
196.05260	1.6
198.03297	0.8
200.04771	1.3
202.02608	0.9
205.05077	1.7
207.02950	1.7
207.10239	0.8
211.04073	1.9
212.04797	2.1
216.62451	0.6
224.04781	1.1
227.03479	1.8
228.04112	0.9
233.00894	16.6
234.01407	0.7
239.03490	4.7
240.04228	8.8
241.05136	0.8
242.05856	5.5
251.03540	0.7
253.05029	1.8
255.02950	1.6
257.08163	10.2
267.03009	2.6
268.03720	11.2
269.01294	0.7
269.04422	1.7
270.05344	1.1
271.02655	1.1
279.03107	0.8
280.03726	2.0
281.04416	0.8
282.01688	0.8
283.02759	1.2
283.06131	4.3
284.03278	14.6
285.03842	2.5
285.07593	1.2
295.02368	0.8
295.99902	1.4
296.03256	28.4
297.03674	2.3
298.01318	1.0
299.02039	2.0
299.05618	8.5
311.05588	48.9
312.02744	4.3
312.06046	2.4
313.03540	3.2
314.04279	2.3
324.02676	3.5
327.05139	2.4
328.02231	14.3
329.06845	3.2
329.10370	1.1
339.05060	10.8
355.04553	39.1
356.05011	2.1
365.06705	1.8
387.16586	21.3
445.09415	0.8
446.06335	0.7
461.14651	1.2
474.05936	0.9
489.08188	20.0
489.14047	1.4
490.09073	0.9
515.06512	1.0
533.12775	4.2
533.20624	10.7
533.29138	4.3
534.20135	0.8
557.59216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01376	14.7
61.98828	19.1
67.01866	0.6
69.03448	1.2
71.01376	5.0
71.05054	0.7
71.54423	0.7
72.97534	2.4
72.99327	0.9
73.02954	2.0
76.19949	0.6
81.03460	0.7
83.01385	0.9
85.02938	3.5
85.06584	1.0
87.00873	3.8
88.98815	0.6
89.02459	3.0
89.03976	2.9
93.03447	3.1
95.01395	1.3
96.96004	5.7
99.00872	0.9
101.00638	0.6
101.02423	3.0
109.02930	0.9
109.26720	0.6
111.04529	1.0
113.02449	1.7
117.03459	18.7
118.98044	0.7
119.03513	0.7
119.04955	0.8
121.02964	2.2
125.02452	0.6
129.01933	0.6
130.99823	0.8
132.02150	1.9
133.02960	5.4
136.98799	1.1
137.02448	0.8
145.02946	100.0
146.03322	2.2
147.04504	1.5
149.04558	2.1
149.05986	1.0
155.03526	0.8
160.01640	2.8
161.02443	11.6
161.04570	1.1
163.04024	2.1
165.98982	1.2
167.04948	0.7
173.02403	1.5
173.04556	4.1
173.05956	0.9
173.10135	0.7
174.04916	0.7
189.01926	24.7
190.02626	1.7
190.99823	3.3
191.05563	1.1
192.00609	1.0
193.05038	1.1
199.04056	0.8
208.45198	0.7
211.04018	1.5
211.13445	0.8
227.03490	2.1
233.00928	4.2
236.04799	0.8
239.03561	1.0
240.04138	0.7
249.05595	1.1
255.02977	2.4
256.03891	0.7
264.04312	0.9
269.17587	1.2
283.02521	5.4
284.03275	6.6
285.04022	0.9
293.04584	0.9
299.05713	2.0
300.02936	1.2
301.08551	1.2
308.03229	10.6
309.03677	0.9
315.05206	2.3
323.05582	10.5
329.08380	1.0
341.23340	1.6
345.07626	1.6
355.05716	0.9
357.07709	1.7
357.26465	0.8
358.26779	2.5
359.24057	4.3
359.27057	0.9
359.28284	1.3
360.06442	0.7
373.07150	1.3
374.07715	1.2
384.06808	1.3
385.07141	1.7
401.06552	9.0
402.07449	4.8
413.06403	0.8
417.09964	0.7
428.05243	3.9
429.06125	7.0
430.06891	19.4
431.07147	1.2
443.07700	2.6
445.09232	53.8
446.09509	2.9
471.09125	1.0
489.08221	11.2
489.16190	1.0
532.32031	2.6
533.19189	3.6
533.32269	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01719	0.4
54.06882	0.4
55.01863	0.9
57.03440	2.7
59.01379	14.4
61.98816	2.4
67.01875	1.0
68.99809	0.7
69.03445	1.5
69.62659	2.7
71.01379	12.6
71.05011	0.7
72.99306	4.2
73.02939	2.0
75.00470	0.7
75.00870	10.6
81.03457	1.1
83.01373	1.3
83.05006	1.4
85.02947	13.6
87.00879	6.7
89.02438	4.0
93.03437	1.5
95.01388	2.7
96.95992	1.1
97.06594	0.5
99.00880	6.5
101.02431	1.8
103.00364	1.8
103.04001	0.5
108.02180	0.6
109.06593	0.6
111.04527	0.9
113.02448	15.2
115.00378	1.2
116.55346	0.4
117.01913	1.6
119.04976	1.5
121.06593	0.9
123.04546	0.6
125.02383	0.5
129.01921	0.7
130.99843	1.3
131.03494	0.8
133.02962	1.0
133.05042	0.6
133.06607	0.6
134.03732	0.9
135.04539	1.2
136.05261	0.5
137.02432	1.4
139.04048	0.6
145.02930	1.3
147.04501	2.8
148.05315	1.1
148.08936	4.3
149.04543	1.5
149.06075	10.2
151.07639	0.7
161.02499	0.5
161.06062	1.0
163.04019	1.5
165.12791	0.7
173.04488	2.0
175.02428	1.2
175.03966	2.7
177.12814	0.8
178.02638	1.3
179.03455	2.7
189.04068	0.6
191.05484	0.5
192.04187	0.5
193.05035	6.5
201.16516	0.7
205.05020	0.6
205.07086	0.6
219.02974	4.7
219.17522	29.5
220.17873	1.0
231.05017	0.7
233.15535	0.7
235.06126	0.5
249.03816	0.8
249.06131	9.3
250.06517	0.5
263.16452	6.2
265.07147	1.5
267.07138	3.3
275.09503	0.5
281.17563	1.0
357.26434	2.7
383.24298	2.8
399.24231	0.7
469.14764	0.8
469.33582	0.6
486.84991	0.6
487.06387	0.9
487.35556	1.1
495.12903	1.7
513.13971	6.1
513.23260	6.9
514.14160	0.8
514.23328	0.7
531.24377	100.0
532.24695	8.0
532.32086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.5
59.01371	31.1
69.69023	22.4
71.01382	37.6
72.99294	13.1
73.02921	11.6
75.00848	8.6
83.01382	6.1
85.02940	19.6
89.02457	20.8
92.04330	6.5
98.20578	13.0
99.00880	47.2
101.02448	16.8
111.00895	8.9
112.98808	100.0
115.00353	10.7
129.01938	25.9
130.10278	5.5
142.67085	6.2
142.99886	10.0
145.01447	15.4
161.04456	9.3
163.05505	6.2
173.00897	61.6
181.29958	5.8
193.07129	20.6
205.03468	35.7
314.40201	5.4
325.11356	78.8
389.69553	7.2
429.08737	6.5
531.19177	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	531.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03456	4.4
57.03701	0.7
58.00605	0.8
59.01379	15.9
60.99317	0.6
61.98833	3.5
67.01885	1.6
68.27275	0.6
68.99841	0.8
69.03476	1.8
71.01383	14.8
72.99306	3.2
73.02963	2.7
75.00878	10.8
81.03444	1.4
83.01375	1.3
83.04588	0.7
83.05005	3.0
85.02948	17.1
87.00883	9.5
88.98829	0.8
89.02457	5.3
93.03455	5.0
95.01402	4.1
96.95990	1.6
97.02951	0.9
99.00880	6.5
101.02436	1.5
103.00390	1.1
109.02991	1.0
111.00912	1.1
111.04538	2.5
111.08175	0.7
113.02449	20.0
115.00407	1.9
115.04019	0.9
117.01965	2.0
119.05039	2.0
121.02996	0.9
121.06606	1.0
122.86158	0.6
123.04539	1.0
123.08170	7.1
129.01945	1.4
133.03026	0.7
134.03755	1.7
135.04607	0.8
137.02440	0.8
137.06097	1.1
137.09752	0.9
139.07668	1.6
145.02957	1.8
145.10194	1.0
147.04527	1.1
149.02394	0.8
149.06075	1.6
151.07684	0.7
153.09239	0.8
160.01689	1.7
161.02353	0.9
162.82545	0.7
163.04022	1.9
169.10188	0.6
171.11777	6.2
173.04582	5.2
175.02545	1.6
175.04024	1.8
177.01950	6.3
189.01959	0.7
189.05717	0.7
189.09290	0.8
189.12860	2.4
190.17018	0.7
191.05630	10.6
193.05104	2.6
201.12874	1.4
207.13889	1.4
219.13879	1.1
231.05177	1.9
237.14925	6.7
249.06148	25.7
250.06471	1.2
267.07208	25.7
281.13956	5.4
295.03000	0.6
311.09665	0.8
313.10806	0.7
357.09528	4.6
369.12094	0.8
440.55917	0.7
469.51807	0.7
531.20996	100.0
532.21240	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	531.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98799	2.5
69.72115	3.6
69.72533	3.3
71.01389	3.0
72.99280	1.6
74.55511	1.1
85.02936	3.9
87.00845	2.4
89.02415	1.7
89.03955	3.9
93.03453	3.0
96.95976	2.6
109.02845	1.2
119.04971	1.7
120.01237	1.6
121.06563	1.2
123.04469	1.7
125.02385	1.3
131.04976	1.4
133.02980	1.4
134.03711	2.0
147.04517	11.0
148.05209	4.2
149.06064	100.0
150.06363	3.0
160.01584	3.1
161.02426	87.2
162.02983	2.5
173.04494	3.6
175.03992	6.5
189.01918	55.3
189.05478	1.6
190.02255	1.8
191.05545	4.6
193.05023	67.3
207.03018	3.1
219.02977	18.1
221.04510	1.4
233.00879	47.0
267.07007	1.9
313.10846	2.6
415.42343	1.4
487.14374	5.3
513.12091	7.8
522.33484	1.4
531.13354	61.7
532.13531	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71416	0.3
66.32266	0.4
69.53756	2.4
71.01371	1.0
76.56232	0.4
85.02958	0.6
89.02444	0.9
90.38142	0.3
93.03440	0.5
96.96024	0.5
98.20616	0.9
101.02480	0.5
103.05570	0.5
105.07085	0.4
106.04219	0.4
108.02156	2.0
109.02953	1.4
114.31747	0.4
119.05029	0.5
121.02922	0.6
121.06597	2.3
122.03738	0.8
123.04512	1.4
125.02421	0.6
127.83490	0.4
130.04234	0.4
131.05037	2.0
134.03720	1.1
136.79460	0.4
147.04527	7.8
148.05296	5.2
149.06067	100.0
150.06424	2.9
156.00217	0.4
156.70119	0.4
160.92365	0.4
161.02415	0.9
175.04030	4.7
193.05035	86.3
194.05353	2.3
195.06598	0.9
219.02953	18.9
233.00882	0.5
263.75067	0.4
284.93134	0.4
293.08917	0.5
293.92719	0.4
347.76920	0.4
487.14420	5.3
513.12512	3.2
531.13489	58.0
532.13708	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	530.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39425	0.4
50.44074	0.4
59.01365	0.9
60.20013	0.4
61.98808	1.2
66.13664	0.5
75.00857	0.6
78.95901	18.9
85.02952	0.7
91.68526	0.4
100.89822	0.5
152.99596	2.9
168.04350	3.0
189.88304	0.4
196.89513	2.7
210.62126	0.4
224.04915	0.6
224.06938	6.8
229.24886	0.5
242.07971	2.0
255.23268	100.0
256.23596	4.6
272.78149	0.4
279.23221	0.8
280.23657	1.3
480.30920	74.4
481.31238	4.5
530.30505	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	531.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
56.88236	3.0
57.03432	9.3
59.01373	71.6
61.98820	16.2
62.06112	3.3
69.03452	4.2
71.01370	21.8
71.05018	3.6
71.54301	5.0
72.99289	3.9
73.02940	7.4
75.00892	4.7
78.95853	3.5
83.01378	4.7
85.02933	16.3
87.00866	21.8
89.02441	7.6
93.03461	15.3
96.95988	5.3
99.00865	7.2
99.04522	7.5
101.02443	7.3
101.06110	2.8
108.02148	4.2
109.02982	6.6
111.00883	4.1
113.02440	11.5
113.06133	3.0
117.03465	4.4
119.03456	3.4
119.05009	13.8
121.02918	4.9
123.04445	6.3
125.02465	4.7
130.99855	4.2
133.02921	5.3
134.03702	13.7
135.04491	4.8
137.02394	6.0
145.02951	25.2
147.04512	20.5
148.05260	9.1
149.04436	2.9
149.04840	4.3
149.06067	50.2
151.07658	5.5
160.01656	6.1
161.02385	6.4
161.06100	6.4
163.03978	12.2
173.04543	21.9
175.03958	27.4
177.02002	3.0
178.02660	7.1
179.03416	8.0
183.13919	3.7
191.05646	3.8
192.04370	3.5
193.05034	41.9
198.34062	3.3
205.05038	6.7
209.02480	24.9
210.03088	6.6
219.02998	27.8
235.06041	11.1
237.01920	38.2
238.02672	20.6
241.08736	3.7
249.06085	4.6
251.03442	4.4
252.04240	34.2
255.02934	6.3
265.01410	17.8
265.07248	19.9
266.02155	100.0
267.02499	4.4
267.06680	73.6
268.06924	5.3
279.03030	4.6
281.04630	5.3
282.01929	4.1
284.03220	7.4
293.00827	23.7
294.01569	29.4
356.25452	5.0
357.15491	4.1
357.26215	12.3
372.06375	11.4
383.05591	5.4
400.05841	60.8
411.04941	10.8
415.08173	63.8
416.08936	4.9
425.06580	13.7
427.04556	4.9
428.05209	9.2
441.06046	9.1
443.07614	24.6
486.35184	4.5
487.06650	30.9
495.12576	7.4
513.13837	32.2
514.13831	4.5
531.14319	8.0
531.20917	12.1
531.31213	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	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23586	0.3
51.36879	0.4
51.72926	0.4
54.55558	0.4
55.01876	0.5
57.03446	2.7
57.38420	0.5
59.01378	8.9
61.98851	0.4
63.65069	0.4
65.87997	0.5
67.01867	0.6
68.99796	1.5
69.03445	1.6
70.72092	0.9
70.72455	0.7
71.01379	10.9
72.99306	2.7
73.02933	1.3
75.00868	8.6
81.03483	0.5
83.01404	1.0
84.99992	0.5
85.02950	12.9
87.00877	4.8
89.02440	3.3
91.04004	0.8
93.07073	0.5
95.01392	3.5
95.04999	0.9
97.02938	2.3
97.06606	0.6
97.83885	0.4
99.00866	6.0
99.04544	0.4
101.02421	0.5
103.00361	1.3
107.05006	0.6
109.02917	1.6
109.06571	1.3
111.00858	0.6
111.04502	1.4
112.01665	0.6
113.02448	17.3
114.02841	0.4
115.00393	0.6
117.01917	1.5
118.42639	0.5
119.08646	0.8
121.06583	1.1
122.03756	3.2
123.04470	0.8
124.05312	2.8
129.01927	1.0
135.08078	0.6
136.05258	0.5
137.06090	2.7
137.09694	0.5
139.07649	11.2
147.04526	0.5
147.08076	0.7
149.04395	0.5
157.01370	1.0
163.07579	0.5
168.07877	2.3
171.08170	0.4
175.02441	1.0
187.11279	4.8
189.05513	0.7
189.09149	0.6
190.09958	1.4
205.12323	8.1
217.12331	0.9
231.05029	1.0
231.10271	1.7
235.13295	0.9
249.06131	22.2
261.11343	0.6
267.07184	17.9
279.12360	1.7
314.83191	0.5
395.31842	0.4
419.91650	0.6
511.18433	0.5
529.19238	100.0
530.19592	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	529.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86055	0.5
59.01380	4.4
60.82607	0.4
65.00322	0.9
69.03477	0.5
71.01366	1.1
71.54918	0.6
73.02950	0.8
85.02932	1.2
87.00868	2.2
88.68704	0.4
93.03426	0.9
97.06578	0.5
99.92569	1.0
101.02396	0.7
116.92850	7.4
121.02908	0.8
122.03764	0.6
132.02220	0.6
133.02998	0.5
134.00011	0.5
136.98763	1.5
146.03748	0.6
147.04585	0.7
148.05296	0.5
151.00348	0.7
154.04300	0.5
160.98740	0.5
161.02472	0.7
161.99551	2.0
167.05023	0.5
171.95503	0.5
173.04533	0.7
175.03816	0.4
182.03716	0.7
189.99104	0.6
192.00647	1.0
192.04321	0.5
198.03207	0.8
209.09816	0.6
209.11772	1.7
211.11313	0.7
211.17099	0.5
212.04784	0.8
223.03970	1.0
223.11269	0.7
224.04581	0.9
225.05615	0.5
226.02748	5.0
227.03198	0.5
238.02673	1.5
239.03470	1.3
240.04268	1.0
244.30507	0.5
251.03392	1.0
251.10605	0.7
252.04260	1.9
254.02180	5.3
255.02890	0.5
264.04135	0.8
267.02850	0.7
279.02905	0.6
279.10220	1.9
282.01678	9.8
283.02341	1.0
292.07388	0.6
293.08493	0.5
295.02679	0.8
295.09775	6.3
296.03201	6.8
296.10043	0.5
297.04044	3.3
307.02423	0.6
307.09741	4.0
308.03247	11.5
308.10321	0.7
309.03979	9.3
311.05588	3.3
323.05542	7.9
323.09225	8.8
323.12735	0.4
324.06036	0.6
324.09647	0.8
334.08322	0.8
335.05585	0.6
335.09210	0.7
336.06277	0.8
337.06973	1.1
349.07043	0.5
349.10846	0.9
351.08704	37.5
352.09348	9.9
366.10840	2.1
367.11813	30.0
367.16565	1.1
368.12234	1.5
381.09894	0.7
514.14771	32.8
515.14935	3.1
529.17102	100.0
529.71277	0.5
530.17413	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	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
61.98818	0.9
65.00293	0.2
70.40197	0.4
70.40553	0.3
71.01382	0.7
72.99299	0.2
73.02940	0.3
78.95921	0.2
85.02945	1.2
86.38071	0.2
87.00887	1.2
88.98787	0.2
89.02457	0.2
89.03951	0.3
93.03447	0.7
95.01326	0.2
95.05045	0.2
96.96008	0.9
96.96977	0.2
98.20652	0.2
101.02469	0.4
109.02934	0.2
113.02486	0.3
115.62112	0.1
117.03449	0.7
119.05038	0.2
123.00859	0.2
123.04531	0.6
125.02414	0.3
129.01920	0.7
133.02960	3.4
134.03712	0.5
135.04541	0.2
137.02454	0.6
138.03204	0.2
149.06064	0.4
161.02435	100.0
162.02780	2.9
163.04004	0.4
165.05528	0.3
173.04572	0.6
175.03893	0.2
177.01999	0.2
182.76059	0.2
191.05640	0.6
193.05048	0.8
217.08798	0.2
219.06602	0.2
221.04437	0.2
231.46817	0.2
237.07878	0.2
332.07370	0.2
402.43469	0.2
432.09174	0.9
453.17099	0.2
529.14905	2.5
533.23456	0.2
538.81110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71449	0.4
57.03444	1.0
59.01382	2.1
60.99280	0.5
61.98828	0.8
67.01888	3.6
69.03445	0.9
70.01064	1.7
71.01386	3.4
75.71678	0.4
81.03479	0.5
83.05015	0.7
85.02945	1.7
87.00887	1.2
89.02452	0.7
93.03456	23.5
96.96011	1.7
96.96957	0.7
98.19949	0.5
109.02940	0.9
111.00878	1.1
111.04492	3.8
113.02456	0.5
121.02920	0.7
122.06129	0.5
129.01915	0.9
134.03737	11.8
135.04247	0.6
135.89169	0.5
137.02435	6.2
139.03978	0.4
147.04459	0.5
149.06096	4.1
149.07182	0.6
155.03442	4.2
161.02412	2.0
163.03999	0.6
166.35542	0.4
173.04538	100.0
174.04858	2.0
178.02690	7.3
178.25288	0.4
191.03543	0.7
191.05579	1.2
193.05038	26.3
194.05537	0.6
205.03432	0.6
219.06714	0.5
261.11395	0.4
277.10764	0.4
328.47546	0.4
337.04037	0.4
355.10345	6.8
355.66544	0.4
367.10437	1.2
408.87939	0.4
529.15576	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	529.1712
Annotation	Icariside I
Peak:m/z	Relative Intensity
57.23248	0.5
59.01376	3.9
61.98831	1.1
62.72109	0.4
65.00318	6.5
71.01401	0.9
71.05042	0.5
71.08902	1.0
73.02969	0.5
81.32102	0.5
85.02941	0.6
87.00874	3.1
88.98833	0.8
89.02423	0.7
99.92593	1.5
101.02452	0.6
109.56391	0.5
110.00091	0.6
113.02421	0.7
115.92016	0.5
116.92850	11.4
121.02929	0.6
125.30434	0.4
130.99870	1.5
136.98793	16.9
145.03070	0.8
147.04556	1.3
159.04510	0.9
163.03966	0.5
164.98308	0.4
168.47826	0.4
169.99431	0.5
170.65240	0.5
172.05418	0.6
173.04570	1.0
182.03732	0.5
195.04456	1.4
197.06029	0.6
201.09212	0.8
209.11787	1.7
211.13350	0.7
212.04750	1.7
213.05566	0.9
213.92108	0.7
223.04106	0.5
224.04988	0.8
225.05580	0.5
225.09187	1.1
227.10812	2.3
227.12700	0.5
229.08269	0.5
237.05606	0.7
240.04185	1.2
251.03435	1.3
251.10698	0.7
252.04237	2.1
253.05099	1.2
253.08646	0.5
255.02599	0.6
264.04205	1.7
265.05124	0.8
267.02911	3.0
267.10031	0.5
268.03656	0.6
268.11017	2.6
279.10291	1.1
281.04431	1.0
282.01590	1.0
293.04709	0.7
295.02585	1.4
295.09680	1.3
296.03214	10.8
296.10532	1.1
297.03946	5.1
300.10040	0.8
305.04514	0.7
307.02423	0.6
307.09592	1.1
308.03235	22.7
308.10498	4.6
309.04013	9.6
311.05569	11.8
312.06082	0.6
323.05521	20.8
323.09229	42.3
324.06049	1.0
324.09665	3.1
334.08426	1.9
336.06378	0.9
337.07040	2.2
337.10721	1.0
349.10770	2.8
351.08685	75.2
352.09427	46.2
353.09949	5.6
364.09351	0.7
365.10403	1.2
366.11063	8.2
367.11801	100.0
368.12100	5.7
377.10297	0.7
391.11774	0.9
409.12943	3.3
514.14764	9.5
529.17072	86.7
529.71741	0.6
530.17334	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	529.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72470	0.3
56.20011	0.3
59.01373	0.7
59.30906	0.3
69.55354	0.3
71.01369	0.6
71.52451	0.5
81.03483	0.4
83.05015	0.4
85.02937	0.7
87.00874	0.4
88.60635	0.3
90.97767	0.3
92.64917	0.3
93.03444	2.6
96.96022	0.7
109.02917	0.4
111.00875	0.5
111.04533	2.6
121.02923	1.0
127.04071	0.3
129.01884	0.4
133.02966	0.8
134.03734	38.9
135.04056	1.1
137.02448	7.3
139.04022	1.7
149.06070	14.4
150.03206	0.9
155.03485	2.9
161.02434	2.1
165.01855	0.5
173.04544	6.8
178.02699	27.3
179.03081	1.0
191.05548	0.6
193.05035	100.0
194.05331	3.0
232.00983	0.4
316.14743	0.3
355.10303	21.6
356.10504	1.2
367.10324	0.9
529.15558	18.4
530.08649	0.4
530.15594	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	529.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67804	0.3
55.01895	0.4
57.03438	1.9
59.01377	6.2
61.98827	2.3
64.18097	0.3
69.03456	1.1
71.01373	3.0
72.99317	0.6
73.02959	0.8
85.02935	2.2
87.00872	2.1
89.02457	1.1
93.03448	3.8
95.01423	0.4
96.95993	1.7
97.02978	0.9
97.06605	0.4
99.00876	0.9
99.04514	0.5
101.02458	1.4
107.05000	0.5
111.00853	0.5
111.04478	0.7
113.02451	1.4
117.03462	25.9
119.05026	10.4
121.02998	0.6
125.02416	0.3
130.04208	0.8
131.05009	4.9
132.05785	1.5
132.06676	0.3
133.06595	29.2
134.06963	0.9
137.02455	0.6
140.27914	0.3
145.02948	100.0
146.03285	3.4
147.04517	1.0
149.04543	0.6
149.06096	0.8
159.04544	1.9
161.02419	0.5
161.04633	0.4
161.06041	0.5
163.03996	7.8
164.04578	0.3
165.05479	0.6
171.04665	0.4
173.04538	3.0
173.05923	0.6
175.03920	0.7
177.05559	15.9
178.05841	0.4
179.10754	0.4
181.04976	0.4
185.00902	1.2
187.03943	1.1
189.05618	0.4
191.03699	0.4
191.05556	1.5
193.04973	0.5
202.02702	1.0
203.03487	29.1
204.03853	1.3
205.05109	0.4
217.08676	0.4
226.06334	0.6
227.03413	0.7
229.28036	0.4
232.12752	0.4
241.08563	0.6
243.02995	0.5
255.02803	0.6
263.07373	0.6
265.14392	0.5
271.02362	1.0
298.01123	0.4
299.02042	1.9
299.05249	0.5
307.08200	19.2
308.08505	0.8
313.03458	0.9
314.04291	7.6
315.04611	0.8
316.04678	0.6
329.06619	14.4
330.07016	0.8
331.07135	1.2
441.15442	6.9
442.15833	0.6
485.14420	10.4
486.14734	1.0
491.11829	0.9
511.12317	12.2
512.12274	0.7
529.13287	22.9
529.19983	1.2
530.13647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03468	0.5
57.03437	0.9
59.01389	3.5
61.98824	12.3
70.91691	1.5
71.01375	2.3
73.02953	1.0
85.02937	2.2
87.00881	3.0
89.02467	1.0
93.03430	1.0
96.96040	1.0
97.06604	0.6
101.02404	1.1
107.38518	0.5
109.02956	1.1
111.00856	0.7
113.02428	1.0
117.33020	0.6
119.05051	0.8
121.02952	0.6
125.19793	0.5
128.89955	0.5
135.04488	0.8
136.98808	0.6
137.02408	0.7
145.02893	0.8
147.04500	1.5
149.06036	1.0
160.01642	0.6
160.98827	0.7
161.02420	2.1
161.06085	0.5
161.99635	1.0
163.00351	0.7
171.04492	0.9
173.04533	1.5
173.74164	0.5
175.04044	0.5
187.04036	1.0
189.01817	0.7
191.01929	0.5
191.05620	0.7
199.03967	1.9
214.02869	0.6
215.03487	1.5
216.83389	0.5
223.04529	0.8
226.02666	0.5
227.03476	3.0
243.02995	3.8
253.01370	0.7
255.02943	4.4
258.16257	0.6
270.01660	1.6
270.05188	0.8
271.02490	9.8
285.03900	1.0
296.02954	0.6
298.01233	3.4
299.01938	12.7
300.02716	0.7
313.03522	7.4
314.04297	60.1
315.04584	2.8
328.05841	0.7
329.06635	100.0
330.06940	5.1
385.28726	0.6
467.25305	0.7
491.11786	8.3
492.12637	0.6
527.17188	0.9
527.24713	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13218	0.3
55.01866	0.9
57.03445	2.4
58.00604	0.5
59.01375	12.1
61.98824	0.7
67.01888	0.7
68.99807	0.4
69.03420	0.7
70.54124	1.1
71.01379	18.1
72.99308	4.8
73.02946	1.8
75.00869	15.3
75.01305	0.5
83.01382	0.7
83.05001	0.5
85.02947	21.0
87.00870	7.2
89.02435	4.6
93.15630	0.3
95.01384	6.1
99.00874	8.6
101.02440	1.0
103.00362	2.9
111.00908	0.7
112.01678	0.4
113.02444	27.1
115.00369	1.3
117.01951	2.6
121.41514	0.4
129.01918	1.8
131.03476	0.5
140.14682	0.4
149.04544	0.4
157.01430	0.6
175.02460	2.8
180.21185	0.3
193.03508	0.6
205.07124	2.3
206.97321	0.3
223.08199	1.2
231.05075	0.7
249.06146	6.3
250.06552	0.4
267.07184	7.4
270.51935	0.4
277.21701	48.4
278.22034	3.2
329.90817	0.3
467.26276	0.8
509.27502	3.0
527.28571	100.0
528.28888	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
61.98832	28.3
65.00341	1.1
71.01377	1.6
73.02937	1.5
75.72050	0.8
78.95934	0.7
85.02951	1.5
87.00889	1.6
89.02470	1.9
91.85362	0.7
93.03442	1.0
98.20737	1.8
99.60402	0.7
101.02429	1.3
107.01371	0.9
108.02207	0.9
109.02921	1.2
121.02988	1.5
145.02966	1.0
146.33051	0.7
147.04558	0.8
148.01691	1.1
149.04573	6.8
149.05637	0.9
149.06209	0.8
151.00340	8.9
163.00456	1.0
163.04063	1.0
164.01204	0.8
178.99913	5.2
200.81619	0.8
211.03986	1.2
226.02742	1.1
227.03632	1.6
229.82281	0.9
243.02951	7.2
244.03242	1.1
255.02948	17.9
271.02463	38.5
272.02972	2.5
284.02933	0.9
291.61411	0.9
300.02737	85.1
301.03464	36.6
302.03882	1.3
347.24033	0.9
463.08804	100.0
464.09091	6.9
466.23462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.2
57.03442	0.2
59.01392	1.6
61.98831	100.0
69.16080	1.5
71.01389	0.7
72.01676	0.2
73.02938	0.3
77.92838	0.2
78.13007	0.2
84.31797	0.2
85.02947	0.5
87.00885	0.6
89.02441	0.6
93.03468	0.4
96.95981	0.2
101.02448	0.4
113.02458	0.4
121.03030	0.2
124.01728	0.2
131.41458	0.2
134.03728	0.4
137.02441	0.4
146.66058	0.2
147.04567	0.4
149.04576	0.9
149.06117	0.3
150.04889	0.3
163.03935	0.3
173.04526	0.2
193.05127	0.4
266.88016	0.2
301.73483	0.2
350.14719	0.2
411.24078	0.2
466.23251	0.4
477.92892	0.2
526.20209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02921	0.4
57.03450	1.1
57.71111	0.4
59.01381	5.7
61.98829	100.0
62.98519	0.4
67.52316	0.4
68.15686	0.5
68.82643	0.4
69.03451	0.6
71.01378	3.9
71.54480	1.0
73.02956	1.1
78.71561	0.5
78.95900	0.5
80.67152	0.5
83.01375	0.5
85.02940	2.5
87.00861	2.9
87.04506	3.9
89.02442	2.4
93.03459	1.3
96.96021	0.6
99.00888	0.8
99.04543	1.1
101.02454	3.0
106.30527	0.4
107.12560	0.5
109.02927	0.5
111.08184	0.9
113.02477	1.8
117.03540	0.5
119.03514	0.6
123.04476	0.6
125.02451	0.8
128.93153	0.4
137.02466	0.7
137.09711	1.0
147.04532	0.7
149.04655	0.4
149.06145	0.8
155.03529	1.0
159.35934	0.5
159.54144	0.5
161.04588	0.6
165.12827	3.8
168.46739	0.4
173.04579	2.5
173.05975	0.9
175.03952	0.6
176.04776	0.6
183.13893	36.7
184.14333	1.5
191.05698	0.5
209.11903	0.7
227.12859	3.0
228.02443	0.5
253.09213	2.4
284.03317	1.3
297.11295	0.6
299.05658	1.2
315.22757	0.5
341.10443	1.0
353.23224	6.0
444.87756	0.5
463.21838	51.8
464.22324	4.0
483.06946	0.4
525.35706	0.5
526.36145	0.7
527.28107	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	525.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23828	0.3
54.18909	0.4
55.01880	2.7
57.03430	0.9
59.01381	13.8
61.98825	3.4
63.32871	0.4
69.03434	0.5
69.18133	2.4
69.18557	1.2
71.01383	3.4
72.99309	1.1
73.02953	1.2
74.76506	0.3
75.00871	38.5
77.46494	0.3
83.01400	0.7
83.05044	0.5
85.02946	4.4
86.37125	0.4
87.00894	2.1
89.02449	1.3
93.03446	1.6
97.06587	0.4
99.00874	0.5
99.04538	0.6
101.02458	2.1
103.00333	0.5
111.00875	0.4
113.02461	1.2
117.01904	1.0
123.04554	0.5
125.02424	0.7
129.01950	9.4
130.99852	0.4
132.03049	0.7
134.03784	0.5
145.02939	0.4
147.03018	2.9
147.04073	0.4
147.04565	0.3
149.06073	0.6
155.03459	0.4
160.01683	0.5
161.02280	0.4
161.04550	0.8
165.04041	100.0
166.04428	1.2
169.06691	0.3
173.04573	3.0
177.02095	0.3
191.01970	1.2
193.04950	0.5
233.02951	0.4
255.02939	0.6
255.85240	0.3
259.10016	0.3
263.55502	0.4
284.03314	1.0
291.18176	1.0
299.05438	0.4
333.19138	0.8
351.21835	1.8
481.31647	0.6
507.20465	0.7
525.14227	0.7
525.21851	4.1
525.28601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74620	0.6
57.03445	1.5
57.04414	0.5
59.01376	100.0
60.01703	0.6
60.70461	0.5
61.98825	4.3
71.01389	3.1
71.54464	0.9
73.02956	1.5
75.00873	1.1
78.95896	0.8
83.01418	0.8
83.05042	0.6
85.02952	6.5
87.00867	3.4
87.04488	0.7
88.98759	0.5
89.02455	1.3
93.03457	1.7
95.01430	0.6
96.96007	1.0
99.04527	0.8
101.02463	1.4
109.02955	0.8
109.06559	0.9
111.04565	0.9
113.02489	1.4
115.10802	0.5
123.08158	0.7
125.02489	0.9
127.45352	0.6
129.01953	0.7
132.03046	1.5
134.03770	1.2
135.04552	1.0
136.05348	0.7
137.02467	1.7
147.03094	1.1
147.04509	0.9
149.06131	1.0
151.07678	1.8
153.01888	0.8
160.01653	0.7
161.02576	1.0
163.11292	0.6
165.04027	1.5
173.04568	4.2
175.03975	0.8
191.01996	2.5
191.05649	0.6
192.04164	0.6
203.03513	0.5
280.45062	0.5
283.02634	0.6
284.03348	1.8
299.05655	2.6
351.21738	1.2
368.84891	0.5
428.09653	0.6
463.30823	1.8
481.31876	1.0
507.20987	1.0
525.14044	1.3
525.32880	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	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
61.98828	100.0
69.34741	0.6
69.35177	0.7
71.01387	0.6
73.02959	0.2
75.00872	0.2
83.01390	0.2
85.02964	0.3
87.00881	0.5
89.02464	0.7
96.95998	0.2
101.02472	0.3
108.02161	0.3
109.02944	0.2
113.02481	0.2
147.04640	0.2
149.04576	0.2
149.06113	0.2
152.01218	0.5
156.22414	0.2
159.04413	0.2
163.04036	0.2
173.04578	0.2
178.40974	0.2
194.99287	0.4
211.07693	0.2
257.60028	0.2
284.03287	0.5
285.03784	0.3
299.05392	0.2
344.65454	0.2
350.09491	0.3
351.70227	0.2
361.16641	0.3
362.17178	0.3
463.22046	0.6
464.22180	0.7
480.26184	0.2
524.14490	0.3
524.22131	0.7
525.22839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03443	3.6
59.01108	2.3
59.01381	31.3
60.01735	2.4
61.98830	100.0
63.99251	2.8
69.03453	1.7
71.01383	24.1
71.54455	2.5
73.02948	6.0
75.00883	3.9
83.01398	3.5
84.06783	1.8
85.02946	10.5
87.00876	6.6
89.02454	9.9
93.03451	9.9
99.00866	2.6
101.02444	9.9
111.00869	3.5
113.02421	7.8
117.03471	4.6
117.53945	1.6
119.05019	17.2
121.02947	13.1
122.03284	3.7
125.02449	5.8
126.02801	2.3
129.01906	1.6
130.04253	4.1
131.05026	4.7
143.05002	2.7
145.02925	8.1
147.02974	3.8
147.04489	1.9
149.04625	2.4
149.06068	2.3
151.00325	2.6
154.02277	2.4
157.85168	1.5
158.03751	10.2
159.03180	3.4
159.04506	32.5
161.04587	2.0
163.03992	9.3
171.04498	3.4
173.04488	2.3
190.06636	1.6
191.01897	2.3
210.06857	7.5
211.07623	65.7
212.07971	8.5
216.29469	1.7
222.06868	2.8
223.07654	8.6
227.03485	19.8
237.09152	4.3
247.07765	1.6
255.02968	35.2
256.03644	7.7
265.08606	21.4
283.02490	4.4
284.03238	50.0
285.03885	12.4
286.04153	1.7
308.11682	2.4
361.29535	2.9
362.30490	1.9
369.10104	15.7
369.60315	3.7
375.27448	28.9
376.27841	29.9
430.17972	1.9
442.12115	5.0
448.18878	2.0
449.12567	17.9
449.62839	3.0
461.10605	1.8
464.22205	2.6
492.17535	4.0
502.14883	7.0
502.64810	3.5
523.34448	12.3
524.14117	4.2
524.21582	6.1
524.31982	13.9
524.34937	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	525.1765
Annotation	Physalin Z
Peak:m/z	Relative Intensity
54.71980	0.6
57.03429	0.7
58.66996	0.5
59.01379	5.5
61.98827	5.3
65.00307	2.7
67.01865	0.6
68.99838	1.1
69.50083	3.8
71.01384	0.8
73.02938	1.1
75.74503	0.6
83.41482	0.6
85.02956	0.8
87.00870	1.3
87.04501	3.4
89.02441	1.0
95.01353	1.3
96.67633	0.6
101.02441	0.6
109.99360	1.1
110.00081	9.5
111.00890	2.1
112.55995	0.6
113.02438	1.5
123.00854	1.0
125.99570	1.4
136.98801	4.0
137.02451	3.6
137.99567	0.9
139.00363	5.0
140.01125	6.0
146.03711	2.6
148.01662	0.7
149.06244	0.6
151.07657	1.1
155.03497	16.7
158.03796	0.7
159.04459	1.7
160.05286	1.2
161.38210	0.6
161.99559	1.0
163.00351	1.8
164.98274	2.3
165.99062	29.4
166.99843	4.9
171.04462	2.3
172.05286	5.1
173.06009	1.2
174.03223	1.3
174.06836	1.6
175.03975	0.7
181.01413	26.0
182.01849	0.9
183.04564	1.5
185.06082	3.0
186.06847	3.9
187.04024	0.9
196.05237	0.8
197.06137	1.0
198.03178	0.8
199.04030	3.7
200.04774	15.9
201.05365	1.8
207.03047	0.6
209.11929	0.6
210.06827	0.8
211.04027	1.2
212.04819	1.3
213.05568	7.7
213.08910	0.6
214.06342	1.7
215.03470	1.3
218.05659	0.7
224.04582	0.7
225.05519	0.7
226.02609	0.9
227.03468	3.5
227.07028	0.7
227.10718	0.6
238.06436	0.6
239.03290	1.0
239.07191	0.7
240.04301	1.3
243.02942	4.6
255.02977	4.7
255.13884	2.0
256.03247	0.6
265.08569	0.6
269.15594	0.7
271.02423	7.4
277.05078	0.6
278.06155	0.7
281.11801	1.2
281.15384	1.0
287.12640	1.4
293.04648	0.7
294.08737	0.7
295.02295	0.9
295.13406	0.9
296.03143	3.4
297.14902	2.7
299.01965	15.5
299.05301	1.1
299.12900	1.8
300.02512	0.7
307.13330	3.0
314.04309	25.3
315.04684	2.3
315.15790	0.8
317.13824	1.6
323.12918	0.8
324.02643	9.0
325.03210	0.8
325.10486	1.1
325.14410	18.1
326.14670	1.0
329.13693	0.7
336.06540	1.1
338.04163	1.2
339.05048	6.7
340.05408	0.8
341.13773	0.9
342.14624	1.9
343.15485	31.5
344.15753	1.9
351.12476	1.3
367.04526	8.1
369.13391	13.8
370.13907	1.4
381.06131	3.7
411.14731	2.8
449.16180	0.7
453.11627	1.3
468.14047	1.8
481.19278	0.9
483.29498	1.0
492.14136	2.8
493.14911	0.9
507.16534	7.5
510.15527	0.9
524.35034	1.1
525.17615	100.0
525.30493	2.7
526.17798	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	524.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03449	0.7
59.01366	1.9
61.98826	100.0
69.25259	1.2
69.25674	0.4
71.01376	1.7
73.02943	0.5
75.00878	0.6
83.01374	0.2
85.02963	0.8
85.06597	0.2
86.03262	0.2
87.00894	0.4
89.02419	0.9
91.47188	0.2
93.03463	0.3
95.01431	0.2
96.65475	0.2
97.06689	0.2
101.02399	0.8
102.80309	0.2
109.02953	0.3
111.00858	0.5
113.02421	0.2
119.05029	1.2
125.02397	0.2
129.01962	0.4
131.03496	0.3
137.02420	0.3
139.11310	0.4
145.02966	0.4
147.03021	0.7
149.04602	0.3
159.04512	0.3
161.04590	0.4
163.04018	1.0
173.04596	0.3
191.02017	0.2
204.43443	0.2
211.07687	0.2
220.35722	0.2
227.03537	0.6
255.03056	0.7
266.02237	0.2
284.03250	1.0
285.04010	0.3
299.05737	0.4
300.05768	0.2
301.06174	0.2
324.72971	0.2
329.23358	0.4
350.09717	0.3
357.26715	0.3
362.17313	0.2
375.27475	11.4
376.27823	5.2
377.18173	0.3
391.27103	0.2
431.25241	0.3
442.11862	0.2
446.08783	0.5
461.10947	0.8
463.22083	0.8
464.11697	0.2
464.22061	1.0
499.38968	0.2
523.30951	4.8
524.14270	0.2
524.23346	0.4
524.31268	3.4
525.22815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
57.03447	3.6
58.00588	0.7
59.01379	29.1
61.98828	4.4
67.01901	0.5
69.03470	1.0
70.38205	1.2
71.01378	9.5
72.99316	0.7
73.02940	3.3
75.00874	8.0
78.95914	0.6
83.01392	1.7
83.05032	0.8
85.02947	6.5
87.00881	3.0
87.04525	0.7
89.02446	4.7
95.01368	0.7
96.96001	0.4
97.02959	1.9
97.06561	0.4
98.20615	0.6
99.00848	1.0
101.02442	6.7
109.02953	1.5
109.85496	0.3
111.00871	8.5
111.08173	0.4
113.02437	3.6
119.03512	2.0
119.04933	0.5
121.03001	0.4
123.00877	0.9
124.01631	0.8
125.02451	1.1
125.09746	1.2
127.11276	0.9
129.01950	2.9
133.06610	1.2
135.04552	0.9
137.02432	1.3
137.09662	0.5
138.07011	0.4
139.11263	0.4
143.03571	0.5
143.10770	1.0
145.02908	0.7
146.03781	1.8
147.02997	4.0
147.04478	0.8
151.06165	0.4
153.29468	0.3
155.10779	1.5
157.12347	0.8
161.04565	1.2
163.03989	3.3
165.04045	8.4
165.05455	0.8
171.10303	1.9
173.04546	0.8
175.02432	0.5
179.05666	0.8
179.07066	0.5
183.13919	0.6
185.11790	0.4
190.02774	0.5
191.01952	4.0
193.05008	0.5
201.09229	0.4
201.11304	1.2
203.10715	1.6
207.02872	0.6
208.03709	1.9
227.12776	0.7
229.12303	2.4
243.16003	0.6
252.02831	0.6
273.18390	0.8
273.20999	0.4
299.16504	1.3
299.22424	0.4
311.22394	0.9
317.17569	0.5
327.25232	0.7
329.23273	2.2
339.25488	0.5
343.15546	3.1
345.26416	3.0
349.09293	6.5
349.20221	1.0
357.26431	4.3
361.16541	9.0
361.29623	2.5
362.16742	0.6
373.25821	1.7
375.27475	100.0
376.27759	6.8
403.17578	2.3
463.19086	0.6
481.24039	0.7
510.42917	0.4
523.22260	6.4
523.30719	55.7
524.22723	0.8
524.31720	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77899	1.0
55.01882	2.4
57.03446	2.4
59.01380	19.2
61.98829	54.2
71.01382	33.7
71.05035	2.6
73.02944	13.5
75.00888	2.3
83.01380	4.5
84.55548	1.1
85.02946	15.0
87.00864	10.4
88.98792	2.3
89.02441	10.4
92.84055	1.1
93.03477	1.9
95.01391	2.4
96.95980	1.1
97.02937	1.1
99.00848	6.9
101.02437	21.7
108.02171	1.4
109.02961	4.7
111.00878	14.0
113.02450	14.7
115.03957	1.4
117.03491	1.7
119.03484	2.2
119.04971	1.6
125.02470	2.0
129.01956	1.5
131.03464	1.9
135.04521	2.0
137.02498	1.8
143.03453	1.5
145.02948	5.3
147.04506	1.3
149.04616	1.9
149.06013	1.8
153.09265	1.1
159.02971	3.4
161.02480	1.6
161.04573	11.9
163.03995	5.4
173.04500	1.9
187.04082	2.9
191.01997	5.7
191.05704	1.8
193.05035	2.1
207.03009	2.1
208.94858	1.1
209.11800	3.2
219.03036	1.1
227.03609	1.0
237.03996	1.5
253.05168	1.7
255.02902	3.1
279.06598	1.5
283.02484	2.0
284.03241	3.2
285.03412	2.1
286.03683	2.2
299.05490	2.4
301.06476	1.9
331.17624	8.8
349.09238	9.0
350.09308	1.3
375.27411	4.3
391.26797	2.5
442.12000	5.1
442.62009	1.9
461.11041	1.1
463.11298	3.0
463.21799	100.0
464.22202	6.2
479.24811	3.4
523.21863	1.5
523.31061	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	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
56.71275	1.2
57.03447	2.2
59.01110	1.6
59.01382	21.5
61.37256	0.9
61.98826	57.8
65.27357	1.0
69.03437	1.5
69.38193	8.4
71.01382	35.0
72.99311	1.5
73.02950	15.8
75.00877	1.4
83.01383	4.3
85.02941	19.3
87.00860	8.9
88.98797	2.1
89.02426	11.2
93.03442	2.7
95.01423	2.5
97.02917	2.1
97.06571	1.2
99.00879	6.0
101.01797	1.6
101.02441	20.2
108.02149	1.9
109.02940	5.5
111.00883	11.9
113.02438	14.0
117.03455	1.8
119.04995	4.3
121.02966	1.5
123.04530	1.3
123.43832	1.2
124.01621	1.1
125.02412	2.7
125.55601	1.0
129.01976	1.2
131.03482	1.3
134.03676	1.0
135.04469	1.7
137.02406	2.0
143.03455	2.1
145.02956	8.4
147.04468	1.8
149.04501	1.8
149.06026	3.0
159.02934	2.4
159.04434	2.0
161.02434	2.3
161.04532	12.8
163.03981	6.2
165.05548	1.0
165.99034	1.0
173.04520	2.3
175.03984	1.1
187.03996	2.4
191.01979	7.8
191.03505	1.5
191.05589	2.6
193.04982	2.6
207.02960	2.0
209.11778	3.8
211.07591	3.4
219.65562	1.0
227.03423	2.8
253.05034	1.7
255.02991	5.4
265.08664	1.1
271.06134	1.4
280.03769	1.3
283.02756	1.3
284.03241	7.3
285.03735	1.7
293.08383	1.1
299.05457	1.9
301.06305	2.0
305.10336	1.3
323.05539	1.7
331.17615	10.4
349.09277	12.8
369.09573	1.1
375.27405	4.6
391.27124	5.8
403.06500	1.9
442.11884	7.7
442.61835	2.0
455.12241	1.4
463.21841	100.0
464.22183	6.0
479.25189	4.9
523.21045	1.9
523.31287	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	523.2549
Annotation	Glabcensin P
Peak:m/z	Relative Intensity
50.90604	0.4
55.01871	1.2
57.03446	1.9
58.00597	0.7
59.01377	100.0
60.01718	0.5
60.05488	0.5
62.62408	0.4
69.03453	2.2
69.35103	1.2
69.35505	2.1
71.01378	24.0
71.05032	1.7
72.99314	0.7
73.02943	20.0
75.00879	1.0
81.03456	0.6
83.01385	6.1
83.05030	1.1
85.02943	5.8
87.00896	1.6
87.84670	0.4
89.02443	7.4
93.03456	0.5
95.01389	1.4
95.20204	0.5
96.96005	0.7
97.02948	5.8
98.19803	0.7
99.00898	1.6
99.04578	0.6
101.02437	20.6
109.02955	1.8
111.00935	0.5
111.04551	0.7
113.02444	10.8
119.03510	3.1
119.08730	0.6
123.04514	0.7
125.02441	0.6
127.03982	0.5
131.03519	1.7
137.09753	0.5
143.03511	1.8
147.03003	0.5
147.04469	0.5
149.04594	1.1
155.03569	0.8
161.04561	5.7
163.11218	0.5
165.04071	1.6
165.12856	1.2
173.04663	1.2
179.05676	1.4
185.00911	0.5
201.16522	0.9
203.05675	0.6
205.16014	0.9
219.17595	1.6
233.10413	0.5
247.13318	0.5
249.15022	2.7
257.15442	0.5
257.16422	0.6
257.19049	4.3
275.20169	5.6
301.18069	12.1
319.19147	5.5
349.20462	0.8
361.29730	0.6
375.27182	2.8
390.97952	0.5
463.23325	6.1
481.24496	6.5
481.31000	0.6
523.25269	4.8
523.35284	4.0
524.26703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03446	4.4
59.01376	10.1
60.01759	0.3
61.98826	59.4
69.03459	0.7
71.01378	9.7
71.01783	0.5
72.99314	0.7
73.02947	2.9
75.00864	3.2
83.01387	1.1
85.02946	5.8
85.06600	1.1
87.00881	3.0
88.98798	0.9
89.02438	6.7
93.03449	1.0
95.01379	0.3
96.95986	0.3
97.02933	0.6
97.06602	0.9
99.00878	1.5
101.02432	6.8
105.17927	0.3
107.05042	0.4
108.02199	0.8
109.02930	2.5
111.00872	6.8
113.02440	2.8
113.09750	1.1
115.03983	0.3
115.07665	0.8
117.03452	0.8
119.03494	1.1
119.05000	2.4
121.02955	0.9
121.18084	0.3
122.03729	0.6
123.00899	0.4
123.08111	0.3
124.01636	0.7
125.02470	0.7
128.58675	0.3
129.01950	1.8
131.03490	1.7
134.03714	0.5
135.04495	0.8
136.01656	0.3
137.02446	0.9
143.03473	0.5
145.02962	1.9
146.03766	0.4
147.02986	3.6
147.04494	0.9
149.04561	2.4
149.06061	1.1
157.08665	0.6
159.02953	0.3
159.06606	0.3
160.01625	0.5
161.02405	0.6
161.04553	1.3
163.03998	3.6
165.04089	0.6
165.05551	1.1
173.00986	0.3
173.04556	1.3
175.03972	0.5
179.03568	0.4
179.05629	0.3
179.07091	0.4
183.13933	0.6
191.01971	3.5
191.03719	0.5
191.05623	1.3
193.05057	0.7
195.03036	0.3
199.16910	0.4
201.15080	0.5
207.03015	1.1
208.03801	0.4
209.11748	0.4
211.03819	0.3
227.03516	0.8
233.06540	0.5
237.04036	0.6
243.15997	0.7
251.07683	0.4
255.02943	1.0
256.03387	0.3
283.02542	0.7
284.03214	1.8
285.03290	0.8
286.03867	0.4
293.08710	0.6
299.05585	1.3
300.05908	1.0
301.06061	1.8
305.10297	0.4
327.25372	0.7
329.23276	2.9
331.17755	1.5
339.25693	0.3
345.11884	0.4
349.09256	5.5
357.26434	3.5
358.26810	0.4
359.24460	0.4
361.16501	3.4
373.25928	0.4
375.27469	100.0
376.27795	5.7
381.13885	0.3
391.27234	1.7
391.31320	0.4
442.11731	0.3
446.08157	0.3
448.09055	1.8
461.10904	0.5
463.12247	1.9
463.21796	17.2
464.22107	1.4
464.81754	0.3
485.10947	0.3
500.44391	0.3
523.22113	4.4
523.31042	51.2
524.23315	0.5
524.31396	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	523.218
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01862	2.0
55.70154	0.6
57.03437	2.3
59.01377	28.5
59.91084	0.7
61.98828	6.4
62.74409	0.6
69.03444	0.9
71.01379	22.4
71.53868	0.9
72.01712	0.7
72.99296	2.2
73.02946	6.9
75.00864	1.3
83.01393	3.3
85.02940	10.5
87.00430	0.7
87.00850	3.7
88.98794	1.6
89.01926	1.2
89.02442	14.4
93.03437	3.4
95.01380	1.8
96.96000	1.6
97.02941	0.7
99.00865	3.6
101.02438	17.5
108.02187	0.9
109.02946	4.5
111.00882	5.3
113.02448	7.2
116.40792	0.7
119.03484	3.0
119.05003	2.0
121.02964	9.1
122.03732	7.6
123.04508	1.8
125.02486	0.8
129.01888	1.1
131.03476	2.4
134.03726	1.4
135.02962	0.8
135.04526	3.0
137.02411	2.6
143.03554	0.9
145.02936	1.9
145.06613	0.7
146.03720	1.2
147.04523	6.0
149.04573	5.7
149.05891	3.2
156.57462	0.6
159.03030	0.6
161.02409	1.3
161.04539	2.9
161.06058	2.6
162.06793	1.0
163.04007	3.6
164.04828	1.0
165.04163	1.3
165.05553	18.0
166.05841	0.8
173.04530	2.4
179.07109	5.7
191.01898	3.2
191.05559	2.6
191.07042	1.1
193.05023	1.1
205.08495	0.7
207.02910	0.8
209.11809	3.2
223.09776	1.1
227.03548	0.7
230.02228	2.4
237.03961	1.5
253.09300	0.9
255.03000	1.8
258.01740	0.8
284.03351	3.0
298.12280	0.9
299.12714	0.7
312.53824	0.6
313.14395	2.2
315.12320	1.9
328.13144	2.3
331.17740	1.3
343.15460	4.5
346.14188	6.9
347.14841	1.7
349.09299	3.8
361.16534	64.6
362.16837	3.2
391.26852	2.0
407.07678	2.1
443.11053	1.3
463.21753	20.5
464.22195	1.1
523.21771	100.0
524.22089	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.218
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03432	0.6
59.01376	5.9
61.98827	1.6
69.03481	0.4
69.43940	1.7
69.44361	0.8
71.01381	5.4
72.99307	0.5
73.02942	1.8
75.00861	1.7
82.21431	0.3
85.02948	2.3
87.00874	1.1
88.98809	0.6
89.02433	4.6
93.03445	1.6
95.01392	0.5
97.02908	0.4
99.00881	1.3
101.02439	3.9
108.02136	0.4
109.02942	4.2
111.00874	0.8
111.04523	0.4
113.02438	1.7
119.03530	0.5
119.05020	0.7
121.02946	12.0
122.03737	10.5
123.04571	1.8
124.01656	1.2
125.02458	0.8
129.03415	0.8
131.03502	1.3
131.46132	0.4
134.03784	1.0
135.04514	1.5
136.05342	1.2
137.02399	1.8
143.03427	0.4
145.65955	0.3
146.03735	0.5
147.04520	4.6
148.05261	0.7
149.04546	4.0
149.06027	1.5
154.02701	1.1
161.04520	1.3
161.06038	1.3
162.06801	0.3
163.04001	0.6
164.04787	0.4
165.05559	20.8
173.04555	1.1
175.04051	0.3
175.07535	0.5
178.06393	0.5
179.07123	7.6
180.07442	0.3
191.01895	0.4
191.05560	0.8
191.07155	0.5
193.05136	0.5
209.08157	0.7
212.47984	0.3
223.09807	0.8
228.94235	0.4
266.08011	0.4
285.11343	0.4
298.12128	0.8
301.10950	0.3
313.14429	0.8
315.12390	2.2
316.13104	0.9
328.66830	0.3
331.17776	0.6
346.14142	8.8
347.14484	0.5
349.09140	0.7
349.18759	0.5
361.16525	100.0
362.16913	5.8
371.40909	0.4
386.42978	0.4
456.58261	0.3
463.21799	9.3
464.22061	1.1
523.21576	0.4
523.30969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01378	5.6
61.98809	3.8
69.03438	1.0
71.01351	4.4
73.02944	1.7
75.00853	3.2
85.02930	3.5
87.00868	100.0
87.60194	1.2
88.98765	1.5
89.02428	2.7
93.47415	1.1
96.95975	3.6
98.20702	1.7
101.02424	2.2
108.02100	1.1
110.81427	1.1
112.98785	3.2
113.02407	1.5
116.92873	1.5
130.99797	3.1
149.06052	3.7
159.04486	2.9
162.88075	1.2
163.03993	1.9
165.04047	7.6
173.04579	1.7
173.06116	1.1
174.03223	1.7
175.03954	1.8
183.04510	1.8
185.06029	1.5
191.05531	2.6
193.05057	2.8
197.06017	2.9
199.03812	1.6
199.07561	2.4
200.04701	1.6
201.05536	2.3
203.03485	19.4
204.04131	1.2
209.06050	3.4
211.03973	5.2
212.04727	4.5
213.05449	3.7
214.02696	3.2
215.03496	23.6
215.06982	3.0
216.03975	1.1
225.05527	15.3
226.06151	3.0
227.03554	6.3
227.07059	6.1
228.04259	8.0
229.05017	22.1
230.05800	20.5
231.06487	3.3
237.05592	1.4
241.05066	5.2
242.05739	3.7
243.02917	3.3
243.06609	21.4
244.07201	2.5
245.04417	2.5
245.08104	1.4
246.05272	22.3
247.05919	1.3
251.07147	2.7
253.05003	9.5
253.08649	3.3
255.02817	2.0
255.06740	1.5
256.03665	4.7
257.04578	3.0
269.04636	1.9
269.08115	7.1
270.05295	2.6
271.06088	29.4
271.09210	2.6
272.06711	5.0
273.03784	2.5
274.04791	3.2
279.06427	2.1
283.02399	2.3
283.05771	1.4
284.03302	2.7
285.07602	2.8
286.08414	1.5
287.05841	2.2
287.09174	9.8
295.06216	1.9
297.07657	9.2
299.05557	3.7
301.07404	1.3
303.08899	1.8
311.05682	1.4
313.03650	1.3
313.07025	4.8
315.05045	3.7
315.08673	11.8
323.05652	2.0
331.08258	15.4
341.02838	5.2
341.06668	5.2
355.04572	1.7
357.06177	1.5
359.03879	2.6
359.07681	7.8
367.04184	1.4
373.09518	1.3
375.07013	1.5
385.05652	5.5
391.06476	2.1
399.07266	1.6
403.06671	7.7
417.08179	3.5
443.05957	1.3
461.06876	1.8
487.05212	3.7
487.14496	1.3
491.04422	4.4
505.06158	20.6
506.06555	1.9
523.07159	65.0
523.19281	2.6
524.07556	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	523.2184
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.46172	0.7
55.01867	2.1
57.03433	2.3
58.00581	1.7
59.01381	37.2
60.25368	0.7
60.36388	0.7
60.99302	0.8
61.98830	56.9
67.01871	1.1
71.01381	29.9
71.05091	1.9
72.99299	2.0
73.02943	9.3
75.00864	1.8
75.45742	0.8
81.03414	0.9
83.01392	3.4
85.02951	12.8
86.00166	0.8
87.00868	6.7
88.98797	2.2
89.02443	20.9
93.03469	4.0
95.01379	2.2
96.95998	2.4
97.02891	0.9
99.00871	6.3
101.01796	1.3
101.02440	18.2
108.02166	1.6
109.02949	6.0
111.00896	8.1
111.04460	0.9
112.06683	0.8
113.02446	9.7
115.03991	1.0
117.03436	1.0
119.03480	3.1
119.05016	2.7
121.02945	7.8
122.03749	8.0
123.04530	2.4
124.01659	1.8
124.49168	0.7
125.02486	1.3
125.19551	0.7
131.03520	4.5
134.03714	1.4
135.04521	3.3
137.02423	2.9
143.03467	1.0
145.02928	2.5
146.03714	1.4
147.04530	5.5
148.05315	1.1
149.04584	7.0
149.06023	5.2
154.02763	1.1
161.02457	1.3
161.04530	3.8
161.06052	2.7
162.61928	0.8
163.04063	4.4
165.05569	16.1
165.10379	0.7
173.04526	2.2
177.05557	0.8
179.07117	5.0
191.02026	4.7
191.03477	0.8
191.05540	3.8
193.05061	2.0
207.03049	1.3
208.03708	1.1
209.11790	2.9
230.02274	1.3
237.03937	2.4
255.02977	2.1
284.03265	3.4
285.03079	2.2
299.05496	1.5
313.14386	1.4
315.12167	0.9
328.13162	2.3
329.13925	1.2
331.17609	3.6
334.29349	0.9
343.15527	3.3
346.14154	6.5
347.14804	1.7
349.09235	7.6
361.16537	61.7
362.16919	3.3
375.23917	0.9
391.26996	2.4
407.07370	1.0
427.38205	0.8
443.10968	0.9
449.09146	1.1
463.11307	2.8
463.21796	40.2
464.22086	2.0
505.45624	0.8
523.21857	100.0
524.21985	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45478	0.4
55.01873	1.2
57.03457	1.0
58.00595	0.6
59.01378	38.4
60.01716	0.5
60.69828	0.4
61.98828	100.0
69.03451	0.6
71.01379	9.6
71.54636	0.7
72.99306	0.8
73.02940	3.6
75.00880	1.7
78.95918	0.8
79.35455	0.4
83.01397	1.6
85.02953	6.2
85.06539	0.5
86.03291	0.5
87.00875	1.6
89.02444	2.4
93.03477	0.8
95.01389	0.5
96.96035	0.8
96.96957	0.6
97.06596	0.6
99.00829	1.0
101.02447	6.0
102.02777	0.6
109.02965	1.1
111.00914	0.7
113.02464	3.2
113.03139	0.4
119.05025	0.5
121.02991	0.7
123.04588	0.5
125.28416	0.4
137.02438	1.1
143.03497	0.6
147.04553	2.2
161.04585	1.7
173.04582	1.8
179.03584	0.5
183.13930	0.8
191.01915	0.9
191.05586	0.8
191.95215	0.4
209.03062	0.7
212.13843	0.4
213.15129	0.5
243.16235	0.5
244.16168	0.5
273.20694	1.2
283.13849	0.5
314.18512	0.8
332.19382	0.9
343.25064	0.6
343.46228	0.4
359.28015	1.0
360.28616	0.9
373.21841	2.8
373.26294	3.7
374.26392	6.2
375.27631	1.6
406.62012	0.5
415.23419	2.8
436.97821	0.4
454.36334	0.5
462.31262	0.7
478.21753	0.8
521.33716	4.5
522.20734	3.9
522.33398	7.4
523.26971	2.6
523.34631	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	522.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03446	1.0
59.01377	14.5
61.91690	1.0
61.98820	5.8
68.99856	0.9
71.01377	16.9
72.99287	1.9
73.02948	5.6
75.00831	1.5
83.01382	2.8
85.02952	9.2
87.00863	4.8
89.02428	5.0
93.03434	3.7
95.01347	1.3
98.19899	2.7
99.00861	7.9
101.02435	11.9
108.02195	1.5
111.00883	1.2
113.02447	8.7
119.03508	1.1
119.04974	1.7
123.03278	5.1
129.01915	1.0
132.89110	0.9
138.05598	100.0
139.05943	1.4
140.07176	14.8
141.01929	3.4
147.04587	1.0
152.01125	1.4
159.02950	1.2
161.02426	3.9
161.04506	4.6
173.04535	2.5
180.06628	3.1
191.03575	1.1
191.05576	3.9
228.06642	5.0
300.10828	22.9
301.10977	0.9
302.12442	3.4
316.04996	1.2
459.15353	2.9
462.16144	70.2
463.16583	4.5
486.13693	1.7
522.18964	4.8
523.18365	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	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.4
61.96036	0.3
61.98828	100.0
63.21450	0.5
69.37597	2.7
69.37995	0.8
71.01384	3.2
71.34367	0.3
73.02944	6.1
83.01390	1.5
85.02969	0.4
89.02456	1.3
95.74718	0.4
98.20654	0.8
101.02433	5.5
113.02442	2.7
119.03495	0.8
143.03519	0.6
149.04596	1.7
161.04533	2.5
214.04700	0.4
221.06740	1.0
521.33411	0.7
522.34106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33691	0.4
55.01891	0.4
59.01377	34.7
61.98828	100.0
71.01373	3.6
71.31270	0.8
72.99322	0.5
73.02946	0.9
75.00871	1.0
85.02970	1.9
87.00896	1.0
89.02431	2.0
101.02416	2.3
113.02455	1.1
119.03497	0.6
120.31641	0.4
131.63625	0.5
147.04564	1.1
161.04512	0.6
165.04051	1.1
291.08707	0.6
314.18246	0.5
361.12527	0.6
373.22412	1.8
374.26370	0.6
415.23343	5.3
435.13647	0.4
507.70700	0.5
521.32892	1.0
522.20648	1.3
522.34131	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
57.03447	3.5
58.00586	0.7
59.01379	14.8
61.98820	0.8
69.03455	0.6
69.21087	0.3
69.21487	2.3
71.01380	21.1
71.05015	0.6
72.99293	0.9
73.02946	9.5
75.00869	1.2
83.01382	5.6
84.02182	0.4
85.02946	14.2
85.06582	1.0
86.00086	0.7
87.00861	2.2
87.04507	0.3
89.02452	2.8
89.26175	0.2
93.03446	0.8
93.07089	3.7
95.01383	2.0
96.96012	0.3
97.02958	0.7
97.06579	0.7
98.19900	0.4
99.00882	3.5
101.02438	20.0
110.04977	0.2
111.00884	3.3
113.02438	8.9
119.03478	0.8
119.05046	0.5
125.02453	0.6
129.01961	1.4
137.02438	0.8
139.07701	0.4
141.01903	0.4
142.98170	0.2
143.03513	0.7
145.02986	0.3
147.04494	0.7
147.11765	0.5
149.06114	0.3
153.09180	0.3
155.10783	0.3
157.08720	2.2
157.12296	0.5
159.02979	2.5
159.04379	0.4
160.01575	0.4
161.04530	4.2
165.04150	0.3
165.05504	0.4
173.04515	1.0
173.06047	0.5
175.03976	0.3
179.05710	0.3
183.13918	0.4
187.07750	0.5
187.09592	0.3
201.05502	0.3
205.03450	0.3
209.15471	0.8
229.18068	7.9
271.18964	0.3
285.08005	0.3
297.15109	0.6
299.05511	0.3
313.23837	0.5
316.05368	0.3
317.05875	0.4
323.16382	0.7
341.17368	0.7
347.24637	0.5
359.18594	0.5
359.28000	7.9
360.28339	0.7
371.24503	0.3
373.25839	3.9
375.16269	0.2
389.25516	2.2
391.23361	9.2
391.28452	0.6
392.23795	0.7
461.31378	0.7
477.21542	0.6
485.31326	0.5
491.32312	0.8
503.32449	0.7
521.33337	100.0
522.33679	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39616	0.2
55.01882	2.4
57.03450	3.9
58.00578	0.6
59.01382	13.8
61.98820	0.9
63.74774	0.2
66.03207	0.2
68.99814	0.3
69.03454	1.1
69.05623	0.2
71.01381	22.7
71.05024	0.6
71.54584	0.3
72.01704	0.2
72.99306	1.0
73.02946	9.3
75.00885	1.4
75.09454	0.2
81.03467	0.3
83.01386	6.3
83.05055	0.2
85.02950	14.6
85.06593	1.1
86.00125	0.4
86.12920	0.2
87.00874	2.9
87.04520	0.3
89.02441	3.1
93.03473	1.0
93.07111	2.6
95.01385	2.4
95.05003	0.2
97.02962	0.9
97.06580	0.8
99.00878	4.0
101.02442	18.8
102.02800	0.3
111.00885	3.7
113.02449	8.7
119.03501	0.9
119.05009	0.6
123.04533	0.4
123.08109	0.3
123.76929	0.2
125.02428	1.0
125.09764	0.5
129.01923	0.9
129.09201	0.3
131.03461	0.2
133.02943	0.3
135.04492	0.2
137.02432	1.0
137.09619	0.2
139.07657	0.5
141.01947	0.4
143.03482	0.6
145.02934	0.3
146.03648	0.2
147.04498	2.3
147.11819	0.7
148.05280	0.6
149.06140	0.2
157.08705	2.7
157.12308	0.6
157.21779	0.2
159.02986	2.5
159.04503	1.0
160.05269	0.2
161.02467	0.4
161.04568	4.4
161.05936	0.4
163.04010	0.4
165.04024	0.4
165.05426	0.3
165.12831	0.2
172.05295	0.8
173.04549	1.4
173.06073	2.7
173.11972	0.2
174.03316	0.2
174.06818	0.6
175.03993	0.6
176.04732	0.4
179.05681	0.3
181.16017	0.2
185.06046	0.3
185.15497	0.3
186.06935	0.5
187.04021	0.5
187.07649	0.5
187.09512	0.2
189.05592	1.0
191.03406	0.2
192.04193	0.2
197.06102	0.9
198.06845	0.5
199.07642	0.4
200.08359	0.4
201.05580	1.0
205.03496	0.3
209.15468	0.7
211.03905	0.2
211.07607	0.3
211.13451	0.3
211.16896	0.3
215.07166	0.8
216.07906	0.8
223.04419	0.3
227.03465	0.2
227.16458	0.2
229.18082	7.6
231.16078	0.2
236.40781	0.3
257.17728	0.3
260.06848	0.2
271.13309	0.2
271.19370	0.2
283.02533	0.3
283.13403	0.6
284.03214	0.4
285.14874	0.5
297.14908	3.7
299.05588	0.4
299.25638	0.2
300.02670	0.3
302.03189	0.2
311.12888	0.5
313.17996	0.4
313.23859	0.4
314.00537	0.2
315.05063	0.6
315.16104	1.4
317.05792	0.7
317.19693	0.5
323.16507	3.5
329.02969	0.2
329.14029	0.3
329.26968	0.4
341.17569	4.1
342.17868	0.3
347.24286	0.3
359.07672	0.3
359.18677	1.4
359.28027	8.7
360.28384	0.5
373.25934	4.0
385.16562	1.1
389.20908	0.3
389.25464	1.9
391.23346	8.7
392.18842	0.4
392.23935	0.5
403.17471	1.0
433.22183	0.8
459.19199	0.2
461.10791	0.3
461.31219	0.7
471.70551	0.2
477.21191	3.2
485.31088	0.5
491.32224	0.8
503.19424	0.4
503.32114	0.8
521.20428	9.7
521.33344	100.0
522.20697	1.1
522.33716	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	521.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23588	0.3
51.41892	0.3
55.01878	4.9
57.03453	3.0
58.00595	0.4
59.01381	9.9
61.98827	5.0
69.03454	0.7
71.01381	8.5
72.98705	0.3
72.99301	0.5
73.02946	3.0
75.00871	3.5
78.38174	0.3
83.01388	1.4
85.02946	5.1
87.00880	1.5
87.04514	0.4
89.02433	3.8
93.03454	0.5
95.01386	0.5
96.95990	0.3
97.02979	0.3
97.06600	0.4
98.19886	0.9
99.00880	1.2
99.04506	0.4
101.02445	5.9
111.00867	0.7
111.08178	0.6
113.02428	2.3
113.06108	0.4
119.03517	0.9
119.05032	0.4
121.03047	0.3
123.08181	0.6
125.02454	5.0
125.09717	2.6
126.02766	0.4
127.11267	1.8
129.01921	1.7
131.03500	0.3
137.09708	2.2
141.09198	0.5
143.10786	0.4
145.02983	0.3
147.03000	4.5
147.04474	1.0
147.18936	0.3
149.04582	0.7
149.06032	0.5
153.09195	0.5
153.12831	0.8
155.10764	1.5
159.03056	0.3
161.02426	0.4
161.04561	1.3
165.04108	0.7
165.12840	0.9
169.12314	0.4
171.10266	9.1
172.10634	0.4
173.04498	0.8
175.03954	0.5
183.13892	2.6
185.11829	0.9
191.05617	0.4
193.05075	0.6
199.13402	0.9
227.12868	3.6
229.14447	1.1
229.17992	0.5
229.47055	0.4
230.15225	0.9
243.16010	1.3
247.15779	0.3
255.02765	0.4
271.02478	0.7
271.19049	0.8
272.02835	0.4
273.03284	0.4
283.02557	0.4
284.02975	0.6
285.20679	0.5
300.02701	1.0
301.03098	0.9
302.03351	1.2
315.05057	0.7
316.05380	0.4
317.05661	0.9
327.21777	1.0
343.24921	1.3
355.24863	2.2
359.27917	1.9
371.24335	1.4
373.25922	100.0
374.26230	6.4
391.23688	0.6
461.10120	1.3
479.21521	0.4
503.32108	0.4
521.12421	2.0
521.29114	51.1
522.29486	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	521.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03450	3.7
58.15597	0.3
59.01376	19.3
61.98828	55.3
69.03468	0.7
71.01379	6.0
71.05042	0.6
71.54628	0.4
72.99342	0.7
73.02939	2.2
75.00872	3.8
75.04845	0.3
83.01400	0.9
83.04995	0.7
85.02948	4.7
85.06590	1.1
87.00881	1.8
87.04511	0.4
88.98764	0.3
89.02444	3.5
93.03461	1.1
93.07090	0.7
95.01400	0.5
97.02991	0.5
97.06585	1.1
99.00871	0.9
99.04484	0.4
99.08126	0.3
101.02439	5.4
109.06596	0.7
111.00891	0.4
111.08188	0.4
113.02448	2.7
113.06126	0.4
114.54538	0.3
119.03542	1.4
119.55979	0.3
121.02916	0.4
123.04568	0.4
123.08150	1.3
125.02492	0.5
125.09709	3.4
129.01958	1.7
137.02431	0.4
139.11252	0.6
141.12912	0.6
143.03500	0.6
145.02939	0.7
147.03000	4.1
147.04248	0.6
149.04607	0.4
149.06044	0.5
153.01889	0.5
157.66080	0.3
160.01691	0.4
161.02438	0.6
161.04541	1.5
165.01941	0.3
165.03989	0.4
165.05537	0.3
166.02699	0.3
171.10219	1.1
173.04533	1.7
179.05518	0.5
181.04962	0.4
183.13835	0.6
185.11830	0.7
186.55287	0.3
191.03506	0.4
191.05463	0.5
193.05022	1.1
199.13361	1.4
201.11359	0.4
215.12840	0.9
221.06491	0.3
222.72415	0.3
223.13422	0.5
229.18117	0.5
241.14278	0.6
243.16016	3.2
255.03003	0.6
283.02478	0.5
284.03134	1.1
299.05576	1.0
325.23779	0.4
327.21756	1.9
343.24832	2.1
354.96161	0.3
355.24768	1.7
359.24045	0.4
359.27997	1.0
371.24500	0.4
373.25916	100.0
374.26248	6.7
389.25412	3.5
408.32239	0.3
415.23297	0.7
428.37405	0.3
433.27863	0.4
441.47202	0.3
461.10757	0.7
503.04175	0.4
521.12793	1.2
521.29315	49.6
522.29657	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	521.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03450	3.7
58.15597	0.3
59.01376	19.3
61.98828	55.3
69.03468	0.7
71.01379	6.0
71.05042	0.6
71.54628	0.4
72.99342	0.7
73.02939	2.2
75.00872	3.8
75.04845	0.3
83.01400	0.9
83.04995	0.7
85.02948	4.7
85.06590	1.1
87.00881	1.8
87.04511	0.4
88.98764	0.3
89.02444	3.5
93.03461	1.1
93.07090	0.7
95.01400	0.5
97.02991	0.5
97.06585	1.1
99.00871	0.9
99.04484	0.4
99.08126	0.3
101.02439	5.4
109.06596	0.7
111.00891	0.4
111.08188	0.4
113.02448	2.7
113.06126	0.4
114.54538	0.3
119.03542	1.4
119.55979	0.3
121.02916	0.4
123.04568	0.4
123.08150	1.3
125.02492	0.5
125.09709	3.4
129.01958	1.7
137.02431	0.4
139.11252	0.6
141.12912	0.6
143.03500	0.6
145.02939	0.7
147.03000	4.1
147.04248	0.6
149.04607	0.4
149.06044	0.5
153.01889	0.5
157.66080	0.3
160.01691	0.4
161.02438	0.6
161.04541	1.5
165.01941	0.3
165.03989	0.4
165.05537	0.3
166.02699	0.3
171.10219	1.1
173.04533	1.7
179.05518	0.5
181.04962	0.4
183.13835	0.6
185.11830	0.7
186.55287	0.3
191.03506	0.4
191.05463	0.5
193.05022	1.1
199.13361	1.4
201.11359	0.4
215.12840	0.9
221.06491	0.3
222.72415	0.3
223.13422	0.5
229.18117	0.5
241.14278	0.6
243.16016	3.2
255.03003	0.6
283.02478	0.5
284.03134	1.1
299.05576	1.0
325.23779	0.4
327.21756	1.9
343.24832	2.1
354.96161	0.3
355.24768	1.7
359.24045	0.4
359.27997	1.0
371.24500	0.4
373.25916	100.0
374.26248	6.7
389.25412	3.5
408.32239	0.3
415.23297	0.7
428.37405	0.3
433.27863	0.4
441.47202	0.3
461.10757	0.7
503.04175	0.4
521.12793	1.2
521.29315	49.6
522.29657	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	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
61.98804	1.2
69.03443	0.5
71.01382	2.2
71.09092	1.0
72.99309	0.7
73.02946	0.8
75.00858	0.7
83.01349	1.0
85.02948	2.0
87.00863	4.1
91.05484	0.4
95.24835	0.4
97.76911	0.4
101.02427	1.3
109.83179	0.5
111.00803	0.7
113.02444	0.9
119.05044	2.2
125.02439	0.9
130.99846	0.6
137.02443	1.2
139.03984	0.6
147.04538	3.3
148.05219	0.6
161.04608	0.6
163.04016	2.5
171.10201	0.6
191.03493	0.8
192.04172	0.9
201.05441	0.7
205.03583	0.6
211.13300	0.7
282.49741	0.4
299.05594	0.5
317.21182	100.0
318.21530	5.6
348.12772	0.6
461.31107	1.4
477.73584	0.6
503.19550	0.8
521.19513	2.2
521.34076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03442	1.8
58.00597	1.7
59.01376	100.0
60.01713	1.4
60.99300	1.4
61.98823	9.5
68.99790	1.1
69.03451	2.7
71.01380	51.6
71.53837	2.3
72.99294	2.6
73.02941	8.3
75.00875	1.5
81.03464	1.4
83.01385	3.9
85.02931	9.5
87.00881	6.3
89.02439	54.3
91.05532	3.1
91.55234	1.0
93.03432	1.8
95.05015	1.7
96.54784	1.1
97.02967	2.7
99.00877	2.2
101.02435	16.6
103.05531	2.5
105.03455	4.8
111.00888	2.2
113.02454	11.4
119.03478	2.8
119.05019	5.1
121.02961	3.4
125.02434	13.3
129.01953	2.5
131.03490	18.9
133.02890	1.2
134.03830	1.1
137.02412	4.5
139.03978	2.5
145.02957	1.8
146.03734	1.5
147.04520	34.0
148.05330	7.2
149.04552	27.4
149.05957	1.5
161.02344	1.3
161.04599	1.4
162.06824	2.4
164.04790	1.1
167.10765	63.9
168.11102	2.1
173.04523	2.3
175.04036	1.0
183.04437	1.1
191.03624	8.3
191.05443	7.8
192.04260	4.0
193.04951	1.6
205.03429	1.6
211.13412	5.3
214.46768	1.1
217.01511	1.2
223.04546	3.2
233.06627	1.9
257.15421	4.6
265.41153	1.1
270.83594	1.0
284.06802	1.9
293.08768	45.4
294.08987	1.0
299.09189	3.3
313.18097	7.2
331.19113	4.0
341.17453	3.1
359.07602	3.6
359.18658	1.6
359.27933	1.5
373.25784	1.7
385.16721	1.3
433.22128	2.2
461.20572	1.2
461.31210	7.3
477.21143	8.8
477.26840	1.3
479.32147	3.6
521.20227	32.1
521.33307	11.5
522.20502	2.1
522.32916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
57.03205	0.6
57.03448	7.4
57.37354	0.5
58.00574	1.0
58.83565	0.5
59.01380	19.1
59.15424	0.6
61.98835	2.8
69.03451	1.4
69.50902	2.9
71.01380	23.8
71.05018	0.7
72.99301	1.8
73.02557	0.7
73.02943	9.6
75.00869	2.0
81.03445	0.7
82.76603	0.5
83.01385	5.6
85.02950	17.3
85.06589	2.1
86.00063	0.8
87.00886	3.8
87.04502	0.8
89.02431	4.7
93.03432	2.0
93.07097	1.0
95.01370	2.2
95.05033	1.4
97.02969	0.7
97.06583	1.6
99.00898	3.8
101.02439	22.7
109.02940	1.9
111.00863	2.8
113.02444	11.1
119.03500	1.4
119.04988	1.9
121.02967	0.9
122.03733	0.6
123.04511	1.1
123.08195	0.7
125.02384	0.8
125.09702	1.1
129.01923	2.2
133.02966	0.8
137.02443	3.6
137.09741	0.9
139.03973	1.5
141.01840	0.7
143.03432	0.9
145.02946	0.7
146.03737	1.9
147.03088	1.0
147.04512	14.8
148.05316	4.2
149.04536	0.5
149.06059	1.0
157.08694	3.5
159.03000	2.4
159.04488	6.8
160.05209	2.1
161.02464	0.8
161.04529	3.8
161.06049	4.0
163.03979	1.2
165.03969	0.9
172.05273	7.4
173.04501	3.2
173.06023	16.2
174.03194	1.6
174.06879	4.6
175.03979	2.0
176.04756	2.0
180.05801	0.9
183.04433	1.5
185.06046	2.4
186.06802	4.3
187.03972	4.6
187.05492	0.6
187.06052	0.7
187.07608	5.2
188.04712	0.6
188.08440	1.3
189.05577	7.6
190.99986	0.6
191.05554	0.7
192.04247	2.1
193.04991	1.0
196.05298	1.3
197.06114	5.7
198.06801	3.2
198.22733	0.5
199.03909	0.7
199.07645	1.7
199.13370	0.9
200.04805	2.7
200.08405	2.7
201.05539	6.4
201.09183	1.5
209.15456	0.6
211.07610	2.2
211.13345	2.1
212.08429	1.6
212.13777	0.6
214.06183	0.6
215.07126	5.9
216.07892	7.6
217.04980	0.9
217.12450	0.6
225.09267	0.7
226.09929	1.2
227.06807	0.6
229.18050	2.6
232.03767	0.5
236.03256	1.1
241.12212	1.2
260.06799	1.4
267.13858	0.6
269.15335	1.9
271.13467	0.8
283.13431	3.5
284.03265	1.8
285.14929	3.7
295.17020	1.4
297.14954	27.5
297.18243	1.5
298.15277	1.6
299.02405	0.6
299.05560	2.1
299.08755	0.5
299.12741	0.6
300.13525	1.5
301.14368	1.7
303.15955	1.1
305.15561	1.2
311.12946	4.7
312.13538	0.7
313.14435	0.6
313.17847	2.6
313.23758	1.5
314.00687	4.2
315.15967	8.8
317.19748	1.5
318.14862	0.8
323.16479	25.7
324.16779	1.6
325.14404	1.7
327.21661	0.8
328.02240	1.1
329.03030	6.8
329.13824	2.1
341.17538	35.0
342.17841	2.1
343.04449	0.6
344.05325	3.6
347.24368	1.1
355.24756	0.9
359.07706	8.9
359.14371	1.0
359.18597	13.3
359.27966	12.6
360.18756	0.9
367.15326	1.3
371.24341	0.6
373.25928	37.6
374.26135	1.3
375.16797	0.7
385.16568	9.6
389.20190	1.2
389.25330	7.7
391.23239	2.9
392.18362	2.0
403.17554	6.6
404.17526	0.7
415.21033	1.0
433.22250	6.8
459.20245	2.0
477.21283	23.5
478.21579	2.2
482.99115	0.6
503.19244	2.3
503.32242	0.9
521.20673	68.1
521.33630	100.0
522.20746	7.0
522.33997	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	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88829	1.0
55.01868	4.7
57.03434	3.0
59.01374	48.0
60.01715	1.4
61.98824	90.4
65.03956	1.9
69.03446	1.5
69.30167	10.4
71.01376	10.1
72.99300	1.7
73.02939	6.5
75.00854	3.7
81.03429	1.3
83.01395	2.1
85.02953	6.1
87.00859	3.5
88.98774	1.3
89.02440	5.9
89.32813	1.2
91.01855	3.1
93.03464	1.6
93.07103	1.6
95.01364	2.1
101.02444	8.1
108.02161	43.5
109.02951	18.4
111.00918	1.6
113.02457	6.6
113.09715	1.5
119.03472	3.0
121.02948	25.6
123.04537	1.9
125.02457	1.6
128.03552	2.0
135.00888	3.7
147.02989	3.2
147.04523	1.1
149.04507	1.6
152.01135	100.0
153.01933	26.1
156.87270	1.1
161.04567	3.5
161.05965	1.3
163.04001	2.8
166.02704	11.6
173.04561	2.1
175.03963	1.4
181.05048	13.3
243.15997	8.2
272.09061	1.4
283.02426	1.6
284.03293	4.5
285.06076	1.6
299.05606	8.3
314.63458	1.1
343.24802	9.2
347.24112	1.3
369.83026	1.2
373.25900	85.4
374.26199	3.1
385.11127	6.4
389.25403	4.4
399.09262	35.4
521.12958	82.5
521.29224	49.4
522.13428	6.6
522.29791	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	521.1301
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01873	4.2
57.03448	3.3
59.01378	12.4
61.16359	0.5
61.98830	13.0
69.03446	0.6
69.51004	3.1
71.01379	13.5
72.99302	0.9
73.02946	5.1
73.45517	0.4
75.00871	2.7
78.34819	0.4
83.01396	3.0
85.02950	8.3
85.06578	0.9
86.03240	0.5
87.00878	2.2
88.98760	0.6
89.02438	2.2
91.86267	0.4
93.07105	1.8
95.01392	1.5
96.71577	0.5
97.06576	0.8
98.19904	0.9
98.69197	0.5
99.00870	2.4
101.02440	12.0
108.90485	0.5
109.02936	1.2
109.31007	0.5
111.00887	1.0
113.02449	5.3
116.73869	0.4
119.03520	0.9
123.08214	0.8
125.02405	0.5
125.09703	1.5
129.01952	1.8
137.02420	0.6
137.88474	0.5
139.60420	0.4
142.98941	0.5
143.03520	0.6
147.02959	2.8
148.01685	0.5
157.08667	0.8
159.02946	1.3
161.02397	0.7
161.04579	3.8
161.05812	0.8
163.04057	0.5
171.10300	1.0
173.04549	1.3
173.06151	0.5
174.03262	0.6
176.98340	1.1
183.13892	0.8
186.03241	2.1
193.01433	1.6
199.13426	0.9
201.01926	5.1
201.05704	0.5
202.02626	0.6
214.02707	1.8
229.01399	1.2
229.18057	4.0
230.02251	2.9
232.84065	0.5
242.02216	2.3
243.15990	4.2
257.00964	1.5
258.01660	1.1
270.01611	0.6
284.03433	0.5
285.03912	0.7
286.01132	8.5
299.25909	0.5
301.03168	1.0
313.23828	0.8
314.00662	50.9
315.01126	3.3
327.21640	0.8
329.02997	71.8
330.03342	3.9
343.24838	3.9
344.05328	34.1
345.05695	1.7
347.24356	1.1
355.24844	1.5
359.07687	100.0
359.28244	2.6
360.08011	4.6
371.24347	0.5
373.25925	59.6
374.26312	3.2
389.25360	2.6
391.23471	2.1
521.32910	35.8
522.30750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43568	0.3
55.22959	0.3
61.98816	0.9
62.06271	0.3
70.75880	0.5
70.76279	0.6
75.64137	0.3
78.95901	45.3
80.96514	0.4
85.47523	0.3
88.98823	0.4
96.96013	0.4
96.96964	5.7
105.56591	0.3
128.98418	0.3
150.97995	1.4
152.99577	100.0
153.99895	1.0
171.00623	3.8
266.23370	0.3
279.23181	1.0
315.31866	0.3
331.78012	0.3
433.23569	28.9
434.23987	1.8
520.26813	8.3
521.26910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57881	0.5
61.98826	100.0
69.10613	0.6
70.32689	1.4
70.33077	1.0
78.33106	0.5
96.95997	0.8
105.62363	0.5
107.85121	0.6
135.12805	0.6
145.61682	0.6
337.59229	0.5
514.04602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06915	0.2
55.01872	2.6
56.99840	0.3
59.01381	3.4
61.98830	5.7
64.01849	0.2
68.99789	0.3
69.03456	0.5
69.39252	0.8
69.39688	0.9
71.01368	1.9
72.99286	1.1
73.02952	0.4
75.00869	40.4
83.01362	0.3
85.02954	1.5
87.00880	1.0
89.02447	1.5
93.03468	0.5
95.82308	0.2
96.96013	1.0
97.02937	1.6
99.00925	0.3
101.02451	0.7
103.00378	0.6
113.02415	0.3
114.08247	0.2
117.01924	0.8
123.04529	0.2
125.02440	11.6
129.01944	8.6
147.02994	3.1
151.00433	0.3
161.23769	0.2
162.22856	0.2
164.25179	0.2
165.04031	100.0
166.02734	0.7
166.04382	1.7
172.43694	0.2
173.04510	0.3
181.05066	0.9
191.05591	0.4
202.18867	0.2
203.05656	0.2
209.03011	0.3
233.02927	0.3
243.06609	0.3
271.06216	0.3
295.90085	0.2
313.07059	0.4
329.08820	0.9
383.85492	0.2
444.89084	0.3
461.16129	0.3
470.93985	0.2
508.72736	0.2
521.11603	1.1
521.19128	0.4
522.11603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71297	2.5
56.28691	2.2
59.01375	42.7
65.00321	3.2
69.29596	22.4
69.29939	3.5
71.01368	25.1
85.02956	5.8
89.02442	32.1
92.23367	2.4
93.79545	2.7
101.02441	12.5
113.02454	12.7
119.03503	14.1
136.98796	5.3
143.03523	2.8
161.04619	3.1
179.05576	7.2
181.15161	2.4
190.06497	2.8
190.99927	2.5
200.04744	5.6
227.03438	5.2
228.04173	2.7
240.04236	8.8
255.02995	34.0
278.36041	2.8
283.02469	96.3
284.03217	65.8
285.03778	6.0
298.04874	22.6
299.05573	75.9
300.05978	3.6
311.12756	3.9
341.13797	11.5
351.63959	2.4
356.92719	2.9
374.67297	2.5
461.10840	100.0
462.11310	5.8
521.20874	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
58.86725	0.4
59.01377	19.8
61.98827	100.0
62.98539	0.3
69.41306	2.2
69.41718	0.8
70.76102	0.4
71.01378	5.6
73.02940	6.9
83.01385	2.2
85.02966	1.4
86.03296	0.4
87.00905	0.5
89.02448	2.2
95.01391	0.8
101.02438	8.4
113.02443	3.5
119.03516	1.0
125.02419	0.6
131.03558	0.8
143.03523	0.8
147.04536	0.4
149.04559	2.0
157.10214	0.4
159.70531	0.4
161.04561	2.5
165.05563	0.5
186.14545	0.3
191.01967	0.4
221.06683	0.8
228.07451	0.4
296.51978	0.3
301.03067	0.4
315.05194	0.5
372.24899	1.0
373.25967	1.2
519.31952	1.1
520.25073	0.9
520.32098	3.0
521.21027	1.1
521.33679	0.8
535.51807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98825	0.7
69.84399	1.6
78.95901	51.0
85.30617	0.3
93.51445	0.3
93.67342	0.3
96.96949	6.2
98.20673	0.3
150.98003	1.7
152.99585	100.0
153.99934	1.0
170.99297	0.3
171.00658	4.3
236.64763	0.3
308.27402	0.4
346.06161	0.3
365.26868	0.9
450.78903	0.4
466.30139	0.3
519.27203	18.3
520.27484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08630	0.3
55.01865	0.5
57.03447	0.3
58.45434	0.3
59.01376	23.1
60.01677	0.4
61.98825	100.0
68.13243	0.3
69.47485	1.5
69.47910	1.0
71.01371	2.9
73.02943	2.0
79.97502	0.3
83.01390	0.7
85.02960	1.2
87.00838	0.5
89.02446	1.5
101.02435	3.3
108.02164	8.6
109.02955	2.4
113.02470	1.2
114.17446	0.3
119.03532	0.8
121.02953	4.7
128.03555	0.6
129.82303	0.3
131.01811	0.3
143.03497	0.3
143.04625	0.7
147.03062	0.4
149.04599	0.7
152.01138	17.8
153.01952	1.5
161.04591	1.3
163.03986	0.5
166.02730	0.7
181.05006	0.9
200.83266	0.4
207.57253	0.4
243.16035	0.6
254.07957	0.4
284.03442	1.4
299.05737	1.1
342.10800	0.6
343.25140	0.7
371.20856	0.7
373.25742	3.8
393.13477	0.3
399.09286	6.5
402.62262	0.3
413.21912	0.9
520.23206	1.0
521.12946	16.2
521.29395	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.09978	0.8
56.67379	0.6
57.03446	12.9
59.01376	18.6
61.51726	0.7
61.98809	2.1
68.99819	1.0
69.54331	5.1
71.01379	10.4
72.99316	2.0
73.02937	1.7
75.00873	3.0
80.91521	0.6
83.01399	1.7
84.02147	2.4
84.04343	0.7
85.02946	100.0
85.61176	0.7
86.03288	1.0
87.00880	6.2
89.02443	8.5
93.03451	3.2
96.95982	1.0
98.20587	1.6
99.00882	4.7
101.02444	3.1
103.00376	1.5
111.00869	0.9
111.40397	0.7
113.02416	1.0
115.00401	1.4
119.03464	0.8
119.05005	5.5
121.02938	1.7
123.04516	0.9
123.14104	0.7
129.01932	8.0
131.03503	1.5
133.01424	1.8
134.03767	0.7
143.05013	2.6
144.73154	0.8
147.02995	17.3
154.40027	0.7
163.04010	3.5
173.04532	0.9
182.02209	1.1
191.01961	45.0
191.05533	3.6
193.05084	1.0
209.01009	1.7
209.03017	34.7
211.07611	0.9
223.07513	1.3
237.09206	3.1
239.10509	0.8
241.08655	1.1
265.08765	2.2
283.09732	3.0
309.07660	1.1
324.43625	0.8
327.08694	20.2
340.94815	0.7
519.12561	2.2
519.20880	27.5
520.21368	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03440	10.6
59.01371	32.4
61.98811	2.1
65.00954	0.9
68.56393	0.8
68.56784	1.0
68.99815	0.9
69.63860	4.0
69.64270	1.4
71.01374	24.3
72.99307	3.6
73.02930	4.9
75.00867	3.3
82.77733	0.8
83.01371	1.4
84.02158	2.6
85.02943	100.0
86.03249	1.6
87.00867	18.4
87.01379	1.1
89.02441	18.0
93.03456	10.4
95.38528	0.9
96.96017	1.4
96.99310	1.5
99.00866	12.5
101.02437	7.7
103.00365	1.5
104.62700	0.8
111.00837	1.1
112.23387	0.8
113.02419	2.1
115.00368	1.7
117.03439	0.9
119.05028	9.5
123.04535	1.6
125.02413	1.4
129.01956	8.6
130.99911	1.0
131.03462	1.3
131.05002	2.6
133.01404	4.5
133.02956	1.8
143.05017	9.4
145.02910	1.2
147.02975	9.0
149.04515	2.6
159.04662	1.1
161.04498	1.2
163.03981	5.8
163.11299	2.6
165.05600	1.2
171.04515	2.1
173.04529	2.3
191.01962	50.8
191.05615	6.4
193.05049	1.6
195.08139	1.1
207.10350	1.3
209.03004	68.2
210.03477	1.0
211.07603	3.6
219.08282	1.0
221.09718	0.9
223.07613	3.3
232.00148	1.3
235.07590	1.1
237.05653	1.0
237.09204	2.2
249.05580	1.0
264.98001	0.9
265.08679	12.2
267.06790	1.3
283.05988	1.0
285.07382	1.1
293.04578	1.7
309.07715	3.6
311.05630	1.5
327.08710	58.7
328.09183	3.8
337.07294	1.1
343.08115	2.7
359.19855	0.8
387.64838	0.8
399.07016	3.3
431.09824	1.8
443.06198	1.5
481.23401	1.0
519.20856	73.2
520.20917	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93466	0.8
59.01374	12.8
61.19292	0.7
67.01871	0.8
68.79571	0.7
71.01375	2.0
73.02937	1.4
85.02932	2.3
87.00887	2.0
88.98821	0.9
89.02458	1.0
91.05494	6.1
92.84362	0.8
93.03449	1.3
93.44932	0.7
95.46398	0.8
101.02422	1.7
108.02177	2.2
109.02943	20.5
110.03280	0.8
111.60061	0.8
113.02495	0.9
121.02964	11.1
123.04501	3.3
130.50157	0.8
133.02936	1.4
134.03740	5.5
135.04514	62.3
136.04861	1.8
145.02969	0.9
145.57681	0.9
146.03734	1.0
147.03246	0.9
147.04501	5.1
147.73376	0.9
149.06047	15.4
186.06876	1.0
186.79523	0.8
197.06013	1.5
201.09286	0.8
205.01392	1.1
212.08240	1.1
215.07048	0.9
222.79767	0.8
229.08691	1.3
229.42299	0.9
241.04903	1.2
253.08630	1.3
256.07318	1.5
271.09717	100.0
272.10049	4.1
357.26379	1.0
475.15442	3.6
497.21219	1.2
519.18207	1.0
519.32104	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	519.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03445	0.4
58.00592	0.5
59.01378	30.3
65.85793	0.3
69.42802	2.1
71.01381	14.4
72.99339	0.8
73.02940	7.0
81.03463	0.3
83.01400	0.3
85.02960	2.3
87.00871	0.7
89.02442	20.9
95.01413	0.5
97.02924	0.6
99.00878	17.4
101.02441	7.8
103.32587	0.3
103.64262	0.4
113.02465	2.7
119.03527	1.5
125.02422	1.0
131.03502	2.8
134.80748	0.3
143.25032	0.4
149.04541	3.1
161.04500	1.0
163.11311	2.8
173.04456	0.4
191.05597	4.5
207.10237	2.3
209.02966	0.7
225.11290	0.4
229.82100	0.4
244.85768	0.4
345.15421	0.5
387.16510	1.4
500.67535	0.4
519.20801	100.0
520.21112	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	519.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63525	0.7
55.01864	2.2
57.03446	12.3
59.01373	9.3
60.89613	0.6
64.26392	0.6
65.89630	0.6
69.69559	0.6
70.99947	1.7
71.01384	7.0
71.62514	0.6
72.99298	1.3
73.89785	0.7
75.00866	1.6
79.63020	0.7
83.01390	1.8
84.02150	2.4
85.02948	100.0
86.03307	1.5
87.00880	7.7
89.02435	2.7
93.03454	3.2
96.95995	1.5
103.00379	2.3
107.49713	0.8
111.00899	1.1
115.00343	1.2
119.05010	5.6
120.04873	0.8
121.02959	1.2
129.01941	8.3
133.01431	3.4
143.05045	3.6
147.02995	16.8
163.03978	3.6
185.31493	0.7
191.01971	40.9
192.02301	0.8
209.03021	43.6
210.03444	0.9
211.07634	1.9
223.07614	2.7
237.09261	1.6
249.05580	0.8
265.08615	4.7
267.06805	0.9
283.09656	2.1
309.07715	1.2
311.05493	1.3
327.04913	1.0
327.08688	18.8
328.08878	1.0
337.06900	0.8
355.08188	1.0
399.07004	0.8
420.77673	0.8
431.09818	1.6
443.06281	1.2
487.05276	2.3
519.11414	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65849	0.8
55.01881	1.3
57.03432	2.1
59.01379	29.5
60.82374	0.9
61.98822	2.7
71.01378	19.1
71.54254	1.3
72.99302	0.9
73.02950	6.6
74.65599	0.8
75.00848	2.5
78.95871	0.9
83.01387	3.4
85.02952	13.7
87.00879	3.9
89.02446	7.0
93.03458	22.7
95.01357	1.2
96.95992	0.9
99.00864	3.4
99.04525	0.9
101.02444	13.5
108.02166	2.3
109.02938	1.8
111.04510	1.2
113.02460	8.6
119.03486	1.7
119.05016	3.8
121.02971	2.2
121.06589	1.9
122.03766	0.8
123.04517	1.6
125.02438	2.4
129.01939	1.1
130.04208	1.1
131.05002	1.9
134.03734	1.0
137.02443	41.4
143.03496	1.1
147.04535	18.4
148.05324	5.1
149.06075	100.0
150.06384	1.6
155.03505	0.9
161.02522	1.1
161.04536	2.3
163.04002	1.2
165.04033	1.5
173.04593	4.8
175.03999	13.6
179.03612	1.1
184.05144	0.9
189.34561	0.8
191.01923	1.3
191.03723	1.7
191.05594	16.6
192.05974	0.9
193.05043	61.6
194.05334	1.1
197.09767	1.7
209.02974	1.5
215.03450	1.3
219.02971	74.4
220.03278	2.9
223.07565	1.2
227.03419	1.8
237.05533	0.9
241.08720	1.5
243.02924	1.2
255.02895	1.8
271.02396	1.9
271.06183	1.2
271.18964	1.0
281.03592	1.9
281.06668	40.0
284.03229	1.7
296.03262	1.0
299.01895	5.2
299.05377	1.6
300.02682	2.8
301.10727	2.5
313.07193	2.3
314.04144	3.2
315.05142	7.0
342.01639	0.9
345.22867	4.8
387.20258	3.5
415.23282	2.5
431.09583	1.5
433.24420	1.6
437.61044	2.3
475.12509	5.9
501.10403	11.0
519.11359	40.6
519.23700	10.1
519.32092	1.3
520.11798	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	519.1141
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.29704	0.2
59.01377	11.2
61.98826	1.4
64.24078	0.2
65.00323	0.3
69.24109	1.5
71.01371	1.0
72.44508	0.2
73.02951	0.4
85.02953	0.8
87.00883	0.2
87.04510	0.3
87.98962	0.2
89.02458	0.2
95.01410	0.2
96.96013	0.8
96.96958	0.5
101.02437	0.5
101.75349	0.2
107.01373	0.6
108.02162	0.6
110.05705	0.2
113.02451	0.5
121.47836	0.2
121.77313	0.2
135.00883	0.4
148.01660	0.9
151.00375	2.2
152.01167	0.2
154.96585	0.2
160.01620	0.2
161.04515	0.4
163.00360	0.4
164.01161	0.4
165.01862	0.2
175.04012	0.5
178.99834	0.3
183.04472	0.5
185.02603	0.2
187.03963	0.4
199.03954	1.5
201.02022	0.3
214.27274	0.2
215.03419	0.4
216.04250	0.4
226.02679	0.9
227.03456	1.9
228.03918	0.3
242.02208	0.3
243.02966	7.2
244.03575	0.4
254.02225	1.6
255.02979	18.8
256.03299	1.1
270.01675	0.3
271.02463	40.9
272.03009	3.3
284.03244	0.3
298.99066	0.1
299.01950	8.4
300.02725	100.0
301.03131	5.7
307.11874	0.2
314.04221	0.5
315.05087	94.8
316.05438	5.2
316.31476	0.2
321.14899	0.4
339.16086	0.5
350.31525	0.2
371.24478	0.5
399.23862	1.2
417.24725	0.2
444.06494	0.2
459.09219	1.2
459.25870	0.4
477.10376	0.7
504.09140	1.2
519.11407	29.1
519.24164	1.1
519.31702	0.9
520.11719	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	519.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.2
59.01375	15.5
61.98820	8.1
69.68801	6.0
69.69196	3.7
71.01377	14.3
75.00865	22.4
85.02455	4.7
85.02946	61.2
86.03262	2.4
87.00871	59.3
89.02446	7.7
93.03452	7.9
95.05041	2.5
96.95979	2.6
99.00865	4.4
101.02434	3.5
104.94559	2.5
119.03463	2.4
119.05022	4.2
123.04527	3.0
129.01962	4.0
130.99854	3.9
131.05014	2.7
133.01422	3.6
143.05013	2.6
147.02998	5.6
149.04506	4.0
159.04488	2.9
163.03943	6.9
173.04561	2.9
180.05772	9.2
181.06639	5.4
183.08124	2.9
187.03969	2.3
191.01979	23.8
191.05553	8.6
193.06525	5.4
194.07330	7.2
195.04454	2.6
195.08189	18.2
196.05267	3.5
197.06148	3.5
199.03886	2.9
208.05252	12.3
209.03026	60.5
209.06007	3.2
211.03973	2.9
211.07721	10.9
221.06136	11.0
221.09694	6.7
222.06799	19.4
223.04073	4.1
223.07629	82.7
224.04799	6.3
224.07912	3.6
225.05502	6.3
226.06244	2.5
233.06143	2.8
234.06923	2.3
237.05362	3.9
237.09142	4.4
239.07109	26.0
240.07916	4.8
241.08688	6.4
247.07645	5.9
248.04854	2.1
248.08337	3.9
249.05528	14.0
249.09135	18.8
250.06277	3.9
251.07028	3.5
255.10239	2.7
257.06079	3.5
265.05676	2.4
265.08588	14.7
267.06580	32.2
275.07074	4.8
277.05206	3.0
281.08185	6.3
283.09717	8.3
291.06543	3.5
293.04501	19.6
293.08109	18.1
296.28912	2.4
299.06183	3.4
299.09195	15.3
309.07620	19.1
310.08395	2.9
311.05481	4.4
311.09070	3.4
319.06351	3.7
327.08704	14.2
337.07159	24.2
339.05093	10.4
341.10132	5.1
355.08334	5.3
369.09836	4.5
371.07635	12.1
399.07181	100.0
400.07635	5.2
415.06821	3.4
425.04996	6.0
431.09778	83.2
432.10254	6.7
443.06161	17.6
469.03940	8.6
475.08707	32.5
501.06604	5.9
519.20392	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	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20062	0.4
52.26195	0.4
55.01860	0.9
57.03436	0.8
59.01377	12.5
59.88297	0.4
61.98834	3.5
69.18104	3.3
69.18520	0.7
71.01381	4.0
72.99296	0.4
73.02936	2.0
83.01372	1.2
85.02940	2.1
86.00074	0.4
87.00865	1.2
89.02433	0.8
93.03442	0.9
95.01382	0.8
96.96021	3.3
97.06599	0.5
99.00858	1.0
100.56136	0.4
101.02452	3.2
107.01360	0.9
108.02146	0.9
109.02982	0.4
110.83405	0.4
111.00839	0.6
113.02429	1.8
119.05053	0.6
121.02938	0.7
127.06835	0.4
135.02994	0.4
145.02914	1.2
147.04539	0.4
148.01660	0.5
151.00356	3.5
155.05148	0.5
159.04457	0.4
161.02402	0.5
161.04546	0.9
165.60423	0.4
173.04533	0.9
175.03894	0.5
178.99849	0.4
183.04556	1.3
185.11742	0.5
187.03833	0.6
197.11893	0.5
199.04019	2.1
211.04033	0.8
214.02713	0.8
215.03448	0.7
227.03490	3.8
239.03479	1.2
241.01535	0.5
242.02173	1.7
243.02960	9.5
244.03554	0.6
254.02174	1.3
254.05814	0.6
255.02966	18.5
256.03384	0.8
269.04510	0.6
270.01666	1.5
271.02457	43.1
272.02991	4.1
282.05411	3.6
283.02505	0.5
284.03244	1.7
285.03784	0.7
297.04352	0.8
297.07632	5.9
298.01132	1.3
299.01959	25.0
300.02728	100.0
301.03189	6.0
311.05615	0.7
313.03534	1.6
314.04269	3.9
315.05093	74.0
316.05429	3.7
326.00681	1.4
327.01401	0.5
357.06082	1.2
357.26263	0.6
371.20435	0.8
371.24490	5.1
387.23743	0.5
389.21933	0.6
444.06876	3.7
459.09320	40.2
460.09656	3.4
477.10431	5.0
504.09412	2.1
519.11462	47.0
519.32666	6.7
520.11804	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	518.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30156	0.2
59.01369	0.5
61.98825	1.2
62.36786	0.2
62.96420	0.3
70.67979	0.9
78.95899	46.7
87.16123	0.3
96.96957	6.7
126.32249	0.3
150.98030	1.7
151.66740	0.3
152.99573	100.0
153.99904	0.7
171.00641	4.0
216.63638	0.2
244.54463	0.3
246.26900	0.3
253.87390	0.3
262.08481	0.5
277.21808	0.9
431.21964	25.7
432.22348	1.8
518.25073	5.7
519.26678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77197	0.2
59.01371	0.3
61.98827	100.0
71.08537	0.4
87.00865	1.1
92.56831	0.2
110.86873	0.2
130.99904	0.2
134.95155	0.2
143.90118	0.2
152.01378	0.2
198.97791	0.2
371.44141	0.2
393.72610	0.2
433.16977	0.2
519.22217	0.4
519.34723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.70490	0.6
69.93184	1.3
69.93572	1.2
80.33839	0.6
96.95984	0.6
108.80970	0.6
166.49773	0.6
171.13254	0.6
191.44789	0.7
258.00885	0.6
327.14191	0.6
339.33539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56834	0.8
55.91750	0.9
61.98829	100.0
62.35159	0.9
70.19453	3.6
72.79982	0.9
96.96008	0.9
98.19901	1.1
106.18774	1.0
127.75770	1.1
130.43938	1.0
218.95924	1.0
220.87675	1.0
222.84496	1.0
467.63052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50122	0.4
54.08857	0.3
54.49137	0.3
55.01867	0.7
57.03446	1.2
59.01379	100.0
60.01710	1.0
61.98825	3.4
63.86707	0.3
67.01909	0.5
69.03446	0.9
71.01380	12.7
71.54381	0.5
72.99314	0.8
73.02946	4.8
75.00871	2.0
81.03484	0.6
81.98582	0.3
83.01382	2.3
83.05016	0.7
85.02946	6.4
87.00873	3.7
89.02443	6.1
89.02935	0.4
93.03459	2.4
95.01370	2.1
97.02972	0.8
97.06599	0.5
99.00873	2.5
101.02441	8.6
103.00452	0.4
111.00906	0.8
111.04575	0.8
113.02444	11.4
116.92854	0.8
119.03515	2.2
119.05050	1.3
123.04539	1.3
125.02435	2.8
125.09714	0.6
127.00380	0.4
129.01927	0.6
131.03516	0.7
132.02177	0.4
134.03833	0.5
137.02493	0.6
143.03545	1.6
145.02966	0.8
147.04602	0.4
149.04570	1.3
149.06078	0.6
151.00459	0.5
155.03552	0.5
158.03793	0.4
159.03241	0.4
159.04543	1.0
160.01682	1.1
160.03973	0.5
161.02461	0.6
161.04567	4.6
163.04102	0.5
165.05597	0.4
173.04562	2.6
175.04050	1.4
179.05719	0.9
183.97354	0.4
184.09540	0.4
191.05627	0.8
193.05139	1.0
221.06531	0.4
226.06454	0.7
227.03580	1.3
229.03519	0.8
241.08791	1.2
249.06085	1.8
253.18144	0.9
255.02802	1.9
255.05211	0.9
256.03546	0.6
265.08810	1.6
267.07193	6.7
267.09882	0.5
269.04547	0.5
283.02377	0.4
284.03250	5.1
284.06116	0.5
285.03806	0.6
286.08734	0.4
299.05576	3.6
300.02737	0.6
300.06113	0.5
307.06210	1.0
337.10809	1.2
343.21417	0.5
355.06839	1.5
369.23163	0.6
397.22278	4.0
415.23431	3.1
416.23740	0.5
457.24457	6.4
473.24255	0.6
495.14520	2.3
495.64310	1.2
517.07886	0.8
517.19141	10.7
518.19940	0.7
522.11719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
61.98827	100.0
71.01376	0.9
78.63346	0.3
83.97928	0.2
85.02932	0.3
87.00879	0.9
101.02443	0.4
108.02101	0.3
108.26472	0.3
128.03511	0.3
148.05342	0.4
187.07602	0.4
213.66620	0.4
215.07130	0.6
254.05927	1.0
255.06160	1.7
269.08133	1.8
270.08575	2.9
500.19186	0.5
519.32196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70620	0.4
53.26923	0.4
57.03449	0.5
58.82838	0.4
59.01377	40.3
60.01714	0.6
61.98828	100.0
69.54847	1.7
69.55255	0.7
71.01378	9.7
71.04976	0.4
72.99319	0.8
73.02946	12.3
83.01382	4.0
85.02957	3.0
87.00894	1.3
89.02436	2.6
92.08340	0.4
93.03489	1.1
95.01380	0.7
96.96006	0.4
97.02960	0.5
99.00869	0.9
101.02439	12.2
106.21564	0.4
111.00918	0.5
111.74733	0.4
113.02439	5.2
118.70386	0.4
119.03517	1.2
125.02459	0.7
131.03496	1.0
135.04532	1.6
136.04878	0.6
143.03525	1.4
145.03003	0.4
149.04604	2.1
149.05969	0.4
151.00412	0.5
154.11292	0.4
155.03529	0.6
161.04539	5.2
173.04553	1.4
174.04884	0.5
175.03983	0.5
179.03494	1.9
180.03851	0.7
189.12897	0.8
191.05582	0.5
193.05101	0.8
196.05278	0.5
203.05684	0.8
209.09355	0.5
214.90179	0.4
221.06650	1.1
227.03401	0.5
243.02907	2.3
255.02933	5.4
255.05342	0.5
271.02448	12.1
284.03381	1.4
299.02023	2.0
299.05530	0.7
300.02744	26.2
315.05090	29.7
339.16101	1.1
371.24564	1.1
399.23859	2.1
413.19821	0.6
459.25885	0.4
518.23297	0.5
519.11499	1.0
519.24847	1.0
519.32147	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	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57829	0.7
57.03444	3.3
59.01379	41.0
61.98843	1.6
68.48820	0.7
68.99784	0.9
69.03454	1.6
70.00524	3.2
71.01378	20.2
72.99303	3.0
73.02937	2.8
75.00874	12.2
83.01377	1.5
83.05015	1.1
84.53459	0.7
85.02949	18.8
87.00876	8.5
87.98465	0.8
89.02453	6.8
93.03468	1.6
95.01365	4.0
99.00880	7.3
101.02432	3.2
103.00376	2.0
105.07118	0.8
111.00875	1.3
111.04577	0.7
111.07194	0.8
113.02446	30.3
117.01930	2.0
124.22331	0.8
129.01910	1.7
131.03459	0.9
133.13240	0.7
140.41769	0.7
158.03773	1.0
160.01711	1.0
161.09738	2.6
161.13405	1.7
173.04491	1.4
175.02466	3.2
175.03905	1.0
181.81256	0.7
187.11189	2.3
189.09190	1.2
191.05565	0.8
194.40623	0.7
205.12325	2.5
207.05035	1.9
207.10280	1.2
211.07678	4.5
223.07907	1.0
227.03476	0.9
231.05232	0.9
249.06142	12.1
255.03018	1.8
265.08698	2.0
267.07205	49.3
268.07556	2.0
269.13995	1.5
284.03336	3.5
285.03806	0.9
341.15945	1.4
362.09543	0.9
452.27606	0.8
457.17178	2.5
499.18341	2.4
517.19232	100.0
518.19434	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01977	0.3
54.59554	0.3
57.03441	0.3
59.01378	100.0
60.01726	0.4
61.98829	2.4
66.46792	0.3
66.91949	0.3
71.01374	3.6
73.02948	3.1
83.01400	1.1
85.02952	1.6
87.00885	1.1
89.02448	1.1
93.03470	0.8
96.96027	0.4
98.19863	0.5
99.00915	0.5
101.02437	3.5
102.92960	0.3
113.02458	2.2
117.33051	0.3
119.03522	0.6
119.05048	0.4
131.03523	0.8
134.03845	0.3
135.04514	0.4
137.02477	0.6
138.78653	0.3
143.03500	0.4
145.02985	0.6
149.04648	0.4
149.06140	0.6
155.03568	0.3
161.04564	1.6
162.05083	0.3
171.10260	0.4
173.04611	1.2
175.04070	0.5
193.05119	0.4
221.08310	0.4
221.35164	0.3
237.18723	0.4
269.17752	0.5
284.03421	0.9
285.03952	0.4
343.24985	0.6
369.22910	0.4
395.42883	0.3
397.22195	0.5
457.24606	0.7
517.18402	0.4
517.31097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14165	0.7
57.03439	2.7
59.01379	36.4
61.87344	0.5
61.98804	1.1
65.04279	0.5
67.01883	0.9
68.99821	0.9
69.46348	3.9
71.01379	19.5
71.05016	0.7
71.18118	0.5
72.99287	3.2
73.02941	2.6
75.00867	10.3
83.01378	2.1
83.05035	1.1
85.02950	18.2
85.03467	0.9
87.00871	8.2
89.02435	6.0
91.04010	0.8
93.03448	2.1
94.40406	0.5
95.01368	5.0
96.96016	0.6
97.02964	0.8
98.19875	0.7
99.00880	6.4
101.02436	2.2
103.00370	2.0
107.05038	1.1
111.00854	1.2
113.02445	27.5
115.00341	1.2
117.01914	1.5
129.01926	1.8
131.48567	0.5
135.11781	0.6
143.05013	0.6
149.04591	0.7
157.01352	0.8
159.04437	1.6
160.01672	0.8
161.04535	0.8
161.09714	1.4
161.13322	1.4
163.11276	0.7
173.04518	1.0
175.02499	2.3
175.03935	1.0
187.11218	1.8
191.05696	0.6
205.12311	1.6
207.04956	0.8
207.10251	0.8
210.06830	0.8
211.07643	3.4
223.13358	0.8
227.03439	1.9
231.05109	0.6
249.06142	12.0
249.11275	0.7
249.39476	0.6
255.02907	2.8
265.08749	1.9
267.07190	51.5
268.07571	1.6
269.13962	1.2
284.03326	3.3
285.03448	0.7
296.87494	0.6
341.15988	1.9
455.19305	1.1
457.17072	2.6
457.22977	0.6
499.18216	2.4
517.19226	100.0
518.19611	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03448	3.9
59.01379	57.2
61.98818	1.5
63.06354	0.5
68.99813	0.9
69.03463	1.5
71.01379	19.3
72.99310	3.4
73.02941	2.8
75.00870	11.7
76.15773	0.6
83.01384	2.1
83.05000	0.7
85.02946	22.5
86.03276	0.7
87.00867	9.2
89.02441	7.2
92.55970	0.6
93.03465	3.6
95.01388	4.7
99.00877	7.8
99.04510	0.8
101.02425	3.6
103.00376	2.1
107.05066	0.8
109.02932	1.0
111.00893	1.0
111.04494	0.7
113.02450	30.0
115.00335	1.8
117.01938	1.7
117.03449	1.4
119.03472	0.9
119.05011	2.7
125.02406	0.8
125.06046	0.8
129.01924	1.9
130.04097	0.6
131.03558	1.0
135.11816	0.7
137.02531	0.8
145.02942	3.3
148.38564	0.7
149.04573	1.0
149.06007	1.0
155.03552	0.9
156.83290	0.6
157.01472	1.0
159.04527	1.2
161.04526	1.0
161.09727	1.6
161.13365	1.5
163.04012	1.4
163.11235	0.8
173.04561	3.3
175.02457	2.1
179.10756	0.8
187.11296	1.9
191.02020	0.9
191.05566	1.4
205.07289	1.1
205.12303	1.5
207.04990	1.5
207.10287	1.2
209.02975	1.8
211.07635	2.2
223.13408	1.3
227.03481	1.4
231.05077	0.9
249.06119	15.1
249.11223	0.6
255.02945	2.1
265.08835	1.1
267.07196	58.9
268.07678	1.1
269.04538	1.8
284.03281	6.8
285.03827	1.5
299.05594	4.4
309.08112	1.0
341.16107	1.5
343.21277	2.3
353.10068	0.7
432.28564	0.6
448.11288	0.8
455.19095	1.2
457.17126	1.3
473.10562	0.9
473.20541	0.9
499.18472	3.0
517.19244	100.0
518.19574	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	517.1555
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
54.68912	0.8
55.01866	1.1
55.24704	0.9
57.03424	3.8
59.01376	40.2
61.98835	1.1
69.03429	1.2
69.46510	5.1
71.01005	1.4
71.01379	18.1
71.31926	0.8
72.13759	0.8
72.99302	2.8
73.02927	6.2
75.00867	1.8
81.03434	1.8
83.01393	4.4
85.02947	41.2
87.00861	5.2
89.02438	8.5
92.31188	0.8
93.03442	2.4
93.72758	0.8
95.01399	5.7
98.20645	1.7
99.00877	3.0
101.02445	7.9
107.86239	1.0
108.02168	41.4
109.02973	9.2
113.02440	23.0
117.05576	11.9
119.03493	1.9
119.05099	1.1
121.02948	1.4
123.00874	0.8
125.02428	3.6
128.90103	1.0
129.01932	4.7
131.03516	2.1
132.02151	1.5
133.01436	2.5
133.02939	1.5
134.03731	8.4
135.04533	1.8
137.02420	3.0
143.03455	2.2
147.02975	2.9
147.04488	1.5
149.02396	1.3
149.04547	2.2
149.06111	2.9
150.00142	2.5
151.00304	1.0
151.03961	1.7
152.01141	99.5
153.01941	4.5
160.01651	9.3
161.02374	2.0
161.04539	5.6
163.04015	2.3
165.05518	1.7
173.04530	3.7
173.05928	1.1
174.04903	1.0
175.03978	10.7
176.04646	2.6
179.03354	1.0
191.01947	10.3
191.05568	2.0
191.07124	4.3
193.05022	11.7
203.03487	0.9
205.03506	3.1
207.06485	1.4
209.03004	44.5
210.03389	1.7
235.06099	9.4
241.07172	1.4
265.07211	6.7
280.07047	1.1
285.05484	0.9
295.08249	8.1
314.63409	0.9
355.10239	4.3
399.09317	24.6
400.09378	1.4
417.10349	9.2
454.17984	1.6
459.11353	9.7
499.14725	6.5
517.15521	100.0
518.16028	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	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21463	0.4
59.01374	16.4
60.01713	1.0
61.98826	19.0
65.35419	0.4
66.62243	0.4
71.01378	2.3
71.54295	0.6
72.07462	0.5
73.02967	1.2
76.28978	0.4
83.01399	0.6
85.02937	0.9
87.00860	2.2
89.02432	0.6
93.03468	0.5
99.00846	0.5
101.02474	1.3
108.02165	1.1
108.77970	0.4
109.74921	0.5
113.02458	0.8
121.02968	2.2
125.02457	0.7
130.99881	0.7
133.02939	0.6
138.01930	1.3
147.04483	0.6
161.04497	0.6
185.06012	1.1
186.06821	0.6
195.04477	0.8
209.05986	2.6
210.06824	4.7
211.03987	1.6
212.04692	0.7
225.05559	1.7
226.06284	1.5
227.03409	0.5
239.03439	1.9
253.05032	3.5
253.18129	1.0
254.05814	74.9
255.06184	3.8
266.05756	0.5
269.08154	100.0
270.08502	5.8
385.25507	0.5
432.08099	0.5
473.14426	1.5
499.21017	0.5
517.21643	0.5
517.30017	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	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21463	0.4
59.01374	16.4
60.01713	1.0
61.98826	19.0
65.35419	0.4
66.62243	0.4
71.01378	2.3
71.54295	0.6
72.07462	0.5
73.02967	1.2
76.28978	0.4
83.01399	0.6
85.02937	0.9
87.00860	2.2
89.02432	0.6
93.03468	0.5
99.00846	0.5
101.02474	1.3
108.02165	1.1
108.77970	0.4
109.74921	0.5
113.02458	0.8
121.02968	2.2
125.02457	0.7
130.99881	0.7
133.02939	0.6
138.01930	1.3
147.04483	0.6
161.04497	0.6
185.06012	1.1
186.06821	0.6
195.04477	0.8
209.05986	2.6
210.06824	4.7
211.03987	1.6
212.04692	0.7
225.05559	1.7
226.06284	1.5
227.03409	0.5
239.03439	1.9
253.05032	3.5
253.18129	1.0
254.05814	74.9
255.06184	3.8
266.05756	0.5
269.08154	100.0
270.08502	5.8
385.25507	0.5
432.08099	0.5
473.14426	1.5
499.21017	0.5
517.21643	0.5
517.30017	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	517.156
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.32661	0.8
57.03441	2.8
59.01374	19.9
61.00473	0.9
61.19821	0.8
61.40594	0.9
65.98308	0.8
67.95759	0.8
69.53924	5.4
71.01373	17.5
72.99296	1.9
73.02934	2.8
75.00871	8.7
76.60271	0.8
83.01373	2.3
85.02942	20.9
87.00877	8.5
89.02423	8.0
89.03954	1.0
90.50442	0.8
90.88086	0.9
95.01347	1.1
97.02914	0.9
99.00867	2.0
101.02432	8.0
108.02181	5.2
109.02909	1.9
111.00848	1.9
113.02433	10.2
115.10439	0.8
117.03425	2.7
117.05522	0.9
119.03493	1.1
123.04530	1.1
125.02410	3.1
129.01907	4.0
132.02173	13.0
133.01411	1.1
133.02937	2.2
134.03728	58.6
135.04277	1.5
137.02441	2.4
143.03473	1.9
147.04494	3.0
148.05270	1.6
149.02461	4.0
149.06055	11.2
150.03162	1.1
152.01137	11.5
160.01642	72.7
161.02051	2.6
161.04514	3.2
163.03902	1.2
164.04764	4.5
173.04514	2.0
173.06006	1.4
175.03983	100.0
176.04694	7.5
177.02005	1.1
178.02742	4.7
178.13167	0.9
179.05608	1.3
179.07114	2.9
189.12953	1.0
191.02028	4.5
191.05565	1.4
191.07097	8.9
193.05031	81.8
194.05347	2.4
205.03482	2.8
207.06651	2.2
208.03691	3.2
209.02980	17.9
217.05003	1.8
223.06042	3.8
235.06081	26.9
265.07169	8.1
279.12231	2.2
280.01389	0.9
295.08215	10.7
323.10052	0.9
337.09195	5.1
341.10739	2.3
355.10321	6.2
399.09137	1.9
423.21823	0.9
459.11517	1.6
499.14001	1.8
499.21710	1.0
517.15497	95.3
518.15967	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	516.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16449	0.2
57.11739	0.2
59.01378	0.7
61.98827	100.0
77.52181	0.2
87.00886	0.4
98.20750	0.5
128.00645	0.2
147.04556	0.3
173.49765	0.2
289.92215	0.2
526.38757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08233	0.3
57.90518	0.3
59.01371	0.7
61.98818	0.4
68.16916	0.2
69.64944	0.3
71.01382	0.3
71.53831	0.3
78.95901	40.4
79.95744	2.8
85.02950	0.5
87.00850	0.7
88.49808	0.3
96.83373	0.3
96.96011	100.0
96.96956	71.0
98.02472	0.4
98.20498	0.3
125.02423	0.4
135.04529	1.1
136.04813	0.7
149.06064	0.5
151.03975	0.4
161.06091	0.7
163.04022	0.4
172.17950	0.3
176.75038	0.3
179.03528	0.9
191.05516	0.4
205.05028	0.5
235.07280	0.5
295.08051	0.7
343.09427	0.5
355.11496	0.3
407.61835	0.3
414.12708	0.3
517.15613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.1
59.91905	1.6
65.03968	1.8
69.03452	2.4
69.26611	9.9
69.27027	4.4
71.01375	24.9
72.99303	1.5
73.02946	19.7
75.00886	1.9
83.01363	2.7
83.05016	7.9
85.02944	8.1
87.00887	3.1
89.02439	28.8
93.03455	52.2
94.03808	1.8
95.01386	1.8
95.74496	1.9
98.19883	4.0
99.00866	7.5
99.04517	5.1
101.02439	12.5
109.02953	1.9
111.00891	1.9
111.04510	21.8
112.09161	1.5
113.02457	9.1
119.03473	9.0
129.01941	2.7
130.05090	2.9
131.03517	2.8
135.04510	9.4
137.02434	16.9
143.03506	6.9
149.04524	2.9
155.03508	10.9
161.04607	2.3
173.00900	6.3
173.04530	100.0
173.09285	2.0
174.04910	3.1
179.03503	9.3
179.05540	12.3
188.05562	3.1
189.03993	1.9
189.05988	2.6
189.07635	1.8
191.05632	3.0
204.08751	3.4
236.21283	1.6
341.10864	88.2
342.11206	5.0
487.74368	1.9
515.14716	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	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	0.3
59.01376	100.0
60.01705	0.5
61.98822	0.5
70.49943	0.8
71.01375	7.7
71.05032	0.6
73.02949	0.8
83.01382	0.6
85.02959	0.9
87.00898	0.7
87.04474	0.4
89.02454	0.7
89.06078	1.2
96.66380	0.2
98.20576	0.3
101.02455	0.6
113.02462	1.1
121.02939	2.0
128.21219	0.3
134.03775	0.6
139.85616	0.2
165.01979	0.5
194.78278	0.3
199.07542	0.3
203.09232	0.4
217.08768	0.3
218.09471	0.6
220.38159	0.3
221.08177	1.8
233.10329	0.7
237.07603	1.2
238.03122	0.3
291.08771	0.6
337.94070	0.2
381.11859	10.2
382.12540	0.8
497.20441	1.3
515.21570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96264	0.6
59.01379	49.4
61.98827	21.1
63.57001	0.6
66.78996	0.7
69.30776	5.4
71.01371	2.6
73.02917	0.6
83.28004	0.6
84.42033	0.6
85.02939	1.2
89.02428	1.6
94.34666	0.6
95.01375	0.8
98.20681	1.1
101.02454	0.9
113.02446	4.2
119.03510	1.4
121.10229	11.8
126.17387	0.6
161.04475	1.0
171.10269	21.7
172.10782	0.7
179.86893	0.6
185.11833	1.2
231.21138	3.2
275.20135	42.6
276.20502	2.6
293.21204	100.0
294.21512	5.8
317.21207	1.9
335.22171	1.8
352.74002	0.7
354.20337	0.6
435.22391	0.6
447.60410	0.6
453.15775	1.0
510.85614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98824	100.0
62.73859	0.1
62.98542	0.1
70.84027	0.2
71.01377	0.1
71.03257	0.1
73.02934	0.1
85.02930	0.1
89.02411	0.1
160.03606	0.1
161.49858	0.1
173.04565	0.1
208.35568	0.1
212.59340	0.1
223.04443	0.1
327.52356	0.1
454.34119	0.1
514.32623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.00584	2.0
58.11660	1.2
59.01379	42.6
64.49343	1.1
69.96501	3.9
71.01382	33.8
72.99302	2.9
73.02934	4.8
78.95883	1.3
81.86478	1.1
83.01424	1.6
83.05029	1.9
85.02923	6.9
87.00895	2.6
89.02438	42.2
93.03461	15.4
95.01394	1.5
98.20551	1.9
99.00887	4.5
99.04527	1.8
101.02439	15.8
101.43144	1.3
111.00916	1.2
111.04538	6.6
112.98801	11.2
113.02444	13.2
114.39675	1.1
119.03499	14.9
129.01945	3.1
131.03499	2.0
137.02444	3.0
142.99850	11.2
143.03511	4.6
149.04507	1.2
155.03490	4.0
161.04564	5.5
173.00951	5.7
173.04535	24.6
173.05913	1.0
179.05603	20.4
206.09503	1.1
323.13397	7.2
341.10858	100.0
342.11276	4.0
342.77142	1.4
390.17749	1.2
391.65381	1.1
481.73337	1.3
515.14948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03441	1.5
58.00581	2.7
59.01377	44.8
59.20331	0.9
71.01379	38.6
71.05055	1.1
71.52148	1.2
72.50526	1.0
72.99303	3.3
73.02953	5.5
75.00864	2.3
78.95876	0.8
83.01366	1.7
85.02944	8.6
87.00868	3.3
89.02438	45.5
93.03455	13.0
95.01364	1.6
96.95989	2.1
96.96948	1.4
99.00883	6.6
99.04521	2.5
101.02432	19.2
102.23893	1.0
111.00861	3.0
111.04545	5.4
112.98795	14.2
113.02454	15.7
115.00398	1.9
119.03499	16.7
120.08385	1.0
129.01891	3.0
130.05061	1.1
131.03500	2.4
137.02441	3.4
142.99846	10.5
143.03494	3.9
145.01396	1.4
149.04564	1.6
155.03493	3.5
161.04539	4.5
163.97614	1.1
165.58939	0.9
173.00920	7.4
173.04526	21.7
175.02328	1.0
175.18254	1.2
179.03386	1.3
179.05594	19.6
180.05878	1.2
191.01981	2.4
209.02757	1.2
244.58517	1.0
323.13483	11.5
341.10858	100.0
342.11169	3.4
434.19983	1.1
489.52594	1.1
515.14569	2.2
543.69373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01381	7.7
61.98829	3.9
70.00040	2.3
71.01016	0.7
71.01378	8.8
72.99274	1.0
73.02933	1.0
74.98253	0.7
75.00863	1.0
78.95898	0.9
85.02951	10.3
87.00874	12.9
87.04503	1.0
89.02448	9.9
93.03455	2.0
96.96034	1.4
98.19805	0.7
99.00851	0.9
99.96021	0.7
101.02424	1.9
108.02158	2.4
109.02949	2.0
113.02449	1.3
119.05016	1.5
121.02938	3.3
121.06574	2.2
122.03750	0.8
123.04510	2.1
125.02399	1.4
126.49959	0.7
129.01945	1.7
129.03448	1.2
130.04222	0.9
131.05000	2.7
133.02898	1.0
133.05067	31.8
134.03777	1.0
136.07661	0.8
137.02420	2.2
146.03670	1.2
147.04520	18.5
148.05292	4.8
149.06076	100.0
150.06442	2.3
153.05583	0.9
155.01753	5.9
155.03519	0.7
158.03676	1.0
161.04636	0.7
163.04007	1.6
165.05565	0.9
173.02414	0.8
173.04533	1.8
174.03201	1.2
175.03993	16.1
181.03387	0.7
191.01921	3.8
191.05580	2.2
193.05049	92.3
194.05441	3.0
197.02740	1.6
205.03448	1.1
209.03014	5.8
219.02969	29.1
220.03513	0.8
225.02271	1.0
227.00238	1.7
237.04156	1.0
251.05403	0.8
252.31029	0.7
286.18604	0.7
287.02313	8.3
327.09036	0.8
337.09439	2.8
350.15692	0.8
355.10336	4.0
363.07382	2.8
381.08447	4.8
405.92239	0.7
427.12637	1.1
453.10742	1.4
453.17618	0.8
497.12979	11.9
515.14325	73.3
516.14642	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03448	0.2
58.00586	0.2
59.01374	5.5
61.98870	0.1
68.93056	0.0
69.03461	0.1
69.18127	0.4
71.01376	4.4
72.99291	0.3
73.02946	0.9
81.03449	0.1
83.01375	0.6
83.05033	0.1
85.02941	1.0
87.00866	0.6
89.02438	3.3
91.04019	0.2
95.01379	0.4
97.02946	0.2
97.06576	0.1
99.00893	0.2
99.04517	0.1
101.02434	4.3
103.04034	0.2
113.02439	2.0
113.06107	0.1
115.04002	0.1
119.03486	0.9
123.64744	0.0
125.02497	0.2
127.07656	0.2
131.03500	0.2
133.05093	0.3
143.03494	0.4
149.04526	0.1
157.05026	0.2
161.04541	1.7
168.85437	0.0
179.05606	0.5
205.19440	0.1
206.62048	0.0
233.22733	0.3
235.08177	1.3
253.09254	16.6
254.09659	0.4
259.20624	0.4
275.20023	0.3
277.21680	100.0
278.22015	5.5
297.99768	0.0
444.56815	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
55.73834	0.8
56.14908	0.7
58.48894	0.9
59.01383	4.0
60.55713	0.8
61.98830	4.1
69.42976	1.6
69.43382	4.6
70.09007	0.8
71.01372	2.2
72.99285	1.0
85.02943	5.0
87.00864	2.1
89.02438	1.5
90.91669	0.7
93.03458	2.8
96.96030	1.2
100.04039	2.3
101.02441	1.9
102.05617	13.9
107.05039	0.9
109.02895	1.0
121.02953	3.3
121.38222	0.8
125.02438	1.4
128.03539	40.4
134.03714	0.9
135.04527	5.6
137.02411	1.4
138.05493	0.9
140.72986	1.0
146.04588	45.2
147.04660	0.9
149.02432	33.4
149.66823	0.8
150.03128	1.6
151.03964	1.4
155.06090	1.1
161.02422	3.3
162.03159	0.9
163.03978	1.4
164.01085	1.4
164.04788	57.2
165.05318	2.5
172.02533	1.2
173.04524	1.5
175.00342	3.3
177.01868	1.7
177.05481	2.1
178.06299	1.0
179.03468	3.2
179.07124	41.9
180.04504	0.7
180.07430	0.9
190.02692	14.3
191.01897	1.1
191.03497	1.7
191.05537	2.0
192.02917	1.7
192.07811	0.9
192.13368	0.9
205.05048	30.5
206.08124	0.9
207.05191	1.1
207.06876	1.0
208.03757	5.8
209.02948	1.9
218.04530	1.8
223.06116	24.8
223.08340	1.3
231.08868	0.9
232.06091	1.7
233.06862	2.6
234.07736	4.4
247.08470	1.9
248.09218	1.4
249.10016	2.0
253.05086	2.7
260.05511	1.6
262.10803	9.5
264.12158	1.1
271.06122	1.7
275.08005	1.5
276.08759	1.1
290.10315	2.9
293.08945	3.6
308.11365	6.9
309.11902	0.8
334.09247	11.4
341.08749	1.5
352.10352	100.0
353.10657	5.0
367.55368	0.9
385.11298	4.5
433.11713	1.1
470.19260	1.1
496.14471	3.3
514.15607	95.8
515.15741	9.5
544.54767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03442	0.1
58.00615	0.2
59.01375	5.8
59.28149	0.1
59.97784	0.1
61.98830	0.1
62.51713	0.1
69.03465	0.1
71.01378	4.5
71.54218	0.1
72.01701	0.1
72.99306	0.3
73.02941	0.9
73.04374	0.1
78.95893	0.3
79.99125	0.1
81.93327	0.1
82.01060	0.1
83.01378	0.5
83.05032	0.1
85.02946	1.0
86.00105	0.1
87.00869	0.6
87.20050	0.1
89.02438	3.3
91.04030	0.2
95.01386	0.4
97.02966	0.2
99.00884	0.3
99.04550	0.1
101.02435	4.5
103.04010	0.2
111.04524	0.1
113.02440	1.9
115.04017	0.1
119.03493	1.0
122.93163	0.1
125.02467	0.3
127.07635	0.3
131.03452	0.1
133.05070	0.3
134.40012	0.1
141.09215	0.1
143.03455	0.4
149.04564	0.1
152.99580	0.5
157.05144	0.1
161.04549	1.5
179.05617	0.5
205.19664	0.1
233.15495	0.1
233.22826	0.4
235.05827	0.1
235.06398	0.0
235.08173	1.3
253.09259	15.6
254.09660	0.4
259.20645	0.4
275.20129	0.3
277.21686	100.0
278.22034	5.5
321.03299	0.1
382.57300	0.1
431.22043	0.1
443.45679	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56556	1.0
55.01865	4.1
56.90926	1.1
59.01372	45.8
61.98823	6.6
67.01892	1.3
69.03451	100.0
69.23264	7.0
69.23689	3.4
70.03787	1.4
71.01374	15.7
72.99300	4.5
73.02938	5.2
75.00857	2.5
79.01888	3.3
81.03455	2.5
83.01333	2.0
85.02940	23.2
87.00861	14.3
89.02448	7.2
93.03477	1.8
95.01373	4.7
95.94852	1.0
96.95992	3.7
97.02941	17.3
99.00876	27.9
101.02438	8.7
109.02959	2.0
111.00861	6.3
113.02441	8.1
115.00351	2.2
119.03445	2.1
119.04993	1.2
121.02924	2.1
121.06583	1.2
123.00858	1.9
123.04521	2.7
125.02428	7.7
129.01935	7.9
132.38824	1.1
133.06635	1.6
134.03723	3.3
135.04436	1.7
137.02414	2.7
137.06116	1.2
141.01935	7.9
143.03419	1.9
145.02931	2.2
145.06517	1.8
146.03688	1.3
147.04495	6.1
148.05219	2.5
149.06068	13.4
159.04462	1.7
161.02415	1.7
161.04518	2.9
161.05946	1.0
162.03174	1.3
163.03932	3.3
173.04529	6.5
173.06006	2.7
174.03154	1.9
175.03934	5.6
175.07593	1.2
178.02657	1.5
179.03531	1.4
179.05612	1.4
183.02879	1.3
185.00893	96.6
186.01279	3.0
187.07660	2.8
191.05632	1.3
193.05096	8.1
203.07201	1.2
203.10797	2.5
205.03520	12.7
213.09129	2.1
215.07207	2.4
216.07877	3.1
219.02966	16.1
226.06355	1.3
231.10213	2.9
241.08661	1.3
242.09389	1.3
265.08850	1.4
275.09219	2.9
284.07108	1.4
300.02701	1.7
309.07578	2.0
315.04880	1.7
326.07941	1.6
327.21695	2.4
341.10068	1.8
343.25995	1.4
351.10568	5.7
353.06610	1.5
356.12619	1.9
416.06909	1.3
453.25406	1.2
477.10120	1.3
495.12805	4.9
495.19043	12.3
513.13147	6.9
513.23114	20.3
513.30481	3.3
514.22955	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	513.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29790	0.3
55.01873	0.9
59.01379	11.0
61.98812	0.4
67.01883	0.7
68.99801	1.5
69.03448	1.4
69.50792	1.4
69.51200	0.9
71.01379	13.2
72.99301	5.3
73.02942	1.1
75.00871	10.3
75.90836	0.4
81.03454	2.3
83.01382	1.2
83.05005	0.5
83.50752	0.3
85.02947	15.7
87.00883	5.0
89.02441	3.5
91.03977	0.9
93.03442	1.1
95.01390	4.0
96.95992	0.6
97.02914	0.9
98.20697	0.3
99.00877	7.0
101.02447	1.2
103.00369	1.5
108.05837	0.4
109.02936	1.4
109.06558	0.5
111.00870	1.5
111.04505	1.5
112.01629	0.4
113.02445	16.7
113.06117	0.4
115.00389	0.9
116.97865	0.4
117.01952	2.3
119.08693	0.5
121.06598	0.7
122.03729	1.2
123.04508	0.4
123.08092	0.4
125.02439	6.8
125.06073	1.9
129.01947	4.0
129.47354	0.3
131.03468	0.4
135.08125	0.9
136.05276	1.2
137.06061	0.8
138.06874	0.8
139.00400	0.5
139.07616	1.4
143.03485	1.3
145.06622	0.5
147.02971	1.0
147.04454	0.8
148.05316	0.6
149.06117	0.6
151.07660	3.3
152.08461	1.7
153.09187	0.6
157.01355	0.6
159.04599	0.4
159.11726	0.8
161.04491	0.6
161.09700	0.8
163.07640	1.3
173.04550	0.9
175.02449	1.1
180.91168	0.3
185.09644	1.0
187.07680	0.7
189.04041	0.5
189.05566	0.5
189.09209	0.5
190.99831	0.9
193.05034	0.5
196.56717	0.4
201.12833	6.2
203.10841	2.1
204.11522	5.6
205.03490	6.5
205.11909	0.5
207.05231	0.5
217.12236	0.4
219.03006	1.0
219.13879	11.6
223.04579	13.1
227.03625	0.6
230.09511	0.4
231.05006	1.6
245.11801	2.5
249.06140	20.4
250.06592	0.8
263.12817	3.3
267.07208	17.9
268.07742	0.6
283.06015	0.5
299.01862	0.5
300.02756	3.6
315.05078	6.4
477.10596	1.6
495.18805	1.6
513.19751	100.0
514.20142	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	513.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10696	0.7
57.03416	1.4
59.01378	15.8
61.98811	2.7
69.03436	0.7
71.01379	5.9
71.09150	1.9
72.99306	2.1
73.02936	1.8
75.00867	1.6
78.80543	0.8
81.03442	2.9
83.01395	1.4
85.02943	6.6
87.00856	5.5
89.02436	1.5
93.03425	2.4
95.01369	0.8
96.96010	1.9
97.02862	0.7
97.04147	0.7
99.00866	2.4
101.02423	2.3
108.02150	1.4
109.02904	1.4
111.00853	1.9
113.02412	2.9
119.04991	2.9
121.02921	2.1
123.00926	0.8
123.04477	2.1
125.02438	6.9
129.01918	2.1
130.04224	1.3
131.05048	1.0
133.02902	1.5
134.03716	1.6
135.04482	2.3
137.02415	5.5
139.04008	1.5
141.01884	1.5
143.03551	1.2
145.02911	2.3
146.03712	3.3
147.04517	40.8
148.05359	5.7
149.04918	1.5
149.06067	28.5
158.03687	1.0
159.04501	4.2
159.08144	0.9
161.02470	1.2
161.04523	1.4
161.06009	0.9
163.07669	1.0
172.05299	7.0
173.02501	1.0
173.04605	1.7
173.06027	9.2
174.03168	1.7
174.06769	3.4
175.03998	19.9
175.07602	3.3
176.04677	0.8
178.02664	1.0
179.03427	1.1
180.15060	0.9
187.03975	3.2
187.07625	35.7
188.08076	1.6
189.05634	1.2
192.04201	2.6
193.05029	11.1
201.05560	5.2
202.06342	10.7
202.09972	1.5
203.06921	1.1
203.10750	3.0
205.03528	7.9
213.09184	5.0
216.07820	1.2
218.02110	3.6
219.02963	100.0
220.03210	3.1
231.10242	19.0
231.13783	1.8
237.03967	2.4
249.06058	1.0
267.07037	1.8
275.09201	6.7
283.06039	1.4
294.45279	0.8
303.68701	0.9
381.13419	1.4
423.14313	1.1
451.13522	1.8
453.23364	2.2
469.14886	2.9
469.26245	1.0
477.11768	2.3
495.12909	34.6
495.20111	2.0
496.13074	3.1
513.13806	26.3
513.20239	1.8
514.14349	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	511.2909
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
55.20332	0.5
57.03458	0.6
59.01389	0.7
61.98820	1.2
62.75696	0.5
69.03445	0.7
80.31896	0.5
83.05071	0.6
91.50425	0.5
97.06590	0.5
98.20638	1.5
111.08169	2.3
127.64984	0.5
157.93472	0.6
163.11288	0.9
165.12839	23.9
166.02864	0.5
166.13287	0.7
183.13889	100.0
184.14288	3.2
200.41489	0.6
209.11855	4.1
219.43575	0.5
227.12872	14.5
229.17560	0.7
244.57462	0.5
283.15533	1.4
301.16547	21.7
302.16943	1.0
319.26843	0.6
449.29010	1.2
467.30106	1.3
493.28043	1.8
511.29092	42.7
512.29340	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	511.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14019	1.8
59.01358	1.6
60.99302	21.1
70.75321	5.5
71.05010	2.6
78.95891	7.9
88.72509	1.9
96.95973	3.7
97.06606	1.8
103.78282	1.9
112.20213	1.7
141.30455	2.2
152.99579	15.1
220.85005	1.9
283.26407	49.3
284.26697	3.3
363.57968	2.2
384.80539	1.8
421.30594	4.1
421.35532	2.3
437.34177	57.1
438.34467	5.5
439.35715	100.0
440.36081	10.4
457.36865	18.2
480.38217	3.8
483.34717	41.5
484.35330	4.6
501.35965	3.0
511.30344	41.7
512.30975	3.0
514.65167	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	513.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.76636	0.5
59.01374	6.9
61.63512	0.6
61.77243	0.6
67.01869	2.5
69.03444	3.0
69.58101	4.0
71.01357	4.6
73.02954	0.8
81.03457	1.1
83.01359	0.7
83.05029	1.3
85.02927	1.9
87.00867	3.3
88.98840	0.9
89.02429	1.0
93.03452	37.9
94.03802	0.8
99.00873	0.9
99.04546	0.6
101.02431	0.8
101.06052	1.2
109.02926	0.7
111.00890	0.6
111.04510	4.5
113.02447	1.5
114.20330	0.6
117.03439	1.3
119.05018	22.2
120.05386	0.6
133.02979	1.0
133.06572	2.4
134.03726	10.9
135.04539	0.9
137.02438	23.3
141.09311	0.7
145.02924	2.4
147.04517	3.9
148.05296	1.6
149.06044	7.9
155.03494	8.6
159.04477	0.8
160.01649	4.3
163.02599	1.2
163.03989	30.4
173.04530	100.0
174.04933	2.3
175.03960	5.4
177.05545	2.9
178.02711	1.1
185.00919	1.6
191.05592	3.1
193.05034	14.3
193.82076	0.7
203.10710	1.2
205.31319	0.7
219.02980	6.8
275.09225	1.0
296.15146	0.6
299.68939	0.8
319.08188	2.2
337.09250	39.5
338.09546	1.7
349.09235	10.8
367.10315	6.8
441.10437	0.7
495.13049	1.7
495.19366	0.8
513.13702	4.8
513.20367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.59081	0.2
69.27653	1.0
69.28073	0.6
71.01419	0.2
89.02467	0.2
95.39790	0.2
103.93383	0.2
106.53016	0.2
140.05917	0.2
313.57861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2544
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
53.16470	0.5
57.03445	4.4
58.00601	1.2
59.01377	17.9
61.98823	0.8
69.03439	1.0
70.09133	2.1
71.01375	9.1
72.99314	0.9
73.02947	1.3
77.96031	0.5
83.01388	0.7
83.05038	1.0
85.02926	2.8
87.00880	3.8
89.02443	5.3
95.01383	1.4
97.06621	0.8
101.02436	4.7
109.04147	0.6
111.08156	1.1
113.02441	3.1
119.03526	1.3
123.00888	4.0
123.08141	0.6
124.01662	13.8
125.02453	1.7
138.03180	1.7
139.04012	8.8
147.04446	0.8
165.12811	7.1
173.13336	2.7
183.13866	5.0
187.52005	0.5
201.05495	0.6
203.35606	0.6
209.11702	1.0
217.08734	0.7
218.09512	1.2
219.10091	0.7
219.17410	0.6
227.12849	2.2
228.07948	0.8
243.17517	1.2
251.12787	0.7
259.20642	13.7
260.20871	0.7
261.22217	24.1
262.22623	1.5
287.20099	1.9
289.21481	1.0
291.23273	1.5
293.14120	1.5
301.09375	0.8
301.21637	0.9
303.19656	3.0
305.21198	7.8
331.19104	13.1
332.19290	1.0
349.20166	100.0
350.20520	6.6
387.30817	0.7
391.21295	11.0
392.21582	1.0
416.53336	0.7
421.22244	1.2
451.24121	1.1
479.19000	1.9
511.26178	51.3
511.32996	2.7
512.26422	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	509.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60670	0.5
59.01372	2.1
60.99007	0.8
60.99305	14.0
61.98816	1.8
68.78154	0.5
69.05462	0.5
69.29816	2.4
69.30245	1.9
71.01376	1.7
75.00871	2.6
81.03444	0.6
85.02943	1.4
87.00875	16.1
88.00391	1.7
88.98803	100.0
89.02444	6.5
96.96006	4.0
97.04068	0.6
113.02431	0.6
115.00352	0.6
121.46001	0.6
122.01141	0.6
125.02451	6.5
130.99846	1.3
138.84840	0.5
149.04590	0.7
149.06149	0.7
166.05089	1.2
174.00916	0.5
177.05667	0.6
191.05618	0.8
193.05165	0.6
203.03621	1.1
204.04285	1.7
215.03481	0.8
217.05034	1.1
222.06859	1.0
229.04974	0.8
243.06532	0.8
245.04416	0.8
271.06131	1.1
289.06995	0.8
293.08768	1.4
315.08856	0.8
317.12662	1.1
359.07755	0.8
375.13113	1.3
377.05045	3.3
387.13004	0.5
424.13480	0.5
458.13611	0.6
473.13742	0.6
509.05887	2.2
509.17413	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	509.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
55.20021	0.8
57.03425	0.8
59.01374	100.0
60.59802	0.8
61.98825	16.1
69.29927	6.8
71.01377	13.5
72.99296	1.9
73.02943	5.3
75.00875	1.5
79.01140	0.7
81.37408	0.7
83.01376	1.8
85.02947	8.7
87.00879	2.9
88.98775	1.3
89.02428	8.1
89.82745	0.7
93.03461	1.4
95.01364	1.3
96.96002	0.9
99.00868	1.0
101.02434	8.2
109.02853	0.9
113.02436	6.3
119.03474	2.9
122.03687	2.0
125.02467	0.9
135.02928	1.0
137.02400	1.0
147.04500	1.6
149.02409	1.6
152.01170	2.0
161.04556	4.0
163.03928	1.8
165.01903	3.0
165.05524	1.9
172.20518	0.9
173.04515	2.6
179.05536	0.9
179.07086	1.1
180.04247	1.4
188.04788	0.8
189.05573	1.8
189.12749	2.3
191.01959	1.6
191.03636	0.8
191.05550	1.4
193.04942	1.2
194.04587	1.2
195.06602	2.5
208.03613	1.0
223.06047	2.8
223.78694	0.9
225.07631	1.8
287.18634	2.2
347.14938	13.4
369.19171	1.8
387.20212	5.2
391.26886	1.2
429.21283	6.8
449.15060	1.0
449.23865	12.6
467.15387	1.6
509.29358	1.3
510.12207	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	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23947	1.0
58.27140	0.9
61.98817	1.7
71.23711	2.4
73.14745	1.0
78.95905	19.7
87.00887	1.8
96.95995	1.3
115.32411	1.2
121.02943	1.4
125.77638	1.1
134.98506	1.2
152.99599	31.0
171.00668	1.6
194.67378	1.0
227.03282	4.0
245.04282	1.3
255.23315	2.5
281.24838	100.0
282.25146	5.9
451.06607	1.1
509.23199	3.2
509.28827	63.8
509.72736	1.5
510.29202	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07324	0.7
55.01873	2.0
57.03433	2.1
59.01378	51.0
67.64845	0.6
69.03457	1.1
69.23719	3.2
69.24139	2.1
71.01378	43.0
72.99285	1.6
73.02943	9.6
75.00878	0.8
81.03464	0.8
83.01379	4.5
85.02944	14.5
87.00884	3.6
89.02440	22.2
95.01372	1.8
97.02946	1.9
99.00874	4.2
101.02437	24.8
101.03110	1.3
104.07815	0.6
111.00872	2.6
113.02448	12.1
125.02435	2.5
129.01935	0.9
131.03497	12.4
143.03484	2.1
149.04524	6.7
159.02998	1.6
161.04538	9.8
181.62488	0.7
183.13911	1.5
191.05559	2.5
209.03011	1.0
233.06612	1.5
293.08759	1.6
315.18134	13.0
345.22684	0.8
372.43607	0.7
375.27390	4.4
447.22299	100.0
448.22623	7.5
507.32190	1.5
517.25684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05609	0.7
53.52002	0.7
57.23586	0.7
59.01370	1.5
60.04040	0.8
61.98818	2.6
71.53792	1.0
78.95898	11.3
96.96942	1.2
110.98968	0.8
123.66327	0.7
127.02930	1.0
152.99593	16.9
171.00575	1.8
225.59570	0.7
227.03268	3.0
244.45229	0.9
245.04326	2.1
279.23279	100.0
280.23743	6.0
372.07962	0.8
394.64822	0.8
507.27255	39.6
508.27463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38260	0.4
57.03454	0.5
59.01377	100.0
60.01720	0.8
61.98812	2.0
69.03467	0.8
69.19683	1.1
69.20097	2.4
71.01385	4.1
72.99303	0.4
73.02959	2.9
75.00868	0.8
83.01399	1.0
85.02942	1.9
87.00871	2.6
88.21152	0.4
88.98827	0.5
89.02448	2.2
93.03468	0.6
101.02441	3.0
105.01940	1.1
113.02456	2.5
119.03493	1.0
121.03003	0.4
123.04558	0.8
131.03578	0.4
135.04520	0.5
145.02927	0.7
146.41032	0.4
149.04619	0.6
149.06050	0.4
161.02492	0.4
161.04607	1.0
163.03996	2.1
164.98396	0.4
165.05632	0.5
173.04602	1.4
178.44266	0.4
179.05672	0.9
181.01463	0.6
191.05685	0.9
251.02051	1.5
271.14352	0.4
285.04254	0.5
285.12366	0.7
301.07230	0.9
329.15213	0.5
345.10785	0.7
373.14288	1.2
387.20471	1.7
391.02795	0.4
447.22525	5.9
463.22141	3.0
507.10065	0.6
507.16751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83190	0.7
54.69453	0.7
59.01373	4.2
59.01630	0.8
61.98837	1.6
71.01380	2.6
71.52905	1.2
75.00873	11.8
76.59329	0.8
85.02952	1.9
87.00873	100.0
88.01187	1.0
88.98804	3.4
89.02425	1.6
96.96011	3.1
97.04035	0.8
101.02441	1.2
109.04086	1.3
109.12234	0.8
111.00868	1.2
115.00343	0.8
118.06664	1.0
123.00850	0.8
130.99857	3.8
133.01451	0.9
135.04482	2.0
147.04456	1.1
149.06117	1.8
163.03976	1.0
166.05142	5.4
167.05496	1.6
174.03270	0.8
189.05475	1.5
193.05006	1.0
199.03951	0.8
199.07570	0.9
201.05466	2.7
202.06429	0.9
203.03452	8.6
204.04254	8.1
210.05025	1.3
212.04866	1.2
215.03459	3.4
217.05002	5.9
225.05547	2.2
227.03441	1.5
227.07051	2.2
228.04225	0.9
229.05002	3.5
230.05811	3.3
231.02916	0.8
231.06441	1.1
243.06581	3.3
245.04495	7.1
245.08080	1.9
246.05406	5.8
261.07623	3.1
269.04498	1.2
269.07892	1.2
271.06055	6.2
287.09158	1.5
289.07150	3.1
297.04218	1.2
315.05270	1.6
315.08713	3.3
317.12515	3.1
331.08115	2.8
342.11295	1.0
349.05566	2.7
359.03854	1.2
359.07724	4.3
375.06998	1.1
375.13049	3.6
377.05106	24.2
378.05569	1.7
389.01218	0.9
393.08246	6.9
403.06540	2.7
421.07599	3.4
447.05017	0.9
465.04440	1.2
491.04785	1.8
509.05716	17.9
509.17783	2.7
510.05533	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	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41754	0.4
57.03453	0.5
57.48617	0.4
59.01376	100.0
60.01722	0.8
61.98822	2.9
69.03461	0.5
71.01379	5.4
71.54206	0.6
73.02934	2.4
75.00880	1.3
83.01389	0.9
85.02948	1.8
87.00912	1.5
89.02444	2.2
93.03464	0.9
93.17297	0.5
99.00910	0.4
101.02427	4.1
104.05093	0.5
111.00882	0.5
112.98894	0.5
113.02454	3.2
119.03522	1.0
119.05063	0.5
120.01259	1.2
122.06108	0.4
124.07645	1.3
125.02406	0.5
132.04559	5.6
133.05328	3.1
134.06119	0.7
135.04463	0.6
137.02501	0.4
147.35548	0.4
149.06107	0.7
161.02470	0.9
161.04550	0.9
163.04044	1.2
164.04735	0.5
165.04312	2.5
173.04546	1.2
177.04391	0.6
179.05569	0.7
186.09317	0.5
191.05586	0.7
193.05032	0.9
198.78122	0.4
209.03412	0.9
214.12402	0.5
215.11972	1.3
229.09813	0.7
240.10616	0.5
243.15979	1.0
251.02020	1.1
257.12967	4.7
283.10773	2.3
301.11874	3.1
333.19263	1.1
345.10876	25.5
346.11353	1.5
367.12845	0.4
387.20306	4.2
405.21304	1.4
447.22299	6.7
507.16541	4.3
507.24670	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	506.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01373	6.6
60.01696	0.4
61.01801	0.5
61.89002	0.2
61.98825	100.0
62.71730	0.2
64.52745	0.3
66.45007	0.3
67.65630	0.2
68.07838	0.2
69.62463	1.6
71.01380	3.0
72.99319	0.3
73.02946	1.0
78.95924	0.3
83.01392	0.6
85.02945	3.3
86.82113	0.2
87.00861	1.4
89.02457	1.2
95.01403	0.3
99.00828	0.4
101.02441	3.1
110.00111	0.4
111.00888	0.4
111.63289	0.3
113.02425	1.5
119.03491	0.4
119.05043	0.3
125.03474	0.3
130.99849	0.2
132.03043	1.4
161.04544	0.6
162.04903	0.3
165.99107	0.6
166.99858	0.5
173.04506	0.3
173.06029	0.4
178.73660	0.3
191.02020	0.7
343.28333	0.4
357.26660	0.5
428.11142	0.7
443.13409	2.8
488.19394	0.3
505.34052	3.6
506.21774	0.5
506.34259	2.4
507.35431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10519	2.8
59.33879	4.0
61.98827	100.0
63.01656	2.6
65.19674	2.6
70.27367	12.6
81.06535	3.0
96.96008	7.2
98.20614	5.1
103.98388	3.1
170.80370	2.8
255.82707	4.0
303.43491	3.6
509.59430	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	507.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.0
71.01378	2.4
71.52718	1.3
72.99299	1.5
75.00871	19.3
85.02952	0.9
87.00873	14.3
89.02492	0.6
91.18793	0.6
96.96986	0.6
99.00886	2.0
101.02473	1.1
105.01932	12.7
105.02640	0.8
108.04456	0.6
114.12936	0.7
117.01956	1.4
124.68453	0.8
129.01935	4.2
147.02991	2.9
165.04037	100.0
166.04367	1.5
180.57768	0.6
199.18011	0.8
201.91698	0.6
224.36433	0.7
243.03540	0.8
260.15997	0.7
470.34079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69725	0.7
55.01860	0.9
59.01369	3.6
61.11930	0.8
61.36884	0.7
71.01376	1.8
72.13662	0.8
72.99308	1.4
74.28883	0.9
75.00869	19.9
75.31187	0.8
83.39905	0.7
87.00871	15.6
89.02457	1.0
96.96943	1.3
99.00876	2.3
101.02406	1.2
105.01936	14.7
117.01960	0.9
117.72298	0.8
119.15942	0.7
129.01984	3.6
138.05496	0.8
147.02982	4.3
165.04033	100.0
166.04404	1.3
195.01611	0.9
195.05048	0.9
243.03482	1.4
258.77170	0.7
338.50650	0.8
442.90186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
59.01378	100.0
60.01715	0.8
61.98830	4.8
63.99262	0.4
70.52702	0.8
71.01380	3.5
73.02921	2.3
75.00876	0.6
83.01386	0.9
85.02964	1.5
87.00886	1.8
89.02470	2.3
93.03474	1.2
96.96033	0.8
99.00894	0.6
101.02426	3.0
110.71055	0.4
113.02457	2.2
119.03497	0.5
121.02968	0.5
123.04559	0.6
131.03546	0.6
135.04517	0.6
136.98816	0.5
137.02441	0.6
141.14310	0.4
146.06201	0.9
149.04620	0.6
149.06110	0.5
161.02458	0.7
161.04591	1.6
163.03943	1.0
164.98320	0.9
165.03960	0.6
173.04616	1.4
175.04082	0.5
181.01459	1.0
182.99312	0.7
191.05664	1.3
203.05547	0.5
207.03081	0.6
251.01979	1.4
275.21167	0.5
345.10834	0.6
387.11786	2.6
387.20090	2.0
405.21561	0.5
447.22363	5.2
475.10965	3.0
476.11630	0.6
507.24554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90715	0.6
55.01868	1.2
57.03439	3.6
58.00576	0.7
59.01377	30.0
61.98829	3.2
69.03446	1.8
71.01379	19.7
72.99294	1.5
73.02936	5.8
73.89706	0.6
75.00861	1.4
81.03468	1.1
81.11166	0.6
83.01369	2.5
84.02140	0.6
85.02952	12.9
87.00889	3.4
89.02447	15.6
93.03446	1.6
95.01376	1.3
97.06574	1.2
99.00905	3.4
99.04477	0.6
101.01800	0.8
101.02428	10.8
103.03973	0.8
107.82589	0.6
109.02969	5.4
111.08155	3.8
113.02446	8.7
117.05536	1.0
119.03487	5.0
119.05017	0.9
119.28507	0.6
123.04527	0.9
125.02434	2.1
129.01944	1.2
131.03461	0.7
133.01402	1.1
135.04474	0.6
135.06638	7.5
136.79243	0.6
137.02443	2.3
143.03479	1.4
145.02847	0.8
147.02975	1.0
147.04439	1.0
149.04555	1.2
159.03085	0.6
159.04457	0.6
161.04576	2.9
163.03995	1.1
163.28275	0.6
165.12842	22.3
166.13210	1.0
167.03464	1.6
171.10300	0.8
173.04601	1.5
173.06046	1.0
179.03398	1.1
179.05563	2.3
181.12350	1.0
183.13899	31.0
184.14244	1.0
190.75238	0.6
191.01981	2.6
191.03540	0.7
191.05594	0.8
191.10776	1.0
195.13884	0.7
197.15503	5.6
199.07675	0.6
209.02972	11.8
209.11861	3.2
225.14963	1.1
227.03430	0.7
227.12851	6.9
229.04982	1.1
241.05052	0.7
259.19214	0.7
261.03891	0.9
271.06192	1.8
278.88013	0.7
283.05713	1.0
284.03244	0.9
285.07709	1.7
297.11887	19.6
298.12305	1.0
311.05829	0.8
313.07138	2.6
345.09851	1.3
353.06567	1.1
355.08301	0.8
357.09790	0.6
374.12463	0.7
375.20154	1.5
375.27496	7.5
387.10846	9.8
388.11398	1.1
417.11823	3.5
447.26123	1.1
463.10214	2.3
463.25311	2.4
507.24365	100.0
508.24719	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	507.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.0
61.98826	1.3
69.03448	0.3
71.01383	2.7
73.02948	0.8
75.00854	0.7
81.92591	0.3
84.04530	0.6
85.02940	1.1
86.03187	0.3
87.00861	1.1
89.02455	1.5
93.03466	0.7
94.02944	0.4
95.03756	0.9
96.08165	0.6
101.02448	1.1
104.05087	0.5
106.06621	1.4
113.02451	1.3
119.03484	0.6
120.01232	1.4
122.06121	1.4
123.03309	0.3
123.04498	0.4
124.07674	4.6
132.04547	20.8
133.05334	12.9
133.06380	0.6
134.06133	3.0
137.74718	0.3
138.05592	0.5
146.02495	0.4
148.04039	1.1
149.06099	0.4
150.05583	1.1
161.02393	0.6
161.04556	0.7
163.04037	1.0
165.04303	10.5
165.05685	0.7
173.04630	0.8
176.03532	0.8
176.07162	0.7
177.04291	2.6
178.04961	0.9
179.05487	0.3
186.09221	1.5
187.08728	0.5
188.48485	0.4
191.05591	0.8
193.04988	0.4
198.09256	0.4
209.03288	3.5
212.10805	0.5
213.06691	1.5
214.12341	3.5
215.11842	4.3
226.07416	0.4
227.08224	0.7
228.08961	0.4
229.09880	2.1
240.10239	1.3
241.09769	2.8
245.41426	0.3
251.01859	0.6
255.11409	1.5
257.12927	19.6
258.13232	1.1
283.10858	8.8
295.23169	0.3
301.11929	10.7
302.12286	0.4
327.09662	0.9
345.10873	100.0
346.11185	6.0
387.20306	1.8
447.22388	2.8
507.16202	10.4
507.23410	0.6
508.16461	1.4
534.48737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.0
61.98826	1.3
69.03448	0.3
71.01383	2.7
73.02948	0.8
75.00854	0.7
81.92591	0.3
84.04530	0.6
85.02940	1.1
86.03187	0.3
87.00861	1.1
89.02455	1.5
93.03466	0.7
94.02944	0.4
95.03756	0.9
96.08165	0.6
101.02448	1.1
104.05087	0.5
106.06621	1.4
113.02451	1.3
119.03484	0.6
120.01232	1.4
122.06121	1.4
123.03309	0.3
123.04498	0.4
124.07674	4.6
132.04547	20.8
133.05334	12.9
133.06380	0.6
134.06133	3.0
137.74718	0.3
138.05592	0.5
146.02495	0.4
148.04039	1.1
149.06099	0.4
150.05583	1.1
161.02393	0.6
161.04556	0.7
163.04037	1.0
165.04303	10.5
165.05685	0.7
173.04630	0.8
176.03532	0.8
176.07162	0.7
177.04291	2.6
178.04961	0.9
179.05487	0.3
186.09221	1.5
187.08728	0.5
188.48485	0.4
191.05591	0.8
193.04988	0.4
198.09256	0.4
209.03288	3.5
212.10805	0.5
213.06691	1.5
214.12341	3.5
215.11842	4.3
226.07416	0.4
227.08224	0.7
228.08961	0.4
229.09880	2.1
240.10239	1.3
241.09769	2.8
245.41426	0.3
251.01859	0.6
255.11409	1.5
257.12927	19.6
258.13232	1.1
283.10858	8.8
295.23169	0.3
301.11929	10.7
302.12286	0.4
327.09662	0.9
345.10873	100.0
346.11185	6.0
387.20306	1.8
447.22388	2.8
507.16202	10.4
507.23410	0.6
508.16461	1.4
534.48737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01846	0.9
55.37344	0.6
57.03431	1.7
59.01377	10.5
61.98832	4.1
67.01863	0.8
71.01377	15.1
71.53641	0.6
72.99309	4.6
73.02937	1.0
75.00868	14.2
76.32085	0.6
78.95890	0.9
83.01369	1.4
85.02949	17.3
87.00878	6.5
87.38213	0.6
89.02448	3.9
95.01389	4.9
96.95995	1.0
99.00883	8.6
101.02431	0.6
103.00352	1.9
111.00890	1.4
113.02446	23.7
115.00349	1.0
117.01931	2.0
129.01921	1.9
131.03406	0.7
137.95729	0.7
175.02417	2.7
193.03477	0.6
197.03220	0.7
205.07141	1.4
223.08304	0.8
231.05199	0.6
249.06131	5.2
255.23268	66.2
256.23584	3.7
267.07190	5.6
316.83228	0.7
487.29111	2.4
505.30115	100.0
506.30453	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	505.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17913	0.3
55.01879	3.8
57.03440	2.5
58.00584	0.9
58.03695	0.3
59.01379	16.8
61.98826	9.1
68.02374	0.3
68.99826	0.6
69.03460	0.8
71.01379	27.0
71.54288	0.4
72.01697	0.4
72.99314	1.4
73.02941	12.5
74.02399	0.3
75.00869	1.0
78.19303	0.4
83.01380	7.1
85.02946	18.1
86.00103	0.6
87.00870	3.9
88.04047	0.7
89.02456	2.9
93.07092	3.6
95.01385	2.7
97.02945	0.9
99.00874	5.0
101.02439	23.7
108.80975	0.3
111.00880	3.4
113.02440	10.8
115.00360	0.5
119.03507	1.0
122.03841	0.4
123.04517	0.6
125.02439	0.9
129.01945	1.7
131.03505	0.3
132.03041	1.4
137.02417	0.5
141.01956	0.5
143.03493	1.1
147.02954	0.5
147.04576	0.5
151.84833	0.3
159.03001	2.5
159.04216	0.5
161.02499	0.5
161.04549	9.0
161.05898	0.5
173.04576	0.4
175.04080	0.3
211.17041	0.7
213.18510	2.6
227.16556	1.2
243.05717	0.3
255.05176	0.5
269.04477	0.7
270.04944	1.2
271.05115	0.7
284.06863	0.7
285.07422	1.0
286.07574	1.4
299.09357	1.1
300.09619	1.1
301.09790	1.7
327.25305	1.6
343.28488	4.3
344.28961	0.4
357.26450	11.2
358.26859	0.8
375.23856	11.3
375.28427	0.6
376.24292	0.4
414.29367	0.3
445.31836	1.4
469.31744	0.8
475.32858	1.1
487.19595	0.9
487.32788	1.0
505.33939	100.0
506.34174	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	505.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.40955	0.5
59.01377	11.0
61.98824	2.6
69.03460	2.1
69.67786	0.6
71.01382	5.8
71.53448	0.8
72.99305	0.9
73.02943	3.0
81.03456	3.1
83.01389	3.2
85.02956	3.6
87.00886	4.5
89.02440	4.7
93.03446	1.6
95.01366	0.6
96.95994	1.5
96.96997	0.7
97.02962	1.4
99.00876	3.4
101.02435	4.3
106.66507	0.9
107.05000	0.6
109.02971	1.1
113.02428	3.7
119.03493	0.6
119.05011	1.2
121.02930	1.0
123.04568	1.2
125.02444	100.0
126.02770	1.8
131.03506	1.1
133.02948	1.4
133.11899	0.6
135.04530	1.6
137.02432	0.7
138.05560	0.7
139.04005	2.1
143.60216	0.6
147.04448	0.8
149.02422	2.4
149.04558	9.8
149.05794	1.1
159.04448	0.9
161.02441	4.9
161.04469	1.1
163.04022	1.6
167.03505	1.0
168.00665	1.2
173.04564	0.7
173.25986	0.6
179.03404	1.1
179.05592	0.8
191.05626	1.9
203.05602	1.0
205.01350	0.6
223.07698	0.7
225.05611	1.1
226.06302	0.7
227.07076	0.6
251.07187	1.1
252.07967	0.6
254.05901	0.7
255.06490	0.9
269.08282	1.6
297.07721	2.7
311.05701	0.6
311.09357	0.7
313.07166	0.8
327.08511	0.7
341.06821	0.9
343.10376	1.7
381.06335	1.0
404.89984	0.7
417.08234	0.7
419.12079	6.8
461.07077	1.2
461.12921	16.7
462.13821	0.9
504.62500	0.9
505.14972	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	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01376	4.3
69.25658	2.2
69.26081	1.6
71.01381	3.2
73.02927	1.0
79.99063	0.4
85.02940	2.3
87.00864	0.8
89.02427	1.0
93.03455	1.0
95.01373	0.7
98.19839	0.8
99.00854	0.7
101.02428	1.2
108.43851	0.4
111.04509	0.4
113.02429	4.0
125.02464	0.5
137.02467	0.5
145.02858	0.5
158.03674	1.4
160.15392	0.4
161.02388	0.6
170.03777	0.9
173.04573	0.5
185.02425	4.0
186.03178	1.8
197.02412	0.5
198.03142	1.5
213.01923	0.7
214.02722	3.8
226.02670	1.4
237.05513	1.4
241.01343	0.9
242.02197	4.1
255.02869	0.6
259.02484	0.6
265.05103	0.5
269.04434	0.6
270.01669	16.0
270.04605	0.9
271.02225	0.7
284.03210	1.1
285.03940	0.5
297.00455	0.5
298.01160	86.9
299.01486	4.8
301.07196	0.9
309.03992	0.5
312.02545	0.6
313.03516	100.0
314.03824	5.6
323.01801	1.0
327.04956	1.8
328.05853	73.5
329.06171	3.7
341.06415	0.6
342.07532	0.9
343.08188	82.4
344.08527	5.0
353.06491	0.6
361.29535	0.6
373.25925	7.6
382.31873	0.5
385.09009	2.3
504.32434	0.6
505.26724	1.9
505.33282	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77790	0.8
56.43179	0.7
59.01367	3.6
61.98819	0.8
62.23857	0.8
65.88210	0.9
70.76945	1.6
71.01384	0.9
77.36591	0.8
78.95900	21.0
92.31709	0.8
96.96948	1.2
136.60498	0.9
142.84868	0.8
152.99565	21.5
168.04282	1.3
171.00728	2.2
184.01109	0.8
224.06888	3.2
225.07288	1.3
227.03192	2.8
245.04260	1.9
277.21701	100.0
278.22061	7.0
279.23242	21.3
280.23615	35.2
504.30560	1.7
505.25500	35.4
505.31546	11.6
506.26096	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3014
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03443	2.2
59.01155	1.1
59.01380	10.7
61.98812	3.0
70.46614	1.2
70.46932	2.6
71.01380	9.7
72.99306	5.6
75.00487	1.0
75.00873	14.1
79.05515	1.0
85.02949	15.2
87.00881	6.1
89.02441	3.1
93.05488	0.9
95.01382	4.1
96.96011	1.4
99.00883	7.8
109.74892	1.0
113.02451	19.7
117.01958	1.3
129.01910	1.2
152.06856	1.0
175.02460	2.3
182.48201	0.9
208.94662	0.9
231.04994	1.5
249.06160	15.1
255.23277	84.3
256.23611	3.0
267.07129	2.5
356.25439	1.4
385.07648	1.0
487.29105	3.1
505.30072	100.0
506.30502	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	504.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62722	0.2
59.01381	1.3
61.98829	100.0
70.52583	0.3
70.52917	0.4
72.47565	0.2
74.11326	0.2
74.71918	0.2
75.00919	0.3
85.02959	1.3
86.03320	0.4
87.00893	0.4
101.02479	0.3
133.31902	0.2
134.03743	0.2
138.05566	0.2
140.08044	0.2
142.89580	0.2
147.03018	0.2
149.06093	0.3
150.00232	0.2
175.04004	0.3
191.01973	0.5
193.05072	0.4
195.05235	0.3
220.83990	0.2
330.88812	0.3
346.34387	0.2
368.62308	0.3
427.99631	0.2
504.18091	0.7
517.28705	0.2
534.94128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22709	0.2
57.03448	0.3
59.01366	0.9
60.12966	0.2
60.60708	0.2
61.98828	100.0
69.30731	0.9
69.31146	0.6
71.01385	0.4
71.96610	0.2
85.02966	0.7
86.03307	0.2
87.00905	0.3
88.81878	0.2
113.02490	0.2
147.04405	0.2
191.02032	0.5
191.05551	0.2
228.45837	0.2
333.03662	0.2
417.25519	0.2
504.17880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43480	1.0
58.13282	1.3
59.01369	6.1
61.98827	4.2
64.45617	1.0
71.01380	5.1
71.53198	1.8
73.02960	1.8
78.95889	1.9
83.01379	1.4
85.02956	2.6
87.00876	12.1
89.00710	1.1
89.02427	3.2
93.03466	2.6
96.95985	3.2
99.00867	1.4
101.02435	1.4
101.03941	1.7
109.02908	2.8
112.30030	1.2
113.02469	2.1
119.05012	9.8
123.04522	1.6
125.02456	2.8
129.03458	9.7
130.04254	2.6
131.05002	1.6
135.04494	1.5
141.86169	1.2
145.03044	1.2
146.03775	2.6
147.04512	100.0
148.05058	3.6
149.04697	2.8
149.06067	47.9
150.06381	2.2
153.01962	2.5
159.04478	4.8
161.02438	4.1
163.03978	3.0
173.04530	1.9
175.02480	2.3
179.03514	1.5
181.05107	2.3
183.04436	1.3
185.02425	2.3
189.01691	1.3
191.03503	32.1
191.05374	2.0
193.05045	21.2
194.05367	1.4
197.06114	1.6
203.03516	2.0
209.06044	1.9
213.05615	1.6
221.09502	1.7
223.07774	1.4
225.05536	3.9
227.03430	1.8
229.01326	1.6
235.02446	2.2
236.04837	1.1
237.01762	2.2
237.04013	35.5
238.04295	1.9
239.07158	3.0
241.05049	3.0
243.03020	1.3
249.05576	1.2
251.03474	1.6
253.04970	1.5
254.05800	2.8
265.05136	1.7
265.08511	1.8
267.04901	18.6
267.09509	1.7
269.04626	1.6
270.05258	3.9
275.12982	1.1
283.09787	1.8
285.07669	6.5
291.06586	1.6
293.08118	4.7
306.72720	1.2
309.07724	2.4
311.05887	2.0
311.09171	6.3
311.12402	1.2
327.08640	4.3
337.07199	3.5
343.10263	1.6
354.17862	1.5
355.08017	4.5
357.06281	2.8
381.05835	3.0
417.08212	4.5
425.05258	1.6
443.06143	4.1
461.07324	5.1
487.05389	2.4
505.05722	2.8
505.15826	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03458	4.6
59.01380	100.0
59.31104	0.8
60.01718	1.1
61.98822	2.0
69.03459	1.5
69.50755	2.4
69.51180	2.8
71.01377	22.3
72.99301	0.8
73.02950	5.7
73.03308	0.9
83.01395	7.1
85.02945	15.6
85.06570	1.6
87.00882	3.0
87.04518	1.8
89.02457	3.2
93.03443	1.5
93.07118	1.7
95.01397	2.3
97.02936	1.3
99.00882	4.7
101.02437	11.8
111.00904	1.1
112.01685	1.2
113.02444	14.0
119.03535	1.1
125.02469	1.5
130.13808	0.8
137.02493	0.8
143.03468	1.5
143.50024	0.8
146.31625	0.9
149.06070	1.2
159.02930	1.3
161.04555	4.7
173.04543	3.3
178.78276	0.8
193.05009	1.4
209.15475	1.8
229.18051	4.1
284.03320	1.0
313.23932	1.3
329.23416	1.1
331.36285	0.8
341.27313	1.0
346.05344	0.8
351.15228	0.8
359.28076	3.5
371.19736	0.8
371.24329	2.2
373.22363	5.3
391.23410	3.0
399.23813	17.8
400.24258	1.8
417.25034	5.5
459.21954	1.7
503.12396	1.6
503.32303	39.9
504.14352	0.9
504.32724	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	503.119
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03438	1.0
59.01376	20.3
65.00288	2.2
71.01372	6.2
73.02936	2.2
76.71622	1.1
82.49140	1.1
84.44228	1.0
85.02932	4.6
86.08990	1.1
87.00858	4.7
89.02443	2.3
93.03441	4.3
95.08526	1.0
99.38680	1.2
101.02447	2.7
108.79470	1.1
113.02424	2.7
123.94224	1.3
133.02979	1.4
136.97203	1.3
136.98776	9.6
137.02425	3.8
137.55716	1.1
143.04974	2.2
147.04526	1.4
149.06012	1.5
155.03424	1.1
155.04970	1.6
159.04504	1.9
161.99580	1.8
163.00330	2.5
168.03879	1.4
173.04544	2.0
183.04488	3.3
187.03925	1.4
190.99814	2.8
191.02003	1.6
191.05606	1.4
199.03976	4.3
200.04752	4.6
211.03972	6.1
212.04710	1.8
227.03456	14.5
228.04184	2.3
239.03549	5.0
240.04237	9.3
253.05054	1.6
255.02962	54.1
256.03424	4.6
268.03693	3.0
269.04562	1.6
280.03632	2.2
281.04471	1.8
283.02441	100.0
284.03195	66.6
285.03665	6.8
297.04260	2.5
298.04776	42.3
299.05566	99.0
300.05930	6.4
301.58060	1.2
306.05267	2.4
308.02908	1.9
311.09201	1.7
313.07062	1.9
321.23419	1.4
323.05521	2.0
329.23151	1.7
341.06625	24.5
443.09970	1.7
488.09668	9.7
489.09787	1.6
503.11890	51.0
504.12381	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90018	1.0
51.01880	1.2
55.01865	1.5
57.03440	3.6
57.04115	1.1
59.01374	25.7
61.98816	1.6
64.93844	1.0
67.01889	1.2
69.03432	1.2
71.00318	2.2
71.01379	19.2
72.99338	1.4
73.02947	2.3
78.95905	1.5
83.01373	11.2
85.02941	13.8
85.57275	1.1
87.00884	5.4
88.98792	1.2
89.02450	15.5
93.03453	23.9
95.01393	1.5
96.96026	3.0
96.96976	2.4
99.00880	1.9
99.04549	1.1
101.02442	14.0
107.05075	2.0
108.02144	2.6
111.00864	1.8
111.04495	1.8
113.02463	6.3
113.56228	1.3
117.03467	3.4
119.03554	6.2
119.05000	18.8
119.05791	1.2
121.02933	1.1
121.06576	1.4
123.04548	1.5
131.05016	2.7
133.02988	2.4
133.06587	37.5
135.04529	5.8
137.02524	1.7
143.03511	1.6
145.02931	2.3
145.06612	3.2
147.04509	25.9
148.05305	1.2
149.06065	17.0
152.01141	4.7
157.06557	2.8
160.05292	1.5
161.02423	2.6
161.04556	3.4
161.06081	4.9
161.55652	1.0
163.03929	1.7
163.07623	5.4
165.05551	7.6
167.03447	8.0
171.04504	2.3
171.08101	1.4
172.05350	1.7
173.04544	5.9
173.05865	1.2
175.03943	2.9
175.07646	5.1
177.05548	28.3
179.03616	1.7
179.05493	2.5
187.07635	4.3
189.05551	32.1
191.01939	4.1
191.03534	2.0
191.05569	2.3
193.05019	8.3
199.07660	4.5
205.05045	13.0
207.06554	12.6
209.02998	1.3
217.08611	9.8
221.04526	100.0
222.04810	4.3
243.06538	8.2
261.07620	1.5
263.05792	1.7
279.08762	5.3
297.09671	2.3
305.06506	2.0
323.07751	2.0
329.08786	1.4
341.08878	1.7
441.13950	7.9
459.14883	8.7
485.12881	16.6
486.13638	1.7
503.14056	68.5
504.14404	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	503.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24866	0.6
56.52925	0.6
57.03463	1.1
59.01379	22.2
61.98841	1.5
65.00317	3.7
69.03471	1.1
69.24147	4.2
71.01376	6.8
73.02969	2.5
75.00869	1.3
79.88714	0.5
83.01402	0.9
85.02952	6.0
87.00893	2.0
89.02429	3.9
93.03473	1.8
95.01353	1.1
96.52759	0.5
97.03001	0.7
98.20721	1.0
99.00911	2.1
101.02409	2.7
101.06131	1.3
108.02174	0.7
109.02940	0.6
111.00936	0.7
113.02454	5.0
119.03511	0.7
119.05038	1.0
121.02966	1.1
123.04553	1.2
125.02452	3.0
128.89503	0.6
129.37326	0.7
129.92389	0.6
129.95645	0.5
131.03511	0.7
132.02194	1.2
133.02956	1.0
135.04495	1.1
136.98798	14.6
137.02470	0.8
143.05066	1.0
147.04510	1.6
149.04556	2.1
149.06058	2.0
150.03256	1.1
155.04953	1.4
155.51721	0.6
159.04465	1.4
161.02490	1.1
161.04642	0.7
161.99683	0.9
163.00385	1.1
164.61395	0.7
164.68576	0.5
165.05486	1.0
171.04628	0.9
173.04587	1.6
173.05968	0.8
175.07726	0.7
183.04526	2.7
187.04033	0.8
190.06459	0.9
190.99887	2.2
191.01996	1.4
191.05571	1.8
193.02516	0.5
193.05113	1.0
199.03969	1.9
200.04768	3.3
205.08614	0.6
209.03030	1.3
211.03937	3.5
212.04871	0.7
227.03510	6.0
228.04161	1.4
239.03470	2.4
240.04245	6.2
249.05716	1.0
253.05040	0.9
255.02971	59.3
256.03433	4.7
267.06555	1.0
268.03787	1.2
269.04419	1.3
280.03641	1.1
281.04443	1.9
281.07925	0.6
283.02457	100.0
284.03217	61.9
285.03748	5.4
296.03088	0.8
296.10495	0.8
297.03973	1.7
298.04810	15.6
299.05582	96.0
300.05930	4.6
308.03351	3.3
308.06570	0.9
309.04025	1.4
311.05637	0.7
311.13046	1.4
323.05502	3.0
326.04013	0.7
341.06705	4.1
341.10281	1.3
341.13873	5.7
342.14291	0.7
365.06622	1.0
428.07361	2.6
443.09781	23.3
444.09909	1.6
488.09653	6.5
489.09723	0.8
501.07626	0.6
502.31039	1.7
503.11856	36.9
503.19620	2.4
503.31396	0.8
504.12347	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89902	0.5
59.01387	0.6
61.98828	100.0
66.41940	0.5
67.05452	0.5
71.53896	0.6
73.17020	0.5
78.95893	0.8
84.77965	0.5
90.48853	0.5
95.16026	0.4
106.17545	0.4
112.61628	0.5
168.78120	0.5
200.45348	0.5
291.13885	0.7
389.29050	0.5
514.64069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52857	0.3
59.01379	8.2
60.01699	0.4
61.98832	0.7
69.20726	3.1
71.01375	2.0
71.05035	0.4
73.02940	0.8
77.13221	0.3
83.01379	0.5
85.02958	1.3
85.97785	0.3
87.00863	0.8
89.02433	0.6
92.50496	0.3
93.03476	0.4
97.06564	0.4
98.20663	0.7
101.02445	1.2
102.52178	0.3
106.08828	0.3
111.96660	0.3
113.02459	0.6
123.04492	0.4
131.03563	0.4
137.02409	0.6
145.02875	0.3
147.04448	0.4
149.06091	0.5
160.01575	0.4
161.04611	0.5
163.03951	0.3
173.04581	0.7
173.86304	0.3
174.03174	0.4
179.64539	0.4
180.90446	0.3
185.02478	0.6
186.03149	0.5
188.01048	0.3
197.02480	0.5
198.03178	1.5
199.03773	0.3
200.01221	0.4
201.01929	0.8
212.01089	1.2
213.01903	2.0
214.02707	1.8
225.01945	1.1
226.02708	1.3
227.03563	0.5
228.00594	0.7
229.01411	1.1
240.00642	1.3
241.01450	2.9
242.02216	2.6
243.02631	0.4
252.00636	1.2
253.01460	1.5
254.02180	1.1
255.02937	0.9
255.11339	0.4
257.00809	0.7
268.00128	3.0
269.00870	4.9
269.04486	2.3
270.01862	1.5
281.00864	1.0
282.01733	1.2
283.02435	0.7
284.03247	3.5
284.06882	2.4
295.99612	6.3
297.00394	6.9
298.01138	4.0
299.01950	0.7
299.05594	1.6
299.09299	2.6
300.09756	0.4
301.04852	0.4
310.01248	0.6
324.96027	0.5
324.99890	9.7
325.03577	0.7
326.00650	67.0
327.01312	10.0
329.23288	1.0
338.97827	0.6
341.02966	7.3
351.98605	6.3
352.99292	5.3
354.00110	15.3
354.76208	0.3
355.00494	0.9
367.00888	8.2
368.01422	0.6
371.05545	0.4
371.24347	1.3
393.21823	0.4
415.04492	1.1
460.04443	3.3
471.03448	0.7
475.06647	2.4
485.05014	0.4
488.03799	1.0
503.06168	100.0
503.31964	1.4
504.06512	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30315	0.5
55.01872	1.4
57.03450	4.6
59.01379	17.3
60.01692	0.6
61.98823	1.5
65.00304	1.4
69.03447	1.6
71.01007	1.0
71.01379	14.4
71.54490	0.7
72.99306	1.6
73.02941	4.1
73.54163	0.6
75.00864	1.1
79.72117	0.6
83.01384	4.8
85.02950	10.2
85.27055	0.5
87.00887	2.8
89.02438	2.3
93.03463	5.5
93.07105	2.9
95.01394	2.1
96.96001	0.8
97.02939	0.9
99.00874	2.6
101.02443	8.8
106.00608	1.2
111.00857	1.1
111.08215	0.9
113.02444	8.6
115.04018	0.6
117.03467	1.0
119.03468	0.9
119.05029	1.5
121.02872	0.6
124.01733	0.6
125.02426	1.5
129.03593	0.5
132.02174	3.5
133.03000	0.8
134.00078	1.2
135.00838	0.8
137.02423	2.6
141.01840	0.6
141.03473	1.4
143.03465	1.6
143.05019	5.7
143.10800	1.6
145.02916	1.4
149.06119	1.3
149.99635	1.2
151.00259	0.7
154.04324	0.7
155.05000	5.0
158.73746	0.6
159.02977	0.8
160.98737	0.9
161.04541	5.4
161.99590	3.2
162.03169	1.6
163.00366	2.3
163.03954	1.1
167.04996	2.1
171.04544	4.0
173.04535	3.3
173.05956	1.4
175.04100	0.7
176.95186	0.6
177.05621	0.7
179.03474	1.0
182.03801	1.4
183.04494	6.9
184.05099	0.6
189.99129	0.9
190.99869	10.8
191.01691	1.3
191.05618	1.2
192.00185	0.6
193.05161	1.0
195.04504	1.6
195.13745	0.8
198.03192	0.6
199.04013	10.4
200.04724	0.7
205.03485	0.7
207.03001	1.5
209.02664	0.8
211.03999	10.2
212.04572	1.0
218.67661	0.5
221.04553	1.0
222.05260	2.2
226.02628	1.1
227.03496	29.5
228.03932	2.0
228.53523	0.6
229.18071	5.2
237.01892	1.9
237.07671	1.6
239.03503	14.1
240.04262	4.0
241.04984	0.6
254.02158	1.4
255.02980	25.1
256.03479	2.9
267.02963	1.5
271.09744	0.9
282.01663	2.6
283.02472	73.5
284.03220	44.1
285.03738	3.5
298.04843	4.8
299.05594	71.1
300.05890	4.2
313.03406	1.1
329.23212	2.6
355.25497	0.6
359.28110	1.2
371.24646	1.0
373.22305	6.8
391.23383	4.7
428.07230	0.8
443.10388	0.7
443.19012	0.9
443.29977	0.6
488.09564	71.5
489.09894	6.6
502.34488	0.7
503.11938	100.0
503.32303	22.6
504.12378	8.7
504.32730	1.1
518.52405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03445	12.8
59.01378	15.8
61.98825	1.2
63.40405	0.5
67.01882	1.4
67.24712	0.6
68.99782	0.7
69.03446	2.6
69.66730	3.5
71.01382	6.3
72.99302	2.8
73.02941	2.0
75.00894	0.9
81.03460	0.9
83.01386	3.3
83.05038	0.8
84.02154	1.7
85.02946	100.0
86.03281	1.4
87.00872	5.2
89.02435	1.7
93.03455	2.7
96.04659	0.6
98.19958	1.3
99.00857	1.4
101.02426	1.9
103.00386	1.7
109.02954	1.1
109.96577	0.8
111.00871	2.5
111.04546	1.2
113.02464	2.0
117.01930	0.7
117.03436	1.7
119.05018	13.6
121.02930	0.8
125.02396	1.9
128.03535	0.7
129.01936	13.8
137.02420	1.0
145.02945	6.3
147.02991	18.7
147.04367	1.4
149.04588	1.3
149.06058	1.4
149.75130	0.6
152.01180	0.8
155.03563	0.6
160.01627	0.9
161.04533	0.9
163.03999	18.3
165.04071	0.7
173.00900	2.0
173.04524	5.2
174.60577	0.7
175.04015	1.1
177.05688	0.7
179.07129	0.7
185.00891	2.4
191.01962	61.7
191.05482	1.4
192.02271	1.2
193.05045	0.8
205.03580	1.1
207.17380	0.6
208.69164	0.6
209.03021	20.3
231.06532	0.6
249.05917	0.8
255.02914	0.9
283.19287	0.7
293.06848	1.9
297.11285	0.7
327.21750	2.2
337.05728	2.9
354.10788	1.2
355.06631	11.1
457.24661	0.7
500.29388	0.9
501.14755	2.0
501.19791	2.1
501.30704	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99296	0.5
55.01869	1.0
57.03442	2.2
59.01376	27.8
61.98823	2.2
66.02268	0.5
71.01378	10.4
71.05024	0.5
71.54855	0.8
72.99301	0.8
73.02932	3.4
75.00871	0.7
81.03458	0.8
83.01396	3.5
83.05030	1.2
85.02949	7.4
85.31649	0.5
87.00889	3.1
89.02457	2.0
93.03429	3.0
93.07096	1.4
93.34497	0.5
95.01379	1.7
97.02934	1.8
97.06609	0.7
99.00876	2.1
99.04506	1.4
101.02434	6.4
109.06578	0.8
111.00858	1.2
111.04515	0.7
113.02465	5.5
117.03497	2.0
119.05020	100.0
120.05367	2.4
121.02945	1.5
123.04481	0.7
125.02444	1.6
132.02167	4.8
133.02950	7.2
134.03748	5.9
135.04530	4.7
137.02483	0.5
143.03497	0.9
145.02927	2.3
147.04492	0.8
149.04404	0.6
149.06079	2.9
160.01649	22.6
161.02437	22.2
161.04578	2.0
162.02954	0.6
163.03999	47.0
164.04433	1.2
164.07146	0.6
173.04527	2.0
173.05946	0.7
174.03172	0.7
175.03986	25.1
176.04559	0.5
177.02028	0.7
177.05544	10.2
178.02687	1.1
179.03493	5.1
187.03984	0.6
191.05528	1.2
191.07120	1.7
192.07953	1.0
193.05043	3.7
205.03520	0.7
209.15417	3.0
215.07181	0.6
217.08682	0.7
221.04547	2.4
227.16602	1.3
239.81956	0.5
319.67996	0.5
323.07690	22.2
324.08075	1.5
327.21884	1.0
337.09268	24.7
338.09583	1.2
338.87695	0.6
353.19672	4.0
357.26584	0.9
369.23090	0.7
371.20602	2.7
389.21713	1.9
429.24414	0.8
441.28647	0.6
447.26691	0.6
465.17825	0.8
465.28735	0.8
483.18335	4.5
483.29715	0.7
501.13907	26.5
501.20090	3.2
501.31030	9.9
502.14200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
57.03445	12.8
59.01378	15.8
61.98825	1.2
63.40405	0.5
67.01882	1.4
67.24712	0.6
68.99782	0.7
69.03446	2.6
69.66730	3.5
71.01382	6.3
72.99302	2.8
73.02941	2.0
75.00894	0.9
81.03460	0.9
83.01386	3.3
83.05038	0.8
84.02154	1.7
85.02946	100.0
86.03281	1.4
87.00872	5.2
89.02435	1.7
93.03455	2.7
96.04659	0.6
98.19958	1.3
99.00857	1.4
101.02426	1.9
103.00386	1.7
109.02954	1.1
109.96577	0.8
111.00871	2.5
111.04546	1.2
113.02464	2.0
117.01930	0.7
117.03436	1.7
119.05018	13.6
121.02930	0.8
125.02396	1.9
128.03535	0.7
129.01936	13.8
137.02420	1.0
145.02945	6.3
147.02991	18.7
147.04367	1.4
149.04588	1.3
149.06058	1.4
149.75130	0.6
152.01180	0.8
155.03563	0.6
160.01627	0.9
161.04533	0.9
163.03999	18.3
165.04071	0.7
173.00900	2.0
173.04524	5.2
174.60577	0.7
175.04015	1.1
177.05688	0.7
179.07129	0.7
185.00891	2.4
191.01962	61.7
191.05482	1.4
192.02271	1.2
193.05045	0.8
205.03580	1.1
207.17380	0.6
208.69164	0.6
209.03021	20.3
231.06532	0.6
249.05917	0.8
255.02914	0.9
283.19287	0.7
293.06848	1.9
297.11285	0.7
327.21750	2.2
337.05728	2.9
354.10788	1.2
355.06631	11.1
457.24661	0.7
500.29388	0.9
501.14755	2.0
501.19791	2.1
501.30704	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
57.03446	11.7
59.01375	34.7
61.98820	2.2
65.81758	0.6
67.01894	1.4
69.03453	1.2
71.01377	10.6
71.54131	0.9
72.99293	1.7
73.02949	3.4
75.00852	1.8
81.03453	1.4
83.01379	2.9
83.04997	0.9
84.02162	3.2
84.23072	0.6
85.02943	100.0
85.88528	0.6
86.03293	1.0
87.00874	5.3
88.98745	0.7
89.02448	3.7
93.03450	6.6
97.02973	0.7
97.06586	1.0
99.00873	2.6
101.02431	4.7
103.00352	0.9
109.02983	0.8
111.00857	2.1
111.04488	1.0
113.02441	3.1
117.03429	1.5
117.24414	0.7
119.05012	12.0
121.02956	1.0
121.06597	1.6
123.04588	0.7
125.02428	3.6
127.07609	1.1
129.01944	14.7
131.03560	0.8
133.01422	1.3
133.06554	0.6
134.03764	3.6
135.04349	0.6
137.02425	2.2
145.02940	4.6
147.02989	16.1
147.04472	2.1
148.05086	0.8
149.04553	2.5
149.06041	2.1
151.07631	1.9
155.03574	0.9
160.01625	1.4
161.02374	0.9
161.04472	1.3
163.03999	15.2
165.04018	1.6
166.05063	0.9
173.00964	3.6
173.04539	20.8
173.06015	1.5
175.03978	1.7
176.04620	2.2
177.05432	1.0
187.07666	0.8
191.01961	60.4
191.05501	1.5
191.07121	2.7
192.02313	1.5
192.07773	2.0
193.05046	4.7
194.05338	1.7
205.03516	2.0
206.03778	1.0
207.06602	0.9
209.03003	28.6
210.03166	0.8
215.06999	0.7
235.06204	3.6
236.06422	2.6
237.06734	1.2
241.48033	0.7
284.03290	2.9
293.06772	3.3
299.05615	3.0
325.13828	0.8
327.21692	5.5
337.05807	3.4
352.86029	0.7
355.06616	13.5
356.07138	0.8
441.21362	1.0
457.20956	4.0
465.17560	1.6
483.18475	6.0
483.33273	1.7
500.18732	1.8
501.11664	1.1
501.19153	10.2
501.27054	6.7
501.34378	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	501.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69580	0.5
59.01375	14.5
60.99008	1.0
60.99302	15.9
61.98827	0.7
64.43511	0.5
73.02907	0.6
79.14670	0.5
85.02956	0.5
87.00867	1.0
88.98799	100.0
98.20663	1.5
101.02432	0.6
105.41496	0.5
110.05059	0.5
147.04620	0.8
204.06390	0.6
215.07138	0.8
346.73331	0.6
411.10800	0.6
460.66235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03438	1.3
59.01377	3.9
61.98824	10.2
67.56590	0.6
71.01383	2.1
71.54167	0.5
72.99300	0.6
73.02956	1.1
75.00854	0.6
85.02155	0.5
85.02954	8.3
87.00895	1.5
89.02440	1.7
89.03922	0.5
91.05512	0.9
93.03448	4.0
96.96006	0.5
99.00890	0.9
99.04531	0.8
101.02456	1.8
101.03980	1.8
103.05529	0.6
105.03468	0.9
113.02450	0.9
117.03484	0.7
119.05019	11.5
125.02341	0.8
129.01997	0.9
129.03456	11.4
130.04224	2.3
141.32635	0.5
143.05005	0.8
145.02959	2.1
146.03688	3.0
147.04518	100.0
148.01744	0.6
148.04825	2.5
149.06097	2.0
150.03352	0.6
160.01665	1.1
161.02415	9.0
161.04529	0.7
163.03987	2.6
165.05597	0.7
171.96729	0.5
173.04607	1.5
175.03961	1.3
176.01094	0.8
177.27788	0.5
189.01848	3.5
191.02007	1.5
191.03505	31.4
191.05594	17.5
192.03941	1.7
193.05060	1.1
193.24002	0.6
209.03012	2.1
211.03520	1.2
211.07736	1.0
230.99350	1.2
232.00095	3.4
233.00890	1.7
233.06660	0.5
235.02472	2.0
237.03868	0.7
265.08646	1.6
267.05057	15.0
268.05347	1.0
283.09668	0.5
307.10260	0.7
327.08704	10.1
501.15591	0.6
501.20441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03444	14.0
58.07823	0.7
59.01376	21.4
61.98823	3.4
67.01849	0.8
71.01372	7.6
71.53979	0.9
71.54362	0.8
72.99294	1.8
73.02926	2.6
75.00878	1.8
81.03450	0.9
83.01382	4.1
84.02148	2.2
85.02944	100.0
86.03282	2.0
87.00877	6.4
89.02445	4.7
90.08875	0.7
93.03459	3.5
96.96008	2.4
99.00890	2.7
101.02428	3.1
102.77168	0.7
111.00882	7.0
113.02437	2.5
115.00365	0.9
116.92820	0.8
117.03462	3.0
119.05022	40.4
120.05363	1.0
121.02946	2.9
125.02421	2.9
128.03543	1.8
129.01936	31.3
133.01440	0.8
133.06654	0.8
134.03740	1.4
135.04509	1.4
137.02460	1.1
145.02930	12.3
146.03374	0.7
147.02979	25.9
147.04460	4.0
149.04494	1.3
149.06078	2.9
160.01651	1.6
161.02386	1.8
161.04543	0.9
163.03993	59.4
164.04440	2.6
173.00896	7.9
173.04535	3.9
175.03986	2.6
176.12584	0.7
191.01959	33.9
191.03427	1.3
191.05658	2.3
192.02313	0.9
193.05037	3.4
195.04518	0.7
201.05992	0.7
205.03485	1.2
209.03001	8.9
211.03513	0.9
219.02968	2.0
231.06653	1.5
239.03250	0.9
249.06035	1.2
251.03433	1.4
252.04211	0.8
253.04997	2.1
253.13341	0.8
293.06509	4.3
297.04034	0.9
333.10074	0.8
337.05563	7.2
354.93979	0.7
355.06732	6.9
463.08963	0.8
501.15198	1.6
501.19760	1.6
501.30313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37260	0.4
56.18060	0.5
56.26374	0.4
59.01377	76.6
63.70570	0.5
65.20216	0.5
69.13983	2.4
69.14407	2.8
72.99317	1.1
75.07668	0.5
84.42181	0.5
85.48340	0.5
90.97128	0.9
92.41450	0.5
94.85205	0.5
95.60023	0.6
96.70358	0.5
102.70441	0.6
114.98923	0.5
132.98184	1.0
156.99925	0.8
157.03514	3.3
174.99242	22.9
201.02547	35.5
202.02673	1.9
215.04074	0.6
217.00281	100.0
218.00557	2.0
257.72870	0.6
279.78741	0.5
292.96243	1.5
331.85379	0.6
343.03879	2.7
359.01440	72.1
360.01645	5.2
500.98837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.51807	0.6
57.03435	1.4
59.01381	6.3
59.35070	0.6
61.98824	6.8
66.61874	0.7
67.01901	0.9
69.74464	2.7
71.01369	4.0
72.99312	0.8
73.02951	1.3
85.02948	13.8
85.51553	0.6
86.03290	1.2
87.00866	3.6
89.02445	1.7
89.03974	0.8
91.05507	0.6
93.03453	9.9
96.96024	1.8
96.96911	0.7
96.99274	0.8
101.02436	2.9
101.03967	1.2
105.03466	0.7
111.04520	1.6
113.02431	1.0
117.03439	0.8
119.05023	16.2
122.53290	0.6
125.02483	0.7
128.17661	0.6
129.01973	1.1
129.03462	13.7
130.04225	2.4
131.05046	1.3
133.02968	1.3
134.03664	0.8
137.02435	0.8
139.07628	0.7
140.91608	0.6
143.04979	2.9
145.02968	4.0
146.03719	3.6
147.04515	100.0
148.04903	3.2
149.06039	1.7
151.00385	1.1
152.92540	0.8
160.01636	0.8
161.02420	10.6
163.03986	5.7
164.07124	1.8
173.04564	5.3
175.04002	1.7
189.01920	3.5
191.01985	2.5
191.03511	34.4
191.05609	33.5
191.07361	1.2
192.03926	1.7
193.05035	1.7
206.08232	5.0
209.03003	2.3
210.03293	0.8
210.06508	0.6
211.03450	0.8
211.07716	2.4
222.53941	0.7
232.00114	0.6
235.02411	2.3
235.05910	0.8
237.09216	1.7
265.08823	3.9
265.11389	0.8
267.05066	18.0
267.07858	1.2
268.05490	0.8
279.12439	1.5
283.09695	1.3
308.17920	1.4
309.07602	1.7
327.08694	24.1
328.08890	1.2
392.35010	0.7
432.27475	0.7
439.21640	1.0
440.22159	4.5
441.22491	2.3
501.14258	6.2
502.14191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90871	1.3
59.01377	100.0
61.98818	1.3
66.23184	1.3
69.34277	3.1
69.34685	6.8
71.01384	5.1
85.02934	1.6
89.02438	2.2
101.02439	3.6
113.02435	5.7
119.03481	1.7
119.55672	1.2
134.56136	1.3
152.99518	1.2
153.60635	1.1
158.51346	1.0
161.04520	2.4
273.22150	1.4
277.21713	99.8
278.22031	5.1
291.23291	6.0
319.22708	3.1
499.30344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.29175	0.6
61.98841	1.0
72.16718	0.6
91.04026	1.9
98.20711	0.9
102.36285	0.6
103.36680	0.6
135.63947	0.6
279.19781	0.7
347.26135	1.0
365.26947	11.5
366.27213	0.9
456.55829	0.8
499.31268	1.2
503.53519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07393	0.6
55.45101	0.5
57.03422	0.8
59.01369	1.3
71.01388	1.0
71.52415	0.9
73.02943	0.7
78.43459	0.8
78.49632	0.8
83.05041	0.7
84.04536	1.5
86.06118	19.3
93.03461	2.2
98.02467	0.9
99.00896	0.7
99.62496	0.7
101.02459	0.7
111.04529	0.9
112.04041	37.5
114.05602	10.9
119.05016	1.2
126.01961	0.9
137.02391	0.9
144.06642	3.5
145.01337	0.7
158.04576	100.0
158.35768	0.7
159.03032	1.6
159.05002	1.6
163.03995	1.1
173.04541	5.4
174.04823	2.2
179.05450	0.6
180.51054	0.6
188.05647	2.5
193.07224	0.8
326.11691	1.0
342.85788	0.7
355.12473	3.3
405.51199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65231	0.3
57.03449	0.5
57.58614	0.2
59.01378	100.0
60.01716	0.8
60.87630	0.2
60.87951	0.3
61.98837	2.7
63.49543	0.3
69.03471	0.4
70.82158	0.5
70.82480	0.3
71.01383	3.5
73.02943	1.4
75.00889	0.6
79.95675	0.3
83.01398	0.8
85.02956	1.7
87.00880	2.2
89.02443	1.8
93.03487	0.4
93.16787	0.3
96.96053	0.7
97.02955	0.4
97.06544	0.3
99.00906	0.8
99.26950	0.3
101.02429	2.2
109.02970	0.3
111.00859	0.3
113.02473	1.7
117.03488	0.3
119.03553	0.3
119.05061	0.6
121.02988	0.3
123.04512	0.3
124.01701	0.3
125.02470	0.6
128.03575	0.5
129.01962	0.3
137.02455	0.4
141.09229	0.5
145.02989	0.4
147.04555	0.5
149.04666	0.4
149.06068	0.6
155.03485	0.3
161.04639	0.7
163.04044	0.5
163.07635	0.3
173.04558	0.7
173.05997	0.5
175.07710	0.4
178.02666	0.3
190.06155	0.4
192.36369	0.3
193.05061	0.3
199.07706	0.2
203.14235	0.3
209.82983	0.3
213.09552	0.3
215.07098	0.3
217.08861	0.3
218.09462	0.4
219.09737	0.7
220.10190	0.3
234.08865	0.3
245.11293	0.3
249.06303	0.6
255.03065	0.3
267.07187	0.9
299.02130	0.6
300.02594	0.4
327.16107	0.3
379.21204	0.3
396.20541	0.3
439.23615	0.4
453.14966	0.3
455.30206	1.1
467.18512	1.1
481.19611	0.9
499.21201	6.2
499.28171	0.5
499.32599	1.0
500.21228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38800	2.0
59.01373	19.8
61.98832	14.4
63.37527	1.8
66.31659	2.0
67.01903	3.6
69.03419	2.5
71.01385	17.7
71.53963	2.8
72.99269	2.3
75.00863	3.8
81.87541	1.7
83.04996	2.5
85.02444	2.8
85.02940	21.7
86.02498	3.8
87.00880	15.8
88.98788	3.8
89.02455	10.8
93.03461	30.1
95.01405	2.3
96.96003	9.9
96.96975	2.7
99.00857	5.7
100.01276	2.1
101.02430	6.7
108.04529	4.2
111.04485	4.7
113.02464	5.0
116.92827	3.9
119.05030	36.7
122.06138	15.4
122.18775	2.2
122.39541	2.0
125.02435	4.4
129.01982	3.2
133.05083	2.0
134.06088	7.5
136.07700	11.5
137.02440	6.2
146.06169	2.5
147.03055	2.6
147.05598	7.1
149.04767	6.9
149.05994	2.4
155.03476	3.3
162.05650	2.3
163.04013	38.1
163.06316	3.6
164.07156	16.3
173.04549	100.0
174.04805	2.5
174.09291	4.5
177.10283	9.6
189.06728	2.4
191.02046	9.9
191.05551	3.5
201.10307	12.2
202.08659	5.9
202.10535	2.2
205.03445	8.4
209.02968	8.7
211.08598	2.9
219.11389	14.6
220.09723	4.1
223.04543	5.0
225.10222	3.2
226.07246	2.0
227.08231	8.7
229.09770	24.8
240.09042	7.2
241.09747	6.8
242.10594	5.1
243.11357	15.7
245.09254	4.5
247.10828	9.8
249.02271	4.2
252.09004	5.5
253.09799	21.9
255.11459	5.3
257.09210	4.7
259.10818	14.6
270.10193	14.9
271.10861	52.6
272.11426	4.4
273.08713	3.6
273.12326	5.4
277.11899	45.7
278.12231	2.3
283.10846	26.4
300.11151	15.3
301.11932	54.5
319.12933	6.2
325.09271	5.3
381.16537	3.4
382.14795	2.6
433.16138	29.4
445.15912	4.7
451.17075	5.5
463.11224	3.8
463.17252	58.9
464.17902	4.7
481.18326	56.3
482.18777	3.9
482.72653	2.0
499.19809	73.6
500.19879	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
57.03446	6.1
58.00562	0.7
59.01376	36.9
61.98813	2.2
68.99801	0.8
69.61380	2.8
69.61790	2.0
71.01380	39.0
72.99283	3.6
73.02947	10.5
75.00885	1.5
78.95902	0.9
81.03438	1.5
83.01389	5.8
84.02192	0.9
85.02946	53.0
87.00893	4.5
89.02443	17.2
95.01393	1.2
96.96015	1.5
97.02949	1.8
99.00880	3.8
99.04457	0.8
101.01795	1.6
101.02441	25.0
109.02921	0.8
110.98496	0.8
111.00880	3.8
113.02444	9.6
125.02436	5.8
129.01932	7.1
131.03482	7.1
133.01401	3.1
139.21053	0.7
143.03465	2.2
147.02979	3.2
147.04611	0.9
149.04611	4.2
149.05998	5.1
159.03050	1.9
161.02452	1.7
161.04553	5.6
173.04570	1.0
185.00957	0.9
187.07678	1.3
191.01985	10.5
191.05580	1.6
193.05028	6.6
205.03531	6.7
209.03020	63.3
210.03163	1.2
220.50645	0.7
223.04599	2.9
233.06712	2.0
253.87706	0.7
277.73373	0.9
289.16388	1.1
293.08661	1.2
307.17599	20.8
308.17804	1.2
439.21811	100.0
440.22159	7.8
452.50494	0.8
499.14288	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	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03450	7.4
59.01378	31.9
61.98827	1.7
68.54037	1.2
69.03447	1.8
71.01373	14.3
71.54330	1.6
71.54723	1.4
72.99300	14.3
73.02945	3.1
75.00872	4.9
81.03451	11.8
83.01388	4.7
85.02950	35.5
87.00867	8.7
89.02432	3.6
93.03458	4.1
97.02943	1.6
97.06558	1.8
99.00876	10.0
101.02448	6.6
111.00882	9.6
112.10506	1.3
113.02428	8.0
117.01949	2.1
117.03461	5.7
119.03583	1.3
119.05005	2.8
121.02983	2.1
123.04514	1.8
125.02444	40.3
129.01949	22.0
131.03473	1.9
132.02188	1.7
133.02956	8.5
134.03740	56.2
135.04549	9.3
136.01674	2.2
137.02428	4.4
143.03476	8.1
147.04529	10.2
148.05286	7.6
149.06073	12.8
151.04001	3.4
153.05518	1.7
158.03732	7.4
159.04497	1.5
160.01674	13.3
161.02414	4.9
161.04555	4.9
161.05952	1.7
162.06880	1.7
163.04015	4.3
163.07634	3.2
173.04530	7.9
173.06085	7.5
174.03223	2.5
175.04002	22.6
175.07660	1.7
176.04779	34.8
177.01962	6.9
177.05473	1.9
178.02719	6.8
179.03465	3.8
179.07199	1.5
186.03207	3.2
187.02516	2.6
187.03979	2.9
187.07664	4.8
189.05495	1.4
191.01909	2.4
191.05597	2.6
191.07123	45.5
192.04279	4.1
192.07355	1.9
193.05046	68.5
203.07182	3.9
205.03513	68.5
205.08755	2.6
207.06604	20.3
213.05460	1.6
215.07063	6.1
216.07855	8.1
217.08694	3.2
219.06522	2.2
220.03728	6.9
223.04512	2.5
231.06534	1.9
232.04027	1.7
233.08156	1.6
234.08974	2.2
235.06097	100.0
236.06383	3.4
241.08714	1.9
242.09473	3.1
244.07338	2.9
254.26022	1.3
257.08392	1.3
265.07104	16.8
275.09113	1.3
284.03333	1.6
295.08228	16.2
323.13480	18.8
337.09235	3.4
353.08606	2.5
377.16211	1.6
402.07910	1.3
452.74088	1.3
463.16217	1.6
479.37390	1.5
481.17365	34.8
482.17456	4.7
499.18250	96.2
500.18591	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	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81854	0.3
54.28058	0.3
57.03444	0.8
59.01380	1.8
60.99297	0.6
61.98819	0.6
67.01885	4.3
68.02234	0.3
69.03459	0.9
69.74306	1.6
71.01379	3.2
72.99273	0.5
81.03456	0.9
83.05039	0.8
85.02959	1.2
87.00873	0.6
88.98784	1.1
89.02448	0.3
93.03455	24.4
94.03802	0.6
96.96010	0.3
98.19965	0.3
98.62873	0.3
109.02952	1.2
111.00873	1.0
111.04511	3.9
113.02462	0.5
113.83826	0.3
116.26772	0.3
119.05023	24.0
120.05350	0.8
125.02451	0.5
137.02437	4.2
143.05052	0.3
147.02979	0.3
155.03496	3.7
162.01382	0.3
163.04010	26.5
163.99387	0.8
164.04349	0.6
165.00188	0.6
173.04546	100.0
174.04880	2.6
177.03880	0.3
187.02234	0.3
189.00146	0.4
191.02016	0.5
192.95354	0.3
205.03276	4.3
249.02261	5.8
252.76666	0.4
271.10831	0.4
325.09259	3.7
337.09238	1.0
411.07703	0.4
439.18457	0.5
481.19037	0.4
499.14453	7.6
500.15256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
55.84152	0.6
57.03440	1.5
59.01383	3.4
60.99305	3.4
61.98837	1.2
67.01891	8.4
69.03455	3.1
70.40376	1.3
70.40710	0.8
71.01357	3.6
72.99308	1.6
73.02962	1.0
75.00864	1.2
81.03458	3.2
83.05003	1.5
84.14708	0.6
85.02947	12.1
87.00873	12.0
89.02454	1.3
93.03457	64.4
94.03801	1.8
99.00880	2.6
109.02901	1.0
111.04514	9.0
111.97633	0.8
119.05023	28.0
120.05383	0.9
125.02460	1.7
127.04039	1.2
129.01932	3.1
134.03737	1.1
143.03433	1.1
145.02956	1.8
147.02934	1.7
152.16649	0.7
155.03500	2.2
163.04002	21.7
165.04039	1.9
167.78450	0.7
171.03038	0.8
173.04533	19.1
187.16145	0.6
191.01979	2.2
191.05602	69.8
192.05954	2.1
205.03394	3.6
209.03021	6.2
223.04584	1.3
225.96684	0.8
249.02135	1.0
331.31940	0.8
337.09210	11.6
379.10373	1.5
499.14545	100.0
500.14868	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	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92031	0.5
55.01865	1.8
57.03447	12.4
59.01110	0.7
59.01380	9.1
61.98817	0.9
68.99802	0.7
71.01366	4.0
72.99305	3.2
73.02937	1.0
75.00876	1.4
81.03453	3.1
83.01382	2.1
84.02173	2.7
85.02944	100.0
85.53665	0.5
86.03281	1.4
87.00879	2.3
89.02404	0.7
92.01257	0.5
93.03460	1.4
93.67701	0.5
97.83421	0.5
99.00877	2.0
101.02419	0.8
103.00374	1.3
111.00850	1.7
125.02439	9.0
129.01933	8.5
130.08734	1.6
134.03737	4.4
135.04515	1.0
143.03484	1.0
147.02982	11.4
160.01630	0.6
161.04541	0.9
163.04071	0.6
165.04016	1.0
172.43835	0.5
173.00912	0.6
173.02472	0.5
173.03201	0.6
173.04463	3.8
187.07637	0.8
191.01953	35.0
205.03505	12.4
209.69252	0.5
211.86125	0.5
218.62766	0.5
221.62057	0.6
223.04683	1.3
299.05637	1.1
307.11893	1.5
352.17978	1.1
361.07224	0.6
437.18170	1.1
481.17154	0.7
493.51862	0.6
499.14490	1.7
499.21213	0.6
499.27740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33534	0.3
57.70984	0.3
70.42761	0.8
70.43153	0.7
75.00867	0.5
78.83357	0.4
83.05034	0.8
85.02949	1.0
86.21285	0.4
87.00838	0.6
88.85768	0.3
89.02419	0.5
93.03466	3.4
96.96024	1.3
111.04524	2.0
115.94955	0.4
119.05025	93.6
120.05354	2.8
127.04025	0.6
155.03491	2.6
157.76201	0.4
163.04004	100.0
164.04329	3.2
173.04536	5.4
191.05603	0.7
191.11288	0.4
205.03473	0.4
219.06358	0.3
275.16562	0.4
296.48560	0.4
325.09277	12.9
326.09726	0.7
335.04990	0.4
437.43057	0.5
499.14536	27.3
500.14923	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	497.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03442	3.7
58.00588	1.8
58.77409	1.1
59.01378	41.0
61.98835	8.5
69.03436	2.7
69.74886	6.0
71.01379	47.5
72.85069	1.0
72.99303	2.8
73.02950	10.9
75.00864	1.5
79.11389	1.0
81.03428	1.3
81.42828	1.1
83.01404	5.5
85.02950	23.1
87.00855	5.1
89.02444	29.8
91.18961	1.1
93.03465	1.8
95.01390	1.8
96.96010	1.7
97.02950	1.8
99.00892	7.0
101.02443	27.5
104.30261	1.2
108.04491	1.8
111.00887	5.1
113.02441	14.5
119.03512	2.2
123.04517	1.3
125.02454	5.9
129.01926	2.1
131.03519	7.7
135.04488	2.1
138.05621	2.6
143.03497	3.1
143.10770	3.8
148.03964	1.6
149.04559	10.2
159.02986	1.5
161.04562	7.5
166.05074	9.3
173.04526	1.6
175.03961	2.2
178.04918	1.6
179.05576	1.2
191.05621	4.4
192.04147	1.5
192.22037	1.3
193.05083	2.3
202.02742	1.3
205.03511	2.3
209.02994	4.2
210.04060	4.5
224.05733	1.2
233.06398	3.7
252.04900	1.3
260.03976	1.1
263.03360	1.3
273.03983	1.5
277.05048	2.2
293.08716	6.5
305.04504	3.1
305.16055	12.5
306.05386	1.3
316.03641	1.3
333.04010	15.3
357.14447	1.2
365.06485	3.7
372.09128	8.2
409.05820	1.7
437.20248	100.0
438.20566	7.2
459.14944	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	498.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03439	2.2
59.01072	1.3
59.01377	47.7
61.98829	100.0
66.18330	0.6
69.03432	0.5
71.01380	16.2
71.54131	0.5
71.54517	0.6
72.99310	2.5
73.02938	6.7
74.02464	0.8
75.00872	1.1
81.03445	1.3
83.01385	2.9
85.02954	15.3
87.00864	2.9
88.98814	0.6
89.02435	7.5
93.03474	1.6
95.01368	0.7
96.96055	0.9
97.02966	1.1
99.00874	2.6
101.02444	11.8
102.25268	0.5
103.00296	0.5
104.67047	0.6
111.00902	1.3
113.02457	5.8
119.03481	3.2
119.05075	1.0
125.02430	5.1
129.01915	3.7
131.03548	1.2
143.03497	2.3
147.03018	0.8
147.04559	0.6
149.04503	1.4
149.06082	1.2
161.04539	3.0
163.04015	0.7
173.04570	2.1
187.13443	4.7
191.01935	2.6
191.05663	1.4
193.05061	1.3
203.03319	1.0
205.03516	7.6
209.03029	11.4
219.08238	0.5
223.04604	3.7
307.17621	1.7
331.17615	7.7
349.18622	14.7
391.19730	23.7
392.20148	1.0
438.20651	0.7
439.21878	6.3
498.14038	1.1
498.22940	1.1
499.14499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11660	1.3
55.01877	1.5
57.03445	5.4
59.01377	14.9
63.68320	1.2
67.01893	1.4
69.38569	5.6
69.38991	4.8
71.01376	19.4
72.99335	1.4
73.02941	12.4
75.00860	1.6
77.14161	1.2
83.01380	6.8
85.02962	8.9
89.02447	2.9
93.03465	5.1
98.19850	1.4
99.00870	15.3
99.04494	1.6
101.02432	23.5
111.00861	3.7
111.04536	2.9
112.03951	1.5
112.98814	36.7
112.99602	1.9
113.02413	6.7
115.00384	2.8
115.03996	1.5
119.30522	1.4
129.01915	5.2
142.99835	7.5
143.03526	1.3
145.01390	1.4
157.41821	1.5
159.03076	1.6
161.04561	5.9
173.00883	11.7
173.04509	15.7
173.08083	3.1
173.09349	2.3
193.07161	56.0
277.69595	1.7
325.11374	100.0
326.11844	3.6
407.62808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03449	6.7
59.01380	7.5
61.66903	0.5
61.98823	2.0
66.91650	0.5
68.99826	0.6
70.68125	0.8
71.01384	12.7
71.01775	0.7
72.99288	2.5
73.02968	0.8
75.00874	1.7
81.03465	1.1
81.91975	0.4
82.78618	0.6
83.01388	0.9
84.02161	2.0
85.02950	66.5
86.03265	0.7
87.00887	2.5
89.02433	4.7
93.03438	0.6
99.00882	1.2
101.02448	1.2
103.00379	1.7
111.00871	1.1
113.02465	0.6
114.82822	0.4
115.00389	0.7
116.92641	0.5
121.27941	0.4
125.02452	5.4
129.01944	6.4
133.01454	5.8
135.04495	0.5
137.02461	0.6
143.03532	1.0
147.03012	5.5
149.06133	0.7
149.80186	0.5
154.13283	0.4
173.04538	0.7
187.07657	2.2
187.09251	0.5
191.01987	20.6
191.05615	0.9
192.02449	0.7
193.05028	1.0
202.06398	1.1
205.03535	8.9
209.03021	100.0
210.03360	2.0
213.09152	0.7
223.04579	1.8
224.78062	0.5
231.10289	0.9
263.12918	1.1
291.06494	0.6
293.17328	0.6
307.11884	0.8
416.41702	0.6
439.21924	1.5
499.14630	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	497.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03432	1.9
59.01380	35.6
61.98827	6.2
68.99820	3.9
69.03451	1.1
69.76951	1.5
69.77342	2.2
71.01377	42.9
71.05025	1.4
72.99303	1.7
73.02944	10.3
73.54235	0.8
75.00850	1.0
81.03444	1.6
83.01399	5.5
85.02956	18.9
87.00871	8.2
89.01945	1.4
89.02445	20.7
93.03446	2.7
94.98092	1.0
95.01386	3.5
96.95949	1.5
96.99299	3.4
97.02961	2.6
98.20628	1.5
99.00875	6.7
101.01800	1.6
101.02438	26.7
101.97516	0.9
108.70823	0.8
111.00877	6.1
113.02441	15.6
119.03468	1.9
123.04514	2.5
124.98805	7.7
125.02445	5.2
127.00357	1.3
129.01915	2.0
131.03508	7.4
137.02393	3.5
137.99605	1.6
138.05615	2.0
139.00356	3.8
143.03465	2.0
143.10730	3.0
145.03056	1.3
146.06146	0.9
147.02951	1.4
147.04451	1.2
149.02464	0.9
149.04512	6.9
149.05806	1.4
152.98291	38.2
153.01817	1.6
153.98985	3.5
154.98618	1.4
154.99863	28.4
155.10707	1.5
156.00645	35.1
159.03026	1.6
161.02403	1.6
161.04570	7.2
164.98247	3.1
166.04993	1.9
166.99809	1.4
170.99370	0.8
171.02979	8.2
173.04501	1.7
175.03983	1.0
180.97771	22.2
181.98470	0.9
191.05586	4.2
193.03279	0.8
198.98831	25.9
199.09697	1.4
199.99446	1.1
200.30830	0.9
202.02634	1.0
205.03397	1.1
209.02983	1.0
214.01065	2.3
223.04482	1.2
227.03458	1.0
233.06598	3.0
255.05098	3.5
293.08694	3.7
300.99915	5.0
305.11313	0.9
305.12067	1.0
305.16068	15.3
317.11441	1.3
318.05939	6.8
319.00873	1.7
333.03989	1.2
333.08020	2.0
343.02689	0.9
344.03867	4.5
362.04880	25.8
372.09149	1.7
377.07230	93.5
378.07486	6.6
437.20245	100.0
438.20618	5.6
450.73688	0.9
454.19794	2.3
482.06848	3.3
497.09198	35.9
497.22507	6.0
498.09326	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	497.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.9
56.65233	1.4
57.03441	2.6
57.99720	1.6
59.01379	31.9
61.98816	6.7
66.09044	1.4
69.03434	1.3
69.51338	1.3
71.01379	25.8
71.53473	2.0
72.99310	2.9
73.01363	1.3
73.02940	5.8
75.00860	2.1
78.03486	2.3
78.59922	1.4
80.05060	6.9
81.03471	1.8
83.01414	2.1
85.02944	13.0
87.00861	8.3
89.02442	24.5
92.61024	1.8
93.03442	1.7
94.06611	9.8
95.01386	1.7
96.08199	2.4
96.96006	2.0
97.01703	4.2
99.00888	6.2
101.02421	18.3
104.05061	2.5
106.02981	3.1
106.06628	4.4
108.04538	4.7
109.02942	1.7
109.05315	2.1
110.06132	1.6
113.02440	8.4
119.03506	4.6
120.04556	14.6
121.05338	4.4
122.06126	31.7
123.04459	1.7
124.07681	38.5
125.02406	2.9
129.01936	1.9
130.78571	1.7
131.03499	5.8
136.04063	8.7
136.07671	2.5
137.04819	2.1
138.05583	2.9
140.07199	4.1
145.02965	1.9
148.04044	77.4
148.07634	3.2
149.04555	14.2
149.05647	2.1
150.05598	25.8
152.07135	3.2
160.01669	2.4
161.04532	4.4
163.03946	1.9
163.77763	1.4
166.05078	24.6
168.06680	5.5
173.04556	3.2
175.04001	4.6
183.09367	1.6
191.05530	4.6
192.04280	2.5
193.05086	3.2
194.04533	3.6
197.07239	3.9
198.07948	2.8
199.12376	2.3
200.09552	7.0
202.02670	3.7
203.31171	1.8
210.04117	14.0
211.08705	3.2
212.09348	11.1
213.10287	5.1
215.08386	1.7
215.11880	27.0
216.12326	1.9
225.06711	23.3
225.10278	5.7
226.07390	3.8
226.11069	5.3
227.08281	2.6
227.11896	34.8
228.08875	2.4
228.12225	2.3
231.11414	7.5
239.08192	2.7
240.09006	30.8
241.09436	2.4
243.11363	18.2
245.13020	2.0
252.04942	2.3
254.10483	2.3
255.11388	61.2
256.11737	3.2
259.10931	1.9
261.05789	1.8
271.10928	2.9
272.11539	3.8
273.12430	86.2
274.12717	3.8
275.10471	4.1
277.05075	2.6
279.02994	2.3
287.10345	6.2
289.05014	1.9
291.13440	13.3
299.10321	14.7
305.04492	2.2
305.16000	6.5
315.13342	1.8
316.10669	12.7
317.11398	100.0
318.11752	5.7
333.03885	7.2
334.11731	5.2
335.12469	41.7
372.09421	17.3
377.02933	4.5
437.20343	47.4
438.20688	2.7
459.14899	4.7
460.91724	1.9
461.14944	1.9
479.16705	85.1
480.17093	10.1
497.17825	34.7
497.24667	2.7
498.18100	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	497.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63541	1.8
57.03418	2.1
59.01375	18.8
61.98830	6.6
69.75398	7.7
71.01389	14.4
72.99294	3.9
73.02966	2.9
75.68617	1.5
78.03480	1.8
80.05054	11.0
82.03009	1.8
85.02960	7.2
87.00873	8.9
89.02433	8.7
94.06633	7.7
95.03768	1.9
96.08202	3.1
96.96021	4.4
97.01669	2.2
99.00885	5.2
101.02431	6.4
106.02990	7.1
106.06610	3.8
108.04550	3.8
109.02936	2.6
109.05320	2.9
111.00864	2.3
113.02436	4.8
113.16740	1.6
117.05608	4.2
120.04552	16.3
121.02984	3.3
121.05347	6.7
122.03758	1.8
122.06123	33.9
123.04509	3.4
123.06950	4.1
124.04035	3.1
124.07682	50.2
130.99869	3.5
135.04550	2.3
136.04025	15.3
138.05635	4.8
140.07176	4.3
145.05122	3.0
148.04039	85.7
149.02426	3.0
149.04460	5.4
150.03226	2.5
150.05592	36.1
151.06046	2.1
152.07265	1.9
157.97189	2.0
163.03981	2.3
165.05519	3.0
166.05057	13.6
168.06651	7.7
179.03514	2.3
184.06207	2.3
186.69968	2.1
193.05161	2.0
193.22363	2.0
194.04495	3.4
197.07201	4.0
198.07959	2.3
199.12416	1.9
200.09479	2.9
210.04108	7.2
210.52817	2.5
211.03258	5.0
211.08766	2.6
212.09544	10.2
213.10257	4.2
215.08258	2.7
215.11812	10.7
225.03024	2.0
225.06665	7.5
225.10248	2.4
226.07434	5.1
226.11029	2.2
227.08272	3.4
227.11906	27.0
229.09715	5.0
230.08517	2.8
230.10503	8.4
231.11356	25.8
237.02649	2.2
240.09004	16.8
241.09763	8.6
243.03058	2.8
243.11374	18.5
244.12022	2.8
245.12886	2.1
247.02501	3.1
248.46463	2.2
255.11353	32.7
256.00125	3.3
257.09366	2.3
258.01590	2.8
259.11020	2.4
271.02335	4.0
271.10754	3.1
272.11636	13.5
273.12430	67.1
274.09653	3.2
274.12689	3.5
275.10422	17.3
275.13135	3.0
277.03439	4.9
287.10321	5.2
290.12888	2.4
291.13541	8.7
299.10419	16.3
316.10629	21.2
317.11395	100.0
318.11649	5.1
334.11588	12.5
335.12460	25.6
378.09280	2.2
404.73755	2.3
421.05664	6.9
422.06009	4.5
431.10303	4.7
437.15607	35.7
437.20917	3.0
438.15814	2.2
452.11389	4.8
452.61493	3.0
454.19702	2.1
457.10620	2.4
467.09970	5.5
467.60504	5.4
479.10336	4.7
479.16650	91.6
479.60355	2.3
480.16867	9.6
497.11096	34.2
497.17822	22.8
497.61227	16.6
498.18692	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	493.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28928	0.4
55.01872	0.5
56.44228	0.4
57.03440	1.1
58.00599	0.5
59.01374	100.0
59.88815	0.4
60.01716	0.7
61.93635	0.4
61.98829	6.2
71.01374	7.2
71.54120	0.4
72.99313	1.1
73.02943	2.2
75.00856	3.1
81.66777	0.4
83.01389	0.9
85.02934	5.6
85.03388	0.4
87.00867	2.8
89.02439	4.2
89.02853	0.4
93.03448	1.0
95.01385	0.6
96.96004	0.6
98.53725	0.4
99.00896	0.6
101.02435	4.5
113.02439	2.9
119.03515	1.5
119.05066	0.8
125.02447	0.7
129.01958	0.5
131.03531	0.5
134.03732	0.6
137.02455	0.7
143.03514	0.8
147.04570	0.6
149.02484	0.4
149.04648	0.4
149.06068	1.0
150.03194	0.4
155.10818	0.5
159.03062	0.5
159.04536	0.4
160.01694	0.5
161.02461	0.4
161.04527	2.8
163.04041	0.9
165.05577	1.0
173.04527	1.9
175.03999	1.0
179.05659	1.3
186.92842	0.4
189.01862	0.5
190.03323	0.5
191.02013	1.4
191.05748	0.7
193.05109	1.3
198.36395	0.4
203.03514	0.4
209.03078	1.7
213.85133	0.4
229.18175	0.5
271.19250	0.7
321.15503	0.6
329.10400	1.1
345.22845	0.6
361.22452	0.5
373.22198	2.6
391.23236	2.7
427.68484	0.4
433.24393	14.7
434.25113	0.8
461.11111	1.4
493.12341	1.0
493.18701	1.5
493.30841	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	494.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47110	0.4
61.98822	6.2
70.54020	1.0
70.54417	0.8
78.95900	45.8
81.61903	0.4
96.96948	4.6
98.19926	0.5
102.24782	0.4
150.98000	1.6
152.99574	100.0
153.99919	0.9
171.00642	4.5
185.69833	0.5
277.21759	0.9
320.82187	0.5
431.21979	29.1
432.22263	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	496.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.67092	0.4
70.67403	0.3
73.11263	0.2
78.95934	0.2
91.99459	0.3
96.96020	1.3
96.96987	0.4
125.02429	1.7
126.02798	1.2
127.02904	0.4
149.06056	0.3
183.70953	0.2
193.05138	0.5
222.22714	0.2
231.78981	0.2
235.92107	0.2
298.92657	0.2
328.69730	0.2
368.00922	0.2
376.54211	0.3
399.09073	0.4
430.76395	0.3
454.47354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81290	0.5
61.98830	5.6
69.25645	4.7
78.95901	44.6
96.96959	5.7
103.59520	0.6
150.98024	1.6
152.99577	100.0
153.99974	1.1
171.00627	4.0
265.12497	0.6
279.23154	1.0
433.23566	29.2
434.23694	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	497.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52650	3.0
57.03456	3.8
59.01368	28.1
69.29891	5.6
69.30302	19.0
71.01359	5.7
73.02930	6.9
73.25903	2.5
85.02940	4.4
85.21079	3.6
87.00874	81.8
93.03446	42.9
97.06580	6.7
101.02464	5.7
108.02199	2.9
111.00867	20.3
113.02459	4.4
119.04956	3.5
121.02949	5.8
123.04524	5.0
130.99857	11.6
145.02954	4.5
146.03728	9.3
147.04506	14.8
147.08101	3.2
148.05318	2.7
149.06042	7.8
155.97507	2.8
159.04492	5.4
160.05275	4.5
161.06046	10.9
162.06853	27.9
163.04034	3.9
163.07594	5.4
171.04456	10.7
173.06078	36.5
174.03253	3.2
174.06825	61.6
175.03979	4.3
175.07622	29.9
176.04765	11.2
177.05522	6.1
178.06331	3.8
181.01340	5.1
185.06032	7.6
186.06862	5.7
186.73856	2.9
187.07617	7.2
188.04778	5.8
189.05573	18.5
189.09161	7.6
191.03476	9.1
191.07118	5.5
194.05779	8.5
199.07635	10.4
200.08353	7.3
201.05527	3.8
201.09164	4.6
202.06273	4.0
203.07094	12.9
208.03716	4.9
211.07703	3.1
213.05502	7.2
214.06303	7.8
215.07059	13.4
217.05011	7.2
217.08667	19.3
218.09412	24.6
219.06616	12.7
219.10086	7.1
219.65816	3.0
225.09148	5.6
226.06387	10.0
227.07068	26.6
228.07825	7.9
229.08675	5.8
231.06633	7.8
232.07295	4.4
238.04665	4.0
243.06644	7.7
243.10242	10.8
244.11096	3.7
245.08156	3.6
250.12086	10.4
251.12886	4.0
252.07887	21.7
253.08580	22.8
257.08090	12.7
265.08740	5.7
266.09332	3.7
267.07327	6.1
267.10202	74.5
268.10956	27.8
274.08420	4.4
282.08990	12.1
283.09695	10.6
293.08203	6.1
296.90393	3.4
297.07721	7.5
300.09970	8.4
301.07162	6.5
311.09305	31.1
312.10025	44.7
313.10651	4.0
315.15915	7.9
326.07889	13.6
327.08456	8.0
329.14270	3.4
336.06345	16.5
337.07123	25.0
338.07602	7.2
344.08960	37.5
345.09116	3.3
356.08932	64.6
357.09360	7.2
371.07635	18.1
381.06137	4.6
382.06796	16.2
388.07837	13.5
398.50879	3.2
400.07892	24.9
437.18045	6.8
447.16721	7.9
461.13788	3.6
465.17630	29.0
479.14355	38.2
479.20398	4.9
497.14474	25.6
497.20239	100.0
498.20471	8.3
521.02533	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	493.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
59.01374	1.5
59.50720	0.2
68.99809	0.4
69.03450	1.2
69.87392	0.3
69.87798	0.4
71.01371	0.3
73.02937	0.3
74.92476	0.2
77.00562	0.2
78.95936	0.2
81.03452	3.7
83.01383	2.5
85.02939	0.3
96.96042	0.3
96.96923	0.2
101.02439	0.3
103.03982	0.6
110.84100	0.2
119.03480	0.4
123.04496	0.2
125.02438	100.0
126.02769	2.1
128.02570	0.2
134.26244	0.2
141.81506	0.2
163.06126	0.5
237.03975	0.2
255.05077	0.3
307.10373	0.8
422.91602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01377	100.0
60.01717	2.2
60.99325	0.8
61.01803	1.9
61.98828	10.0
71.01377	14.3
71.53718	0.7
72.99320	1.5
73.02953	4.0
75.00870	7.1
78.95912	0.5
83.01411	1.4
85.02945	7.2
87.00872	3.6
88.98812	2.4
89.02438	6.0
93.03469	2.3
95.01387	1.2
96.95982	0.5
97.06596	0.6
99.00894	2.4
101.02446	9.7
109.06610	0.6
113.02460	6.3
119.03475	2.5
125.02448	1.0
129.01947	0.6
134.03775	0.7
137.02475	0.7
143.03566	1.0
145.03027	0.5
147.04543	0.5
149.06026	1.1
159.02991	2.1
161.02545	0.9
161.04550	12.9
165.05672	0.7
173.04532	2.6
179.05679	0.6
182.83507	0.5
190.02742	0.7
191.05653	1.5
191.98743	0.5
193.05107	1.9
204.89586	0.5
271.19205	1.7
284.03442	0.5
407.47626	0.6
433.24387	37.4
434.24780	2.9
449.15900	0.7
493.12268	1.0
493.18777	2.2
493.30423	7.0
494.31528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1206
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
59.01382	5.4
59.47673	0.4
61.98835	2.5
65.00302	3.2
71.01390	3.3
73.02941	1.2
75.00857	0.7
77.37157	0.4
83.01411	0.6
85.02946	1.5
87.00880	3.6
87.04507	0.7
88.98812	0.7
89.02452	2.6
92.99809	0.8
93.03468	1.3
95.01383	0.8
96.95997	1.2
96.99320	1.7
99.00884	1.0
101.02432	1.2
111.00870	4.3
113.02440	2.0
117.03442	0.6
118.63844	0.4
119.05035	1.9
120.99373	0.9
125.02444	1.1
125.99567	1.0
133.06609	1.6
136.98795	4.5
137.02414	1.9
139.00377	11.8
140.01158	19.8
145.02911	2.0
149.02472	0.4
149.04524	0.4
149.06027	0.7
151.12929	0.6
155.03508	10.1
161.04608	0.9
161.06041	0.8
164.98283	56.7
165.99013	4.5
166.99823	0.6
173.04576	1.5
178.99918	0.5
181.01421	10.5
182.02145	0.6
182.99335	60.5
183.99878	2.4
185.00844	2.2
189.09044	0.5
189.99072	0.7
191.03444	0.4
191.05533	1.0
193.05113	0.6
197.00871	0.6
197.04637	0.6
198.01695	0.8
199.02422	3.2
203.07057	0.4
205.01311	0.5
205.05081	3.6
208.00061	0.6
208.18033	0.4
215.07060	0.7
223.02628	0.7
237.93031	0.5
255.06700	0.5
259.06049	0.8
277.07141	0.5
298.35788	0.4
307.94284	0.4
315.01605	1.0
319.13821	1.3
335.30017	0.5
387.06967	0.6
434.29343	0.5
439.12573	2.6
457.13687	1.3
460.08365	0.9
475.11191	1.3
478.09695	6.6
493.11960	100.0
494.12238	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	493.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19469	0.8
55.01875	2.5
57.03448	11.4
58.00613	0.8
59.01380	60.8
60.01701	1.0
61.98841	5.4
65.00330	0.9
69.63277	0.7
71.01382	19.7
71.54626	1.2
72.99314	2.3
73.02938	3.2
75.00865	3.2
83.01380	3.5
84.02159	2.6
85.02948	100.0
86.03284	1.2
87.00883	10.9
87.18037	0.8
89.02450	9.8
89.33853	0.7
93.03445	2.5
96.96011	0.9
99.00863	1.5
99.04479	0.9
101.02438	6.4
103.00373	1.4
108.02151	1.1
111.00880	1.5
113.02448	3.9
115.00349	1.8
115.69711	0.8
119.03497	1.5
121.02929	1.0
123.04536	5.6
125.02405	1.8
129.01942	9.6
130.99849	2.5
132.02959	0.9
133.01440	6.7
134.03717	1.0
135.04463	0.9
137.02385	0.9
147.03008	9.1
147.04243	1.2
149.04535	1.5
149.06061	2.4
161.02400	0.9
161.04518	2.1
165.03947	0.7
165.05568	1.7
167.00031	0.8
173.04573	3.3
175.03993	1.6
191.01987	31.3
191.05577	2.5
193.05104	2.4
197.09738	5.5
209.03027	93.1
210.03297	2.2
234.04562	0.9
284.02890	0.9
301.10724	2.5
345.22641	1.7
361.25989	1.9
373.22220	3.5
375.27319	1.5
391.23404	1.8
433.20755	3.7
433.28922	1.2
493.12973	7.6
493.30765	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	493.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19469	0.8
55.01875	2.5
57.03448	11.4
58.00613	0.8
59.01380	60.8
60.01701	1.0
61.98841	5.4
65.00330	0.9
69.63277	0.7
71.01382	19.7
71.54626	1.2
72.99314	2.3
73.02938	3.2
75.00865	3.2
83.01380	3.5
84.02159	2.6
85.02948	100.0
86.03284	1.2
87.00883	10.9
87.18037	0.8
89.02450	9.8
89.33853	0.7
93.03445	2.5
96.96011	0.9
99.00863	1.5
99.04479	0.9
101.02438	6.4
103.00373	1.4
108.02151	1.1
111.00880	1.5
113.02448	3.9
115.00349	1.8
115.69711	0.8
119.03497	1.5
121.02929	1.0
123.04536	5.6
125.02405	1.8
129.01942	9.6
130.99849	2.5
132.02959	0.9
133.01440	6.7
134.03717	1.0
135.04463	0.9
137.02385	0.9
147.03008	9.1
147.04243	1.2
149.04535	1.5
149.06061	2.4
161.02400	0.9
161.04518	2.1
165.03947	0.7
165.05568	1.7
167.00031	0.8
173.04573	3.3
175.03993	1.6
191.01987	31.3
191.05577	2.5
193.05104	2.4
197.09738	5.5
209.03027	93.1
210.03297	2.2
234.04562	0.9
284.02890	0.9
301.10724	2.5
345.22641	1.7
361.25989	1.9
373.22220	3.5
375.27319	1.5
391.23404	1.8
433.20755	3.7
433.28922	1.2
493.12973	7.6
493.30765	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	493.1194
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
57.82021	0.5
59.01365	1.8
61.98820	0.6
65.00316	3.3
69.36099	4.1
71.01363	1.5
76.95200	0.6
78.95889	6.5
79.51140	0.6
87.00854	1.0
87.04488	0.5
89.02430	2.5
92.99804	1.0
96.96008	9.9
96.96949	10.2
96.99278	0.6
97.02950	0.6
101.02441	1.1
111.00879	3.1
113.02444	0.7
119.39910	0.5
125.02434	2.4
136.98798	4.5
137.02441	1.7
139.00346	10.2
140.01140	18.0
149.06113	0.9
155.03474	9.0
164.01152	0.6
164.98270	55.6
165.99011	4.5
166.99829	1.1
178.99579	0.5
181.01414	10.3
182.02092	0.8
182.99324	60.2
183.99805	2.7
185.00859	2.3
189.99010	0.6
197.00938	1.4
198.01666	0.8
199.02455	3.9
239.05544	0.7
293.08871	1.4
315.01498	0.6
315.81909	0.6
345.29251	0.6
428.80063	0.7
433.13092	0.6
460.08569	1.2
472.57193	0.6
475.11169	0.9
478.09430	7.4
479.09882	0.6
493.11920	100.0
494.12262	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	493.0989
Annotation	Quercetagetin 3-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
59.01375	1.8
61.98830	1.1
65.00333	2.5
65.00641	0.3
67.01920	0.4
71.01390	1.0
74.47274	0.3
78.43541	0.3
83.01404	0.5
85.02940	0.6
87.00887	1.3
87.04531	0.4
88.98822	0.3
89.02450	0.8
91.01886	0.5
92.99815	0.6
93.03433	0.5
95.01389	0.4
96.96053	0.4
99.00896	0.5
109.02971	0.5
111.00882	11.7
112.55131	0.3
113.02459	0.7
119.01378	0.4
120.99361	0.7
121.55871	0.3
122.00051	0.4
124.01665	0.4
125.02468	0.8
125.99591	0.5
135.00885	1.7
136.98807	3.0
137.02481	1.0
138.03203	0.5
139.00378	52.3
140.01195	7.5
141.01973	1.8
147.00896	4.7
148.01668	1.3
149.02454	3.8
151.00415	0.5
153.01907	1.7
155.03513	8.3
164.01161	0.4
164.98293	14.4
165.99019	1.4
166.99870	1.1
167.03529	0.4
173.02446	0.3
173.04619	0.4
175.00349	1.5
175.04005	0.8
178.99850	2.1
181.01440	6.5
182.99358	4.7
189.99031	1.0
191.05663	0.4
199.04021	0.9
203.03528	1.1
208.66916	0.3
221.00980	0.5
225.59909	0.3
227.03551	1.2
243.02989	4.0
269.00708	0.4
271.02448	6.7
272.03018	0.6
297.00400	1.9
301.03638	0.7
302.06522	4.0
315.01453	38.1
316.01956	2.7
317.02985	3.1
329.03000	4.1
330.03607	1.4
343.04089	0.4
402.05783	0.4
449.10434	0.5
478.07495	3.8
493.09875	100.0
494.10236	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	493.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76288	0.5
59.01365	2.2
65.00335	0.6
68.27492	0.5
70.84076	0.9
70.84392	0.9
71.01381	1.2
72.07036	0.5
87.00864	1.8
112.05925	0.5
119.01406	0.5
130.99828	0.5
132.02983	0.8
136.98814	1.1
139.00352	1.2
140.01181	0.7
145.02962	0.6
146.03752	4.7
151.00357	1.3
157.06586	0.9
161.99628	0.5
163.00374	3.8
165.99014	0.8
166.99792	1.9
169.06564	0.9
190.29308	0.5
190.99864	15.9
192.00298	0.8
197.06047	2.2
198.06856	1.4
211.04007	0.8
213.05600	1.3
217.91620	0.6
223.04012	0.8
224.04767	0.8
225.05551	2.3
227.03563	0.8
231.38304	0.5
239.03380	0.6
241.04976	2.3
251.03465	1.3
252.04027	0.6
253.05072	5.6
254.01999	0.6
254.03323	0.6
254.05829	6.2
255.02954	1.7
268.03821	0.7
269.04367	2.9
279.03015	0.7
281.04639	3.3
282.01685	1.0
283.02496	7.1
284.02808	0.7
296.03210	1.6
297.04034	39.7
298.04791	73.2
299.05304	3.7
311.05640	1.1
312.06409	1.4
319.22507	0.6
330.03821	2.4
339.02179	0.5
344.05414	1.4
419.07596	3.0
434.10004	13.5
435.10501	1.2
449.12384	100.0
450.12698	9.5
493.11349	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01378	12.3
61.28202	0.8
61.98828	6.2
65.00321	1.3
68.99815	0.9
69.03436	1.1
69.28417	0.6
71.01367	5.1
71.53780	1.2
72.99290	0.8
73.02949	1.9
75.00874	1.5
75.13930	0.8
83.01392	1.1
83.18438	0.8
85.02944	2.0
87.00874	6.3
87.78326	0.8
88.04037	2.5
88.98775	0.8
89.02423	1.5
95.01418	1.5
96.96027	0.8
101.02443	4.3
108.02164	11.7
109.02937	3.7
110.00054	1.8
113.02431	1.9
113.65102	1.0
119.05019	1.3
121.02947	0.9
123.00855	1.7
123.04476	3.6
129.32278	0.9
130.99846	1.2
132.03009	3.6
133.03247	1.2
134.03767	0.8
136.98793	1.8
139.00331	3.6
140.01161	1.9
145.02922	3.1
146.03708	1.0
147.04515	1.4
151.00351	1.0
158.03746	1.4
159.04477	1.4
161.02498	0.8
163.00330	2.8
165.97841	0.7
165.99037	4.1
166.98433	1.2
166.99803	8.1
167.05078	0.9
168.00610	3.2
169.06595	1.2
171.04517	0.8
173.06047	1.4
175.03908	1.1
175.07640	0.9
181.06685	0.9
183.04582	1.1
185.00859	0.8
185.05983	0.9
190.99852	9.1
192.00592	2.8
193.05072	1.0
197.06062	2.5
199.04024	0.9
211.03969	1.5
216.27141	0.7
223.04048	0.9
224.04703	1.0
225.05547	3.4
226.06133	1.0
227.03340	1.6
231.06538	0.9
235.04045	0.8
236.04636	1.3
237.05559	1.9
238.06119	0.9
238.88321	0.8
239.03514	1.0
240.04271	0.9
241.04996	1.3
243.10132	0.9
243.50719	0.8
251.03458	2.6
253.05054	7.1
254.05583	1.0
255.02934	1.1
255.06636	0.8
265.05011	2.1
266.05746	1.8
269.04636	0.9
280.03574	1.0
280.27643	0.8
281.04510	1.7
283.02472	7.2
284.03339	3.7
297.04016	71.7
298.04694	23.7
299.05286	1.8
309.03983	16.9
310.04773	29.2
311.05536	7.9
325.07132	42.3
326.07416	3.1
330.03806	1.7
345.26392	1.7
369.06073	2.1
375.43051	0.9
376.06110	1.0
379.12692	0.8
387.04904	1.2
401.06677	1.4
402.07437	1.1
403.04492	4.6
404.05362	4.4
417.05746	1.0
418.06995	2.5
419.07672	26.6
419.13290	1.4
420.08148	1.2
431.07880	1.1
433.09253	8.7
433.27780	1.2
434.10001	23.9
435.10495	1.9
445.05679	1.4
449.12372	96.7
450.12711	8.1
450.28363	1.2
461.14325	1.9
475.10284	5.0
475.17966	3.0
492.29095	2.3
493.11386	100.0
493.29919	5.8
493.34875	1.7
494.11868	9.1
510.19977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03438	0.9
59.01375	100.0
60.01718	1.3
61.98834	3.4
69.03456	1.3
71.01376	9.5
71.54171	0.8
72.99303	0.9
73.02944	3.5
75.00870	2.8
83.01376	1.0
85.02947	4.7
87.00864	3.6
87.16370	0.6
89.02435	4.2
92.33158	0.6
93.03475	1.6
95.01391	0.8
97.02954	0.9
99.00848	0.7
101.02435	7.4
108.08167	1.0
111.00863	0.6
111.04525	0.7
113.02445	3.8
119.03535	1.6
119.05015	3.8
125.02415	0.9
135.00896	1.9
137.02420	0.7
143.03502	1.2
147.04544	0.6
149.04501	0.6
149.06161	0.8
152.07159	1.3
153.01970	2.6
153.07608	0.7
161.04590	2.4
163.04045	1.7
166.05138	2.6
173.04616	2.9
179.05649	1.4
185.00941	1.2
189.01941	0.9
191.02008	0.8
191.05641	1.1
241.13351	0.7
251.03580	0.7
263.16599	0.6
269.04510	0.6
269.17612	1.4
281.04727	0.8
286.64401	0.6
287.09525	0.6
298.01379	1.7
312.06473	1.0
313.03348	1.2
317.16037	0.6
317.19571	3.3
325.07065	0.9
327.08774	1.1
371.11765	0.8
371.20801	2.5
389.22003	2.0
405.21231	1.2
431.22931	7.8
447.22961	1.2
459.09409	0.8
491.10992	5.6
491.24963	2.1
491.29697	1.3
492.25723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70056	0.5
51.70732	0.6
53.49401	0.5
57.03432	1.6
58.02831	0.5
59.01377	100.0
61.98826	3.6
67.78835	0.6
69.03439	0.6
70.92706	0.6
71.01383	6.0
71.54543	0.9
72.99297	0.7
73.02954	1.4
75.00880	1.6
81.48569	0.6
84.61760	0.6
85.02959	3.8
87.00871	6.5
88.04065	1.1
89.02469	1.9
97.06631	0.7
99.00893	1.0
101.02418	3.2
111.08179	1.0
113.02457	3.1
115.00378	1.1
119.03563	0.8
119.05019	0.8
121.02956	1.0
122.03764	0.8
129.01878	0.7
131.03583	0.7
132.03014	4.5
133.02936	0.8
137.02452	1.5
147.04485	1.2
161.02452	1.2
161.04567	1.2
163.03984	1.2
165.12885	6.5
173.04562	1.3
183.13884	10.3
191.03423	0.6
192.45433	0.6
193.05205	0.7
201.05684	0.6
209.11961	1.2
227.03554	0.7
227.07184	0.8
227.12885	0.8
263.07846	1.0
271.02573	0.7
281.08887	1.4
283.02628	0.8
287.22308	1.1
299.02307	0.8
343.24985	1.3
345.13477	0.8
373.25958	1.6
426.93274	0.7
431.26926	1.5
449.27478	1.7
474.17966	2.6
491.14685	1.0
491.21829	3.6
491.29709	5.6
492.18625	1.5
492.24869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41391	4.4
59.01366	20.0
61.98820	20.6
70.39650	14.3
87.00867	6.2
91.58942	4.6
91.76698	4.2
93.03450	5.5
96.95998	7.0
97.06586	6.2
121.10223	8.8
134.03708	5.3
135.04482	5.5
143.63924	4.3
145.89537	4.9
171.10268	26.8
173.04498	13.0
181.01488	6.6
185.11809	6.1
197.02213	6.3
198.13683	4.5
209.11835	19.2
217.12315	12.8
222.17227	4.8
247.13200	5.1
263.12830	6.2
275.20151	53.3
287.09076	13.7
293.21228	100.0
313.03760	4.6
319.15219	7.2
339.05106	5.6
399.21292	5.8
453.15558	13.8
473.25269	18.8
491.26636	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46246	0.4
57.03447	1.1
59.01378	100.0
60.01730	0.7
61.98827	1.9
69.03461	0.9
71.01384	5.8
71.54792	0.9
72.99310	0.6
73.02952	1.2
75.00874	0.9
83.01400	0.9
83.13525	0.4
85.02948	3.7
87.00879	3.9
88.04050	1.3
89.02449	1.3
93.03471	0.9
95.01400	0.8
97.06583	0.5
97.81101	0.4
101.02444	2.3
111.08172	1.4
113.02464	2.8
115.00388	0.9
119.03519	0.6
119.05058	0.7
121.02985	0.9
123.04517	0.6
132.03018	3.6
135.04469	0.6
137.02467	1.3
145.02965	1.0
147.04539	1.3
149.06105	0.9
161.02383	0.6
161.04541	0.8
163.04021	1.2
165.12857	6.7
173.04561	1.0
175.03943	0.6
179.03404	0.5
183.13914	9.4
183.15558	0.5
209.11937	0.9
215.10875	0.5
217.08846	0.6
222.05354	0.6
227.07140	0.5
227.12950	1.7
255.03049	0.6
263.07782	0.5
271.02640	0.7
281.08865	1.6
299.01990	0.6
343.24905	0.8
353.10605	0.5
373.26111	1.0
415.19669	0.6
431.26682	1.8
449.27768	1.6
474.17947	1.4
491.06241	0.8
491.14572	0.7
491.21902	4.0
491.29822	3.3
492.25107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99744	0.7
57.03445	4.0
58.00584	1.3
59.01376	100.0
60.01691	0.8
61.98826	6.3
64.09867	0.7
69.03468	2.2
69.52340	1.8
69.52755	3.5
71.01376	23.3
73.02941	25.7
73.89542	0.6
75.00866	1.3
83.01379	5.5
85.02943	8.2
87.00871	35.9
89.02444	11.6
93.03487	1.2
95.01381	1.7
96.95982	1.7
97.02980	1.4
99.00899	1.8
101.02437	20.1
111.00911	2.1
113.02441	11.5
119.03502	3.9
121.02943	0.8
123.04601	1.0
125.02444	2.0
131.03540	1.9
136.01614	0.7
138.05577	4.0
143.03520	2.2
147.04527	3.2
149.02475	0.9
149.04549	1.7
161.04515	5.1
165.01985	0.9
167.10782	1.2
173.04630	1.7
173.06102	2.4
174.03284	1.5
175.04100	1.2
179.05644	1.8
190.62231	0.8
191.01988	1.2
191.03607	1.2
191.05603	2.2
199.03995	1.2
200.04851	1.0
201.05493	4.1
203.38029	0.7
211.04102	1.7
213.01895	0.9
214.02762	1.0
215.03601	2.6
215.07191	3.3
217.05048	0.8
225.05644	1.1
227.07201	1.3
228.04333	1.8
229.05035	5.0
230.05838	1.6
243.06627	3.1
253.05156	0.9
254.05859	0.8
255.06757	0.9
263.76883	0.8
269.04803	0.7
269.08099	1.1
271.06116	10.6
274.04797	0.9
287.09244	0.9
297.07718	2.1
305.11563	1.8
315.08807	6.1
331.08240	1.2
341.06644	1.7
359.07950	1.9
387.20193	11.8
403.06592	11.4
403.11249	0.9
404.06949	0.8
405.21384	6.1
431.15720	3.3
431.22873	2.7
447.22366	8.7
490.61490	1.1
491.17203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47566	0.4
55.90379	0.4
59.01391	2.0
69.93848	0.4
70.79533	0.4
70.79864	0.7
71.01376	5.6
73.02943	4.9
75.00869	1.4
85.02966	0.7
87.00874	3.4
89.02440	28.1
98.20663	0.4
102.46963	0.4
103.04001	1.9
105.01951	0.6
117.01931	0.4
131.03502	6.9
146.00888	0.4
147.02948	0.6
149.04549	100.0
150.04897	1.5
165.04024	4.6
208.25204	0.4
219.51993	0.4
392.73474	0.4
496.72650	0.5
505.91953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18302	0.4
59.01369	1.6
66.07520	0.4
69.57549	2.9
71.01380	4.5
73.02942	4.5
75.00880	0.8
87.00870	1.9
89.02440	24.3
93.56598	0.5
101.02424	0.5
103.04022	2.6
119.90287	0.5
131.03494	6.5
149.04549	100.0
150.04912	1.7
229.51761	0.5
412.72784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77195	3.0
57.03450	5.5
59.01379	54.5
60.86372	4.1
61.98821	8.6
71.01373	34.4
71.54439	3.6
72.99311	11.4
73.02961	5.0
75.00869	27.9
85.02946	41.3
87.00867	29.1
89.02419	11.3
95.01371	8.6
96.95998	3.7
99.00875	13.5
101.02434	5.2
111.08162	6.0
113.02443	51.5
147.04503	5.6
152.01056	3.4
165.12830	56.6
166.75601	3.8
167.78976	3.3
173.04448	4.3
175.02531	4.9
197.15485	6.6
209.11784	4.0
241.14496	9.6
243.06660	7.0
249.06142	38.4
267.07208	95.0
282.01559	4.4
344.94989	3.9
353.14423	3.3
359.27991	6.8
369.21008	3.8
404.56284	3.5
431.26328	5.0
470.25064	5.5
491.21381	100.0
491.28030	5.8
492.21252	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64215	1.7
55.01864	1.9
57.03440	6.7
59.01068	2.5
59.01373	49.2
61.98835	4.8
68.99822	2.8
69.03429	3.4
70.68176	4.6
70.68587	1.5
71.01376	34.0
72.99301	7.1
73.02956	3.4
74.13324	1.5
75.00870	24.3
77.78678	1.7
79.11710	1.6
83.05027	3.2
84.70424	1.6
85.02941	38.5
87.00871	20.2
88.98810	2.2
89.02436	7.5
93.03484	2.5
95.01406	8.2
97.06594	5.2
99.00871	15.3
101.02445	3.4
103.00346	2.0
111.08154	6.3
113.02441	43.5
115.00329	2.2
117.01928	3.6
120.23379	1.6
129.01953	2.6
143.10837	2.0
163.11299	2.3
165.12827	56.5
166.13214	1.8
173.05859	1.5
175.02390	2.0
197.15471	7.0
205.07178	3.7
209.11813	4.9
212.61963	1.9
223.07933	1.7
231.05016	2.2
241.14420	10.4
243.06622	2.7
249.06119	38.3
267.07175	100.0
268.07666	2.6
359.27948	3.9
431.18927	2.0
431.26154	3.6
470.25577	2.4
473.19846	2.6
491.21301	97.4
491.27582	5.2
492.21478	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	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.6
57.18401	1.1
59.01377	27.0
59.68713	1.3
61.98817	2.1
68.99809	1.2
69.03448	2.9
71.01381	21.4
71.05015	1.5
72.99292	5.8
73.02937	2.8
75.00866	19.0
78.91889	9.5
79.90459	1.3
83.01344	1.2
83.05028	1.1
84.02139	1.2
85.02937	24.0
87.00877	9.8
89.02438	4.3
93.03452	5.3
95.01390	5.3
98.20698	1.9
99.00871	13.8
101.02431	2.1
103.00394	2.5
111.08162	11.6
113.02437	26.8
114.38522	1.2
115.00329	2.8
117.01920	2.3
121.02940	4.0
129.01892	2.3
137.02441	9.8
147.04512	1.5
157.01408	1.6
163.11375	1.0
165.12823	87.7
166.13097	3.2
175.02429	4.3
181.12300	2.4
183.13879	16.6
191.10776	1.8
203.07289	1.1
209.11801	9.0
227.12888	7.8
231.05055	2.6
241.14417	3.5
249.06107	20.6
267.07214	3.7
329.23145	2.4
359.28070	8.8
415.14508	1.5
415.19711	17.9
442.61838	1.0
459.18622	3.2
470.25305	8.2
470.75305	4.2
473.20148	3.9
491.21271	100.0
492.21738	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	491.2133
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.01878	0.4
57.03443	2.3
59.01379	9.7
61.03471	0.3
61.98808	0.4
67.01880	1.4
68.99830	1.7
69.03455	1.0
70.00514	1.1
71.01377	7.9
72.99308	0.5
73.02960	0.6
83.01395	1.5
85.02949	11.5
85.41685	0.3
86.00072	0.5
87.00869	4.2
88.04082	0.3
89.02437	1.0
91.04018	1.0
93.03444	0.4
95.01386	3.1
95.33273	0.3
97.02945	0.6
99.00894	0.9
101.02431	0.9
103.00380	0.6
111.00867	2.3
111.08146	1.5
112.01669	0.6
113.02442	10.6
115.00349	0.6
125.02436	0.3
127.04035	0.4
129.01926	1.6
132.03044	0.5
139.00380	0.9
157.01384	1.6
165.12834	15.8
166.13185	0.7
181.12361	0.4
183.13887	100.0
184.14243	4.7
189.04053	1.1
205.07158	1.0
209.11826	2.1
227.12866	7.6
231.05116	0.7
249.06143	0.8
263.07684	5.6
272.02661	0.3
281.08743	4.7
301.16577	6.1
373.25732	0.6
415.19760	3.6
447.22290	0.6
459.18680	7.6
460.19070	0.8
473.20355	3.7
474.18317	0.3
491.21326	77.1
492.21674	6.2
492.28662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86813	0.6
57.00479	0.7
57.03442	3.1
59.01377	100.0
61.98831	1.4
63.28365	0.7
67.50667	0.7
69.03463	0.9
70.90554	1.0
70.90914	1.6
71.01382	14.8
72.99306	1.5
73.02948	22.0
75.00903	0.8
79.01852	0.6
83.01390	3.9
85.02956	2.8
87.00877	2.7
89.02451	5.8
93.03462	0.8
95.01386	1.7
96.96059	0.8
101.02441	18.5
101.03099	0.9
109.02978	0.7
110.76810	0.7
113.02464	8.8
119.03511	2.3
125.06077	1.0
129.01958	0.8
131.03482	1.3
138.05649	0.9
143.03497	1.7
147.04599	1.1
149.04549	2.2
161.04555	3.6
167.10828	2.6
169.01456	1.2
173.04379	0.7
179.05692	0.9
179.10938	0.9
184.03737	0.9
267.07162	1.5
362.33850	0.9
399.35703	0.7
405.21298	0.9
431.23300	1.1
447.22372	5.4
455.19937	0.7
473.07895	0.8
491.17444	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	1.1
60.36923	0.5
61.98831	2.5
63.59931	0.5
71.01380	12.3
71.01730	1.0
73.02949	7.6
83.01392	2.4
84.76641	0.5
85.02962	4.4
87.00867	3.1
89.02437	8.2
95.01392	0.9
96.96042	0.7
99.00905	1.0
101.02440	8.6
113.02445	7.6
115.00385	1.8
119.03531	2.4
119.05031	0.7
123.04490	0.9
130.82712	0.7
131.03546	0.8
139.00398	0.6
143.03505	1.3
147.04501	0.6
153.09200	0.9
161.04562	2.5
173.04517	0.9
173.08310	0.7
175.02530	2.3
176.02814	1.2
177.03033	0.9
179.05717	0.8
181.05276	0.6
181.12401	0.6
190.91454	0.5
227.12930	0.7
243.16058	1.7
244.83130	0.6
254.17592	0.6
309.85162	0.6
387.20193	15.3
387.24866	0.9
388.20682	0.6
388.46704	0.6
395.42014	0.6
400.22189	0.6
405.21246	3.7
431.23132	1.3
434.51685	0.7
447.22382	8.8
448.22760	0.8
491.21576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51615	1.3
58.82618	1.3
59.01374	11.5
62.92984	1.1
63.88555	1.4
71.01350	1.2
71.14141	2.9
73.02929	2.1
74.88321	1.4
87.00867	46.2
87.01383	2.9
91.05509	2.2
93.03444	3.9
95.05006	2.2
101.02454	5.0
105.03455	3.8
117.75816	1.2
119.05031	2.1
121.02947	29.4
122.03728	2.9
123.04485	7.1
130.99843	16.5
133.02872	3.2
137.02457	1.4
145.01385	2.0
145.02927	1.5
147.00871	3.1
147.04510	19.4
149.02428	5.4
151.03917	1.3
163.03999	8.8
164.04761	6.8
165.05553	7.6
175.03867	1.7
179.03467	15.1
179.07138	5.9
190.02719	1.8
191.03462	6.7
193.05037	3.5
205.05013	7.3
207.02956	95.8
208.03676	15.1
209.04492	3.9
212.33339	1.4
217.01451	6.9
219.02954	2.5
222.05302	86.0
223.06075	18.0
237.04129	7.5
237.07649	62.4
238.08035	3.6
241.05115	2.1
253.05042	3.7
254.04262	5.5
256.07422	3.1
269.06824	2.3
269.17239	1.7
271.09894	3.0
283.09641	4.9
299.09271	1.7
312.06406	2.6
327.08719	2.2
327.38821	1.3
343.11664	1.6
369.09863	1.6
373.09180	2.8
397.09137	4.8
399.07138	3.4
415.10007	1.6
431.09885	7.9
459.09216	22.6
460.09650	1.7
473.10788	1.3
491.11914	100.0
492.12195	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66710	0.2
57.35484	0.3
57.49837	0.3
59.01375	25.7
60.01685	0.7
61.01776	0.4
61.98808	0.9
65.00312	2.8
71.01378	2.1
73.02922	1.1
75.00881	0.3
79.45015	0.2
85.02939	1.3
87.00883	3.2
89.02410	1.0
93.03445	0.9
101.02447	1.9
108.02163	0.4
109.02964	0.6
111.49919	0.3
113.02451	1.4
121.02937	0.3
130.99840	1.2
132.02162	0.3
135.04485	0.4
136.98796	19.9
137.99109	0.4
145.02959	0.4
147.04492	0.4
148.01648	0.7
149.02361	0.3
151.00397	0.3
152.01105	0.8
156.72780	0.3
159.04573	0.3
160.01593	0.6
161.02409	0.5
161.04544	0.4
161.99609	0.3
163.00267	0.4
163.04007	0.4
170.03719	0.6
171.04485	1.3
171.24078	0.3
173.04565	0.7
179.05609	0.3
185.11743	0.3
187.03944	1.3
190.99869	0.4
191.05585	0.5
193.05032	0.4
196.36653	0.3
198.03210	1.6
199.03987	2.7
202.02687	0.4
203.03577	0.5
211.03874	0.5
213.01918	0.4
214.02646	1.6
215.03470	4.2
225.01941	0.8
226.02711	2.0
227.03500	3.8
230.05824	2.1
235.02562	0.7
239.03470	0.4
240.04140	0.3
241.01482	0.6
241.04979	0.5
242.02107	1.3
242.05791	0.6
243.03001	3.6
243.12274	0.4
254.02118	0.4
254.04416	0.6
255.02913	3.9
256.03522	0.5
257.04492	1.1
258.05267	0.7
269.00800	0.4
269.04620	0.4
270.01669	23.9
270.05237	4.5
271.02411	9.3
271.05429	0.6
272.02902	0.8
283.02496	0.5
284.03189	1.0
285.03998	14.3
286.04749	3.6
287.05447	0.6
295.02423	0.3
296.03201	1.0
298.01160	28.8
299.01898	9.9
299.05301	0.6
300.02631	1.1
301.84937	0.3
311.05704	0.4
312.02744	0.8
313.03510	85.6
314.04254	50.1
315.04813	4.4
326.04385	0.8
327.05121	1.6
328.05692	1.7
329.06628	100.0
330.06970	6.3
336.06415	0.3
338.04434	0.6
339.05188	0.6
343.08240	0.3
351.08710	0.5
353.06781	0.9
371.07678	3.1
384.84769	0.3
387.20203	0.3
389.08762	0.3
431.22693	1.3
461.07098	0.8
476.09534	12.6
477.09854	1.3
481.68356	0.3
491.11923	54.1
492.12280	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
59.01378	22.1
61.98834	1.1
68.99794	0.6
69.40201	1.9
69.40614	3.2
70.05833	0.6
71.01377	3.5
73.02940	1.5
83.01391	0.9
85.02948	2.0
85.46541	0.6
87.00874	52.1
88.01185	1.0
89.02401	0.8
91.05520	2.4
93.03445	7.1
95.01373	1.0
95.04996	1.3
101.02455	4.1
103.05521	1.4
105.03446	2.7
107.61961	0.7
108.02130	1.9
109.02934	1.5
113.02440	2.2
119.05051	3.0
121.02953	34.9
122.03708	2.6
123.04541	5.0
124.01610	0.7
130.99863	16.3
133.02959	2.3
135.04521	1.9
136.01665	0.8
137.02438	1.6
139.03955	1.4
145.01570	0.7
145.02911	2.2
146.03693	1.0
147.00841	2.5
147.04518	14.8
148.01640	0.8
148.05159	0.8
149.02470	5.3
149.06149	1.3
150.03169	2.3
161.04559	1.1
163.03993	7.7
164.04799	4.7
165.05565	6.8
167.56348	0.7
173.04492	0.9
175.00456	0.8
175.03914	1.0
176.01051	0.9
179.03476	11.4
179.07152	3.8
181.04941	1.0
190.02676	2.1
191.03482	5.8
193.05057	1.6
197.06023	0.8
205.04991	4.3
207.02974	75.8
208.03696	12.4
209.04424	3.1
211.12785	0.7
217.01422	4.0
219.02983	1.7
221.04543	1.2
222.05322	69.0
223.06030	13.0
237.04221	3.0
237.07671	59.0
238.08015	1.5
240.26010	0.7
241.05061	1.3
253.05008	0.7
254.04282	11.1
256.07361	1.0
269.04208	1.1
269.06641	2.3
271.02530	1.1
271.06299	0.7
271.09668	2.8
272.06906	2.5
283.09698	2.1
284.03232	0.8
284.06595	1.3
287.09247	9.9
287.18723	1.5
287.22202	0.9
298.00989	0.8
299.01971	2.0
299.09186	2.2
312.06171	1.7
314.04221	1.8
327.08804	1.1
329.06641	3.2
338.08127	0.8
343.11850	0.7
373.25903	1.2
397.09387	3.4
399.07278	1.8
400.06845	0.7
401.12442	1.1
415.10251	1.6
431.09732	6.7
431.26959	4.0
449.27420	2.1
459.09302	10.0
491.11847	100.0
491.27206	3.2
492.12219	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	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52035	0.5
54.21656	0.5
57.03455	1.0
59.01383	7.4
61.98806	1.3
69.03451	1.0
71.01382	3.5
71.47762	0.5
71.52429	0.6
71.52821	0.6
73.02953	1.3
75.00847	0.8
78.95876	0.6
79.95210	0.5
81.03457	6.7
83.01376	3.4
85.02946	3.2
87.00869	5.4
89.02444	1.5
93.03442	1.7
94.09697	0.5
95.01409	0.8
95.05025	7.6
96.96000	2.7
97.02939	2.0
99.04518	3.2
101.02426	2.0
107.04972	0.6
109.02927	1.2
111.00919	0.7
111.04537	1.3
113.02454	1.6
119.03538	0.6
119.05025	1.2
121.02984	1.5
122.03748	1.7
123.04522	13.4
125.02437	18.8
135.02997	1.0
135.04498	1.5
137.02437	2.7
137.06081	11.6
138.03162	0.6
139.03975	2.2
141.05544	0.7
147.04533	3.8
149.02489	0.8
149.04457	0.9
149.06078	0.9
151.03993	1.3
153.01955	0.6
155.03503	1.7
161.02437	1.8
161.04555	0.7
161.25014	0.6
163.03938	1.1
165.01967	1.3
165.05537	4.0
166.02715	0.6
167.03488	53.4
168.03831	2.4
177.05423	1.3
179.03482	7.9
180.04198	1.6
181.05058	3.0
189.05655	0.9
191.02005	1.1
191.03500	2.6
193.05023	2.9
197.04536	4.5
203.03416	1.0
205.05035	1.3
207.02936	1.0
209.04541	100.0
210.04904	3.5
220.94211	0.5
221.04532	4.9
223.06183	0.7
227.07050	0.8
229.04961	1.0
233.04482	3.3
239.05592	27.5
240.05945	1.2
251.05586	2.3
263.05579	1.2
271.06082	1.4
311.07596	1.0
315.08875	1.0
371.09811	57.0
372.10077	4.0
387.20343	0.7
401.10861	22.5
402.11273	1.2
403.06500	0.7
413.10995	1.1
431.22928	0.6
473.13062	3.7
491.13968	9.0
492.14630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01378	22.5
61.02621	0.6
65.03951	0.7
65.35035	0.6
70.91059	1.1
71.01381	11.7
72.99323	0.9
73.02942	2.6
75.00860	1.5
78.77007	0.6
83.01385	0.9
85.02947	2.8
87.00865	7.2
88.00394	0.6
89.02438	8.2
93.03476	0.8
101.02430	5.3
103.00368	1.6
108.63663	0.6
109.02941	1.0
110.03983	0.6
113.02441	3.4
115.01176	0.5
117.03506	4.6
117.07803	0.5
117.55994	0.5
119.03480	2.1
121.02963	0.8
123.04513	3.7
129.84398	0.6
131.03485	0.9
132.02173	14.3
133.02933	1.8
133.05052	1.0
134.03729	43.1
135.04506	1.6
138.44736	0.6
147.04501	2.5
148.05199	0.7
149.06061	6.2
151.06094	5.3
159.04359	0.7
160.01654	72.9
161.02161	2.9
161.04565	1.3
163.04010	2.0
173.04662	0.9
173.06052	1.2
175.03992	82.8
176.04591	6.4
178.02676	2.8
179.03499	0.8
179.05516	0.8
181.06248	0.7
191.07118	8.8
193.05034	62.1
194.05388	2.0
194.07205	1.1
195.02945	0.9
195.07982	2.1
196.08519	0.8
197.08806	0.7
207.06543	3.4
208.05301	0.7
211.07639	1.1
213.08388	1.1
217.05096	0.7
217.07190	0.7
220.03757	1.4
222.06657	2.4
223.07626	4.2
224.07916	2.3
225.08305	3.3
228.04222	0.9
235.06084	27.1
236.06570	1.5
239.07072	2.2
240.07523	1.3
241.05217	0.7
241.07823	1.4
242.05368	0.8
249.05695	1.7
250.05833	0.7
250.09186	0.7
251.06422	0.6
254.05540	1.2
255.05023	3.7
265.07022	4.5
267.06537	3.0
268.06891	1.4
269.07571	2.2
275.37244	0.6
295.08099	6.2
313.06500	1.0
317.97421	0.6
337.09000	2.1
339.07892	1.6
355.10358	2.0
365.05826	1.8
383.06982	0.7
385.04752	3.8
401.07874	1.7
409.04462	2.6
443.06055	2.4
444.06778	1.3
445.06772	25.0
446.07101	1.5
471.04648	2.4
489.16077	100.0
490.16400	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60039	0.5
59.01376	67.0
60.01696	1.9
61.01789	0.7
61.98828	3.2
65.00328	0.6
69.30209	3.0
69.30609	1.4
71.01372	4.9
73.02937	1.9
83.01396	0.8
83.73515	0.5
84.29482	0.5
85.02969	2.6
87.00877	7.7
89.02436	1.4
93.03470	1.1
95.01405	1.3
96.95940	0.7
97.02927	0.7
99.00861	1.0
101.02435	3.3
101.83141	0.6
102.08727	0.5
108.02173	1.0
109.02956	1.0
113.02456	3.3
117.03468	1.8
121.03011	0.6
123.00926	0.7
125.02419	1.1
129.64844	0.6
130.04250	1.0
130.99887	3.1
132.02188	0.9
133.02980	1.1
136.98819	3.5
142.04225	2.1
143.05020	2.4
145.02945	1.9
148.01645	0.8
149.06052	0.7
151.00345	0.6
158.03725	4.7
161.02505	0.8
161.04550	1.8
163.03925	0.6
169.02899	0.5
169.58408	0.6
170.03769	2.6
171.04486	13.1
172.04878	0.9
173.02415	0.6
173.04614	0.7
175.03900	0.8
183.04546	0.9
185.02397	11.5
185.06038	0.6
186.03221	6.6
189.02014	0.5
189.05603	1.4
197.02426	2.0
198.03220	5.8
199.03990	4.1
204.97704	0.8
211.03960	0.9
213.01869	2.7
213.05539	0.7
214.02687	15.3
215.03479	4.2
225.05479	1.0
226.02673	4.0
227.03448	10.3
228.03868	0.7
229.05067	0.7
230.05731	0.8
235.02278	2.6
241.01410	1.4
241.05028	1.4
242.02162	10.3
243.02876	2.6
254.01967	0.9
254.04269	2.2
255.02914	4.7
257.04654	0.7
259.02460	2.5
268.03641	0.9
269.01151	0.6
269.04544	1.6
270.01648	27.7
271.02332	5.4
282.01666	1.1
283.02463	4.2
284.03226	1.1
285.04102	6.3
286.04791	1.3
295.02344	0.9
298.01147	100.0
299.01837	25.9
300.02402	1.8
313.03516	70.5
314.04269	34.4
315.04782	2.5
317.19574	0.7
328.05847	27.6
329.06613	84.5
330.06979	3.6
334.41043	0.6
343.21259	0.7
344.32315	0.7
355.15585	0.8
356.05597	0.6
371.07654	3.8
371.20691	0.8
384.92822	0.6
389.21854	0.8
431.22800	4.1
449.23883	2.8
461.07217	49.4
462.07635	3.5
476.09518	76.7
477.09866	5.8
491.12009	67.1
491.23691	1.7
492.12253	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	489.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.00614	0.6
59.01377	51.6
61.98819	0.7
65.32782	0.5
66.14041	0.6
69.32816	3.3
69.33231	1.3
71.01381	17.0
72.99312	1.2
73.02938	2.7
83.01376	4.6
83.90554	0.5
84.57076	0.5
85.02941	2.0
87.00872	35.7
89.02456	1.2
101.02439	2.0
103.00349	0.9
105.49828	0.7
111.00879	7.9
112.98801	1.1
113.02464	2.9
115.00368	57.3
116.00692	1.0
119.03510	0.5
120.02905	0.6
122.06068	0.7
123.04526	8.9
124.07640	0.6
127.00378	1.5
130.99907	1.0
133.05235	0.5
139.00366	13.4
145.02969	1.1
146.06158	1.0
147.04512	1.8
149.04733	0.6
149.06064	3.7
150.03174	0.6
157.01408	28.8
158.01790	0.9
163.04019	1.0
165.05540	1.6
174.05620	0.9
175.02463	100.0
176.02798	1.7
181.48650	0.7
193.05058	2.4
195.03009	1.9
203.96800	0.6
205.19461	0.5
207.05353	1.3
226.12399	3.3
240.08876	0.7
241.07387	0.9
254.10391	0.6
255.05098	7.3
269.08328	0.9
269.12924	12.0
297.12326	1.0
299.13956	1.3
313.11908	12.1
314.12384	0.7
327.13339	0.7
341.06613	1.0
341.11206	0.8
343.12979	2.5
371.12415	8.6
373.14139	1.5
385.14227	0.7
389.13559	0.9
391.12772	0.8
399.15817	1.2
401.08694	1.1
409.14050	10.5
410.14807	0.7
427.15067	13.7
429.12949	3.5
429.21268	0.8
441.12640	1.1
445.08163	1.3
453.12604	1.1
471.14053	1.8
489.15240	4.2
493.60617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74559	0.3
57.03439	0.4
59.01379	16.6
60.01728	0.3
60.65760	0.2
61.70581	0.2
61.98841	0.6
62.82486	0.3
63.82572	0.3
69.03457	0.3
71.01380	1.6
71.18903	0.2
71.50094	0.3
72.99294	0.4
73.02943	1.0
83.01376	0.3
85.02953	1.4
87.00865	1.7
89.02447	0.9
93.03434	0.6
95.01401	0.8
99.00864	0.3
99.04465	0.3
101.02434	1.1
108.02196	0.5
109.02958	1.7
111.00928	0.3
113.02460	0.6
119.03498	0.3
121.02949	1.5
123.00872	1.8
123.04547	0.3
124.01656	2.1
126.02023	0.3
130.99857	0.4
133.02950	1.8
136.01672	1.7
137.02432	2.9
139.03986	0.4
142.15340	0.3
143.03542	0.3
143.05125	0.3
145.02954	1.8
146.03725	0.5
147.04555	0.5
148.01657	1.0
148.05171	0.3
149.02438	0.5
149.06049	0.8
160.01675	1.3
161.02460	1.9
161.04544	0.3
163.03989	0.4
165.27849	0.3
171.04475	0.6
172.05211	0.4
173.04608	0.6
173.05969	0.3
175.03995	0.9
183.04483	0.5
185.06096	0.6
186.06871	0.5
187.04034	0.3
191.03563	0.3
191.05573	0.3
193.05054	1.0
197.06018	0.8
199.04013	1.4
201.05586	0.6
202.06322	0.7
209.06030	0.3
211.04025	1.2
213.01962	0.9
213.05464	1.7
214.06372	1.2
223.04137	0.3
224.04813	1.0
225.05530	2.3
226.06342	1.6
227.03503	2.2
231.82713	0.2
240.88069	0.3
241.05037	4.3
241.08745	0.4
242.05865	1.5
252.04239	1.0
253.05077	2.0
254.02167	0.4
254.05849	0.4
255.02933	4.7
257.08380	0.3
267.15921	0.5
268.03830	0.6
269.04529	10.7
270.05310	95.0
271.02686	0.5
271.05615	4.5
283.05966	0.6
284.03696	0.3
284.06805	1.5
285.07660	100.0
286.07996	5.1
299.05655	0.3
300.03040	0.3
387.20084	0.3
429.06525	0.4
429.11902	4.4
429.21121	0.5
430.12119	0.4
447.12921	0.8
489.07584	0.5
489.13968	10.2
489.22095	0.4
489.43420	0.3
490.14273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
62.65089	0.2
63.08026	0.2
69.41621	1.5
76.79203	0.2
88.76939	0.2
95.01376	0.4
104.34799	0.2
109.02955	0.8
121.02940	0.4
123.00914	1.3
124.01647	1.4
133.02956	0.8
136.01665	1.9
137.02472	1.6
145.02991	0.6
146.03772	0.3
148.01694	1.0
149.02483	0.3
160.01729	0.3
161.02446	1.5
163.95882	0.2
172.05244	0.3
183.04623	0.2
186.06824	0.2
197.06058	0.8
199.04022	0.5
201.05482	0.3
202.06334	0.6
211.04019	1.2
213.02002	0.3
213.05606	0.7
214.06287	0.9
224.04771	0.7
225.03523	0.4
225.05559	1.5
226.06323	1.5
227.03441	2.0
241.05038	3.0
242.05893	1.0
252.04272	0.5
253.04980	1.3
255.02986	4.9
262.24518	0.2
269.04544	3.4
270.05307	100.0
271.02737	0.2
271.05649	5.3
285.07657	97.0
286.08014	5.5
290.53070	0.2
367.16858	0.2
430.24515	0.2
489.13971	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	489.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.5
59.01380	31.9
61.98833	18.1
71.01372	9.9
71.54367	2.2
73.02950	4.7
75.00879	1.9
78.95921	2.1
85.02951	4.7
87.00876	51.7
89.02453	6.1
93.03474	4.4
95.01384	2.0
96.96012	3.8
99.00874	2.0
101.02473	8.2
109.02996	2.6
111.00819	1.8
113.02448	3.8
115.00402	2.6
120.01189	1.7
121.02943	2.7
123.04546	13.7
125.02493	2.7
130.99867	1.9
131.03474	1.7
134.03723	3.3
135.04504	2.3
136.50548	1.8
138.05614	5.4
139.03932	1.6
145.02917	2.9
147.04530	4.6
149.04498	2.1
149.06065	6.0
159.04482	1.7
159.77400	1.6
160.01689	2.2
161.02431	5.2
163.03975	4.4
165.05542	2.8
173.04568	3.7
173.06041	3.7
175.03978	4.1
183.04430	2.3
185.06084	2.5
187.04051	2.5
191.05547	3.5
193.05055	5.7
194.02814	1.7
195.02930	2.6
197.06116	3.0
199.07689	2.1
207.08179	2.6
209.06052	6.1
210.06853	2.8
211.03871	2.1
212.04907	2.1
213.05531	5.0
213.09203	6.1
215.03621	1.8
222.06868	2.5
223.07672	16.6
225.05664	7.4
225.09132	4.8
226.06281	3.2
227.03436	2.6
227.07031	4.6
228.04219	2.5
235.07703	1.8
236.04642	3.5
237.05490	5.3
239.03246	1.8
239.07159	2.7
240.04256	1.9
241.05125	3.6
241.08693	7.1
249.05785	4.4
250.06216	1.9
251.01820	1.8
251.07138	24.8
252.07489	1.7
253.05000	14.6
254.05846	39.4
255.05086	11.9
255.06845	6.4
263.07285	1.5
265.05109	6.3
267.06693	8.7
267.09644	1.3
268.07266	4.8
269.08179	100.0
270.08514	6.5
275.07269	2.1
277.05078	3.9
277.08640	6.4
278.05930	2.1
279.06549	8.6
280.03842	2.5
280.07358	4.2
281.04575	2.3
293.08130	5.3
295.06052	7.0
295.09735	12.9
296.06885	3.2
297.07654	5.5
303.06555	7.1
311.09244	13.2
313.07132	3.3
321.07629	5.3
323.05569	2.7
324.06421	3.0
325.07214	2.3
339.04950	4.7
339.08679	18.5
341.06589	11.8
347.05679	8.5
355.08066	3.4
365.06589	17.0
383.07657	6.8
385.05566	13.1
401.08676	32.5
402.09033	2.7
409.05594	14.6
427.06683	15.1
445.07684	54.8
446.07990	4.3
453.04379	2.3
454.20609	1.9
471.05612	37.9
489.06555	17.4
489.15027	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	489.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87576	0.1
57.03445	0.4
59.01376	17.2
61.71630	0.1
61.98829	0.5
69.03439	0.2
69.35570	0.1
71.01376	1.6
71.54418	0.1
72.99294	0.4
73.02935	1.2
83.01390	0.3
85.02979	0.9
87.00868	2.6
89.02445	0.7
93.03461	0.5
95.01389	0.6
96.96036	0.2
97.02947	0.3
99.00874	0.6
99.04505	0.2
101.02454	1.2
108.02171	0.7
109.02972	1.2
111.04476	0.2
113.02430	0.7
117.03411	0.3
119.05035	0.2
121.02962	0.9
123.00880	1.4
123.04519	0.4
124.01675	1.8
125.02472	0.3
130.99841	0.8
132.02173	0.2
133.02962	1.9
134.03706	0.3
136.01648	1.4
137.02449	2.1
139.03998	0.2
145.02951	1.9
146.03723	0.4
147.04497	0.5
148.01634	1.3
148.05231	0.3
149.02400	0.4
149.06084	0.9
154.57033	0.2
159.04530	0.3
160.01640	0.7
161.02423	1.9
161.04570	0.4
163.03978	0.6
169.06601	0.2
171.04501	0.5
172.05258	0.2
173.04529	0.5
173.06015	0.3
175.04025	0.8
182.00792	0.2
182.03738	0.2
183.04559	0.4
185.06104	0.7
186.06837	0.4
187.04068	0.3
191.05563	0.3
193.05034	0.7
196.05186	0.2
197.06035	0.9
198.03168	0.3
198.06734	0.2
199.04018	1.4
200.04749	0.6
201.05557	0.5
202.06332	0.8
209.06104	0.3
211.03976	1.4
213.01961	0.6
213.05527	1.7
214.06340	1.0
223.04047	0.3
224.04799	1.1
225.05559	2.0
225.14914	0.2
226.02837	0.2
226.06334	1.9
227.03465	2.3
228.04184	0.3
237.03880	0.2
241.05026	4.8
241.08757	0.3
242.05791	1.3
251.03516	0.2
252.04305	1.0
253.05086	2.0
254.02185	0.7
254.05923	0.3
255.02954	5.4
256.03268	0.3
267.06744	0.3
267.16049	0.4
268.03754	0.7
269.04526	10.9
270.05301	91.3
271.05643	4.8
283.06036	0.8
284.03674	0.3
284.06918	1.3
285.07651	100.0
286.07993	5.9
299.05582	0.3
300.02740	0.4
323.74039	0.2
341.19241	0.3
369.19055	0.3
387.20209	0.4
407.96960	0.2
414.09573	0.2
429.11880	3.9
429.21271	0.5
430.12173	0.4
445.08020	0.2
447.12976	0.6
489.13983	11.9
489.21741	0.5
490.14633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17352	0.7
55.05223	0.7
59.01378	49.5
61.98827	1.2
69.87640	0.8
71.01374	3.9
71.53802	0.9
73.02946	1.6
85.02939	1.9
85.29841	0.8
87.00875	13.4
87.01393	1.4
89.02434	3.3
93.03452	0.8
101.02425	2.7
108.02135	1.1
113.02446	2.4
119.03528	1.0
119.05005	0.9
121.02946	1.8
122.03692	1.6
123.04523	52.8
124.04834	1.7
132.23956	0.9
142.42281	0.9
143.30472	1.1
147.04568	1.0
148.05307	1.2
149.06078	14.6
150.03165	2.7
151.03996	1.3
160.01651	1.8
161.02441	8.9
161.04532	1.1
163.03966	1.9
164.04810	1.0
165.05582	10.0
173.04541	2.0
175.02531	0.9
175.03984	3.0
186.91315	0.8
187.52025	0.8
189.01910	3.5
190.02663	1.8
191.05618	1.3
193.05070	10.7
195.02982	11.1
205.05003	1.7
211.07681	2.1
219.02931	0.9
233.00809	1.1
237.03970	1.5
251.01813	1.0
255.05080	100.0
256.05457	2.6
267.16040	6.3
345.10449	1.0
422.65518	0.9
429.17581	3.8
444.13947	0.9
445.06961	2.4
489.06763	1.2
489.15683	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	487.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
58.76831	0.6
59.01374	7.7
61.98827	35.4
69.03439	1.6
70.19112	2.1
71.01375	0.8
73.02945	1.0
75.00875	2.1
78.95902	0.8
85.02942	0.9
87.00871	0.7
93.03437	1.3
96.96017	1.6
98.19907	0.8
99.00858	1.1
101.02412	0.8
113.02448	1.1
126.41676	0.6
129.01945	1.5
137.08047	0.6
145.02922	0.8
147.02995	0.7
154.04201	1.0
159.04559	0.7
165.04085	4.2
174.03104	0.8
181.02977	1.6
182.03780	3.4
182.05142	0.7
185.00923	1.4
185.02419	1.3
189.01964	0.7
193.02928	2.0
194.03697	2.1
195.04324	0.9
198.03226	2.2
207.04984	2.0
209.02411	35.1
210.03159	9.8
211.03836	0.9
213.01880	1.7
213.05487	0.8
214.02728	1.1
222.03123	1.2
223.13402	1.9
226.02567	1.0
237.01923	40.4
238.02695	24.6
238.05090	1.4
239.03154	1.8
249.01974	0.9
250.02718	1.1
251.03474	3.1
255.02977	1.4
262.02591	0.7
265.01398	31.0
266.02179	100.0
266.81470	0.6
267.02576	6.4
271.07745	0.7
279.02936	4.9
281.00888	2.3
281.04501	4.3
282.06876	0.8
287.07086	1.4
293.00919	21.4
294.01672	25.6
295.02133	1.3
298.06354	1.0
299.07141	1.9
306.01627	1.5
307.02505	1.9
308.03088	1.8
311.07111	0.9
315.06699	4.8
316.07361	2.2
321.03940	1.8
326.06088	0.7
327.06665	4.5
328.07214	1.1
335.01752	0.7
343.06076	4.5
344.06778	2.6
353.04669	0.9
354.05374	1.5
355.06110	5.1
356.06744	4.1
367.06204	1.6
371.05536	8.7
372.06345	17.1
373.06686	1.6
382.04825	6.1
383.05603	6.6
384.06253	5.0
396.56207	0.7
397.07205	2.5
399.04681	3.4
400.05838	90.9
401.06082	5.9
410.04379	3.1
411.05020	11.2
412.05374	1.2
415.08224	54.8
416.08420	4.6
425.06699	13.4
426.07068	1.9
427.04492	7.0
428.05325	15.8
429.05740	1.0
441.06006	4.8
443.07672	22.3
444.07898	2.2
459.07034	1.2
472.04462	5.3
479.04532	0.7
486.31760	1.5
487.06689	33.4
488.07178	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	486.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.8
58.00584	1.4
59.01376	38.3
62.49932	0.7
71.01379	29.6
71.52247	1.1
72.99284	0.8
73.02933	1.0
76.59600	0.7
85.02927	3.4
87.00869	2.2
89.02436	39.1
90.02794	1.3
93.82751	0.7
95.01368	1.1
97.02935	0.8
101.02437	15.9
105.63000	0.9
113.02448	10.6
119.03497	12.8
125.02402	0.7
126.01934	0.7
126.05655	1.1
131.03493	1.5
142.05093	1.4
143.03484	2.6
144.03011	2.0
144.06660	33.0
145.06160	1.7
149.04517	1.0
149.85037	0.7
154.41849	0.8
160.06113	1.3
161.04524	4.4
179.05594	19.8
341.10849	100.0
342.11154	5.4
343.74686	0.7
483.35052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.5
69.42629	8.6
75.37918	1.1
79.31401	1.0
85.02933	1.3
87.00861	10.3
91.63773	1.1
98.19859	1.9
145.03043	3.0
161.02426	1.2
167.08623	1.2
173.50160	1.2
180.05772	5.0
181.06421	1.8
183.08163	1.9
187.03903	1.2
193.06552	1.7
194.07310	4.1
195.04562	2.4
195.08162	11.7
196.05283	2.9
197.05971	2.1
207.08038	1.2
208.05219	5.9
209.06079	2.8
211.07655	7.2
217.23663	1.3
220.08789	1.5
221.06099	5.6
221.09546	3.4
222.06842	14.2
223.04013	1.8
223.07622	33.4
224.04648	3.7
224.07965	4.1
225.05473	6.7
233.06233	2.2
237.05498	1.8
237.09175	2.7
238.06288	1.7
239.07135	16.4
240.07494	1.6
241.05026	5.2
246.07089	1.2
247.07591	4.3
248.04611	1.6
248.08371	1.5
249.05463	11.5
249.09283	5.8
250.06058	2.3
251.03429	2.4
251.07101	1.8
252.04228	3.6
257.06036	2.8
260.04767	1.6
263.07071	1.9
265.04980	3.0
265.08725	7.0
266.06070	1.2
267.06570	27.3
270.04971	1.3
274.06430	1.3
275.07040	4.7
281.08026	1.7
283.06046	3.6
291.06479	5.4
293.04950	2.3
293.08102	5.7
298.04886	1.8
309.07617	4.9
311.05481	5.7
319.06049	3.1
333.62280	1.1
337.07147	13.5
353.06543	6.3
363.05136	5.8
378.97397	1.1
381.06061	7.8
383.04019	17.4
399.07086	4.2
407.03979	11.1
415.76031	1.3
425.05139	3.0
443.06174	100.0
444.06631	7.3
469.04077	11.3
470.04214	2.5
487.05063	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	484.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01375	3.6
61.98825	100.0
64.81054	0.4
69.34708	3.4
71.01388	1.4
75.00866	0.4
82.57246	0.5
85.02945	6.1
87.00883	2.6
93.03476	0.7
97.06631	0.5
98.19743	0.4
99.00908	0.5
101.02448	0.8
113.02439	0.7
129.01930	0.5
145.00179	0.4
147.02934	1.0
149.05959	0.4
173.04573	1.0
173.06047	0.7
191.01996	2.3
191.07100	1.1
192.07721	0.7
193.08400	0.6
203.80438	0.5
256.87164	0.5
261.28519	0.5
389.13000	0.4
448.16779	0.8
466.17920	4.3
484.19144	5.5
485.19482	0.9
485.30878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
58.00594	1.2
59.01377	43.3
59.22566	0.8
59.55044	0.9
69.56845	0.8
69.57430	4.1
71.01379	33.3
72.99298	1.6
83.01377	1.3
85.02961	2.8
86.91959	0.9
87.00890	2.4
89.02441	46.6
94.04137	0.7
95.01385	2.0
97.02930	0.9
101.02430	18.4
106.31339	0.7
113.02438	14.5
119.03501	17.3
131.03502	2.1
132.30344	0.8
141.94351	0.8
142.05061	1.3
143.03545	4.0
144.03006	1.6
144.06664	39.2
145.01422	0.9
145.06128	1.8
149.04559	1.2
161.04556	4.9
179.05582	19.1
189.24396	0.9
341.10846	100.0
342.11319	5.2
453.90027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
59.01376	42.9
61.98829	100.0
70.42943	4.9
71.01377	40.8
73.02945	12.4
75.00873	2.1
78.95891	1.9
83.01391	2.8
85.02944	11.8
87.00894	3.2
89.02444	47.2
95.01376	2.0
95.74268	1.6
96.95999	16.2
96.96970	1.8
97.02917	2.3
98.19952	1.5
99.00887	14.8
101.02429	22.3
113.02444	10.5
115.04016	2.8
119.03507	3.1
125.02464	4.8
129.01880	2.0
129.05565	40.0
131.03491	8.8
143.03481	3.5
149.04549	32.1
161.04611	7.8
186.50603	1.6
191.05649	6.6
209.02940	2.0
221.06651	2.5
223.04552	3.6
233.06615	3.9
251.07782	3.8
291.10843	10.3
293.08707	4.4
423.15048	95.3
424.15338	6.6
483.11334	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	6.6
90.64590	0.2
96.96951	0.4
98.19866	0.7
107.49245	0.3
124.72813	0.3
135.06158	0.2
152.99574	14.4
171.00600	1.0
227.03244	2.6
245.04227	1.6
255.23271	100.0
256.23633	5.3
375.09399	0.3
447.51385	0.3
483.27249	35.5
484.27545	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	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01374	2.2
61.98827	100.0
63.85412	0.3
69.03455	0.5
71.01385	0.9
72.59723	0.3
72.99310	0.3
79.48808	0.3
83.05023	0.3
85.02950	4.6
87.00884	1.5
89.02441	0.3
97.06613	0.3
99.00904	0.6
107.09105	0.3
111.00923	0.2
113.02450	0.3
125.02415	0.3
126.58846	0.2
129.01978	0.6
130.99936	0.3
147.03003	0.8
147.04468	0.3
149.06091	0.3
163.84383	0.2
164.04404	0.3
167.53860	0.2
173.04620	0.8
187.07741	0.3
191.01974	1.6
191.07140	0.6
192.07654	0.8
193.08345	0.4
218.09187	0.3
272.13739	0.3
275.12997	0.3
288.57730	0.3
316.16669	0.3
343.48260	0.3
424.21649	0.8
466.17899	2.9
484.18942	3.9
485.24051	0.8
485.31488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88956	1.0
59.01374	8.7
70.76037	0.9
71.01366	4.2
71.53507	1.1
72.99288	4.0
74.90432	0.8
75.00865	8.8
75.02568	1.3
76.09811	0.9
78.95885	3.3
83.01366	4.0
84.99295	1.6
85.01035	2.1
85.02946	2.8
86.06097	4.4
87.00868	2.4
89.02444	2.1
96.96012	1.6
96.96970	5.8
99.00881	5.4
100.98761	1.7
101.02433	1.9
103.00359	4.9
111.00846	2.7
112.04041	7.6
112.98807	26.0
113.02490	1.2
114.05577	2.8
115.00382	1.8
115.02067	2.5
117.01912	3.4
124.98836	1.3
127.00336	1.1
127.02104	1.0
129.01961	1.8
130.68181	0.8
142.05061	2.2
142.99840	1.4
143.01591	1.8
145.01424	44.7
146.01680	1.1
149.30505	1.0
157.01367	3.5
158.04582	19.0
171.01003	3.3
173.00938	1.0
173.04535	1.6
191.05621	1.5
205.03481	1.0
223.04552	2.2
231.03056	1.1
263.05750	9.4
291.10715	2.0
291.40475	1.1
335.04208	2.5
335.07901	2.3
364.94260	1.0
391.06943	6.6
419.06705	1.1
423.09647	1.7
423.15399	1.7
451.09073	14.0
483.11533	100.0
484.11819	7.7
498.88232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93328	0.8
51.53600	1.0
55.01869	3.4
57.03185	0.9
57.03423	4.7
58.00614	1.7
59.01377	41.3
61.98830	1.3
62.69384	1.0
64.33289	1.0
66.51113	1.0
67.01875	1.5
67.36137	0.9
69.03452	2.2
69.31036	6.0
69.31444	1.8
71.01380	50.1
72.99309	12.2
73.02941	13.8
75.00872	3.5
81.03444	9.0
83.01393	7.6
85.02946	33.6
87.00874	12.2
89.02440	20.0
90.10487	0.9
93.03465	4.2
95.01373	2.7
97.02947	3.5
97.06607	2.0
99.00869	11.4
101.02437	28.8
105.23145	1.0
109.02916	1.1
111.00889	7.8
113.02452	14.7
117.01920	1.4
119.03465	1.8
125.02440	36.4
129.01933	11.2
130.99886	1.6
131.03502	11.2
133.02916	1.3
134.03766	3.0
137.02423	1.6
143.03482	6.6
149.04572	5.9
149.06097	1.0
152.99583	1.2
158.03716	2.7
159.02966	1.7
159.04510	1.9
161.04549	10.7
161.05853	1.6
172.05084	0.9
173.04543	16.2
173.06004	1.8
175.07588	1.6
186.03218	1.8
187.04025	1.7
187.07674	3.8
189.05624	1.4
191.05621	1.4
191.07219	1.0
203.07184	2.0
204.94073	0.9
205.03510	40.3
205.05421	2.0
206.03819	1.5
215.07170	7.2
216.07826	2.8
217.08664	2.0
223.04568	14.4
233.06509	1.9
234.09012	2.6
241.08568	2.1
275.09125	1.6
289.16577	17.1
293.08862	3.3
301.14587	1.2
313.14398	2.4
314.14862	1.0
421.20773	100.0
422.21051	7.7
463.16064	19.9
464.16272	1.4
481.17194	23.4
482.17413	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54238	0.9
69.99499	2.0
69.99899	2.1
76.48035	0.8
78.95899	41.4
96.96961	2.4
98.20684	0.9
136.80658	0.9
143.94125	0.9
152.99580	60.7
170.52911	1.0
171.00639	18.0
227.03215	5.0
245.04285	100.0
246.04620	2.6
253.21712	62.8
254.22046	2.6
333.76120	0.8
481.25684	58.1
482.26004	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	482.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.03024	0.2
69.43178	1.6
71.01386	0.2
73.60520	0.2
96.96013	0.5
98.20681	0.2
125.02455	0.2
150.45253	0.2
187.72537	0.2
203.07848	0.2
356.37863	0.3
439.82291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36057	0.5
55.01863	1.4
57.03442	2.5
59.01381	6.4
61.98829	4.1
63.37674	0.5
66.73762	0.6
67.01889	0.9
69.03452	2.0
70.50699	0.6
71.01371	6.5
72.98890	1.1
72.99303	19.9
73.02962	1.0
75.00858	4.7
81.03455	18.0
83.01385	2.0
85.02951	18.8
87.00875	7.1
87.77605	0.7
89.02446	3.2
90.04501	0.6
93.03465	1.1
97.02944	2.1
99.00263	1.3
99.00875	15.7
101.02445	2.8
101.06062	0.8
106.47906	0.6
109.02964	7.8
111.00861	1.7
113.02460	6.8
113.54247	0.7
115.04032	0.8
117.01933	2.5
119.05020	0.7
124.01637	1.8
125.02442	54.1
126.02773	1.8
129.01941	21.6
131.03491	1.5
133.01440	1.3
133.94746	0.6
134.03699	0.7
135.04544	1.0
137.02444	1.4
139.04012	2.4
143.03494	8.0
145.02916	1.3
147.02974	9.6
149.02458	0.6
149.04482	1.1
155.03529	0.8
161.04593	3.8
163.00410	0.9
163.04019	1.7
164.04750	1.4
165.01932	0.7
169.01366	1.4
172.05254	1.2
173.04544	4.4
173.05963	1.1
179.03447	3.1
187.02504	0.7
187.04103	0.8
187.07648	8.7
191.01820	1.0
191.03497	1.1
191.05592	1.5
201.05597	0.7
202.06351	2.3
205.03511	59.3
206.03896	1.7
213.09149	1.5
216.08051	0.8
219.10272	0.8
223.04576	100.0
224.04903	2.6
231.10228	3.3
257.08136	1.0
263.12839	1.2
275.09225	2.5
284.03033	0.8
307.11661	1.7
322.87418	0.6
447.87457	0.6
463.16418	1.9
481.17407	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
57.03447	1.8
58.00599	1.9
59.01379	44.0
60.01718	0.6
61.98808	0.6
65.00325	0.3
66.12311	0.2
69.03460	2.1
71.01381	45.7
71.05017	0.3
71.30685	0.4
72.01730	0.4
72.99310	2.9
73.02946	12.3
75.00877	2.1
81.03469	1.0
81.07099	0.4
83.01390	3.2
84.78645	0.2
85.02950	12.2
87.00872	2.4
87.04541	1.3
89.02444	43.4
90.02784	0.5
93.03469	0.4
95.01386	2.7
97.02948	2.3
99.00879	18.4
99.04514	0.6
101.02444	26.1
101.06100	0.2
102.02785	0.4
103.81577	0.2
109.02988	0.6
110.10320	0.2
111.00886	0.6
113.02448	12.3
113.06075	0.3
115.04000	1.5
117.01975	0.5
119.03505	6.7
119.05018	0.6
125.02442	6.6
125.99649	0.5
129.01938	0.5
131.03499	6.4
136.98825	0.7
137.02434	0.6
139.00418	0.4
141.01909	0.4
143.03503	2.0
149.04556	14.5
153.09236	0.3
155.03542	0.4
159.02982	1.4
161.04547	7.3
163.04004	0.6
164.98250	0.7
165.38693	0.2
165.99060	0.7
173.04459	0.4
179.05605	1.7
181.01439	3.8
185.11809	0.5
187.13390	5.4
189.99080	0.7
191.02022	0.4
191.05614	5.4
195.06793	0.2
205.01392	1.3
205.03500	1.4
209.02977	0.5
221.06601	0.5
223.04607	1.0
229.14615	0.3
233.06703	2.7
251.07744	0.9
260.03131	0.2
271.15683	0.3
275.07727	0.4
293.08740	3.2
343.06561	1.2
349.18649	15.8
350.19028	1.2
355.09076	0.2
401.09198	0.3
481.22888	100.0
482.23279	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	481.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71714	0.2
55.01878	1.2
57.03446	2.0
58.00592	1.8
59.01378	43.9
61.98827	0.4
62.18606	0.2
65.00349	0.3
69.03459	1.4
69.37071	2.2
71.01379	45.2
72.01693	0.4
72.99303	2.6
73.02943	13.4
75.00874	2.0
78.95936	0.3
81.03453	0.7
81.07100	0.4
83.01390	3.6
85.02944	10.4
86.00097	0.3
87.00858	2.3
87.04526	1.3
89.02442	44.2
90.02801	0.4
93.03448	0.4
95.01380	2.6
95.04963	0.3
96.96027	0.3
97.02947	2.4
99.00880	16.0
99.04539	0.6
101.02440	24.6
101.06104	0.3
102.02776	0.7
103.26191	0.3
105.37892	0.2
105.61511	0.2
107.12581	0.3
109.02950	0.4
111.00893	0.9
113.02444	11.6
113.06082	0.4
114.81195	0.2
115.04012	1.5
119.03505	6.0
119.04935	0.4
125.02451	5.6
125.89555	0.2
125.99670	0.3
129.01950	0.7
131.03505	5.8
136.98836	0.6
137.02446	0.8
139.04005	0.3
143.03488	2.2
145.03055	0.3
149.04553	13.9
155.03542	0.3
159.02969	1.1
161.04556	6.9
163.03981	0.6
164.98219	0.6
165.99091	0.7
177.75566	0.2
179.05582	1.1
181.01436	3.6
185.11810	0.6
187.13362	4.8
189.99068	0.6
191.05612	5.1
205.01375	1.1
205.03526	1.2
207.42676	0.3
209.02998	0.5
223.04622	1.0
233.06691	3.2
251.07706	1.0
275.07761	0.6
293.08743	2.5
343.06760	0.8
349.18643	15.8
350.18893	0.9
462.43176	0.3
481.22864	100.0
482.23239	8.0
495.79031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.192
Annotation	Longicornin A
Peak:m/z	Relative Intensity
57.03445	2.6
59.01381	1.8
70.14307	2.6
73.02942	2.6
74.78020	0.9
77.29498	0.9
87.00876	49.5
97.06587	5.1
101.02443	5.7
130.99866	17.3
145.02901	1.8
146.03726	1.9
147.04527	2.3
147.08154	3.4
149.06070	3.4
156.05873	1.0
158.03722	1.9
159.04491	3.7
160.05244	1.3
161.06041	2.4
162.06853	2.2
163.07674	3.4
171.04529	5.6
171.08191	1.3
171.62672	1.1
172.05283	2.5
173.06090	17.0
174.03177	2.9
174.06818	6.8
175.07640	8.2
185.06003	2.0
186.06882	2.7
187.03989	2.0
187.07657	8.8
188.04774	2.7
189.05576	10.3
189.09193	10.8
190.09787	1.2
191.03520	1.3
195.27060	0.9
196.05215	1.8
197.05940	1.3
199.07620	9.8
200.04695	1.3
200.08412	5.3
201.05537	2.0
201.09215	10.1
202.06299	5.5
202.51187	1.0
203.07098	9.3
214.06427	4.5
215.07101	12.3
215.10590	2.2
216.07881	1.9
217.08659	17.5
218.09451	28.7
219.10199	2.2
224.08609	1.2
225.09204	6.3
226.09885	1.9
227.07114	3.5
227.10674	1.6
228.07919	4.9
229.08667	3.9
243.06575	5.4
243.10226	10.6
244.11008	2.7
245.08163	3.7
250.11893	4.5
260.10443	1.1
287.09241	1.3
288.10001	1.6
289.10916	1.1
297.14914	1.9
301.60147	0.9
313.14374	3.3
315.15900	1.7
323.16440	1.4
325.14581	1.5
328.28320	1.2
341.13916	3.4
350.09793	1.1
369.13516	2.6
382.12497	5.7
385.16473	4.5
387.14178	1.1
403.17358	2.1
419.17065	4.0
447.16644	24.5
448.16995	2.7
461.17987	4.1
479.19199	100.0
480.19485	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	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15246	0.8
57.03439	1.6
59.01374	12.3
60.21643	0.8
60.33972	0.9
61.98824	5.5
64.98658	0.9
65.00327	6.5
67.02267	0.9
70.43457	0.9
71.01376	8.2
72.99301	2.7
73.02939	2.2
75.00878	5.5
78.95899	3.3
81.03459	2.8
83.01359	1.5
85.02950	9.1
87.00874	3.1
89.02444	5.3
93.03445	2.8
95.01373	2.1
96.96027	5.8
96.96919	2.1
96.99277	1.0
99.00891	3.2
101.02436	3.6
105.68198	1.0
108.99311	1.1
109.02949	4.5
110.00105	2.0
111.00848	2.0
111.04501	1.2
113.02431	4.0
117.03458	2.1
119.03472	1.2
119.05074	2.1
119.05822	0.9
122.00044	1.1
125.02447	4.6
125.99589	8.2
129.01933	1.4
136.01694	1.7
136.98810	23.1
137.02438	9.1
138.62039	1.0
139.00351	2.9
140.01147	4.4
141.03444	2.3
145.02953	7.5
147.04366	1.1
149.04523	2.3
149.06059	0.9
151.00368	1.2
153.99078	4.2
155.03467	4.6
159.04527	1.8
161.02425	14.5
161.04491	2.4
163.03986	3.8
164.98291	13.3
165.04146	1.0
165.05447	1.2
165.99074	10.1
173.04494	1.9
181.01425	85.2
182.01700	2.4
185.02399	3.3
187.03961	3.7
189.99077	13.7
191.01938	1.9
191.05537	3.0
205.01447	28.0
205.03452	3.8
208.00128	2.6
209.03015	3.1
210.98894	1.0
213.02008	1.4
215.03513	3.2
220.00130	1.0
223.04529	2.0
231.02972	30.9
232.03317	1.3
235.02472	2.8
247.14664	1.2
257.00958	10.5
259.02448	34.5
260.03177	9.6
271.10733	1.2
275.05624	3.4
285.00397	36.4
286.00818	3.1
301.03452	2.5
301.11978	2.7
302.98175	2.0
303.01431	23.0
304.01880	1.2
319.08017	1.2
328.04507	1.4
343.06662	20.5
344.06677	1.1
371.06195	2.6
421.21176	1.4
422.08539	2.7
463.08569	2.5
466.07205	6.9
481.09860	100.0
481.17697	4.6
482.10205	6.5
482.18054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.0
59.01373	2.4
61.17065	0.8
67.93440	0.9
71.01353	2.1
71.48052	1.6
73.02943	4.2
76.46848	0.9
87.00867	48.7
89.67576	0.9
97.06578	2.9
101.02433	7.2
117.89134	1.0
130.99850	11.7
145.02953	2.0
145.06590	1.5
146.03740	1.5
147.04491	2.2
147.08160	2.7
149.06064	2.0
156.05739	1.1
158.03694	1.6
159.04497	3.5
160.05244	1.9
161.06009	2.4
163.03902	1.1
163.07593	2.0
163.59096	1.0
171.04521	5.1
171.08141	2.5
172.05188	4.8
173.02400	1.1
173.06058	15.1
174.03252	2.7
174.06812	5.8
175.03976	1.1
175.07639	8.5
185.06036	2.8
186.06798	3.1
187.04028	1.8
187.07629	8.7
188.04803	1.9
189.05537	8.0
189.09190	10.7
190.06320	1.4
191.03474	1.7
196.05299	3.1
197.06047	1.5
199.04039	2.4
199.07646	11.9
200.04759	2.0
200.08394	7.3
201.05498	2.8
201.09158	11.5
202.06342	6.0
203.07123	8.7
210.06830	2.8
211.25388	0.9
214.06325	6.9
215.07092	13.0
215.10709	2.2
216.07855	2.4
216.11436	1.1
217.08679	16.1
218.09439	23.9
219.10107	1.8
223.07808	0.9
225.09138	9.6
226.09822	3.2
227.07140	3.8
227.10646	1.5
228.07787	5.0
229.08701	5.5
231.06688	1.5
232.07501	1.4
243.06601	2.7
243.10213	18.2
244.10918	4.4
245.08130	4.1
250.12039	2.6
260.10406	1.9
271.13287	1.1
285.03918	1.5
287.09225	3.6
288.10043	1.9
289.10776	1.0
297.14694	2.8
311.12811	1.3
313.14413	2.3
315.16171	1.8
325.14417	3.1
328.35663	1.0
341.13788	4.7
369.13531	1.5
382.12805	4.1
385.16479	6.4
387.14355	1.3
401.16202	1.9
419.16916	4.8
447.16565	25.4
448.17032	1.3
461.18796	4.9
479.19193	100.0
480.19534	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	479.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.19892	0.5
59.01381	5.6
63.02271	0.5
68.99812	0.6
69.03458	1.1
69.63249	2.8
71.01390	7.7
73.02916	0.6
81.03458	4.3
83.01385	2.9
85.02933	0.6
89.02446	7.8
90.52745	0.6
97.02925	0.8
98.20685	0.9
99.00855	1.6
101.02444	2.1
110.44360	0.5
113.02432	0.6
115.03976	0.7
125.02448	100.0
126.02769	1.6
129.65233	0.5
130.02849	0.5
131.03514	1.1
133.78902	0.5
143.03549	0.6
149.04536	1.3
191.05627	1.9
194.62177	0.5
233.06676	3.6
238.66473	0.5
271.11081	0.8
293.08780	22.1
315.09790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
57.03452	1.1
59.01375	10.5
60.40485	0.6
61.98839	4.4
67.01891	0.7
69.01421	0.6
69.03456	0.7
69.31931	1.5
69.32337	4.1
71.01376	4.8
72.99313	2.9
73.02947	1.0
75.00864	2.0
82.91463	0.7
85.02937	3.6
87.00874	50.3
88.01237	0.7
88.98801	2.6
89.02442	3.1
93.03457	2.5
93.65745	0.8
95.05004	0.7
96.96030	1.7
99.00903	1.4
101.02427	1.8
104.82593	0.9
107.04969	1.0
109.02883	1.5
111.04552	0.7
113.02451	1.7
115.00365	1.2
119.03539	0.8
119.05032	0.9
121.02966	2.9
122.03761	4.0
123.04523	68.1
124.04830	1.7
125.02431	1.2
129.03484	0.8
130.99867	16.6
135.04527	2.1
137.02444	2.9
147.04491	4.1
148.05287	1.2
149.02441	9.5
149.04303	0.9
149.06078	23.3
150.03220	7.0
151.04012	3.4
155.03458	0.9
161.04677	0.9
163.04008	2.2
164.04791	13.0
165.01842	1.1
165.05562	15.6
166.06137	0.7
173.04530	5.0
173.05809	0.8
175.03989	9.8
177.05551	0.8
179.07118	7.7
180.04292	1.4
191.03564	0.9
191.05582	1.8
193.05055	15.5
195.02991	14.2
195.06566	2.4
199.17195	0.8
199.77148	0.6
205.03566	0.9
205.54774	0.7
208.03799	2.5
211.06093	1.2
219.02962	8.9
220.03516	0.6
223.04492	0.6
223.06142	10.1
230.68361	0.7
237.03938	3.3
241.07149	7.9
254.04300	6.2
255.05089	17.3
256.05606	1.0
303.12213	1.1
345.79138	0.7
347.17145	1.2
361.80389	0.7
389.12262	2.2
399.10818	0.7
417.11877	1.6
419.04593	1.3
419.09790	12.7
420.10181	0.9
436.91418	0.8
443.09818	2.4
443.15329	1.0
449.75027	0.8
461.10736	9.0
479.11902	100.0
479.20474	3.0
479.22171	3.0
480.12198	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	478.2934
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.67959	0.7
59.01372	0.8
59.27399	0.7
61.98828	1.1
71.10464	1.0
71.10785	0.9
72.68513	0.7
78.95894	5.9
81.21072	0.7
96.96001	1.2
140.01158	2.8
152.99612	0.9
196.03767	1.3
214.04802	2.4
216.36105	0.7
245.08499	0.8
281.24835	100.0
282.25174	8.2
380.71295	0.8
470.31091	0.8
478.29272	12.0
479.29736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
57.79779	1.4
58.00586	2.1
59.01377	17.9
61.98830	16.7
65.00316	2.2
69.03478	2.0
71.01373	10.1
71.53768	2.2
71.58307	1.1
72.99306	2.9
73.02941	4.0
75.00884	2.8
81.03447	7.2
83.01385	3.8
85.02949	4.8
87.00881	4.0
88.98817	1.1
89.02431	8.0
91.45438	1.1
93.03461	5.6
95.01388	3.6
95.05019	5.1
96.96034	2.2
97.02953	6.2
99.00877	2.4
99.04510	4.6
101.02439	5.0
102.58650	1.4
105.03416	1.4
107.01427	3.2
107.05025	1.3
108.02171	2.3
109.02942	6.0
110.06111	1.6
111.00867	1.9
111.04533	2.5
113.02425	3.8
117.48483	1.1
119.03463	1.4
119.05020	1.5
119.55534	1.3
121.02934	3.3
122.03768	2.0
122.06194	2.7
123.00843	2.2
123.04508	6.8
125.02443	29.1
131.03481	1.4
135.04453	1.8
136.01671	1.4
137.02429	12.1
138.03198	4.1
139.00464	1.7
139.04028	1.9
140.44743	1.3
145.05052	1.5
146.03659	1.5
146.06148	1.7
149.02426	5.1
149.04547	5.1
150.03255	3.1
151.00378	5.6
151.04002	2.7
152.01135	4.6
153.01968	7.0
153.05507	2.1
155.03499	1.9
160.04045	1.4
161.04547	1.4
163.00316	2.6
163.03986	5.1
164.01097	2.0
165.01904	16.3
165.05589	1.9
166.02710	25.4
167.03494	36.9
167.80916	1.1
173.04501	5.3
176.01166	3.6
177.01897	4.6
178.99860	3.1
179.03508	3.7
181.15431	1.0
187.06290	2.5
188.04723	2.4
190.02652	2.8
191.03616	1.7
191.05618	3.8
192.04214	2.8
193.01395	4.1
194.02213	12.6
197.04568	7.4
198.01672	1.5
204.06602	6.6
205.01361	1.6
205.07292	2.8
207.06767	1.6
213.05630	1.7
216.04279	1.6
218.02135	2.0
219.05269	1.9
221.00867	4.6
224.03220	3.0
231.02850	1.2
231.06499	4.0
233.04488	3.2
237.06491	1.3
245.08138	2.8
247.06175	1.7
269.04727	1.5
269.12924	2.4
271.02426	1.7
271.10614	2.3
273.07730	4.1
285.07767	1.2
285.12421	1.6
287.09085	2.6
289.07184	12.8
297.12445	2.8
298.04733	2.1
299.37427	1.4
301.07043	2.3
305.15649	1.9
311.14090	1.3
313.07291	1.8
315.08862	4.1
315.13443	3.7
316.05765	1.6
317.06448	2.9
327.13449	12.4
328.14182	1.3
329.06714	2.3
331.08231	29.2
332.08743	2.2
339.13208	1.4
341.06665	4.7
343.08218	1.7
345.14542	18.3
357.14417	1.9
359.07693	100.0
360.07712	5.8
361.09268	9.1
371.07761	2.3
371.12143	1.6
389.08783	39.4
389.13019	1.7
390.09265	3.2
435.17209	1.1
457.05527	1.2
461.10803	6.1
479.11804	57.1
479.17581	3.0
479.22174	2.0
480.12039	4.3
480.17825	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72469	0.7
57.03432	1.9
59.01374	100.0
61.98827	10.1
65.36171	0.7
69.38012	1.7
69.38420	4.2
70.25828	1.0
71.01377	24.8
72.99298	1.8
73.02949	6.8
73.39154	0.6
75.00882	1.9
83.01391	2.5
85.02934	11.3
87.00877	7.8
89.02444	7.7
93.03474	1.0
95.01396	1.0
97.02893	1.0
98.20611	1.2
99.00852	3.0
101.02438	14.2
111.00861	1.0
113.02437	9.3
119.03477	4.4
119.04988	1.2
123.04511	1.1
129.01938	1.1
132.57005	0.9
135.04495	1.2
143.03447	1.6
147.04529	1.1
149.02411	0.8
149.06096	5.1
159.02954	2.6
161.04533	16.7
163.00362	0.8
163.04111	0.8
166.96608	0.8
173.04602	1.3
173.06006	1.6
175.04056	1.1
179.05643	1.4
187.03871	1.0
191.03502	3.0
193.05000	2.6
201.05531	1.4
206.18188	0.9
215.07094	1.1
216.07784	0.9
219.03003	1.8
241.81073	0.9
243.10248	1.1
255.19502	0.8
271.02396	1.2
282.05423	1.0
292.05569	1.2
297.07657	1.0
299.01865	1.1
300.02679	3.5
315.05148	4.7
316.58572	1.0
329.22974	1.2
336.04776	2.2
339.15945	1.5
357.16882	1.3
373.22119	2.0
391.23248	1.9
417.24890	44.1
418.25113	4.2
447.94461	0.8
460.13043	0.8
477.11295	1.3
477.17679	3.0
477.31104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98830	100.0
63.82988	0.2
69.36296	1.2
69.36723	0.5
71.01404	0.4
80.97166	0.2
85.02943	0.2
86.23949	0.2
87.00870	1.2
88.98813	0.4
89.02430	0.2
93.03464	0.3
98.19950	0.5
101.02421	0.3
102.59185	0.2
106.95132	0.2
123.04558	0.4
129.09251	0.2
132.97365	0.2
137.02527	0.2
147.04532	0.3
149.02475	0.4
163.03979	0.2
165.05293	0.3
173.04555	0.6
179.07169	0.4
203.63272	0.3
243.99194	0.2
244.03369	0.2
256.03644	0.2
257.03928	0.2
289.38239	0.2
299.02081	0.4
300.02576	0.7
301.03195	0.6
313.21030	0.2
314.04022	0.3
315.04846	1.4
316.05396	1.3
346.15826	0.3
384.73413	0.2
431.62183	0.2
434.11963	0.9
434.92950	0.2
435.12836	0.3
478.10684	1.2
478.20541	0.3
479.11981	0.8
479.21423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56090	0.4
53.56565	0.4
57.03426	0.6
59.01375	100.0
60.01698	0.6
61.98827	6.3
65.06451	0.4
69.03439	0.4
69.25946	2.3
69.26375	1.5
71.01383	3.8
71.36724	0.4
72.99294	0.9
73.02946	1.5
75.00874	1.1
77.32593	0.4
82.23566	0.4
83.01390	0.5
85.02946	2.3
87.00873	7.5
89.02450	2.5
89.71450	0.4
93.03479	0.7
101.02436	3.1
110.00132	1.4
113.02477	1.5
117.03445	0.5
119.03542	0.6
119.05008	0.9
123.04539	0.5
125.02494	0.6
130.99870	0.9
137.02444	0.7
145.02911	0.5
146.03769	0.7
147.04555	1.3
148.05330	0.5
149.06116	1.9
155.03413	0.5
159.04568	1.0
159.08130	0.4
161.02362	0.7
161.04594	1.4
161.05933	0.5
162.06879	0.6
163.03943	0.9
165.99062	2.4
171.04471	0.5
173.04575	1.5
173.06075	1.4
175.04002	1.0
175.07687	1.3
179.05721	0.4
185.06096	0.6
186.06900	0.6
187.04030	1.0
187.07700	1.2
191.03568	0.7
193.05089	0.6
196.05394	0.4
197.06006	0.4
199.04012	0.6
200.04794	0.4
201.05566	0.7
203.03548	0.7
203.07164	0.7
213.05646	1.2
214.06297	0.8
215.07196	1.1
217.08784	0.6
221.19017	0.6
227.03589	0.6
227.07188	0.5
241.08873	1.6
255.03026	1.1
271.02628	1.5
273.20767	2.5
285.15094	0.7
299.02057	0.9
300.02786	3.6
311.16467	0.8
313.14590	0.9
313.98956	0.7
314.99643	0.6
315.05115	3.5
321.14938	0.5
329.17508	0.6
329.23441	0.7
331.99905	3.4
339.16037	3.8
340.16528	0.5
345.23026	0.6
347.02173	5.2
357.17072	2.9
358.17752	0.6
371.19058	0.6
375.23547	0.4
389.19833	1.2
401.16351	1.0
417.24762	2.9
433.19131	0.7
435.25885	0.5
445.15710	1.0
459.16995	1.3
477.11249	0.8
477.13855	0.6
477.17993	3.5
477.26321	2.5
477.31760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61925	1.0
59.01078	1.3
59.01377	26.6
60.99300	12.7
61.98819	4.4
67.83282	1.2
71.01385	8.7
71.53983	1.6
73.02943	3.0
75.00864	2.4
83.01391	1.6
85.02953	5.7
87.00878	28.5
88.00406	1.9
88.98802	100.0
89.02439	28.8
89.99111	1.7
91.05532	1.4
93.03451	7.2
96.96006	3.1
97.02902	1.1
99.00877	1.9
99.04499	1.5
101.02422	3.7
105.03403	1.4
107.05029	1.7
109.33243	1.0
113.02428	4.1
115.00464	1.0
119.03542	1.6
119.05012	1.9
121.02966	12.2
122.03732	4.8
122.85938	1.1
123.04504	3.5
129.01979	1.2
130.99872	5.2
135.04491	3.0
137.02444	3.6
139.07635	3.3
145.02956	1.8
147.04503	7.5
148.05293	1.3
149.01456	1.3
149.02452	15.0
149.06020	3.9
150.03174	2.2
159.04457	2.6
161.04556	2.2
163.03973	6.7
164.04776	22.1
165.05479	4.8
173.04509	3.0
173.05890	1.1
177.01965	1.5
179.03564	1.3
179.05670	1.4
179.07114	23.3
189.12772	2.2
191.03510	4.5
191.05618	3.0
192.04253	2.6
197.66951	1.2
213.12442	3.3
225.05444	1.2
227.03506	1.7
227.07082	2.3
237.14806	1.4
242.09360	1.3
249.06079	1.7
271.06195	1.3
279.12305	3.4
286.08453	1.9
297.16888	1.4
299.02026	2.3
301.10724	2.3
303.17963	1.4
315.05096	2.7
321.13348	1.7
327.04803	1.2
345.10025	2.2
371.11224	3.2
373.09161	4.9
387.11630	1.9
417.21603	2.2
433.11395	37.2
434.11792	2.8
459.05499	1.7
477.10193	14.7
477.19757	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	477.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
59.01374	24.6
60.75145	0.8
61.98825	7.1
63.95857	0.7
68.99786	0.9
69.03445	1.2
69.71381	0.6
69.79919	2.7
71.01374	16.5
72.99304	3.1
73.02946	2.6
75.00864	10.9
85.02943	15.0
87.00866	13.2
88.98756	0.7
89.02437	6.6
91.04004	0.6
93.03481	1.2
95.01398	3.5
97.06571	1.0
97.25946	0.6
99.00874	6.8
101.02426	3.5
103.00378	1.8
106.62072	0.6
109.02919	0.7
111.00880	0.9
113.02439	17.4
115.00346	1.7
117.01929	1.7
119.03454	1.4
119.05034	0.9
121.02931	3.7
125.02396	0.6
129.01926	1.4
130.99864	1.2
135.08083	0.6
137.02455	0.9
144.51997	0.6
145.02902	0.7
146.03749	0.7
147.04483	1.3
149.06056	1.9
151.04037	0.7
159.04477	0.8
161.04509	1.1
163.04028	0.8
165.03960	0.6
165.12817	8.7
172.05301	0.8
173.04500	1.1
173.05858	0.7
175.02443	2.3
175.03882	0.9
179.05646	1.1
183.13870	61.6
184.14192	1.7
187.03989	0.9
187.07608	0.9
191.03328	0.7
193.04999	1.4
205.07184	1.1
205.60750	0.7
209.11806	1.4
215.07098	1.5
227.12773	3.2
241.08609	0.9
243.02809	1.2
249.06116	4.3
255.02974	1.7
262.48267	0.7
267.07169	11.2
271.02493	5.6
273.20660	2.5
299.02039	1.6
300.02689	13.6
301.03210	1.1
301.16510	3.7
315.05081	10.9
315.08490	1.3
316.05353	0.8
329.23474	1.4
339.15833	1.8
342.13235	0.6
345.13364	0.9
357.17120	1.3
389.15353	0.8
389.19830	0.9
415.19736	5.3
417.24890	2.9
433.20776	1.7
444.49692	0.7
459.18631	2.7
477.11298	3.5
477.19714	100.0
478.20007	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	477.1617
Annotation	nonacene
Peak:m/z	Relative Intensity
50.67636	1.4
57.03440	2.4
59.01378	33.5
60.99303	15.1
61.98817	6.3
67.01920	1.9
71.01376	17.4
71.05016	1.9
71.53767	1.6
71.54173	2.0
72.99300	10.0
73.02953	3.5
75.00868	30.7
81.03468	1.9
83.01405	3.0
83.05025	8.3
85.02958	11.9
87.00876	37.2
88.98804	100.0
89.02442	9.7
93.03465	8.6
95.01363	3.1
99.00878	6.9
101.02447	8.7
103.03991	2.0
105.02116	1.7
111.04544	2.1
113.02439	12.8
117.01908	2.2
119.03465	2.1
119.05039	2.0
121.02972	7.6
122.03771	4.1
123.04514	3.8
125.02444	13.0
125.06051	2.2
130.08714	2.4
130.99835	6.2
135.04483	1.8
137.06168	1.8
139.07640	10.3
139.11282	4.8
146.07071	1.8
147.04521	7.1
147.08154	4.2
148.05363	1.8
149.02434	14.8
149.06096	3.6
150.03238	2.0
151.04059	1.7
161.04613	1.7
163.03963	4.9
164.04791	21.7
165.05527	4.1
165.09174	5.8
168.07883	2.3
173.04593	8.5
177.01918	2.9
179.05667	3.4
179.07114	23.1
181.36940	1.5
183.10280	14.3
188.04745	2.1
189.05511	2.0
191.03543	3.0
191.05612	5.6
191.07137	2.7
192.04204	1.8
205.12328	3.6
207.10303	2.0
209.08179	4.1
215.03452	2.1
223.10802	2.1
227.07120	2.6
241.05103	1.8
242.09360	2.2
244.03743	1.8
249.06218	8.3
249.11580	1.8
255.11475	3.1
259.06165	2.8
267.07141	2.8
267.09814	6.0
271.05936	3.5
279.12350	18.1
286.08533	3.9
301.10703	3.8
303.14508	3.1
315.05176	3.1
321.13318	2.5
343.12839	4.4
371.11597	1.8
373.09210	2.6
387.16656	8.1
394.49103	1.6
401.14737	2.4
415.16278	5.1
433.11365	39.7
433.17062	3.2
434.11618	3.3
459.14978	6.9
477.10184	6.4
477.15549	51.4
478.16214	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	477.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67636	1.4
57.03440	2.4
59.01378	33.5
60.99303	15.1
61.98817	6.3
67.01920	1.9
71.01376	17.4
71.05016	1.9
71.53767	1.6
71.54173	2.0
72.99300	10.0
73.02953	3.5
75.00868	30.7
81.03468	1.9
83.01405	3.0
83.05025	8.3
85.02958	11.9
87.00876	37.2
88.98804	100.0
89.02442	9.7
93.03465	8.6
95.01363	3.1
99.00878	6.9
101.02447	8.7
103.03991	2.0
105.02116	1.7
111.04544	2.1
113.02439	12.8
117.01908	2.2
119.03465	2.1
119.05039	2.0
121.02972	7.6
122.03771	4.1
123.04514	3.8
125.02444	13.0
125.06051	2.2
130.08714	2.4
130.99835	6.2
135.04483	1.8
137.06168	1.8
139.07640	10.3
139.11282	4.8
146.07071	1.8
147.04521	7.1
147.08154	4.2
148.05363	1.8
149.02434	14.8
149.06096	3.6
150.03238	2.0
151.04059	1.7
161.04613	1.7
163.03963	4.9
164.04791	21.7
165.05527	4.1
165.09174	5.8
168.07883	2.3
173.04593	8.5
177.01918	2.9
179.05667	3.4
179.07114	23.1
181.36940	1.5
183.10280	14.3
188.04745	2.1
189.05511	2.0
191.03543	3.0
191.05612	5.6
191.07137	2.7
192.04204	1.8
205.12328	3.6
207.10303	2.0
209.08179	4.1
215.03452	2.1
223.10802	2.1
227.07120	2.6
241.05103	1.8
242.09360	2.2
244.03743	1.8
249.06218	8.3
249.11580	1.8
255.11475	3.1
259.06165	2.8
267.07141	2.8
267.09814	6.0
271.05936	3.5
279.12350	18.1
286.08533	3.9
301.10703	3.8
303.14508	3.1
315.05176	3.1
321.13318	2.5
343.12839	4.4
371.11597	1.8
373.09210	2.6
387.16656	8.1
394.49103	1.6
401.14737	2.4
415.16278	5.1
433.11365	39.7
433.17062	3.2
434.11618	3.3
459.14978	6.9
477.10184	6.4
477.15549	51.4
478.16214	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	477.1971
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
55.01861	0.6
57.03462	1.8
59.01379	9.4
67.01887	0.4
68.99808	1.0
69.03448	0.7
69.75552	0.8
69.75954	1.1
71.01376	10.7
72.99310	4.3
73.02940	1.0
75.00867	10.0
81.03452	0.4
83.01389	0.6
85.02948	11.0
87.00872	4.2
89.02445	2.0
89.16437	0.4
93.03435	0.5
93.79227	0.3
95.01398	2.6
99.00877	6.8
103.00369	0.7
109.02959	0.5
109.36060	0.4
111.00898	0.6
111.08167	1.0
113.02438	12.8
115.00364	1.4
117.01929	1.5
129.01952	1.1
130.99802	0.4
157.01347	1.0
165.12839	7.4
165.33757	0.4
173.04538	0.4
175.02454	1.8
183.13887	73.3
184.14284	2.7
203.18835	0.3
205.07095	0.6
209.11786	1.4
227.12865	5.2
231.05063	0.7
232.37080	0.4
249.06134	8.0
267.07205	4.2
301.16660	3.8
415.19696	4.9
433.20959	0.7
459.18524	2.6
477.19742	100.0
478.20096	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	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98806	0.3
65.00317	0.4
69.50440	0.3
69.50848	1.1
87.00868	0.4
97.50553	0.2
107.01376	0.6
108.02166	0.6
129.81093	0.2
132.82698	0.2
135.00847	0.3
139.00362	0.4
140.09718	0.2
145.02954	0.2
148.01678	0.6
151.00352	2.0
155.04950	0.2
159.04491	0.2
163.00403	0.5
164.01173	0.4
165.99069	0.6
166.99809	0.4
171.04585	0.2
175.32011	0.2
178.99774	0.3
181.01407	0.4
183.04533	0.6
187.03925	0.3
199.03990	1.2
203.03471	0.4
215.03459	0.6
216.04247	0.6
222.06847	0.3
223.07660	0.5
226.00383	0.2
226.02654	0.6
227.03516	1.8
243.00418	0.4
243.02957	8.0
244.03481	0.8
254.02234	1.6
255.02962	17.4
256.03305	1.0
271.02451	38.9
272.02930	3.1
299.01947	10.6
300.02716	100.0
301.03107	5.8
314.04376	0.7
315.05075	82.4
316.05414	5.0
390.07297	0.3
390.27670	0.2
405.09860	0.5
441.00766	0.2
462.07977	1.5
477.10327	37.9
478.10590	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	477.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38930	1.1
53.41314	1.0
57.03437	4.4
58.05383	1.0
59.01375	15.9
61.98827	3.8
67.01859	1.0
69.03422	1.1
69.36198	2.2
69.36607	6.5
71.01384	4.8
73.02920	1.5
85.02946	3.8
87.00867	18.3
88.98802	3.2
89.02448	2.7
89.83049	1.0
93.03447	6.0
95.05016	1.4
96.95958	1.1
97.02952	3.1
98.89899	1.0
99.00882	1.1
101.02438	2.8
107.05035	2.1
109.02972	3.1
109.06587	3.3
111.04521	1.5
113.02443	2.1
119.05006	1.4
121.02924	5.3
121.06599	2.2
122.03722	5.7
123.04524	3.6
124.05267	8.2
125.06073	2.0
130.99837	3.5
135.04601	1.2
137.02446	1.7
137.06071	6.1
139.07642	60.7
140.07973	1.4
147.04533	5.1
147.08122	2.0
148.05202	1.6
149.02441	8.7
149.06065	2.5
161.04489	1.4
163.03986	3.0
163.07631	1.1
163.11215	1.0
164.04787	12.5
165.05510	1.8
168.07898	13.1
169.08656	4.3
173.04523	4.6
175.04008	1.0
177.12865	1.2
179.07117	11.6
187.11311	8.4
190.09991	1.7
191.03546	1.5
191.05566	4.4
205.12346	17.9
216.58194	0.9
217.12181	1.5
227.07211	1.3
235.13411	4.7
249.11270	3.4
251.07294	1.1
253.05072	1.3
254.04274	1.3
271.06033	1.7
279.12357	100.0
280.12769	6.8
281.04459	1.9
286.08377	2.6
301.10721	2.0
355.08203	1.4
373.09241	2.0
433.11386	30.0
433.17105	1.7
434.11581	2.1
441.17609	1.2
477.09030	4.9
477.14664	4.1
477.20932	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	477.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38930	1.1
53.41314	1.0
57.03437	4.4
58.05383	1.0
59.01375	15.9
61.98827	3.8
67.01859	1.0
69.03422	1.1
69.36198	2.2
69.36607	6.5
71.01384	4.8
73.02920	1.5
85.02946	3.8
87.00867	18.3
88.98802	3.2
89.02448	2.7
89.83049	1.0
93.03447	6.0
95.05016	1.4
96.95958	1.1
97.02952	3.1
98.89899	1.0
99.00882	1.1
101.02438	2.8
107.05035	2.1
109.02972	3.1
109.06587	3.3
111.04521	1.5
113.02443	2.1
119.05006	1.4
121.02924	5.3
121.06599	2.2
122.03722	5.7
123.04524	3.6
124.05267	8.2
125.06073	2.0
130.99837	3.5
135.04601	1.2
137.02446	1.7
137.06071	6.1
139.07642	60.7
140.07973	1.4
147.04533	5.1
147.08122	2.0
148.05202	1.6
149.02441	8.7
149.06065	2.5
161.04489	1.4
163.03986	3.0
163.07631	1.1
163.11215	1.0
164.04787	12.5
165.05510	1.8
168.07898	13.1
169.08656	4.3
173.04523	4.6
175.04008	1.0
177.12865	1.2
179.07117	11.6
187.11311	8.4
190.09991	1.7
191.03546	1.5
191.05566	4.4
205.12346	17.9
216.58194	0.9
217.12181	1.5
227.07211	1.3
235.13411	4.7
249.11270	3.4
251.07294	1.1
253.05072	1.3
254.04274	1.3
271.06033	1.7
279.12357	100.0
280.12769	6.8
281.04459	1.9
286.08377	2.6
301.10721	2.0
355.08203	1.4
373.09241	2.0
433.11386	30.0
433.17105	1.7
434.11581	2.1
441.17609	1.2
477.09030	4.9
477.14664	4.1
477.20932	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	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23602	2.1
51.79128	1.7
56.02248	2.1
59.01382	16.4
61.98826	85.0
69.77057	4.0
69.77457	5.3
71.01367	4.6
74.94176	2.0
87.00871	44.1
88.98811	4.2
89.02441	6.0
93.03471	5.0
99.00875	2.0
101.02472	2.9
107.05014	3.6
119.05024	3.4
121.02966	16.5
122.03730	5.7
123.04488	3.1
130.99852	13.1
134.03703	2.2
135.04445	3.0
137.02469	2.7
147.04533	15.9
148.01643	3.9
148.05333	3.1
149.02435	27.4
149.06035	5.7
161.99646	3.2
162.05615	3.4
162.27974	1.9
163.00331	7.5
163.04007	11.0
164.04790	42.9
165.05537	6.7
171.04509	3.7
177.01863	3.7
179.07120	45.9
187.03975	3.7
190.99817	5.7
191.03426	6.5
192.04283	5.1
193.04997	3.8
199.04013	6.8
208.03683	2.4
209.04430	2.2
215.03378	4.0
222.64616	1.8
227.03519	11.8
227.06929	4.5
242.09344	3.4
243.02907	10.1
254.04269	8.7
255.02867	9.9
256.03555	4.0
271.02463	16.2
271.05655	4.2
275.13403	2.2
282.01791	2.5
286.08292	2.3
296.03149	10.2
299.01923	37.9
300.02679	51.5
301.10809	5.6
314.04312	50.7
315.05069	100.0
316.05341	7.7
329.11316	4.4
345.15317	3.1
351.29584	1.9
357.06287	5.0
359.42294	2.2
373.09183	8.7
417.25034	3.2
433.11353	94.1
434.11557	7.6
477.10345	53.2
477.20273	2.9
478.10864	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	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10124	0.8
51.85421	0.7
57.58532	0.7
59.01372	9.3
61.98845	1.7
65.00330	1.1
68.99822	1.0
69.74371	4.3
71.01366	3.4
72.65440	0.9
73.02946	1.4
75.00857	1.0
85.02952	2.4
87.00874	31.6
88.69894	0.8
88.98801	1.2
89.02435	2.2
91.05534	2.6
93.03459	7.9
95.05035	1.3
95.36188	0.8
101.02431	2.0
105.03461	2.5
107.05014	1.8
108.02155	1.6
109.02910	1.4
113.02431	1.4
119.05009	3.1
121.02958	56.3
122.03787	6.0
123.04533	4.4
130.99881	7.9
132.04562	1.4
133.02983	1.4
134.03711	1.7
135.04543	2.2
136.98822	1.1
137.02457	3.9
139.04016	2.3
146.03729	0.9
147.04518	17.7
148.01677	1.2
148.05391	4.1
149.02432	35.2
149.06030	5.4
150.03246	4.9
151.03998	1.3
153.01942	1.1
163.03999	13.6
164.04793	59.4
165.05569	8.8
173.04497	1.1
175.03996	2.4
177.01945	1.6
179.03596	1.9
179.07130	55.6
180.04288	1.0
180.07368	1.3
183.04462	1.0
191.03488	8.0
191.05310	1.1
192.04291	5.4
193.05014	2.1
199.04050	1.6
202.16666	0.8
207.02885	1.4
207.06680	3.4
209.04520	1.8
215.03448	1.3
227.03482	6.0
227.07175	2.1
229.01375	2.5
237.03862	1.2
239.07141	2.4
242.09474	1.6
254.04317	3.8
257.08252	1.9
271.02484	9.3
271.05756	1.4
286.08536	2.1
299.02087	4.1
300.02707	3.2
301.10901	2.3
309.07434	1.4
314.04449	1.0
315.04858	4.5
327.08698	1.7
343.12015	2.0
345.11053	2.5
345.15289	1.0
371.11438	2.6
373.09232	12.4
389.08551	1.4
433.11447	100.0
433.78931	0.9
434.11722	8.2
459.05548	1.1
462.08191	6.0
477.10391	45.6
478.10657	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	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.6
61.37478	0.2
69.55987	1.3
71.01379	1.9
73.02942	0.5
79.94660	0.2
85.02964	1.0
87.00876	1.0
87.69613	0.2
89.02445	1.5
93.03474	1.0
98.19897	0.5
99.00890	0.3
101.02469	1.7
113.02481	1.0
119.03517	0.8
119.05002	0.5
121.02975	0.3
123.04510	0.5
125.02474	0.3
132.03163	0.2
137.02457	1.3
143.03502	0.3
145.02985	0.3
147.04517	2.2
148.04863	1.1
149.05040	0.4
149.06154	0.6
161.04601	0.7
173.04575	0.6
179.03482	0.4
179.05698	0.4
180.03851	0.3
191.01973	0.3
191.03726	0.3
191.05602	1.2
192.03975	0.3
193.05014	0.3
207.02962	1.8
208.03543	0.7
209.03613	1.0
222.05223	1.4
223.05757	1.2
224.06001	0.7
237.07782	0.9
238.08125	0.6
239.08305	1.3
255.05476	0.3
373.22394	0.9
415.23547	0.7
475.12262	1.0
475.29410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01374	100.0
60.01709	1.1
69.93393	1.3
71.01375	3.9
72.99297	0.3
73.02955	1.0
78.95920	0.5
82.07851	0.3
83.01388	0.8
85.02960	1.9
87.00871	6.3
87.01380	0.5
88.04040	1.4
89.02439	1.0
93.03458	0.7
96.95956	0.3
97.06618	0.3
101.02427	2.1
113.02447	1.5
115.00369	0.9
116.03493	0.2
119.03519	0.5
130.99829	1.4
132.03023	5.6
133.03394	1.1
134.03705	0.3
138.11412	0.3
147.04530	0.4
149.06041	0.4
159.04553	0.4
161.02490	0.6
161.04578	1.1
165.05560	0.3
173.02464	0.3
173.04553	0.4
173.05977	0.3
174.03313	0.3
175.07587	0.3
201.05588	0.4
211.07776	0.3
211.17021	0.3
213.02080	0.2
213.05531	0.3
215.03502	0.4
215.07196	0.4
217.08838	0.3
227.03575	0.4
234.13487	0.3
241.18169	0.4
253.08803	0.4
255.03006	0.5
268.00040	0.4
269.01004	0.3
271.09592	0.3
271.19254	1.0
298.01138	3.3
299.01776	0.5
301.20322	0.4
326.00760	0.8
335.10022	0.3
337.14633	0.4
350.10223	1.0
351.10297	0.3
355.21503	0.7
373.22223	2.1
378.11566	0.5
387.05341	0.3
412.32199	0.3
415.23300	5.0
432.05145	0.4
433.24445	1.2
443.13507	0.4
475.06708	2.9
475.17749	1.5
475.28876	1.1
476.07379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08474	0.3
54.31332	0.3
54.34665	0.3
54.55500	0.3
59.01375	0.7
61.98820	0.6
62.96418	0.4
63.30314	0.2
65.22832	0.3
69.75228	0.5
69.75631	1.0
78.95901	34.0
96.96983	1.4
122.00119	0.8
140.01189	5.6
152.99585	3.8
171.00655	2.9
181.23676	0.3
196.03789	10.6
214.04832	2.1
215.43176	0.3
261.21945	0.3
279.23273	100.0
280.23621	6.7
295.32141	0.3
332.70502	0.3
345.92111	0.3
402.23865	0.4
476.27783	42.8
477.28082	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01383	0.7
59.79672	0.3
60.88905	0.3
61.98823	0.9
63.97120	0.2
70.96080	0.5
78.95900	100.0
89.02450	0.4
89.35522	0.3
96.96956	8.5
124.08584	0.3
130.80937	0.3
131.25287	0.3
152.99574	17.9
162.12491	0.3
171.00626	21.2
172.01042	0.3
305.56088	0.3
402.24176	1.6
476.27783	68.9
477.28033	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	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.75912	0.2
59.01364	0.4
73.40261	0.1
78.95905	5.4
122.00123	0.3
140.01163	1.9
152.99557	0.8
170.84749	0.2
196.03857	0.8
208.52867	0.2
214.04854	3.1
240.64615	0.1
261.22235	0.5
279.23273	100.0
280.23618	7.3
403.90417	0.2
476.27850	11.4
476.34146	0.5
477.27951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92550	0.7
57.03434	2.3
59.01376	38.9
61.98833	2.1
69.03432	1.0
71.01380	5.9
71.54388	1.3
72.99300	1.3
73.02941	8.4
74.03268	0.7
75.00851	1.0
83.01377	2.6
83.05013	1.0
85.02931	2.9
87.00876	4.1
88.04047	1.1
89.02432	3.3
97.02972	1.1
97.06615	0.7
98.35475	0.7
101.02444	7.9
111.08149	2.1
113.02436	3.1
119.03484	0.9
125.02450	1.4
132.03023	2.0
135.04536	1.1
136.87131	0.7
143.03407	0.8
147.04535	1.4
149.04552	1.0
159.04552	1.1
161.04501	1.0
163.11223	0.8
165.12843	31.5
173.04494	1.2
175.03934	0.8
183.13889	70.1
184.14224	2.4
191.05499	0.9
195.13921	5.1
197.15559	1.0
203.05582	1.0
207.13930	3.2
209.11790	3.5
225.15016	1.1
227.12866	100.0
228.13297	4.5
235.57756	0.8
251.12839	7.8
269.13928	1.7
271.09753	3.3
284.03220	1.6
293.13904	1.5
299.05579	1.1
313.07211	2.4
335.15118	1.0
356.40002	0.8
399.14786	1.2
415.22992	1.1
431.19104	1.8
475.11899	1.5
475.21960	2.4
475.28799	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.5
59.01377	100.0
60.01715	1.4
61.01794	0.4
61.98840	1.2
69.23153	1.8
69.23575	2.1
71.01385	5.2
73.02956	1.0
75.00882	0.7
81.03486	0.4
81.41378	0.4
83.01405	1.1
85.02948	3.8
87.00869	2.4
89.02446	5.1
92.75358	0.4
93.03443	2.1
93.13842	0.4
99.00849	0.5
101.02432	3.4
109.02947	0.5
111.04601	0.5
113.02444	2.4
119.03483	2.5
119.05011	0.5
123.04532	0.7
125.02456	0.4
134.03717	0.6
137.02437	0.9
147.04608	0.5
149.06084	0.5
159.04521	0.6
160.01665	1.0
161.04576	1.8
171.10294	0.6
173.04539	2.5
173.05916	0.7
175.04050	1.3
179.05635	1.4
183.13846	0.7
191.05598	25.8
191.15257	0.4
196.05110	0.5
197.09706	2.2
201.05444	0.6
227.03624	0.5
255.02911	0.7
256.03738	3.6
257.04639	0.8
269.04428	0.4
271.06131	3.8
284.03271	0.9
299.05579	0.8
301.10675	3.2
303.68793	0.4
327.21863	1.4
339.16006	0.8
415.23264	2.2
433.24493	0.5
466.72043	0.4
475.16742	0.9
475.25137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58508	0.2
57.03428	0.4
59.01374	100.0
60.01709	1.4
61.01784	0.6
61.98821	2.2
65.01700	0.2
68.99796	0.3
69.03457	0.3
71.01374	3.9
72.99305	0.3
73.02948	1.0
75.00867	0.4
83.01375	0.5
83.05038	0.3
85.02937	1.8
87.00868	2.9
88.04076	0.7
89.02438	2.5
93.03452	0.7
95.01358	0.3
95.41413	0.2
101.02436	2.8
109.02940	0.4
111.00887	0.3
113.02425	1.5
115.00355	0.5
117.03451	0.6
119.03489	0.7
121.02961	0.4
123.04522	0.3
125.02456	0.4
126.77599	0.2
129.01909	0.2
129.03477	0.8
130.99821	0.3
132.03006	2.2
138.02043	0.3
141.03450	0.6
147.04550	0.5
148.01646	0.5
158.03661	0.4
159.04311	0.3
161.02426	0.6
161.04550	0.9
165.12859	0.3
165.98976	0.3
167.10791	0.7
169.02953	0.6
172.05179	0.3
173.04482	0.8
173.05922	0.4
175.03918	0.5
175.07387	0.2
177.01967	0.8
181.03061	0.3
183.04282	0.3
183.13826	0.5
185.02345	0.9
185.89774	0.2
186.03082	0.3
189.95026	0.3
190.99861	0.9
191.05550	0.4
195.13995	1.1
198.03220	0.4
200.04645	0.3
201.01839	0.3
202.02679	0.3
203.03502	0.3
203.05437	0.3
203.07274	0.3
212.04691	0.3
213.01941	1.5
214.02635	0.8
224.00993	0.2
225.01765	0.3
226.02870	0.3
227.03493	0.5
241.01340	2.0
242.01962	0.6
243.02898	0.3
255.03043	0.5
255.06624	0.3
256.03693	0.6
268.00006	0.6
269.00833	2.5
270.01260	0.3
271.02414	0.6
271.06848	0.3
271.09659	1.2
283.02402	0.4
284.03253	0.3
297.00366	2.0
298.01160	9.1
299.01923	1.7
299.51062	0.2
300.02695	4.7
313.03494	1.1
315.05060	3.4
316.05460	0.4
323.99045	0.5
324.99606	0.3
326.00638	3.1
327.01089	0.5
327.21683	0.4
339.01343	0.5
341.02991	0.4
355.21338	1.4
359.04022	3.9
373.22260	4.0
381.08084	0.3
403.09009	0.3
415.14328	0.3
415.23257	5.7
416.23557	0.6
422.88678	0.2
431.16992	0.3
432.05676	0.6
447.06882	0.6
460.06561	3.2
475.07660	11.3
475.18704	0.5
475.28549	1.1
476.07889	1.5
476.23062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
69.59013	4.1
71.01381	9.2
72.99303	1.7
73.02927	3.8
85.02953	0.8
87.00881	2.9
87.08627	0.7
89.02445	27.3
93.43208	0.7
99.00866	0.9
101.02447	0.8
103.04011	2.4
115.00368	6.9
118.92662	0.7
131.03522	4.9
132.02986	0.7
133.01427	16.3
133.05055	5.8
140.08890	0.6
149.04555	100.0
150.04919	2.1
191.03630	0.8
223.06102	1.1
279.88959	0.7
286.45148	0.7
417.33350	0.9
475.11542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	6.1
61.66675	2.4
71.01381	20.4
71.52188	2.2
73.02932	4.9
78.95876	2.6
87.00860	13.4
87.04475	2.3
89.02435	29.4
103.04009	2.6
115.00368	9.1
119.04996	2.0
131.03485	5.9
133.01433	20.9
133.05064	75.1
146.95425	1.9
149.04552	100.0
161.02415	2.3
164.98262	2.2
182.99275	2.6
191.05583	4.4
223.06053	4.7
229.95291	2.0
279.52615	2.1
287.71622	2.3
325.07053	1.9
329.90860	2.2
438.98282	2.0
475.10577	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	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
58.00589	2.2
59.01375	100.0
61.98808	3.8
64.61862	2.0
69.36275	16.3
71.01373	51.0
72.99300	4.4
73.02940	22.0
83.01393	5.9
85.02934	21.2
85.03400	2.1
87.00867	26.9
88.98814	4.7
89.02439	63.2
93.03436	4.0
97.02950	3.0
98.19869	2.4
99.00870	4.1
101.02432	41.7
111.00846	3.1
113.02436	14.5
119.03506	4.8
125.02465	3.9
131.03520	27.1
132.39417	2.0
147.04543	2.9
149.04544	62.0
161.04567	11.5
163.04022	3.1
173.04404	2.2
191.05566	17.2
209.11688	2.6
227.03488	2.1
233.06381	2.1
267.06821	2.2
281.08054	2.4
283.11703	9.6
297.00311	3.0
325.07166	3.8
343.08057	4.0
396.60724	2.4
415.16025	57.4
416.16235	4.7
457.07779	3.8
475.08679	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71374	1.6
51.76937	1.4
57.03447	1.7
58.00581	1.9
59.01379	95.0
61.98833	7.3
68.85487	1.7
69.03461	2.6
71.01381	57.9
71.53989	1.8
73.02938	22.8
75.00903	1.6
80.22530	1.5
83.01390	4.7
85.02947	13.0
87.00878	7.6
87.80376	1.6
87.85522	1.6
88.98803	2.0
89.02443	100.0
90.02788	2.3
93.03455	2.8
97.02956	3.2
99.00882	31.0
101.02440	41.7
113.02438	14.1
119.03505	8.4
125.02454	5.2
131.01357	1.6
131.03488	14.4
137.02457	1.8
143.03514	3.1
149.04546	69.4
159.04492	5.3
161.02397	2.0
161.04556	6.6
167.10777	3.2
173.04503	2.8
179.05595	5.0
185.72751	1.9
191.05597	17.5
210.06660	1.9
211.09764	2.2
221.06636	4.7
233.67825	1.5
238.06291	1.7
239.07095	5.4
241.05003	2.3
251.07651	7.2
252.19073	1.6
253.08748	3.6
255.02881	1.8
255.06737	2.9
263.07098	2.1
279.06601	2.7
281.08203	4.4
283.06247	1.9
290.05396	1.8
293.08755	2.9
297.00235	2.4
299.09464	2.7
301.07077	2.0
302.64117	1.4
307.06287	2.5
311.09683	2.6
313.03412	1.8
325.07098	7.3
343.08163	12.3
364.60513	1.6
382.49030	1.7
415.16061	66.0
415.22430	3.3
416.16501	6.2
431.19138	2.0
475.08865	4.7
475.17633	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80315	0.4
57.03422	0.5
59.01379	37.9
61.98816	1.8
65.00310	0.6
68.99814	0.4
69.42187	3.3
70.12355	0.4
71.01385	3.1
73.02943	0.7
76.79647	0.4
83.01392	0.6
83.05042	0.5
85.02956	2.3
87.00885	2.2
89.02462	1.3
91.41779	0.4
93.03467	1.5
96.96007	0.5
99.00878	0.6
99.04486	0.7
101.02438	1.8
111.00865	0.8
113.02447	1.2
119.03469	0.5
119.05029	0.6
123.04552	0.5
135.04546	1.0
136.98816	1.3
137.02419	0.8
137.06001	0.4
139.00357	2.4
140.01160	3.3
143.03419	0.5
145.02965	0.8
146.03731	32.4
147.04262	1.5
149.06117	0.7
155.03487	1.9
161.04605	2.0
161.06056	12.4
162.06485	0.5
163.04008	1.3
164.04793	21.4
164.98288	9.4
165.05234	0.5
165.99075	0.6
167.03551	0.4
173.04553	1.7
175.03943	0.6
179.07132	100.0
180.04471	0.4
180.07492	4.3
181.01389	2.3
182.99336	7.5
183.00925	0.3
191.03377	0.6
191.05589	1.9
191.19220	0.5
235.08070	0.5
239.07195	0.6
270.24564	0.5
281.08261	0.8
301.13171	0.8
301.16644	0.5
301.19925	0.5
316.80685	0.5
325.07068	0.9
340.47495	0.4
343.08170	0.6
371.86282	0.5
415.16043	1.3
460.08325	1.9
475.10904	11.8
475.18167	2.0
476.11417	0.9
476.17703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01378	38.7
60.98814	0.4
61.98831	3.1
64.08206	0.4
69.03455	0.5
69.17859	4.6
71.01379	7.1
72.99284	0.8
73.02941	3.1
75.00876	0.5
81.03459	0.5
83.01378	0.7
85.02972	3.5
87.00880	6.4
87.04492	0.6
88.04039	1.3
89.02460	3.2
92.80194	0.6
93.03465	2.2
95.01369	0.9
96.95989	0.6
97.02947	0.7
97.06588	0.5
99.00883	0.8
101.02448	5.4
103.04005	1.9
109.02929	1.2
111.00880	0.6
113.02411	2.3
118.98106	0.5
119.03505	1.3
121.02957	0.9
123.04518	0.8
125.02419	2.3
127.04054	0.5
130.99867	0.8
132.03023	3.7
133.03357	0.5
134.03737	1.0
137.02394	0.7
147.04503	0.6
147.55910	0.5
149.06035	0.9
155.03500	0.4
159.04460	0.5
161.02397	0.9
161.04526	1.5
163.06096	1.4
167.10767	13.1
173.04538	5.5
173.05917	0.8
174.21745	0.4
175.03946	0.6
183.04573	0.6
186.03122	0.5
197.05838	0.6
198.03189	1.4
201.01927	0.9
201.05463	0.7
204.40462	0.4
212.01175	0.9
213.01962	3.1
214.02730	2.9
215.03528	0.7
224.01172	1.1
225.01883	1.7
226.02643	0.8
227.03613	1.2
229.01303	0.8
240.00584	2.3
241.01416	2.4
242.02223	2.2
247.08232	0.7
253.01379	1.2
255.03143	0.6
256.03629	0.7
268.00067	5.2
269.00858	5.0
270.01599	1.0
271.07068	0.7
271.09665	4.0
271.19254	0.7
277.13510	0.5
279.03000	0.5
281.00790	0.5
282.01523	0.6
283.19098	0.5
284.03281	1.8
297.00378	16.8
298.01154	93.0
299.01801	15.0
299.05414	0.9
300.02637	1.4
301.20135	2.0
307.10327	0.5
313.03482	10.7
314.03549	0.8
323.99081	6.3
324.99841	3.4
326.00659	23.1
327.01074	1.5
327.21829	0.8
337.09158	0.6
339.01404	7.6
340.01581	0.6
343.06094	0.9
371.05560	0.8
387.05109	2.0
415.23380	1.9
432.04868	7.4
433.05023	0.8
433.24377	1.5
442.03265	1.0
443.03561	0.6
447.07126	6.2
448.07416	0.6
460.04102	1.1
475.06656	100.0
475.25784	4.6
476.06909	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	475.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98819	1.1
62.15825	0.7
64.28866	0.7
66.57457	0.7
70.54335	1.7
70.54706	1.4
71.01358	0.8
85.02962	1.8
91.33030	0.8
92.29507	0.7
93.03465	1.3
103.82582	0.7
106.04232	0.9
108.02157	1.6
109.02972	2.0
121.02929	1.4
121.06584	1.7
123.04480	1.7
131.05035	2.6
137.02466	1.6
141.84724	0.7
147.04524	4.9
148.05327	6.2
149.06078	100.0
150.06384	4.1
165.05566	1.2
179.07065	1.3
193.05052	37.4
194.05301	1.0
237.04042	81.1
238.04384	3.9
248.13815	0.8
318.92047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73893	0.4
57.03437	0.6
59.01376	52.0
60.68849	0.5
61.98829	2.8
65.03955	1.3
67.01869	0.7
68.99809	1.1
69.59209	2.7
71.01382	4.0
72.99297	1.8
73.02943	1.4
75.00880	0.5
83.01381	0.6
85.02965	2.7
87.00870	8.4
88.04038	0.7
88.98785	0.5
89.02439	2.6
91.05515	3.4
93.03445	3.0
95.01423	0.6
99.00872	4.3
101.02448	2.8
108.02164	3.4
109.02950	22.2
111.00855	1.0
113.02450	1.8
119.03515	0.8
121.02951	9.6
122.03726	1.9
123.04522	6.6
125.02459	0.7
130.99873	0.8
132.03043	1.6
133.03027	0.6
134.03708	3.4
135.04517	27.9
136.04823	0.7
137.02440	0.8
145.02957	0.8
146.03731	1.1
147.04506	7.0
148.05176	0.6
149.06084	6.8
150.14865	0.4
159.04362	0.6
161.04549	1.2
172.05214	0.5
173.04527	2.7
173.06052	1.2
183.04515	0.8
183.13863	0.7
185.06052	0.8
186.06816	1.0
187.07767	1.0
191.05605	0.9
193.05266	0.5
197.06093	1.5
199.04001	1.0
201.05579	0.9
203.10793	0.6
211.07590	0.5
212.04941	0.6
212.08374	1.4
213.05591	0.9
214.06259	2.7
217.08653	1.0
221.06635	0.5
221.19058	2.7
227.03506	1.1
227.12741	0.8
229.08710	2.2
236.83195	0.6
238.06308	1.6
239.07072	0.6
241.05087	2.9
253.08664	1.2
255.06683	0.9
256.07364	4.3
260.60620	0.5
265.18048	1.5
271.09732	100.0
272.10034	5.5
283.19125	2.2
301.20157	8.2
301.23355	0.9
302.20874	0.6
313.07156	1.0
327.21774	0.7
343.21091	0.8
349.09064	0.6
407.83313	0.6
415.14355	0.8
415.23270	1.2
475.11365	1.4
475.16992	2.4
475.24832	8.8
476.25842	0.6
480.75891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.0
59.01376	58.6
61.98827	7.9
65.03944	1.7
67.01869	3.3
68.23620	1.5
68.99809	1.5
69.03438	3.5
71.01379	22.5
71.05020	2.3
71.53975	1.8
72.99310	8.4
73.02937	8.6
75.00854	4.5
78.36983	1.4
81.03455	3.3
83.01366	2.9
83.05013	1.7
85.02943	25.9
86.17727	1.3
87.00874	23.3
88.98805	10.3
89.02434	13.0
92.64437	1.5
93.03451	16.2
95.01361	4.7
96.96023	3.7
97.02904	2.2
97.06608	2.1
99.00870	4.6
99.04533	1.7
101.02431	10.2
103.00358	1.6
105.03379	1.4
106.06639	2.2
107.05013	2.4
109.02934	6.1
111.00858	4.9
111.04499	4.5
113.02442	11.8
115.04038	2.2
119.03426	1.8
119.04991	3.3
121.02941	12.8
122.03737	2.0
123.04521	15.6
123.08144	2.8
123.17475	1.4
125.02446	3.8
128.01123	6.3
129.01938	6.0
130.04190	4.2
130.99841	2.0
131.03502	1.5
133.02950	3.6
135.04482	5.6
136.05290	2.0
137.02441	3.4
137.06070	4.1
142.28790	1.7
145.02893	2.9
146.03708	2.1
147.04471	4.2
149.02429	4.8
149.04497	2.2
149.06090	3.4
150.03154	2.5
151.00197	2.0
151.03990	7.3
157.06598	1.7
159.04497	13.2
161.02466	7.1
161.04517	4.9
163.04041	7.9
163.07672	2.2
164.04666	2.0
165.05482	1.6
167.05013	1.5
171.04477	2.3
171.10658	1.4
173.04530	18.0
173.09543	1.5
174.03259	3.0
175.03879	2.6
177.01895	2.1
179.07115	2.2
180.04198	5.5
181.05049	9.2
181.08717	2.4
183.04504	2.8
183.08054	2.9
185.06068	2.9
187.03955	4.1
188.91629	1.5
191.01936	2.6
191.05595	24.2
191.07173	2.9
192.06036	1.6
193.04961	2.6
193.06674	2.1
195.04459	4.3
195.08138	2.3
196.05252	6.7
197.06046	4.0
197.09666	1.6
198.03230	2.5
199.03973	11.0
199.07600	2.9
200.04756	2.4
201.05583	2.1
203.03505	3.5
207.08151	4.5
209.06071	5.4
210.06830	6.2
211.03958	3.4
211.07657	10.6
212.04770	5.7
213.05544	18.0
214.06337	28.5
215.06931	6.9
217.08597	2.2
220.05371	2.6
221.05965	2.5
222.06683	3.0
223.03986	2.9
223.07568	3.1
224.04671	4.5
225.05569	4.9
225.09129	6.1
225.11255	2.2
226.06056	2.5
227.07074	6.4
229.08690	2.1
230.05646	1.8
233.06181	2.8
234.06792	3.5
235.07648	16.2
235.09743	3.1
236.08226	2.5
237.05498	5.8
237.09164	8.7
238.06313	12.1
239.07111	37.7
240.04198	6.0
240.07780	5.6
241.04964	10.2
242.05978	3.7
243.06482	3.6
248.04689	5.2
249.05830	4.5
251.03665	2.3
251.07080	7.1
252.07738	4.9
253.08672	28.2
254.09157	2.0
255.06645	4.4
255.10220	22.5
256.03839	2.2
257.04681	2.1
257.08221	6.6
258.05270	4.4
259.05930	1.6
261.05673	3.5
262.06256	8.4
263.07108	28.9
264.07254	1.7
265.05029	9.6
266.05890	9.1
267.06857	7.4
269.08063	3.1
271.09683	3.6
272.03223	2.7
278.05859	2.2
279.06653	9.5
280.07300	5.0
281.08167	49.2
282.08447	4.4
283.06052	9.9
285.04370	2.9
285.07608	12.7
286.07874	1.6
293.08371	2.0
297.07617	13.7
298.04767	3.3
299.05899	2.7
299.09171	25.2
300.09897	2.1
301.07138	3.7
301.12915	4.4
301.16376	3.0
307.06039	6.4
311.05719	1.9
312.06436	3.0
313.07135	27.1
314.07330	2.0
315.08707	3.9
325.07132	100.0
326.07449	9.6
327.08694	2.8
341.06833	1.8
343.08173	31.7
343.11795	1.2
343.88040	1.8
344.08414	2.6
351.05264	7.2
355.08286	1.8
369.06006	10.6
387.07144	3.3
399.06891	2.3
401.14374	3.0
413.04666	1.8
443.06058	6.3
457.03876	7.8
475.12714	5.8
475.18848	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48105	0.2
59.01373	0.3
61.98829	100.0
63.73368	0.1
69.77052	0.7
98.20536	0.3
108.67293	0.2
110.00113	0.4
132.03027	0.4
136.98714	0.2
139.00342	0.2
155.03560	0.3
162.32999	0.2
165.99080	1.0
166.99861	0.4
181.01468	0.4
200.04832	0.3
213.05545	0.3
228.07925	0.5
229.08647	0.8
269.08035	0.2
324.02878	0.7
339.05130	0.8
365.85483	0.2
411.10843	3.5
411.16040	0.3
412.10992	0.2
429.71921	0.2
436.00800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07411	0.2
50.91047	0.2
59.01375	1.4
61.98825	1.1
71.01022	0.4
71.01371	0.2
78.95900	8.8
108.02061	0.2
127.07610	0.3
140.01175	2.0
152.99609	1.2
162.83902	0.2
171.00618	0.5
196.03766	1.4
214.04843	3.5
233.22733	0.4
259.20645	0.3
275.20178	0.5
277.21689	100.0
278.22034	7.4
283.09546	0.2
345.23160	0.2
352.64261	0.2
474.26212	13.5
475.26199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80420	0.4
59.01374	2.2
61.98818	1.3
69.71050	0.8
69.71450	1.9
78.95900	44.5
90.11160	0.4
90.90540	0.4
91.97150	0.4
96.96967	1.7
98.20622	0.8
122.00150	1.4
134.04720	0.5
140.01175	7.1
152.99583	5.5
159.67603	0.4
171.00600	3.1
196.03780	13.1
214.04877	3.0
259.20663	0.9
275.20132	0.6
277.21695	100.0
278.22058	7.6
413.21625	0.5
474.26218	49.8
475.26303	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53293	0.2
59.01379	100.0
60.01725	0.8
61.98843	0.8
68.65082	0.2
69.50402	0.6
69.50798	1.5
71.01386	2.2
73.02950	1.5
80.43671	0.3
83.01379	0.5
85.02969	1.0
87.00904	0.3
89.02455	0.9
93.03453	0.3
95.01411	0.5
98.19946	0.4
101.02435	2.2
101.06110	0.3
111.04548	0.3
113.02471	2.0
119.03497	0.6
125.02493	0.5
131.03552	0.3
137.02487	0.5
139.49173	0.2
143.03514	0.3
149.06137	0.4
161.03430	0.3
161.04526	1.3
163.04063	0.3
173.04572	1.0
185.55670	0.2
191.05638	0.4
193.05013	0.3
205.34169	0.3
211.07637	1.7
212.08022	0.7
267.02570	0.3
268.03818	1.8
269.04520	1.4
269.17621	0.3
276.78192	0.3
280.07153	0.2
284.03357	0.9
299.05667	1.1
300.06082	0.7
413.21634	0.7
473.10651	1.3
473.27905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.5
61.98833	0.2
69.72726	0.4
69.73131	0.7
71.01387	1.6
73.02941	0.9
83.01409	0.2
85.02973	0.5
87.00896	0.3
89.02473	0.6
93.03458	0.4
101.02449	1.3
103.11220	0.2
104.20109	0.2
113.02441	0.9
116.66684	0.2
161.04646	0.6
173.04625	0.3
191.05563	0.2
196.87038	0.2
199.93988	0.2
227.03438	0.2
255.03110	0.3
413.22076	0.5
438.98621	0.2
472.63004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90456	0.3
59.01375	100.0
60.01712	0.7
69.46095	1.5
69.46499	0.6
71.01394	0.8
73.02952	0.9
85.02927	0.4
89.02477	0.3
89.17403	0.2
98.20641	0.3
101.02445	1.1
105.10776	0.3
113.02444	0.6
134.61906	0.3
135.09100	0.3
137.14754	0.3
142.71652	0.3
169.38591	0.2
200.87398	0.3
207.63824	0.3
410.20691	0.3
473.24152	0.4
488.88211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98823	0.7
62.83858	0.6
70.80519	0.8
70.80853	1.6
81.98855	0.7
102.98851	0.8
165.97368	0.7
187.01630	1.0
325.42996	0.8
473.33218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.9
61.43693	0.4
61.98837	1.9
69.60194	3.1
71.01390	3.0
72.99283	0.5
73.02937	1.0
83.01418	0.5
84.09464	0.4
85.02957	1.3
87.00887	2.2
88.04050	2.1
89.02432	0.6
93.03445	0.7
95.01434	0.8
96.96038	0.9
101.02450	2.7
113.02459	0.5
115.00391	1.6
119.05054	0.6
121.02962	11.9
132.03035	7.6
137.02486	0.6
147.04556	1.0
161.04617	1.0
165.02028	0.7
173.04588	1.4
173.23817	0.5
181.06647	0.7
182.26485	0.5
209.15573	0.5
225.05595	0.7
227.06908	0.8
229.94691	0.5
269.08258	0.6
284.03058	1.1
285.03696	0.6
299.05685	0.9
313.07205	3.2
342.18600	0.5
355.27487	0.5
357.06335	1.8
371.20920	0.8
373.39014	0.5
385.60526	0.6
401.08713	5.9
402.04092	0.5
413.22064	1.5
473.28177	1.2
474.17950	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52016	1.0
57.03421	1.0
59.01378	100.0
61.98816	3.4
64.17793	0.9
64.21210	0.8
67.01870	1.0
69.03454	1.5
71.01379	13.3
72.99293	1.3
73.02940	9.2
74.02474	1.6
75.00854	1.2
75.64993	0.9
83.01383	2.8
85.02957	6.5
87.00870	5.6
89.02440	8.8
93.03453	3.0
97.02959	0.9
99.00861	1.3
101.02450	9.0
107.04943	1.2
107.09940	0.8
109.02921	1.1
111.04457	0.9
113.02450	5.7
115.08725	1.3
119.03490	2.5
119.04993	2.0
123.04527	1.2
125.02419	1.0
134.03793	1.3
145.02966	1.7
147.04462	3.1
149.04495	1.2
149.06053	2.5
160.01660	1.7
161.02496	1.1
161.04538	3.3
163.03961	2.3
165.04240	0.9
169.26439	0.9
173.04521	3.7
175.03996	2.2
184.19083	0.9
185.00858	1.2
188.49319	0.9
189.12857	2.3
191.03864	1.1
191.05620	4.0
193.05098	1.4
251.12819	1.1
251.23645	0.9
258.50439	0.9
267.07147	1.1
273.31635	0.9
297.07639	2.3
323.37021	1.0
387.20230	2.4
404.98438	1.1
413.17624	1.8
413.22266	1.4
429.08301	1.5
429.17868	1.8
429.23401	1.1
473.07132	4.2
473.16052	6.6
473.77957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65473	0.6
59.01109	0.9
59.01378	12.4
61.98822	2.2
65.51788	0.6
65.95510	0.6
69.03438	0.8
71.01383	13.8
71.52399	0.7
72.99308	1.0
73.02941	4.2
76.05886	0.7
78.95905	54.7
79.95728	3.5
83.01387	2.0
85.02957	5.0
87.00862	1.6
88.98801	2.3
89.02442	16.0
93.03474	3.1
95.01392	1.3
96.96008	87.1
96.96957	100.0
97.02936	1.6
98.95576	1.1
99.00886	4.9
101.02441	10.0
113.02446	3.7
115.03971	1.6
116.92828	1.2
119.03511	1.6
119.07160	0.8
125.02451	4.0
127.03970	1.0
131.03496	2.7
132.03015	0.9
135.04517	2.5
137.02409	3.6
143.03494	0.7
147.04492	1.1
149.04538	4.0
149.06100	0.9
161.04590	4.1
173.04552	2.8
179.03473	2.1
179.05455	0.8
181.67612	0.7
191.05630	1.5
233.06639	1.1
237.04062	0.9
281.12521	4.3
293.08746	0.9
297.11743	1.0
311.07803	0.8
413.16602	41.2
414.16943	2.2
473.13739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01379	100.0
61.98826	2.4
69.03456	2.5
71.01383	29.2
71.54633	1.1
72.41336	0.9
72.99297	1.9
73.02945	33.6
74.49661	0.9
75.00864	1.2
83.01380	10.5
83.05010	1.2
85.02953	8.5
87.00870	5.9
89.02444	9.7
93.03471	2.1
95.01369	2.4
97.02911	1.5
99.00861	1.3
99.04516	1.0
101.01797	2.1
101.02440	30.4
109.02902	1.5
113.02444	15.2
119.03478	3.7
119.05025	1.5
121.23602	1.0
125.02438	1.3
131.03491	3.4
134.03606	0.9
135.04521	1.0
143.03459	2.1
147.02968	0.9
147.04498	2.2
149.04521	2.3
149.06097	2.0
155.03421	1.2
161.04526	8.2
173.04532	3.1
179.05550	1.9
179.10719	1.4
185.00952	1.1
191.05635	2.3
193.05099	1.4
203.05579	1.2
215.14360	1.6
219.89507	1.0
221.06631	1.1
227.03560	1.0
249.06126	1.4
255.02959	1.2
260.09982	0.9
269.04398	1.2
281.64398	1.0
299.18591	1.7
350.90237	0.9
357.66800	1.0
413.21762	5.4
431.22821	2.6
437.18964	1.3
473.15952	7.7
473.23190	1.3
474.17349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.00616	0.6
59.01379	100.0
60.01714	1.1
61.98832	1.7
65.13395	0.4
69.03468	0.5
69.30552	4.0
71.01379	17.6
72.99322	1.2
73.02946	17.5
75.00866	0.7
83.01385	4.5
85.02953	4.6
87.00896	1.7
88.65968	0.5
89.02444	5.8
93.03485	1.6
94.09792	0.4
95.01402	1.2
97.02951	0.7
99.00881	0.8
99.04525	0.6
101.02440	19.9
111.00930	0.7
113.02445	10.8
119.03469	2.2
123.04517	0.5
125.02458	1.1
128.03575	0.5
131.03535	1.8
135.04526	0.5
143.03526	1.8
145.02985	0.4
147.04550	0.7
149.04549	2.2
149.06102	1.2
151.00404	0.5
155.03525	1.1
161.02498	0.4
161.04550	5.5
173.04515	2.6
179.03485	0.5
179.05611	0.7
191.05721	0.8
193.05045	0.5
216.12396	0.5
225.93855	0.5
255.02954	0.7
269.04654	1.5
269.17529	0.6
271.02811	0.7
284.03152	0.8
299.02179	0.5
413.21768	4.0
429.21454	0.7
431.22913	0.9
450.12012	0.5
472.62558	0.8
473.11514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.4
56.89645	1.0
57.03431	1.8
59.01376	100.0
61.98831	2.8
62.98964	1.2
67.09212	1.1
69.03434	1.2
71.01380	26.1
72.99296	2.5
73.02946	29.5
75.00883	1.9
76.98022	1.2
81.03454	1.5
83.01372	6.9
85.02950	8.4
87.00871	3.9
89.02432	12.1
93.03461	3.8
95.01384	2.3
99.00893	1.9
101.02441	27.0
101.77098	1.2
109.02966	1.1
113.02433	12.6
117.03449	1.8
119.03519	3.2
121.02945	1.9
125.02454	2.4
131.03482	3.0
132.02136	6.4
133.05092	1.1
134.03754	13.0
135.06645	1.3
137.02399	2.4
143.03551	2.5
147.04546	2.9
149.04514	5.5
149.06094	5.0
160.01651	27.3
161.04556	9.5
163.04015	1.5
171.05606	1.2
173.04535	3.3
175.03990	36.7
179.05783	1.4
191.01927	1.4
191.05582	3.7
191.07149	1.5
193.05038	20.5
207.10323	1.5
219.02856	1.6
235.06175	4.2
269.17618	2.4
311.10147	1.5
375.88571	1.3
387.16620	2.2
413.21936	2.5
429.17596	12.5
431.22791	1.9
473.16711	41.2
474.17157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
57.50827	0.6
59.01378	32.0
61.36255	0.6
61.51904	0.6
61.98808	2.5
69.03423	0.8
69.63814	3.7
71.01385	11.6
72.99310	1.4
73.02946	8.2
81.03403	0.8
83.01360	2.0
85.02947	4.8
87.00865	2.6
88.98785	2.6
89.02453	6.7
93.03437	2.2
95.01427	0.7
99.00885	1.0
101.02439	10.0
105.03434	0.9
109.02930	0.6
113.02440	4.5
117.03461	2.1
119.03496	3.1
119.05052	0.7
121.02990	0.8
125.02440	0.9
132.02167	16.5
133.02933	1.9
134.03738	34.1
135.04559	8.2
135.06639	2.4
137.02394	1.7
143.03421	0.9
147.04509	1.9
149.04562	1.0
149.06067	5.6
150.06458	0.9
160.01653	85.5
161.02174	2.9
161.04546	1.7
165.04131	0.8
173.04530	2.6
175.03995	100.0
176.04457	4.7
178.02789	1.3
179.03485	7.1
191.05588	1.3
191.07124	3.4
193.05045	46.8
194.05403	1.7
207.06647	1.0
208.15819	0.8
221.06631	0.6
235.06091	9.9
265.07275	1.2
295.08267	1.8
310.20242	0.9
337.09488	1.4
340.11426	0.7
355.10602	0.8
413.21893	0.8
429.08533	0.8
473.16791	92.7
474.16974	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	473.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11213	0.4
54.61021	0.5
57.03452	0.6
58.59785	0.4
59.01376	17.4
61.98826	2.9
62.65661	0.4
65.35409	0.5
71.01382	1.9
71.08086	0.4
71.54396	0.4
71.54767	0.4
73.02966	1.1
85.02943	1.2
87.00887	1.6
88.04047	2.4
89.02438	0.8
93.03474	1.3
96.96019	1.7
99.00879	0.6
101.02460	1.2
108.02176	1.5
109.71191	0.5
113.02444	1.0
115.00399	1.5
121.02939	3.4
123.04457	0.7
132.02097	0.8
132.03027	8.7
132.03932	0.3
133.02950	1.9
134.03673	0.6
137.02434	0.9
145.02995	1.1
147.04524	0.5
148.01669	0.5
149.06079	0.8
150.03146	0.8
155.03539	0.6
158.03667	0.5
159.04500	0.6
165.05496	0.8
173.04535	1.7
173.05971	0.7
174.04803	0.6
174.06812	0.7
175.03998	0.6
184.05231	0.6
185.06059	1.5
186.06866	2.3
193.05034	0.5
195.04379	0.7
197.05984	0.5
198.06909	1.1
209.06076	4.2
210.06850	7.4
211.04013	4.9
212.04797	1.0
225.05540	4.4
226.06317	2.8
239.03461	3.7
253.05052	6.0
254.05824	96.6
255.06146	5.6
269.08160	100.0
270.08493	6.8
280.40247	0.5
284.03415	0.5
285.03638	0.6
299.05676	0.7
359.03271	0.5
369.27908	0.5
377.11124	0.8
427.38538	0.5
431.22574	0.6
473.18985	0.7
473.27527	3.0
474.17426	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	473.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39779	0.8
56.45198	0.7
57.03428	1.3
59.01374	100.0
60.01714	0.8
61.98824	4.0
68.99797	3.3
69.03423	0.9
70.61900	0.7
71.01374	10.3
72.99294	0.9
73.02931	4.1
75.00848	0.8
77.64271	0.7
79.05518	2.1
81.03459	0.8
83.01373	2.1
85.02946	5.2
87.00860	3.7
89.02438	4.8
91.05535	10.4
93.03445	4.6
95.05040	5.9
95.05588	1.1
99.00853	3.4
99.04505	1.2
101.02435	5.1
103.05537	5.9
105.03454	10.8
108.02171	4.2
109.02953	1.0
113.02470	4.2
117.03491	1.5
119.01371	1.5
119.03511	1.8
119.05007	11.1
121.02946	8.3
125.02427	2.2
129.03444	2.8
132.03017	1.9
137.02426	4.2
137.09686	0.9
139.04002	1.3
143.03448	1.1
145.02936	5.0
146.03709	2.4
147.00856	5.1
147.04509	91.6
148.05034	3.3
149.02428	4.1
149.06032	3.0
151.00363	1.4
151.03973	1.4
153.01801	0.8
161.02457	0.7
161.04582	3.6
163.03975	1.9
164.04736	3.1
167.03542	1.1
171.04596	1.2
173.02505	0.8
173.04518	4.9
174.06281	0.7
175.04036	1.0
176.01118	1.2
177.09250	0.8
179.03484	19.1
179.07109	2.8
180.03809	1.0
191.03490	18.1
191.05318	1.3
192.04199	2.6
193.05060	1.8
205.04982	1.2
207.02960	83.0
207.06578	4.1
208.03670	7.6
211.03983	0.9
215.58203	0.9
217.01382	9.3
218.02162	3.6
222.05305	70.9
223.05988	9.4
227.03416	1.9
237.07649	67.7
238.07950	2.9
255.02837	1.9
267.07135	1.4
268.03717	5.4
269.04456	2.7
269.17493	0.9
270.05246	4.8
271.13544	0.9
273.07733	1.7
283.06058	0.8
284.03143	1.8
285.03802	1.5
299.01929	1.3
299.18710	1.0
329.06647	1.0
357.80588	1.0
362.08966	0.8
397.09396	1.8
413.21686	3.4
429.11737	3.1
473.10794	24.8
473.20233	1.6
473.28067	3.6
474.11334	1.8
474.17456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01378	9.2
61.98827	6.4
70.82603	0.3
71.01382	1.1
72.41514	0.3
73.02962	0.4
82.04134	0.3
85.02967	0.5
87.00887	0.7
88.04060	0.7
88.53924	0.2
89.02456	0.3
91.78844	0.3
92.90782	0.2
93.03461	0.4
101.02427	0.5
108.02185	0.9
109.02969	0.9
113.02419	0.5
115.00368	0.4
119.05028	0.3
121.02909	1.7
123.04533	0.3
132.03030	3.2
133.02956	1.1
137.02405	0.3
137.54332	0.3
145.02971	1.3
147.04498	0.6
149.06075	0.4
150.03244	0.4
153.12907	0.3
165.05592	0.7
165.12849	0.5
173.04559	0.5
183.04474	1.7
184.05264	0.5
185.06075	1.0
186.06885	1.0
193.05008	0.3
195.04393	0.5
197.06126	0.5
208.05284	0.3
209.06042	3.1
210.06834	3.4
211.03961	1.9
212.04788	0.7
225.05553	12.9
226.06155	1.6
235.04010	0.7
239.03439	2.3
251.07233	0.4
251.16406	1.4
252.75008	0.3
253.05037	18.0
254.05818	67.2
255.06128	3.8
268.07370	10.0
268.70554	0.3
269.08163	100.0
270.08508	6.5
377.11108	0.4
412.99179	0.3
413.12408	3.1
414.12546	0.3
448.16458	0.3
473.14621	1.2
474.17612	0.8
485.94351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	68.7
68.02540	0.7
68.99810	3.2
69.20805	6.2
71.01385	2.2
73.02948	1.0
77.03987	0.6
79.05539	2.5
81.70073	0.6
83.01379	0.8
85.02968	1.3
87.00883	1.1
91.05531	12.8
93.03467	2.2
95.05028	5.6
99.00882	0.8
101.02454	1.0
101.04006	0.7
103.05564	5.9
105.03455	14.5
106.03788	0.8
108.02178	5.1
113.02445	1.0
115.27106	0.8
117.03438	1.1
119.01295	0.6
119.05031	13.9
121.02959	9.0
126.99561	1.1
129.03436	3.2
131.05031	0.8
134.03688	0.6
137.02467	3.4
145.02942	4.9
146.03723	2.5
147.00896	4.9
147.04517	100.0
148.05035	2.7
149.02443	2.1
149.06082	3.7
151.04065	0.7
160.01662	1.9
161.02129	0.8
163.03970	1.2
164.01129	0.8
164.04781	1.9
173.02382	0.8
173.04514	0.8
175.00349	0.9
175.04005	2.5
176.01132	1.2
177.01927	0.8
179.01920	1.2
179.03490	21.4
179.07094	2.1
180.03914	0.9
187.71109	0.6
191.03490	18.3
192.04193	2.0
193.05020	3.4
205.05081	1.0
207.02971	92.5
207.06625	3.4
208.03658	8.8
217.01411	14.3
218.02155	2.5
219.02962	1.6
221.04578	1.4
222.05316	83.3
223.05975	13.5
237.07669	75.1
238.07954	3.6
279.06781	0.7
284.03107	3.0
285.03595	1.0
299.05655	3.3
299.08759	0.6
300.05786	1.5
323.05435	0.7
338.08829	0.6
371.20578	0.8
397.09238	9.0
398.09628	0.7
413.21591	1.3
429.11191	5.7
429.28638	0.9
473.10785	18.9
473.27832	1.2
474.11078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35848	0.7
57.03437	1.6
59.01378	25.6
61.98827	4.4
69.03465	1.3
69.60191	4.7
71.01379	8.3
73.02943	3.3
75.00906	1.6
81.03445	1.0
83.01392	1.9
84.95143	1.5
85.02962	5.5
87.00877	23.4
88.00389	1.5
88.69675	0.7
89.02452	4.7
91.05564	0.8
93.03471	4.7
93.15121	0.8
93.87215	0.9
93.87996	0.7
95.01392	1.1
95.05066	1.1
96.96023	1.2
96.96967	1.1
97.06574	1.3
98.20470	1.4
99.00880	1.9
99.04504	1.1
101.02446	4.8
101.03947	2.7
105.03432	0.9
109.02956	2.2
111.04543	1.0
113.02474	3.7
115.00358	0.8
115.04024	1.9
117.03485	1.3
117.05576	1.8
119.03619	0.9
119.05024	14.7
121.02941	1.0
122.03734	1.1
123.04549	1.8
124.01604	1.1
124.04057	4.0
125.02440	1.6
129.03473	14.4
130.04221	3.2
131.03520	1.4
133.02959	2.2
134.03731	1.4
135.04518	3.8
137.02449	1.1
145.02966	6.2
146.03703	3.9
147.04518	100.0
148.04933	3.8
149.02460	0.9
149.06075	24.5
150.06416	1.3
159.04512	1.0
160.01668	1.3
161.02458	2.4
161.04613	2.2
161.06104	0.8
162.03197	1.2
163.04019	2.0
173.02373	1.5
173.04578	6.5
175.03998	3.0
177.01962	1.4
177.05600	1.4
179.03473	1.1
179.07191	1.1
191.01796	2.1
191.03510	36.9
191.05544	5.7
191.07104	1.3
192.03813	1.5
193.05029	10.8
209.06035	1.0
209.08156	1.1
225.05399	0.9
235.02428	1.5
237.03983	15.5
238.04187	1.2
238.06458	1.0
249.05873	1.6
253.08841	2.1
255.04840	1.0
263.07553	0.9
265.08682	1.8
267.07047	1.5
268.03357	0.8
281.08176	2.3
286.09256	1.0
297.07901	1.1
299.11230	1.6
299.14606	1.0
309.07620	5.4
353.06708	2.6
379.04504	1.4
397.05487	1.4
413.21927	1.4
429.17603	2.1
473.06641	1.7
473.17294	5.2
474.12640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78028	0.4
53.72471	0.4
59.01379	3.6
61.98828	1.6
71.01381	3.5
71.52901	0.5
72.99302	0.5
73.02950	1.2
78.95901	50.2
79.95739	2.6
82.96886	0.3
83.01373	0.5
83.20786	0.3
85.02948	0.7
87.00868	1.4
88.98803	0.4
89.02429	3.1
93.03464	3.0
93.20843	0.4
95.45480	0.3
96.96011	100.0
96.96958	93.7
98.95619	0.5
99.00894	0.9
101.02433	1.9
113.02428	1.2
116.92863	0.5
119.03542	0.4
125.02440	0.9
131.03485	0.6
132.03032	0.6
135.04538	0.7
137.02440	2.0
147.03017	1.1
147.04375	0.4
147.06641	0.4
149.04562	0.7
149.06071	0.7
161.04498	1.1
165.04062	0.8
173.04601	1.2
177.05470	0.7
179.03561	0.4
191.05598	1.0
199.42314	0.3
248.60957	0.4
255.06599	0.4
281.12405	0.9
413.11014	0.3
413.16571	7.5
464.96927	0.4
473.13199	1.9
485.54666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	83.5
60.01715	0.8
61.98833	2.4
68.99815	3.8
69.24071	7.9
71.01383	2.7
71.67460	0.8
72.77293	0.8
73.02934	1.4
79.05514	1.4
85.02935	2.5
87.00875	3.1
89.02467	1.1
91.05531	9.2
93.03460	2.2
95.05002	5.7
96.95995	2.3
99.00902	2.0
101.02451	2.2
101.03957	0.9
103.05531	7.2
105.03456	14.0
108.02164	5.0
113.02453	1.7
119.05032	14.2
121.02936	8.9
125.02375	1.0
129.03439	2.8
132.03047	1.2
137.02409	2.2
145.02956	3.7
146.03687	2.2
147.00848	3.8
147.04517	100.0
148.04825	4.1
149.02440	2.7
149.06061	4.2
156.48770	0.8
160.01511	0.9
164.01158	1.1
164.04744	1.7
173.02368	0.9
173.04448	1.2
175.00301	1.1
175.03929	1.1
179.03484	18.3
179.07069	2.7
191.03506	22.0
192.04167	1.8
193.04980	2.7
207.02974	91.3
207.06528	3.2
208.03651	9.5
217.01431	5.6
219.03069	0.9
221.04517	1.0
222.05316	81.1
223.06041	14.6
237.07660	78.2
238.08012	3.1
284.03040	1.7
299.05978	0.9
307.33441	0.9
323.05692	0.8
397.09213	7.8
413.22119	1.6
429.11926	3.4
473.10727	21.5
474.11368	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32359	0.7
55.42709	0.7
57.03444	5.2
58.00582	1.0
59.01377	20.3
61.98832	0.9
69.03455	2.7
69.46850	5.1
71.01376	14.0
71.01734	1.3
71.05006	1.2
73.02956	1.3
81.03465	1.0
81.86075	0.8
83.05018	1.2
85.02946	2.8
87.00855	1.1
88.30811	0.8
89.02441	10.8
93.03460	0.9
95.01352	1.5
97.06609	1.8
98.20592	1.6
101.02441	8.3
109.17811	0.7
111.08165	9.9
113.02444	5.4
113.94298	0.7
119.03484	4.5
131.96312	0.7
149.06071	1.2
159.04428	0.9
163.11218	1.1
165.12834	100.0
166.13170	4.9
172.05257	1.9
173.06038	0.8
179.05565	1.4
179.17024	0.7
181.12341	2.1
183.13884	40.2
184.14320	2.2
185.06082	1.5
185.57222	0.9
191.03479	0.8
191.10728	2.7
193.05023	0.9
196.05341	1.2
197.05948	1.0
197.15425	6.9
199.04031	1.1
201.09271	0.8
207.13902	1.0
209.11829	8.9
213.15094	0.7
215.07083	1.2
225.14984	2.2
227.12840	8.9
237.04066	1.0
241.12447	1.6
243.10239	1.8
243.13860	4.0
244.11098	1.2
256.10913	0.9
265.12082	0.8
267.13885	1.6
271.13589	1.3
285.14902	4.9
287.13077	1.5
427.21075	1.8
471.20291	3.9
471.25964	68.6
472.26263	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	471.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65810	0.9
59.01374	2.3
61.98816	2.1
71.01392	1.3
71.44709	1.5
78.95886	1.0
107.33014	0.8
107.69901	1.1
113.18112	1.1
152.99625	1.8
157.39204	1.1
193.07193	1.3
195.99461	1.0
268.82635	0.9
277.21698	100.0
278.22003	6.5
296.32245	1.0
471.34784	21.9
472.34821	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	471.3476
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01370	0.6
61.98833	0.8
63.80359	0.5
69.85634	2.5
72.69917	0.5
82.37862	0.5
84.97004	0.5
114.06090	0.5
137.45506	0.5
142.60907	0.6
214.49632	0.5
237.04121	0.6
292.25891	0.6
471.34793	100.0
472.35138	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	471.3476
Annotation	2alpha,3beta-Dihydroxyolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
55.91868	0.3
61.98814	0.7
66.85764	0.3
69.53195	0.8
69.53509	2.6
72.49578	0.3
78.97211	0.3
99.24893	0.4
123.08128	1.2
135.08188	0.4
173.30037	0.4
194.01871	0.4
235.53262	0.4
377.28485	4.0
391.30072	0.6
393.31595	17.4
394.31851	1.3
409.34726	24.9
410.35172	3.3
427.35779	9.4
428.35989	1.3
453.33670	4.1
471.34769	100.0
472.35123	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	472.1584
Annotation	Raloxifene
Peak:m/z	Relative Intensity
58.74025	0.8
59.01366	3.5
61.67067	1.0
61.98827	13.2
64.39397	0.9
67.02999	2.1
71.01365	1.9
71.53032	1.1
72.47238	0.8
75.00867	1.9
78.95898	2.8
83.02498	1.3
84.04532	1.1
85.02955	2.2
87.00905	1.0
88.44894	1.0
92.05054	13.2
93.03453	0.9
93.51292	1.0
94.04112	1.6
94.63578	0.9
96.96002	8.2
96.96922	4.7
97.10572	0.8
98.02444	1.0
98.95592	0.8
102.05599	3.9
106.04102	3.1
109.04067	1.9
111.03119	2.0
116.92834	2.9
117.04578	1.0
120.04532	2.6
125.02464	5.5
126.02793	2.6
126.06693	5.2
128.03531	31.2
135.04498	3.6
135.05637	6.8
136.03993	6.4
137.02422	1.5
146.04559	6.0
147.04578	1.3
147.05612	4.4
148.04042	11.2
149.04683	1.2
149.06039	3.4
149.07121	0.9
151.06270	1.5
161.02519	1.5
163.06238	8.1
173.04530	1.1
177.05537	1.3
177.10324	6.5
179.03514	1.1
189.10316	3.9
191.05611	1.4
193.04997	1.9
203.08279	2.0
215.08250	1.1
221.04501	1.0
221.09306	9.1
233.09274	20.3
233.24979	0.9
237.03987	1.8
238.04318	2.0
258.08752	2.6
275.11441	5.8
277.08368	1.5
294.99500	1.0
300.11011	32.9
300.14447	2.1
301.11288	1.8
307.45615	0.9
343.11371	11.9
344.11499	1.0
354.26642	1.0
360.16714	2.8
385.16156	11.1
386.15149	1.7
404.15732	39.4
405.15771	1.4
411.14093	4.1
429.15262	11.2
448.60129	1.0
454.14795	4.1
472.15817	100.0
473.16464	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	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
59.01379	100.0
61.98810	5.5
69.03452	3.6
69.64702	10.3
71.01382	35.1
72.99271	2.8
73.02945	66.7
83.01400	17.3
83.05018	31.8
85.02934	8.2
87.00883	3.8
89.02428	8.9
93.03454	2.9
101.02439	47.8
102.37531	2.2
113.02453	16.6
117.03443	3.8
119.03481	5.5
119.05008	9.6
131.03505	3.2
143.03493	4.6
145.02913	9.0
147.04485	5.6
149.02409	5.4
149.04521	11.4
149.06039	17.1
161.02504	3.2
161.04559	19.4
163.03993	16.3
173.04359	2.2
189.01927	2.6
191.03494	3.4
193.05023	8.9
203.05525	4.4
205.12335	5.7
217.01401	6.7
219.03004	5.6
221.06729	3.6
221.09544	2.4
229.63634	2.5
237.03995	7.0
237.52907	2.2
271.23032	2.5
271.75803	2.4
336.07385	2.1
370.85245	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65529	0.3
55.01884	0.6
57.03458	0.6
58.03024	0.3
59.01379	100.0
60.01705	0.9
61.98837	1.4
69.34108	2.4
71.01376	4.5
71.70770	0.4
72.99298	0.6
73.02950	3.1
75.00867	0.9
81.03460	0.4
83.01392	1.4
83.05045	1.0
83.54256	0.4
85.02950	2.9
87.00886	1.4
89.02451	1.5
92.30933	0.4
93.03464	1.2
95.01402	0.6
97.06620	0.7
99.00890	0.7
101.02435	3.5
101.06078	1.1
109.02976	0.6
113.02435	2.1
117.03548	0.4
119.03587	0.7
119.05023	4.4
120.05388	0.3
125.02393	0.4
133.02948	0.5
137.02472	1.1
143.03505	0.4
145.02946	3.0
147.04514	0.8
149.04585	0.3
149.06116	1.8
161.02463	0.9
161.04573	1.1
163.03970	2.7
165.09235	0.4
173.04546	1.5
175.04005	0.6
177.04153	0.3
191.05586	0.5
193.05107	1.4
208.91808	0.3
223.13373	0.6
237.03983	1.6
249.14972	1.4
278.27295	0.4
297.17175	0.8
299.02005	0.4
300.02762	0.4
307.08255	1.2
351.12817	0.8
411.20276	0.6
471.14505	1.1
471.22421	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37643	1.1
57.03424	3.0
59.01379	100.0
60.36298	1.0
60.99291	2.7
61.62464	1.1
61.98816	4.1
67.01886	1.4
68.74549	1.1
69.03445	3.6
71.01379	37.8
71.54174	1.1
73.02946	47.9
75.00871	2.1
75.85007	1.0
75.85802	1.2
79.99580	1.3
81.03455	1.8
83.01388	14.0
83.05023	25.8
84.93362	1.5
85.02972	8.9
87.00869	8.4
88.98803	25.1
89.02433	9.6
93.03434	5.7
95.01402	1.5
97.02928	1.8
99.00872	2.6
101.02441	45.7
113.02444	14.8
119.03483	5.4
119.05021	2.0
121.06580	3.2
123.04533	1.4
124.01616	1.1
124.07661	1.2
125.02428	2.5
127.74577	1.1
131.03467	3.6
134.03777	1.4
135.04590	1.5
137.02420	1.6
141.54056	1.2
143.03477	3.6
145.02928	2.7
147.04471	3.8
148.05315	2.1
149.02399	2.6
149.04526	6.2
149.06049	20.1
151.00337	3.2
155.03502	2.9
161.02394	4.0
161.04552	14.0
163.04005	3.2
173.04559	9.8
175.03932	3.5
179.07059	1.2
189.01851	1.5
189.05528	1.5
191.03511	1.5
191.05511	4.1
193.05093	8.2
201.02028	1.2
203.03720	1.2
205.12277	3.1
206.00508	1.2
217.01463	1.2
221.06522	2.7
232.36267	1.3
235.02223	1.4
237.03969	8.1
251.06929	1.3
279.06573	2.4
323.05475	1.5
339.08655	3.1
346.11707	1.3
349.08777	1.3
350.04373	1.1
365.06448	1.6
370.77817	1.6
383.07123	1.6
409.05502	1.5
453.18765	1.5
471.19705	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	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
59.59549	1.4
69.77536	5.2
71.01386	1.2
85.02971	1.6
89.03944	1.6
90.12944	0.9
98.20624	1.3
108.02176	2.3
109.02945	1.7
116.20708	1.1
121.06590	1.5
123.04560	2.3
131.05023	2.9
147.04495	4.9
147.27377	1.0
148.05301	8.0
149.06076	100.0
150.06410	3.9
160.01683	1.5
161.02440	17.4
179.76849	1.1
184.66568	1.0
189.01965	5.5
193.05043	42.7
233.00923	2.6
237.04034	77.4
238.04327	4.1
437.13547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03439	1.2
58.00596	1.4
59.01377	100.0
61.98842	2.6
69.03472	2.5
69.73841	4.1
69.74250	2.8
71.01007	2.5
71.01381	39.6
72.99323	2.2
73.02946	52.8
81.03483	1.4
83.01399	12.3
83.05025	29.7
85.02932	9.7
87.00869	5.3
88.98843	1.4
89.02442	7.0
93.03465	4.1
98.19946	2.0
99.00854	1.6
99.04534	1.5
101.02446	44.4
101.03117	2.9
111.04529	1.5
113.02453	15.3
115.05124	1.3
117.03452	3.2
117.63757	1.1
119.03516	4.8
119.05024	25.8
121.06582	3.9
123.04530	1.4
125.02505	1.9
125.90347	1.3
131.03508	4.1
134.03732	3.0
137.02400	2.6
143.03519	4.3
145.02937	12.5
147.04520	4.9
148.05305	2.3
149.02409	1.8
149.04564	7.1
149.06065	37.6
149.15033	1.3
155.03564	2.8
160.01639	1.8
161.02426	5.5
161.04544	18.5
162.52850	1.4
163.04008	35.4
164.04431	1.3
168.25067	1.2
173.04527	4.4
175.03987	4.1
177.01924	2.0
189.01945	5.5
191.03522	1.5
191.05638	4.3
193.05078	16.6
193.06828	2.0
203.05527	2.2
205.12399	4.0
217.01428	2.4
219.03008	3.2
221.06578	2.8
227.19841	1.2
237.04031	20.3
257.26328	1.3
267.15756	1.4
325.03531	3.6
365.06641	1.6
370.97495	1.3
427.06955	1.8
471.14273	7.0
471.24445	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	470.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
58.00575	0.9
59.01378	7.8
66.23634	0.6
69.47704	4.0
69.48108	1.4
70.19359	0.8
71.01382	13.1
73.02942	9.0
83.01382	3.1
85.02948	6.8
87.00874	1.0
89.02434	2.8
95.01386	1.1
97.02995	0.7
99.00874	2.7
101.02444	18.2
112.98785	1.9
113.02439	5.6
115.51397	0.7
125.72637	0.8
126.05589	1.7
129.01898	0.9
141.16240	0.8
142.05090	2.0
143.03496	1.2
144.06660	81.5
145.01459	2.2
145.07030	1.7
159.02930	0.9
161.04567	5.6
182.84729	0.8
193.07161	45.2
194.07468	1.4
243.70152	0.8
325.11368	100.0
326.11526	5.1
327.11957	0.8
470.10413	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03439	0.8
59.01379	7.5
69.03470	0.9
70.77888	0.8
71.01383	5.9
71.05020	0.7
71.35131	0.7
71.35513	1.3
73.02940	1.4
75.00909	1.0
78.36800	0.8
78.95905	36.3
81.03458	1.6
83.01392	1.9
85.02966	5.6
87.00881	2.0
89.02448	2.3
95.01445	0.8
96.96014	33.6
96.96966	59.9
97.02944	6.4
99.00881	1.2
101.02449	1.8
109.83321	0.8
113.02437	3.6
117.05587	2.4
119.03531	1.0
125.02448	100.0
126.02799	2.9
128.03571	1.0
129.01985	1.7
131.05029	3.2
144.06671	7.6
145.02948	2.5
147.04521	1.1
149.04547	0.8
149.06064	4.7
161.02405	1.1
169.79042	0.8
173.04587	2.0
177.05580	1.7
190.70520	0.8
191.05490	1.2
193.05228	1.7
193.07166	3.6
194.07536	0.9
203.03569	6.8
203.05437	1.4
213.50761	0.7
237.04083	3.4
249.05995	0.8
253.38724	0.8
267.07193	4.7
279.10864	9.7
297.09570	1.2
320.80035	0.7
325.11331	5.5
326.11810	3.1
329.08878	3.2
413.01056	0.7
471.11865	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	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
59.01382	3.9
59.20358	0.6
61.98825	13.1
66.83030	0.6
67.01871	1.0
67.67472	0.7
69.77276	3.4
70.85414	0.6
71.01377	2.0
72.99310	0.6
73.40220	0.6
75.00867	2.2
78.95887	1.3
85.02940	1.9
87.00895	1.0
89.02418	1.1
93.03462	1.8
113.02441	1.1
119.04984	0.8
135.04524	1.2
137.01357	0.7
137.02428	11.5
137.06062	1.0
151.03978	1.6
161.02484	3.3
163.03958	0.8
163.07617	0.8
164.01138	1.5
165.01907	81.1
165.03880	3.3
166.02361	3.2
167.03348	0.6
173.04550	2.8
177.05602	0.8
179.03468	13.9
180.04254	51.1
181.04782	3.3
182.72008	0.6
183.06494	0.6
189.01886	2.2
194.05798	2.7
195.06606	100.0
196.06979	4.4
210.05286	7.5
211.05894	0.8
225.07661	33.2
226.08078	1.7
243.08759	4.1
245.08287	0.6
249.09450	0.8
295.11749	1.0
319.05756	1.1
331.08228	2.2
337.07214	1.4
345.09793	0.8
346.10492	1.5
361.13016	4.6
363.05219	1.0
407.04330	1.6
421.14996	14.8
422.15527	1.4
469.17175	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	469.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54034	2.1
55.49017	1.5
56.24857	1.7
56.43881	1.9
57.03432	1.9
58.00590	3.3
59.01378	79.7
61.98827	27.0
71.01379	66.5
71.53073	2.4
72.99301	2.6
73.02939	20.0
75.00877	2.6
83.01385	3.0
83.39471	2.1
85.02959	11.4
86.97143	1.8
87.00870	6.8
89.02443	100.0
93.03456	3.0
94.10740	1.8
95.01368	2.9
96.96017	3.3
97.06581	2.8
99.00879	16.7
101.02441	48.2
111.00879	2.1
113.02447	13.9
116.96696	1.9
119.03484	7.4
125.02419	5.2
126.48756	1.6
131.03497	27.1
136.90298	1.8
137.02435	8.0
143.03441	2.7
143.67830	1.5
149.04549	79.7
150.86101	2.1
161.02426	6.7
161.04561	5.8
163.86969	1.6
165.01907	13.1
173.04509	7.1
179.03555	3.0
180.04280	11.1
189.01913	3.2
191.05598	18.3
195.06625	23.2
221.06612	3.6
221.79126	1.9
225.07635	9.3
227.03517	2.2
247.07518	2.0
251.07632	6.3
251.12796	2.5
277.12918	7.8
291.06516	2.3
293.08243	4.9
295.11786	5.4
311.09698	3.9
337.07132	4.0
361.12704	2.6
407.04074	2.4
409.17130	63.4
410.17560	3.5
421.14886	4.1
433.13351	4.1
469.04251	2.1
469.18658	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	470.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03450	1.3
59.01383	9.1
67.14892	0.9
70.68452	2.1
71.01377	14.1
72.99310	1.4
73.02946	9.4
75.00852	1.0
83.01418	2.6
85.02929	6.9
87.00886	1.6
89.02447	3.4
99.00866	4.9
101.02433	21.7
111.00876	2.0
112.04087	1.1
112.98798	3.3
113.02434	5.9
113.99161	1.3
122.67036	0.8
125.02442	1.4
126.05592	1.8
128.03552	9.3
129.01926	1.9
130.26019	1.1
138.27719	1.0
142.05096	2.8
143.03500	1.5
144.06662	84.2
145.01425	3.0
145.07040	1.4
158.04620	2.3
159.03006	1.4
161.04565	6.5
173.00937	1.3
191.05714	1.0
193.07162	53.7
194.07469	1.6
198.91435	0.9
263.05890	1.5
264.06168	1.4
325.11371	100.0
326.11591	4.8
452.09357	1.0
470.10013	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	469.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.6
61.98813	8.8
70.81256	3.3
71.01353	5.2
73.74274	1.4
78.95890	3.2
81.03458	2.9
81.37684	1.2
83.01386	1.9
83.04997	1.7
85.02922	2.6
89.02451	3.6
90.07343	1.3
96.95986	2.6
101.02436	1.6
113.02400	2.2
125.02438	100.0
126.02726	1.9
137.02414	2.7
142.23253	1.6
149.04559	2.7
151.25092	1.4
161.02383	3.8
165.01936	10.3
173.04561	2.6
179.03542	2.1
180.04247	6.0
189.01952	2.5
195.06598	16.4
225.07550	3.8
313.78796	1.4
343.07794	4.9
409.17233	2.3
421.14957	3.2
469.11008	24.0
469.17352	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	469.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45285	3.1
59.01364	11.3
61.20517	3.2
61.98832	10.0
64.93703	3.1
69.03461	4.0
69.65581	3.1
70.19006	6.0
70.19357	10.0
71.01351	10.2
73.47200	3.1
85.02943	22.3
86.03285	4.0
87.00847	6.9
89.02457	4.3
91.64655	3.5
93.03451	8.4
99.00845	4.1
106.06528	3.3
113.02485	4.3
119.05048	5.0
147.04546	6.5
149.02431	5.8
159.04593	6.7
161.02382	11.5
163.04091	4.2
171.04462	8.0
173.04553	9.4
191.01991	4.8
191.05669	5.1
199.03906	10.7
203.08636	6.6
204.05768	5.8
208.05301	4.9
209.02992	9.9
210.03365	7.1
211.03697	10.4
218.07314	4.5
219.08092	10.3
221.06081	7.7
221.09665	4.3
222.06857	5.0
223.04256	7.0
223.07600	5.4
224.04773	11.6
225.05495	10.9
227.03477	48.3
231.08044	13.0
232.05261	15.4
233.06052	21.0
234.03169	8.3
234.06801	7.9
235.03984	9.3
235.07535	14.9
236.04735	14.7
237.05554	6.9
237.09143	6.6
245.05940	8.5
246.06836	6.0
247.04039	5.7
247.07637	39.3
248.04681	8.1
248.08009	5.5
249.05545	29.2
249.09196	11.5
250.02652	11.9
250.06276	9.0
251.03403	12.6
252.04138	8.9
253.05040	11.8
254.05722	19.1
257.06021	7.9
260.04666	25.5
261.05566	20.2
263.03528	24.6
263.06989	25.3
265.04962	11.2
265.08716	19.8
272.04800	9.7
273.05527	25.4
274.06232	7.8
275.07083	54.9
276.04346	9.8
277.05002	16.6
278.05838	59.3
290.05615	4.6
291.06625	58.8
292.07065	5.3
293.08163	60.9
294.08481	5.8
301.05023	17.5
302.02127	4.5
303.02875	15.3
304.03607	11.1
317.04556	6.8
319.06076	100.0
320.06201	5.6
324.02789	5.8
335.05658	11.3
345.04025	7.1
363.05103	89.8
364.05380	9.0
407.04050	37.8
433.01886	9.7
450.96664	5.1
451.03012	84.8
462.51489	3.8
469.04181	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.7
61.98540	1.2
61.98832	17.8
71.01369	2.2
71.11589	1.4
71.11941	1.1
78.95901	1.2
84.88577	1.0
85.02944	4.3
86.60268	1.0
87.00861	1.4
88.72052	0.9
88.98832	1.8
89.02434	1.3
89.03982	7.3
93.03423	2.0
99.07452	1.0
101.02416	1.2
105.03458	1.7
113.02421	1.5
117.03481	1.9
123.04477	1.0
130.04189	1.0
133.02950	3.4
134.75200	1.0
137.02420	1.6
138.01959	2.5
145.02982	6.7
146.03693	2.3
147.04510	3.1
160.01665	5.3
161.02440	100.0
162.02757	2.9
165.01891	3.9
173.04514	4.4
180.04253	2.8
180.05682	2.0
187.06358	1.0
189.01930	66.0
190.02303	2.3
191.05557	1.2
191.72070	1.0
195.04796	1.1
195.06587	6.4
195.08067	1.2
196.05260	1.2
207.02933	3.0
208.05206	2.2
208.39026	1.0
208.99248	1.0
209.02979	2.3
211.03828	1.0
211.07559	1.1
219.08156	3.7
220.08936	2.8
221.06079	2.4
221.09785	4.7
222.06871	1.6
223.03851	1.1
223.07507	2.1
224.04726	1.2
225.07614	2.8
232.05281	1.5
233.00917	27.9
233.05977	3.3
234.01155	1.9
234.06755	1.7
235.02238	1.1
235.07587	2.7
236.08444	1.1
237.09122	3.5
246.06877	1.5
247.07608	6.3
248.04756	1.6
248.08316	3.4
249.05403	3.1
249.09189	10.9
250.06310	1.1
251.07179	1.8
252.04289	1.6
253.05067	1.4
263.07126	4.1
265.08667	6.3
273.05502	3.0
274.06030	1.2
275.07117	8.1
277.04910	1.5
278.05826	1.6
281.04553	3.0
288.64200	1.2
291.06616	7.2
292.07224	1.1
292.10379	1.3
293.08142	9.7
294.05051	1.1
294.08209	1.2
298.04578	1.1
306.75253	1.0
308.03113	1.1
309.07339	1.1
311.69763	1.0
319.06033	7.1
321.15009	1.0
335.05081	1.4
337.07098	17.8
337.10944	1.4
338.07297	1.5
345.04282	1.8
363.05020	12.2
364.05432	1.2
381.06082	10.1
387.15741	1.0
389.03275	1.1
407.04047	24.9
408.04810	1.5
415.19391	1.1
425.05194	9.1
451.02887	1.3
469.03958	1.8
469.18616	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	467.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32845	0.7
55.01870	3.0
57.03447	24.0
59.01379	18.2
61.98824	2.0
68.99796	0.6
69.25244	3.8
69.25668	2.4
71.01382	13.5
72.98928	0.6
72.99302	2.7
73.02924	0.9
75.00876	2.1
80.96508	1.0
83.01376	1.8
84.02161	2.2
85.02947	100.0
86.03281	1.4
87.00866	3.0
89.02460	5.6
90.02309	0.6
93.03447	1.7
96.95986	0.7
98.20776	0.6
99.04503	7.1
101.02460	4.2
103.00365	2.3
109.02947	1.5
111.00890	1.0
115.00323	1.1
116.92936	0.8
125.02445	2.9
129.01949	7.3
133.01422	5.1
133.02988	1.1
134.03772	3.5
136.01625	0.7
137.02426	1.3
145.03040	0.8
145.07697	1.3
147.02989	9.8
159.04436	0.9
160.06380	4.1
161.04581	3.9
161.07205	14.3
164.42975	0.7
173.04565	4.3
175.08760	10.3
178.02678	0.9
187.07480	3.7
187.09045	0.8
189.06686	23.7
190.07002	0.9
191.01971	30.9
191.05573	1.9
192.02216	0.7
201.10394	1.7
202.06407	0.8
203.08273	10.2
203.11868	2.0
209.03011	80.1
210.03337	2.0
213.09177	0.8
217.10199	0.7
229.09799	6.0
231.10249	3.0
275.09256	3.6
277.12006	1.2
288.70758	0.6
293.10428	3.8
298.50043	0.7
305.11420	21.3
306.11795	1.8
323.12469	37.4
324.12759	2.3
365.13486	4.7
407.19241	0.9
449.10840	0.7
467.11230	1.2
467.16568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02157	0.2
51.82586	0.3
57.03457	0.7
59.01379	6.2
60.01730	0.6
61.01810	0.4
61.98827	100.0
64.90926	0.3
69.42436	1.9
71.01393	1.0
78.95910	0.4
83.22432	0.3
85.02945	4.3
86.03300	1.1
87.00893	0.7
89.02431	1.0
93.03450	0.5
101.02456	0.6
113.02459	0.4
129.01982	0.4
137.02426	2.7
137.03268	0.3
141.01945	1.2
142.02277	0.8
147.02975	0.4
151.04102	0.4
161.02379	1.3
164.01227	0.5
165.01924	17.9
166.02776	0.3
166.99808	0.5
173.04526	0.7
179.03484	2.9
180.04271	12.9
181.04922	0.3
182.84474	0.3
189.02028	0.7
191.02008	1.1
192.02298	0.6
194.05881	0.9
195.06613	23.9
209.03070	1.5
210.03409	1.0
210.05379	1.8
225.05440	0.6
225.07652	8.6
243.08698	0.8
248.04626	0.4
277.04782	0.5
293.08398	0.3
331.08228	1.0
346.10721	0.4
347.06363	0.8
348.06525	2.0
361.13046	1.1
362.03610	0.4
406.02756	0.4
407.04114	0.3
408.22934	1.2
421.15070	4.1
468.08459	0.4
469.17444	1.0
469.95273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03437	0.8
58.14640	0.5
59.01379	100.0
59.83426	0.5
60.01728	0.7
61.77436	0.5
61.98829	1.7
69.62773	1.8
69.63204	1.5
71.01385	9.9
73.02962	2.1
75.00889	1.2
78.95916	1.2
83.01428	0.6
85.02956	4.0
87.00874	0.7
89.02451	6.0
91.03699	0.5
95.01405	0.9
96.96019	9.6
96.96990	2.0
97.39712	0.5
98.20642	0.6
99.00906	1.3
101.02436	6.3
113.02447	4.7
113.03159	0.6
113.17771	0.5
119.03492	2.6
129.01892	0.5
134.03745	0.6
141.09222	1.7
143.03528	0.8
159.03053	0.5
161.04544	9.1
179.05644	1.3
198.48959	0.5
243.15990	8.3
405.21271	28.4
406.21719	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17271	0.4
55.01870	1.6
57.03441	7.8
59.01375	8.5
68.99812	1.0
69.45071	3.0
71.01381	12.0
72.99324	2.1
75.00873	2.0
78.95998	0.4
79.39773	0.4
82.95395	0.5
83.01368	1.6
84.02147	1.9
85.02946	79.9
86.03281	1.2
87.00863	2.5
89.02436	5.8
93.03457	1.0
97.70498	0.4
100.34641	0.4
101.02448	0.9
103.00363	2.1
111.00897	0.5
113.02448	0.7
115.00378	0.8
127.04041	0.7
129.01947	4.6
133.01425	6.3
138.05621	0.7
142.17439	0.4
146.88954	0.5
147.02997	6.2
161.02431	0.4
165.04056	0.6
167.56862	0.5
168.93190	0.5
173.04549	1.8
175.07559	0.5
187.07655	4.0
191.01961	23.3
191.05562	1.2
202.06252	0.9
203.10921	0.5
209.03014	100.0
210.03371	2.8
213.09213	1.2
231.10246	2.4
257.08148	1.2
275.09183	2.7
276.61722	0.5
293.10153	0.7
306.55905	0.4
421.63660	0.4
439.68265	0.5
459.68759	0.5
467.16245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46154	0.4
55.01867	1.3
56.02835	0.4
57.03450	7.7
58.00602	0.5
59.01105	0.8
59.01379	7.6
61.98838	0.6
66.79594	0.4
68.99815	0.5
69.35649	3.3
71.01383	11.7
72.49287	0.4
72.99318	1.0
75.00867	1.5
83.01386	0.8
84.02174	2.1
85.02951	74.0
86.03291	1.2
87.00879	1.8
89.02434	4.9
101.02457	0.6
103.00378	1.7
115.00334	0.8
119.55424	0.5
129.01956	5.0
133.01439	7.2
147.02982	5.0
172.05360	0.7
173.04591	0.9
184.69135	0.5
187.07639	5.3
191.01968	23.8
209.03021	100.0
210.03365	2.5
231.10258	1.5
257.08228	1.0
275.09265	0.9
391.42636	0.5
467.12000	1.3
478.85083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.8
56.61506	0.7
57.03448	14.3
59.01371	8.7
67.01848	0.9
69.92283	3.5
69.92616	0.8
71.01376	5.7
72.99310	6.9
73.02938	1.6
75.00854	1.5
79.80499	0.6
83.01389	2.4
84.02157	2.8
85.02946	100.0
86.03271	1.8
87.00864	1.8
89.02444	2.3
93.03448	1.9
98.19906	1.0
99.00882	1.0
101.02424	2.2
102.40682	0.8
103.00360	2.2
109.02958	0.9
111.00875	1.1
115.00352	0.9
121.02920	1.2
129.01927	8.0
133.01436	1.5
133.02962	3.6
134.03723	7.3
135.04541	5.2
137.02437	6.6
139.03990	1.4
147.02995	16.1
147.04214	1.3
148.05287	1.9
150.03264	1.3
153.27228	0.8
161.02437	4.1
161.06090	1.3
162.03146	0.8
163.02448	1.9
173.04510	4.0
176.04726	0.8
177.01900	2.4
178.02689	11.1
179.03481	4.2
189.05565	14.4
191.01961	50.9
192.02359	1.3
192.04051	0.8
209.02965	7.7
246.05255	0.8
275.09415	0.9
326.06470	7.4
352.04282	1.8
370.05399	12.9
371.05627	1.2
467.12332	1.6
467.18048	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.176
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
71.30895	2.1
78.45541	0.9
85.91544	0.8
87.00873	100.0
95.96529	0.9
97.06567	3.0
122.03728	2.1
130.99858	49.8
137.02380	0.9
145.06606	1.8
146.03764	1.4
147.04539	2.5
158.03690	1.9
159.04561	1.3
171.04457	1.1
172.05243	2.1
173.06056	17.3
174.03224	1.3
174.06892	5.4
175.07643	4.7
185.06137	1.1
186.06821	0.9
187.07626	3.1
188.04660	1.9
189.05507	2.3
189.09108	3.3
196.05231	1.5
199.03946	2.5
199.07603	2.9
200.04764	2.2
200.08234	1.3
201.05502	2.2
201.09100	3.1
202.06430	1.1
203.07117	4.7
211.13358	1.2
214.06326	1.8
215.07114	7.0
215.10574	1.3
216.07637	1.8
217.08629	8.8
218.09462	11.3
219.10152	2.6
227.07141	4.9
228.07864	8.5
229.08730	4.4
243.06606	3.1
243.10176	3.7
245.08144	2.3
254.04297	47.6
255.04666	2.0
260.10565	1.7
271.13507	1.2
313.14279	2.3
315.15897	1.9
325.14371	2.0
341.13910	1.8
343.15439	1.4
369.13474	1.2
385.16409	1.6
387.14441	4.1
403.17621	1.1
405.15448	1.3
408.94922	1.0
447.16599	28.7
448.16727	2.7
465.17599	83.6
466.17853	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	465.1759
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
50.98440	0.7
56.12229	0.6
57.03463	1.4
57.71809	0.7
59.01371	1.4
69.23586	6.4
71.01377	1.6
73.02956	1.0
77.30508	0.7
87.00874	28.7
97.06577	2.3
101.02432	1.7
101.10423	0.7
117.66080	0.8
119.05008	1.5
121.02947	5.2
122.03737	9.1
130.78314	0.8
130.99857	8.5
135.04460	0.9
137.02452	1.7
145.02893	1.3
145.06567	1.8
146.03705	0.9
147.04517	9.2
147.08145	1.3
148.05267	1.7
148.57863	0.7
149.02473	0.8
149.06018	1.1
158.03714	1.7
159.04449	1.6
160.05418	0.6
161.06094	0.8
163.04004	2.4
164.04724	1.8
171.04504	0.7
172.05232	1.8
173.06076	17.7
174.06837	5.7
175.07613	4.3
183.13873	1.0
186.06865	1.1
187.04034	1.4
187.07640	3.5
188.04790	2.7
189.05513	2.2
189.09227	2.5
191.03485	1.7
192.04256	2.4
192.07921	0.9
193.65295	0.7
194.02211	1.5
199.04005	3.4
199.07648	2.6
200.04704	1.6
200.08412	2.8
201.05630	1.3
201.09233	1.5
202.06320	2.1
203.07104	3.2
211.13390	11.6
214.06308	1.8
215.07065	4.7
217.08670	9.6
218.02139	1.8
218.09494	10.2
219.10330	1.8
225.09131	1.7
226.09488	0.9
227.07111	4.4
228.07893	11.1
229.08698	5.0
243.06554	3.1
243.10150	3.2
245.05678	0.8
245.08081	2.0
254.04317	5.7
260.10431	1.6
261.11252	1.1
271.13297	0.9
288.09830	0.8
325.14514	1.6
341.13901	1.2
368.10739	1.3
369.13272	0.9
387.14209	3.6
403.17386	1.0
405.15433	1.7
427.29327	0.8
429.15680	1.2
447.16550	17.0
448.16791	2.1
465.17603	100.0
466.18033	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03449	0.6
59.01377	100.0
59.68226	0.4
60.01728	0.6
61.98827	3.2
62.06822	0.3
69.44326	2.3
69.44727	0.6
71.01380	9.0
72.99310	0.7
73.02946	2.5
75.00864	2.3
75.13249	0.3
83.01390	0.7
85.02959	4.3
87.00874	0.6
89.02441	6.0
89.02938	0.5
95.01390	0.9
96.96050	0.4
96.96972	0.4
101.02429	7.5
112.50178	0.4
112.65203	0.3
113.02450	4.8
119.03466	2.2
122.06184	0.4
137.76675	0.4
141.09258	1.6
143.03502	0.8
159.03050	1.5
161.04543	8.4
161.05869	0.5
179.05644	1.3
181.12393	0.5
191.05669	0.5
198.50900	0.4
218.56245	0.3
243.15977	8.5
285.12323	3.1
317.16034	0.5
405.21252	25.0
406.21655	1.7
465.17111	0.7
465.23660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11504	0.4
52.30895	0.4
55.01870	0.5
57.03447	0.8
58.00578	0.8
59.01374	100.0
60.01707	0.7
61.98831	1.8
65.82426	0.4
71.01377	13.9
71.52882	0.5
72.99304	0.9
73.02954	0.9
78.95900	2.5
81.32882	0.4
83.01401	0.5
85.02944	2.8
87.00878	1.4
89.02438	19.2
91.46896	0.4
95.01402	0.8
96.96005	11.0
96.96936	4.5
98.19763	0.7
99.00860	0.5
101.02433	9.4
101.06131	0.4
103.28300	0.4
107.63110	0.4
113.02445	7.9
119.03487	9.4
125.02455	0.7
131.03529	1.2
132.22861	0.4
143.03508	1.5
149.04596	0.7
149.09721	0.5
159.03001	0.4
161.04546	5.5
167.10736	0.7
179.05595	8.2
191.05672	0.5
218.39243	0.4
243.15965	3.0
309.46097	0.4
405.21274	18.7
406.21738	1.6
425.51266	0.5
449.20352	0.8
465.15488	0.9
465.23505	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01377	100.0
60.01711	0.7
61.95387	0.5
61.98824	1.5
70.90572	1.3
71.01379	11.5
72.99321	0.8
73.02950	0.9
81.03437	0.6
82.25095	0.6
83.01395	1.1
85.02971	2.3
87.00906	1.1
89.02441	18.3
91.42931	0.5
95.01383	1.0
96.96008	3.9
97.02972	0.5
99.04571	0.5
101.02431	6.8
113.02431	5.0
117.77393	0.6
119.03498	8.8
123.04512	0.6
125.02461	1.6
131.03564	1.0
143.03511	2.3
149.02452	0.8
161.04521	2.9
166.02722	0.6
166.05106	3.1
167.05508	1.4
176.04451	0.6
179.05592	6.6
184.06055	0.5
243.16093	2.1
308.01489	0.5
345.05978	3.6
375.07474	0.7
405.21228	17.9
405.26166	1.0
406.21857	1.6
465.17120	0.9
465.23560	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
58.00594	0.6
59.01378	100.0
60.01719	0.6
61.98832	0.7
63.85542	0.4
70.39748	0.7
70.40128	0.9
71.01379	7.4
85.02960	1.2
87.00884	0.7
89.02445	10.2
96.96005	1.3
101.02443	4.6
113.02438	4.1
113.59900	0.4
119.03490	5.6
143.03511	1.3
149.04633	0.6
161.04552	2.8
167.10793	1.1
178.49033	0.5
179.05603	4.4
243.16028	1.0
304.22601	0.4
306.38959	0.4
405.21368	5.4
426.61472	0.4
465.23492	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29065	0.3
55.01873	0.5
56.88779	0.3
57.03442	0.8
58.43831	0.3
59.01375	45.7
60.01706	0.6
61.98824	4.2
69.03452	0.4
71.01378	8.3
71.53878	0.5
72.99298	0.8
73.02946	1.6
75.00888	0.7
76.18246	0.3
78.95895	2.1
79.95730	2.8
81.03444	0.5
83.01390	0.9
83.05063	0.3
85.02940	4.0
87.00874	1.8
89.02438	8.3
93.03430	0.4
94.41548	0.3
95.01414	0.7
96.96004	100.0
96.97000	2.8
97.02927	0.4
99.00870	0.6
99.04528	0.4
101.02437	5.1
110.06129	0.4
111.04486	0.3
113.02444	4.0
119.03499	3.6
121.06596	0.6
122.06145	1.7
125.02421	1.0
129.01944	0.3
131.03432	0.5
134.03749	1.6
137.02406	0.6
139.07626	0.5
140.07191	0.4
141.09198	0.5
143.03496	0.8
149.04489	0.6
149.06119	0.3
149.09717	0.5
159.03032	0.4
161.04553	3.9
164.07045	0.3
167.10779	0.6
173.04504	0.6
179.05634	2.6
185.00856	0.7
189.01900	0.4
191.05542	0.6
193.05038	2.4
197.06250	0.3
205.12270	0.3
209.03011	1.3
243.15950	2.7
249.06091	0.4
259.10822	0.3
267.11389	0.9
285.03958	0.4
285.12384	3.8
317.15961	0.4
345.05905	0.4
367.10034	0.8
405.21283	10.9
406.21353	0.9
448.84781	0.3
465.15253	1.9
465.23355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03507	0.6
57.03439	2.5
59.01378	47.0
61.98820	2.8
64.51367	0.6
65.00334	0.8
69.03459	1.3
70.53529	1.2
70.53874	0.7
71.01367	5.5
78.95905	1.2
81.03461	8.6
83.01360	4.2
85.02931	1.7
89.02444	7.2
91.87856	0.6
93.03463	1.6
95.01376	2.1
95.05010	3.5
96.96014	3.3
96.96991	1.2
97.02953	7.0
99.04531	5.7
99.61921	0.5
101.02436	3.9
105.03467	0.8
107.01389	2.1
107.05014	1.1
108.02203	1.0
109.02954	5.9
110.00126	1.1
111.04517	1.6
113.02454	3.4
119.03491	3.9
119.04993	0.9
121.02945	3.3
123.00895	0.8
123.04520	11.5
124.01652	1.2
125.02442	35.0
126.02785	1.0
133.02994	1.2
135.04536	2.1
137.02434	10.6
138.03235	1.9
139.04002	3.6
143.03490	1.1
147.04509	2.8
149.02437	9.2
150.03244	3.7
151.00365	4.9
151.04005	9.3
152.01019	1.2
153.01904	3.6
155.03474	1.2
159.04520	1.2
161.02481	2.9
161.04535	1.9
161.06039	1.2
163.00424	1.5
163.04041	1.7
164.01122	0.8
165.01903	10.2
165.05536	1.2
166.02699	6.2
166.05058	1.1
167.03493	43.3
168.03870	1.1
171.04465	0.7
174.03197	1.8
175.03981	11.9
177.01933	7.9
178.99849	1.7
179.03444	2.8
179.05637	3.9
181.01390	1.0
188.04828	1.3
189.01920	1.1
189.05533	3.6
190.02713	1.7
190.99910	0.9
191.03456	4.5
193.01407	6.1
193.05014	1.9
194.02090	3.1
195.02917	3.6
197.04532	8.0
199.03951	1.5
201.01929	2.8
205.01419	0.8
207.03012	0.7
209.04472	0.9
213.05574	1.0
217.05057	5.4
219.02957	3.2
221.00912	6.0
223.02472	5.9
224.03127	1.0
229.04947	0.9
231.06702	1.1
233.08485	0.8
241.04967	1.5
251.01909	2.3
253.03471	1.2
258.05301	0.8
258.30844	0.7
259.06155	2.2
271.06198	0.9
273.07861	0.7
275.05582	1.6
283.06024	0.9
285.04034	2.9
286.04211	0.7
297.04138	1.7
299.05466	0.8
301.07126	2.6
303.05127	1.6
317.06668	10.7
327.05087	15.5
328.05392	1.1
345.06119	100.0
346.06418	5.4
347.07556	4.2
357.06116	4.1
375.07178	30.3
376.07516	2.7
387.07147	2.2
405.21265	10.3
406.20816	0.9
429.08389	1.5
447.09641	3.6
462.96793	0.7
465.10242	3.9
465.16171	1.2
465.23532	1.1
466.11337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
61.98828	100.0
64.43523	0.2
69.22713	2.0
71.01386	1.0
75.00867	0.2
85.02974	0.3
86.50275	0.2
89.02452	0.6
101.02419	0.4
149.75508	0.2
161.04610	0.3
177.04344	0.2
238.39655	0.2
272.06509	0.3
284.11313	0.3
330.15430	0.5
374.14355	1.7
377.57870	0.2
404.15552	0.3
443.96179	0.2
464.17685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54195	0.3
55.01861	0.6
56.39855	0.4
57.03437	0.3
59.01108	0.6
59.01379	8.4
69.03497	0.6
70.19048	0.6
70.19440	0.8
71.01379	5.8
71.33066	0.3
73.02934	1.9
73.38604	0.3
78.76085	0.3
83.01396	0.8
85.02959	1.6
87.00877	3.0
89.02442	5.0
95.01438	0.4
97.02934	0.4
97.06515	0.4
101.02446	5.8
111.08139	0.6
113.02447	2.9
119.03493	1.1
125.02396	0.6
131.03508	0.4
143.03529	0.6
161.04550	2.0
165.12836	8.0
183.13890	100.0
184.14238	4.9
187.04008	0.4
187.07625	0.7
209.11743	1.9
215.07149	1.0
227.12881	8.3
228.13127	0.7
235.08128	0.6
241.08743	0.8
253.09218	7.4
260.10413	0.5
301.10785	0.5
315.92596	0.4
339.16315	0.4
369.73761	0.4
388.33173	0.4
445.20737	0.9
463.16315	4.5
463.21826	75.0
464.16245	0.8
464.22137	6.7
464.97876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01876	3.3
55.49183	0.6
57.03459	4.1
58.00585	1.9
59.01380	57.8
61.98824	4.1
65.00323	1.1
67.01861	0.6
69.03449	2.4
69.16493	5.9
71.01382	63.2
72.01717	0.6
72.99310	2.4
73.02945	21.2
75.00887	2.8
77.46857	0.6
81.03458	2.5
83.01387	7.6
85.02949	22.3
87.00883	4.8
89.02444	43.6
93.03453	1.9
95.01383	4.8
96.96015	2.4
97.02951	5.7
99.00880	14.7
99.04555	1.1
101.02443	40.1
102.02802	0.8
107.01378	1.4
108.02152	1.0
109.02919	1.0
111.00871	1.3
111.04556	0.6
113.02454	23.8
115.04025	1.3
119.03522	7.4
119.05048	0.8
121.02971	1.7
123.00869	0.8
123.04524	1.1
125.02462	10.5
129.01933	1.5
131.03516	6.7
132.04689	0.8
134.03755	4.9
135.04503	2.0
136.01680	0.7
137.02417	2.0
143.03508	3.5
143.04456	0.7
149.02431	2.0
149.04553	11.3
149.06065	5.1
150.03218	1.2
151.00385	3.9
155.06151	5.8
159.02985	3.3
159.04207	0.6
161.04553	23.7
162.04817	0.7
163.00400	1.8
163.04002	1.0
163.99394	0.7
164.01021	0.7
165.01933	3.8
167.03476	0.9
173.04561	3.1
173.06023	1.1
175.04092	0.7
177.01924	1.0
178.02718	1.3
179.01711	1.3
179.03336	0.5
179.04214	0.5
179.05621	4.1
191.03854	0.8
191.05562	3.9
193.01405	6.8
201.01854	0.6
201.56976	0.6
205.01385	0.9
205.03453	1.0
217.05048	1.0
219.02863	1.0
223.02588	0.9
233.06548	3.0
241.04996	0.8
241.14442	8.8
251.07626	1.0
255.03244	0.6
257.08008	0.5
257.12805	0.8
261.07407	0.6
289.20261	2.3
293.08704	1.8
295.10068	0.7
300.02618	1.7
301.03760	0.9
301.07150	2.7
301.12155	1.1
315.18051	1.5
317.11438	1.3
331.17624	23.8
332.17856	1.1
343.08228	35.9
344.08588	2.4
345.10934	1.4
355.08136	0.8
373.09265	8.4
383.07999	1.8
385.09662	0.6
403.19540	1.3
463.12582	7.2
463.21844	100.0
464.22220	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95504	0.6
55.01881	0.8
57.03434	1.0
59.01373	8.4
69.03475	0.8
71.01044	0.8
71.01382	6.6
72.99315	1.3
73.02927	2.2
75.00870	2.4
79.70168	0.6
85.02928	4.1
85.32342	0.7
87.00870	14.4
89.02446	3.9
95.01379	1.2
97.06572	1.2
98.50727	0.6
99.00875	1.4
101.02435	4.4
101.85619	0.7
102.65712	0.6
105.94238	0.7
109.02964	0.7
111.08123	0.7
113.02428	4.9
125.02526	0.8
130.99838	2.6
135.04529	1.8
143.05066	0.8
145.03009	1.0
146.03709	0.6
147.04527	2.0
149.06113	1.2
158.03743	1.7
159.04501	2.4
161.04541	1.5
163.03941	1.4
165.12830	8.6
173.06096	2.1
175.03899	0.8
175.07628	2.0
183.13896	100.0
184.14206	4.6
185.05981	1.1
186.03212	1.8
187.03938	2.1
187.07591	3.9
188.04811	1.6
190.02715	1.4
191.03444	3.0
192.03796	1.4
195.13872	2.3
197.06029	0.7
199.07774	1.1
201.05597	1.6
202.06477	0.7
203.07140	1.7
207.03333	0.8
209.11873	1.1
212.04900	0.7
213.05635	1.0
213.09215	1.7
213.14952	9.0
215.07117	6.6
216.07890	2.7
217.08620	1.5
219.06618	1.0
223.07698	1.7
227.12869	8.5
228.13243	0.7
230.05670	0.8
231.06596	1.3
234.09042	1.2
235.08223	1.3
241.08739	4.6
242.09494	2.9
243.06546	0.9
243.10233	1.1
249.06090	1.9
253.09325	4.8
259.09769	2.2
260.10550	2.5
271.02390	0.9
271.13586	0.7
299.02014	1.5
300.02686	1.0
301.10788	2.0
303.08710	0.9
304.09387	0.8
313.14413	3.1
331.15427	1.0
339.15976	1.7
357.17285	1.1
366.09592	1.1
375.18369	0.9
401.15900	0.9
419.17010	1.9
445.14935	1.3
463.15997	23.2
463.21918	76.3
464.16223	2.5
464.22211	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03440	2.9
58.00589	1.3
59.01379	100.0
60.01702	1.4
61.98829	7.5
66.41276	0.9
69.03474	1.2
71.01382	34.7
72.99294	4.2
73.02940	9.3
75.00872	8.8
78.95932	1.0
81.03465	2.3
82.95396	0.9
83.01392	3.0
85.02945	15.2
87.00864	8.1
88.98781	1.0
89.02444	23.2
93.03455	2.2
95.01394	3.4
96.96011	4.8
96.96996	1.2
97.02949	1.8
97.06583	0.9
99.00874	4.2
99.04511	3.5
101.02445	23.0
109.02969	1.3
111.00863	1.6
113.02446	21.2
119.03497	7.9
119.04996	1.4
123.04526	1.5
123.08135	1.2
125.02454	11.8
129.01945	1.7
131.03516	2.2
136.55490	0.8
137.02429	1.3
137.09680	0.9
138.05609	1.4
139.00377	1.5
143.03493	3.6
146.06070	1.2
147.04527	1.7
149.02464	1.1
149.04555	1.5
149.06027	1.0
150.03197	1.0
151.00386	0.9
151.04030	1.4
153.09149	1.4
155.03528	1.2
159.03001	1.7
159.04449	0.9
161.04538	14.2
161.09721	1.5
165.05464	1.0
165.09180	2.3
173.04553	3.7
177.12859	1.0
179.01788	2.5
179.05627	5.0
179.10704	2.5
180.05913	0.9
187.07649	1.0
191.05615	2.3
200.51875	1.0
204.06670	0.9
205.03406	1.1
205.12312	8.4
223.13388	5.8
241.14447	4.6
243.10106	0.9
256.03726	1.1
267.07059	1.3
271.02673	0.9
271.06107	2.3
277.09076	3.6
295.10052	1.7
300.03009	1.3
301.07065	2.3
301.12830	1.8
339.09058	1.0
343.08270	1.6
343.12384	0.8
373.09805	1.1
373.13974	4.8
373.18646	2.6
383.07999	3.7
385.18579	2.1
403.19711	49.4
404.20203	4.7
445.16660	1.1
463.08157	1.1
463.12198	1.5
463.17874	5.9
463.22571	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	463.1033
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.41877	0.7
54.81397	0.7
59.01389	0.8
61.98825	2.1
69.74032	4.0
75.28493	0.7
78.95902	1.2
87.00879	8.0
93.03449	2.4
98.19928	0.8
117.03408	1.0
118.12330	0.8
119.05023	60.6
120.05353	1.3
121.02890	1.1
132.02150	3.0
133.02939	1.3
135.04504	1.9
143.05014	6.1
145.02953	2.1
147.04524	1.2
151.00302	1.1
152.99567	1.6
155.05013	5.0
159.04550	1.1
161.99570	3.5
163.00438	4.3
163.03996	34.0
164.04343	1.2
167.04994	2.3
170.78645	0.7
171.04474	3.7
173.06013	1.0
182.03625	0.9
183.04544	6.7
187.04045	1.2
187.07631	0.8
189.99100	1.0
190.99852	5.6
192.00433	0.9
195.04541	1.5
197.06033	1.9
199.03961	7.2
200.04578	1.2
211.03981	8.1
212.04515	0.8
215.07077	2.5
216.07816	0.8
222.06441	0.7
223.03999	1.1
224.04883	0.9
225.05589	2.7
227.03473	27.5
227.05746	1.3
228.04018	1.7
239.03450	9.3
240.04315	4.4
241.08678	0.9
251.03412	1.7
252.04059	1.4
253.05107	2.7
255.02963	19.0
256.03552	1.6
259.09650	0.8
260.10513	1.4
271.09778	2.4
279.02704	0.9
280.03836	6.7
281.04129	1.0
282.01749	1.3
283.02460	92.0
284.03195	40.7
285.03842	2.7
297.04016	29.0
298.04794	91.4
299.05551	50.2
299.09128	1.1
300.05988	3.4
311.05719	1.0
366.09399	1.2
376.35010	0.7
419.11273	1.4
445.14856	2.0
448.07880	1.8
463.10327	100.0
463.15933	6.6
464.10706	12.6
476.55264	0.9
481.96347	0.8
482.55579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1261
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
55.01876	1.5
56.68515	0.9
57.03435	1.3
59.01103	1.6
59.01377	17.3
61.98820	1.3
67.18967	0.9
71.01377	23.7
72.99306	1.1
73.02946	8.8
75.00878	1.2
83.01385	3.1
83.05023	1.2
85.02953	12.1
86.84251	0.9
87.00872	85.4
88.01169	0.9
89.02442	10.3
91.05544	1.2
93.03452	6.4
95.01392	1.3
96.96017	1.5
98.19955	2.9
99.00887	3.6
101.02446	16.7
103.05518	1.5
105.03444	3.0
107.05035	1.7
108.02148	1.7
113.02448	7.4
119.05003	2.8
121.02951	25.7
121.10223	4.5
122.03757	6.7
123.04501	9.8
124.01656	1.4
125.02429	2.3
130.99854	36.8
131.03505	1.6
135.04494	1.0
137.02415	2.8
143.03508	1.2
145.02837	1.5
147.04530	14.8
148.05289	2.4
149.02435	8.2
149.04483	1.5
149.06067	3.8
150.03156	1.7
151.03999	3.1
159.02948	1.2
161.02472	7.2
161.04547	10.5
163.03981	9.3
164.04765	11.2
165.05524	7.0
173.04593	1.5
175.03989	3.3
176.04771	9.6
177.01909	1.5
179.03520	11.9
179.07112	13.8
180.04073	1.3
191.03535	4.9
191.05537	1.3
191.07124	6.5
192.04243	3.1
193.01378	1.6
193.04951	1.8
194.05832	13.2
207.03008	1.6
207.06573	3.8
209.04567	8.4
209.08185	18.2
209.11801	25.7
210.12253	1.3
223.06091	1.8
224.06824	3.7
227.12862	4.0
237.04024	1.5
253.03552	1.2
253.09229	4.2
254.04311	27.1
255.02750	4.7
256.03296	3.3
257.03372	4.3
269.06778	2.1
273.11053	0.9
283.02499	4.6
283.05835	1.9
284.02884	8.5
285.03110	12.4
286.01163	1.5
286.03876	4.1
298.08215	1.2
299.05585	2.7
300.02664	2.3
300.05807	2.6
301.03256	1.4
301.06293	4.2
313.10812	1.7
315.14520	4.6
331.17670	10.5
339.15469	1.6
365.60370	1.0
383.07816	1.4
403.10440	4.9
463.12195	100.0
463.21848	35.1
464.12756	9.9
464.22308	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50585	0.6
62.10470	0.6
70.09377	2.6
70.09716	0.6
83.70105	0.5
87.00878	3.6
139.00356	0.9
145.02968	0.9
146.03714	6.4
147.00822	0.7
151.00319	1.2
152.62718	0.6
155.04919	0.6
163.00340	2.6
165.99042	0.7
166.99817	1.8
168.00587	0.6
169.06543	1.0
170.49104	0.6
175.04071	0.7
185.05952	0.7
187.33847	0.6
190.99843	18.1
197.06055	1.7
198.06813	2.6
199.07639	0.8
209.06114	0.9
213.05505	0.7
214.06258	0.6
215.07211	1.0
216.07668	0.8
223.03879	0.9
224.04648	1.4
225.05550	2.5
226.06332	1.5
227.03557	0.8
239.03473	1.0
241.05005	2.1
241.08690	0.7
242.05740	0.9
251.03433	0.9
252.04189	0.8
253.05032	4.4
254.05888	7.2
255.02989	2.4
260.10562	0.8
269.04544	3.5
280.03790	1.1
281.04523	3.9
282.01718	0.7
283.02411	8.8
284.02612	0.7
287.76141	0.7
297.00626	1.6
297.04010	32.7
298.04791	86.2
299.05093	6.6
313.07166	1.0
330.03729	2.2
404.08990	20.4
405.09238	1.8
419.11340	100.0
420.11667	8.6
463.10211	2.8
463.16074	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03431	2.3
58.00585	2.3
59.01375	100.0
59.08452	1.0
61.98832	4.4
69.03449	1.2
70.70300	2.1
71.01379	36.8
71.05009	1.0
72.01694	1.4
72.99305	2.7
73.02941	10.3
75.00867	7.4
75.01230	1.1
81.03457	1.2
83.01375	4.8
83.05034	1.1
85.02946	15.9
87.00869	6.1
89.01923	1.8
89.02442	18.2
93.03455	2.0
95.01386	3.6
96.96002	5.0
97.02942	1.6
99.00877	3.7
99.04508	2.8
101.02433	23.4
106.74820	0.8
108.18395	0.8
109.02914	2.0
113.02448	20.9
119.03496	10.6
123.04513	1.2
125.02443	13.5
125.06052	1.4
131.03479	1.9
137.02461	1.2
143.03517	2.5
149.02396	1.0
149.04517	1.0
151.07692	1.2
159.02995	1.7
161.04529	22.0
161.09682	1.1
163.04047	1.7
163.99442	1.0
165.04044	1.1
165.09238	1.7
169.08673	1.6
173.04539	3.5
177.12817	1.4
179.01599	2.3
179.05612	7.7
179.10706	1.1
191.05577	1.8
193.04982	1.3
205.12383	6.4
223.13338	4.6
241.14441	6.2
256.03790	1.5
271.06110	2.5
277.08878	4.4
301.07138	2.1
343.07971	1.9
356.47327	1.1
373.09448	1.2
373.13867	4.3
373.18472	2.0
383.07980	3.4
403.19672	66.6
404.20026	3.9
463.17392	3.0
463.22501	1.9
479.94931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04689	0.7
52.58886	0.7
54.43662	0.7
58.00592	13.4
59.01381	12.0
59.01639	0.8
61.98830	18.7
69.36227	5.0
69.36631	1.5
71.01385	5.7
73.02990	2.1
79.49166	0.7
85.02982	2.0
87.00893	2.3
87.60261	0.7
88.98811	1.1
89.02487	2.3
90.44427	0.6
93.03462	1.3
99.00913	0.9
99.67594	0.8
100.15682	0.7
101.02480	2.5
113.02484	1.8
118.06721	1.4
122.06161	2.4
124.06890	0.7
124.07658	3.4
132.04579	2.6
133.05324	1.5
137.04811	1.2
138.05612	0.7
146.06117	12.4
147.06914	0.9
148.07674	7.1
150.05646	2.3
152.78079	0.7
160.07787	0.9
161.04781	1.6
162.05542	1.1
165.04404	1.8
167.05885	7.0
168.06694	1.4
173.04581	1.2
174.05644	3.3
175.06427	2.5
176.07172	2.0
179.01715	0.8
179.05852	2.2
186.05652	0.7
188.07220	1.7
191.05667	1.9
193.03745	0.9
195.01396	0.7
195.05431	2.0
204.06622	13.6
205.07350	4.5
207.05382	3.0
216.06592	1.6
217.07425	1.0
219.05212	1.0
221.06886	0.8
223.58478	0.8
227.08255	1.7
228.14021	1.3
237.06386	5.1
241.07474	1.6
241.09917	2.1
243.11366	2.0
249.06386	2.5
255.11449	2.7
256.03714	4.3
256.11984	1.0
257.13016	1.5
269.13068	1.9
271.06107	4.4
271.14520	12.8
283.06122	0.8
283.10916	5.2
292.04089	0.9
293.08551	1.3
297.12503	2.2
299.14044	3.8
301.07144	6.2
311.14005	1.2
313.12003	1.4
325.11902	1.0
329.15079	21.9
330.15540	1.5
341.15201	1.4
343.12933	7.3
355.13068	4.0
373.14020	100.0
374.14291	8.3
383.08008	2.4
385.13971	8.4
403.15118	11.0
403.19727	1.8
404.15439	1.1
409.14120	2.4
427.15027	3.9
445.16159	2.8
463.17242	55.9
464.17551	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	463.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
57.08792	0.7
58.00593	6.2
59.01109	1.1
59.01381	15.3
61.98845	3.6
71.01365	4.2
73.02936	1.9
75.00867	7.6
78.15253	0.7
78.36174	0.6
82.32681	0.6
85.02942	2.8
87.00886	1.7
89.02451	2.9
93.03463	0.8
96.96036	1.5
99.00890	0.7
101.02450	1.6
113.02460	1.8
122.06135	1.2
123.05458	0.7
124.07668	1.1
132.04524	1.3
146.06084	5.9
148.07689	3.0
161.02499	0.7
161.04558	1.6
165.04291	0.8
165.98993	0.7
167.05788	1.7
168.06705	0.8
172.08798	1.8
173.04553	0.9
174.05605	1.7
175.06421	1.2
179.01740	1.0
179.05681	0.8
188.07281	0.6
191.05775	1.2
195.01135	1.2
198.06729	8.5
204.06596	5.3
205.07333	1.6
207.05363	1.4
209.11803	2.7
214.09807	1.3
216.06688	0.7
217.07431	1.4
228.14125	0.8
229.13585	0.7
237.06393	1.3
241.07298	63.6
242.07922	16.4
243.08817	7.9
243.11192	1.4
249.06389	1.5
256.09616	2.0
257.10477	3.2
268.09760	0.7
271.14529	5.6
283.06064	0.7
285.09897	9.6
293.08484	1.5
299.11325	1.6
299.14133	2.0
300.02640	3.5
301.03647	0.9
301.07053	0.8
311.11325	1.1
313.11945	1.0
314.04102	0.8
315.01529	0.9
328.02463	0.7
329.02823	1.5
329.15048	8.6
340.02313	1.0
343.12933	3.7
353.12756	1.6
355.12869	1.8
358.03311	1.5
359.13489	1.6
373.05850	1.9
373.14029	39.5
374.14496	3.4
376.13965	3.4
377.14664	5.8
383.08057	2.3
385.14111	3.3
401.14545	4.9
403.14951	3.6
403.19742	7.2
409.13977	1.6
419.15701	100.0
420.16025	8.2
427.15070	1.8
445.16086	1.0
463.08871	5.8
463.17291	20.3
463.23013	1.1
464.17599	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83358	0.3
55.01864	0.3
57.03456	0.4
59.01377	6.9
61.98841	0.4
63.02388	0.5
65.00323	1.4
69.81649	1.0
71.01379	4.7
72.99326	0.3
73.02948	1.5
75.14390	0.3
79.40585	0.2
81.03456	0.3
83.01384	1.2
85.02955	1.8
87.00870	0.7
89.02447	4.4
93.03458	0.9
95.01389	0.4
96.96006	0.7
99.00855	0.8
101.02448	3.2
103.14079	0.3
107.01388	2.9
108.02177	1.5
109.02953	1.5
111.00903	0.3
111.04517	0.4
113.02424	1.6
119.03501	0.8
119.05074	0.2
121.02982	1.9
123.04517	0.2
125.02443	1.1
126.99367	0.3
131.03488	1.3
134.03722	0.4
135.00887	0.8
135.04437	0.3
137.02556	0.5
141.47331	0.3
145.02980	0.4
147.04494	0.4
148.01648	1.5
149.02460	0.6
149.04559	2.4
149.06047	0.6
150.99187	0.5
151.00369	10.7
152.00627	0.3
159.03169	0.2
159.04489	0.5
161.02438	0.4
161.04539	1.3
163.00388	2.6
163.04015	0.6
164.01125	0.9
165.01907	0.6
169.01465	0.5
173.04546	1.5
174.03262	0.3
175.03963	0.3
178.98283	0.3
178.99873	5.1
179.01587	0.6
179.05525	0.4
180.00113	0.2
183.04486	0.6
187.03932	0.6
188.04713	0.3
191.05592	0.9
191.71208	0.3
192.00745	0.2
193.01384	1.1
195.13985	0.3
199.04027	0.6
201.05542	0.4
202.02466	0.3
211.04008	1.0
215.03494	0.7
216.04256	0.6
217.05048	0.3
219.02974	0.3
220.52304	0.3
226.02686	2.1
227.03477	3.4
228.04134	0.6
229.01353	0.3
229.04857	0.5
241.14442	1.2
243.02962	10.9
244.03453	0.8
245.04503	1.3
254.02222	2.4
255.02960	24.2
256.03354	1.4
269.17810	0.3
271.02457	59.8
272.02911	5.0
273.03928	1.2
283.02499	1.0
289.16641	0.4
289.20126	0.5
290.03314	0.3
299.01974	1.3
300.02725	100.0
301.03452	42.6
302.03867	2.6
315.18137	0.4
331.17786	1.4
343.04370	0.3
343.08151	3.7
373.09229	0.7
383.07840	0.3
403.19373	0.4
412.08145	0.3
463.08755	78.0
463.21701	5.9
464.09064	7.0
465.65262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.42615	0.4
57.03437	1.1
58.00576	0.4
59.01378	24.0
61.98815	0.5
63.30962	0.4
65.65698	0.3
68.01393	0.6
68.99814	0.8
69.03443	0.6
69.66105	2.2
71.01381	16.7
72.01742	0.4
72.99305	1.9
73.02947	4.6
75.00873	0.6
80.27147	0.3
83.01393	2.2
85.02946	8.1
87.00868	2.1
89.02440	7.4
93.03434	0.4
95.01392	1.4
96.95969	0.4
97.02995	0.5
99.00875	7.8
101.02438	14.6
109.02939	0.6
111.00875	1.0
113.02449	9.1
119.03472	2.1
122.02489	0.9
123.03265	6.8
123.04305	0.4
123.04475	0.4
129.01962	1.2
137.02454	1.0
138.05605	100.0
139.05968	3.4
140.07172	17.9
141.01939	2.9
141.07559	0.5
143.03481	1.0
149.04488	0.6
152.07161	0.7
154.08743	0.5
159.02992	1.6
161.04544	5.7
179.05614	1.4
180.06705	2.2
181.01437	0.5
182.08214	1.4
192.06598	0.6
210.07684	0.5
221.06694	0.6
222.07777	0.6
300.10867	26.8
301.11133	1.6
302.12421	3.1
359.58304	0.4
361.15857	0.4
372.13000	0.6
379.16891	0.4
403.19766	0.8
462.16211	25.5
463.16885	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	100.0
58.00573	1.6
59.01376	38.0
69.20152	11.3
71.01385	5.6
73.02939	1.6
80.91701	1.8
81.03465	6.1
85.02936	1.8
86.23720	1.2
87.00862	5.4
89.02429	3.3
95.01330	1.6
96.96028	1.5
98.20659	2.6
99.04517	63.3
101.02437	26.1
113.02475	1.6
117.11372	1.2
123.04493	2.9
125.02449	15.2
131.03531	1.3
137.02412	2.8
138.03180	1.4
149.06024	1.8
150.03192	2.3
151.00352	1.8
153.01903	5.2
153.05568	3.0
161.04529	1.3
165.01907	17.6
165.04146	1.2
166.02534	2.0
167.03459	13.6
168.04318	12.0
173.04510	2.7
180.04263	18.6
180.39995	1.4
181.04979	1.6
183.06618	38.7
184.06915	1.5
191.03603	1.5
191.05560	2.3
195.06607	51.1
196.07074	1.9
221.11688	1.5
243.08707	21.8
285.07651	2.8
299.05487	1.8
299.11456	1.5
317.12439	3.2
329.10373	2.0
339.14053	2.3
359.13345	5.4
399.16559	7.8
461.06558	1.5
461.16708	25.6
462.17212	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	461.1087
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
59.01390	0.5
60.23336	0.4
65.00320	3.0
65.43138	0.3
70.23490	0.3
70.84192	0.7
88.85570	0.4
132.02155	0.4
133.02977	1.1
136.98804	9.6
143.05022	0.4
155.05000	0.9
159.04500	0.6
161.99504	0.7
163.00320	0.5
171.04510	0.4
183.04460	2.1
184.05116	0.4
187.03996	0.7
190.99915	1.2
199.04008	1.9
200.04781	4.2
211.04008	2.2
212.04732	1.1
225.05580	0.5
227.03458	4.7
228.04214	1.0
232.03751	0.5
239.03456	1.8
240.04257	7.2
241.04605	0.9
255.02974	56.1
256.03336	4.8
268.03769	0.6
269.04584	1.0
280.03687	0.6
281.04434	1.1
283.02466	89.5
284.03198	48.7
285.03802	5.1
296.03055	0.5
297.03946	1.1
298.04785	9.6
299.05588	100.0
300.05936	6.5
308.03195	0.8
309.04007	0.9
321.07910	0.7
323.05536	0.9
341.06659	3.3
371.07349	0.4
446.08524	11.1
447.08536	0.9
461.10867	53.4
462.11264	4.8
473.12686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12305	0.2
56.09728	0.2
59.01377	2.6
60.42875	0.2
61.98814	0.4
65.00320	0.8
69.36323	0.5
69.36732	1.6
73.02956	0.3
80.68083	0.2
87.00861	0.5
93.03445	1.9
94.00593	0.3
95.01396	0.2
96.96021	0.3
101.02431	0.5
103.75227	0.2
106.00572	0.3
107.01361	0.3
113.02454	0.3
117.03419	0.5
119.04967	0.3
122.00093	0.4
123.04521	0.2
132.02188	1.5
133.02972	0.6
134.00081	0.8
135.00897	0.4
136.98763	0.6
137.02397	0.3
141.03426	1.3
143.05023	3.3
145.02956	0.4
147.04526	0.2
149.99603	0.3
151.00398	0.3
154.04239	0.3
155.05017	3.6
159.04489	0.4
160.98819	1.3
161.02458	0.3
161.99586	3.2
163.00310	0.8
167.05020	1.5
171.04518	2.7
173.04504	1.0
173.06053	0.5
182.03671	0.9
183.04500	5.0
183.11185	0.2
184.04979	0.3
185.02377	0.4
187.03967	0.7
189.99025	0.9
190.99887	1.6
195.04526	1.2
198.03195	0.4
199.04004	7.1
200.04544	0.7
203.83252	0.2
207.10384	0.3
209.02480	0.3
210.03148	0.8
211.03995	9.2
212.04408	0.6
213.01872	0.5
226.02724	0.4
227.03481	25.7
228.03943	1.3
237.01987	1.3
238.02582	0.3
239.03481	10.2
240.04175	1.6
254.02228	1.0
255.02965	21.8
256.03378	2.0
265.01413	0.4
270.01648	0.3
280.03775	0.4
281.17520	0.4
282.01700	2.4
283.02451	60.7
284.03174	15.5
285.03677	1.3
298.01190	1.3
298.04712	6.8
299.05579	22.5
300.05981	1.7
313.03418	1.6
385.16449	0.3
445.07919	0.5
446.08508	65.9
447.08841	5.9
461.10886	100.0
462.04666	0.5
462.11230	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15708	1.1
57.03447	100.0
58.00585	1.5
59.01377	66.7
61.98816	2.2
62.12857	1.0
66.06707	1.0
68.18410	1.0
71.01384	16.3
71.53770	1.3
72.99303	2.5
73.02942	5.2
81.03453	12.1
83.01375	3.4
85.02937	5.7
87.00870	11.9
88.14832	1.2
89.02433	15.0
93.03461	2.5
95.01368	1.4
96.96004	4.5
99.00867	2.1
99.04514	53.8
99.62284	1.0
101.02440	35.0
111.00855	2.0
111.04482	1.1
112.69769	0.9
113.02444	5.8
119.03487	1.8
122.03683	1.6
123.00900	1.0
123.03215	1.2
123.04523	16.4
125.02449	16.3
126.02682	1.4
131.03523	5.2
134.03711	2.3
137.02463	1.7
138.05603	12.4
139.03929	1.1
140.07166	2.4
141.01941	1.0
143.03397	1.7
149.02386	1.3
149.04541	7.2
149.06015	2.6
150.03163	1.7
151.00333	2.5
153.01894	3.4
153.05563	3.6
161.02405	1.4
161.04610	1.4
163.18362	1.0
165.01924	17.3
166.02681	3.5
166.99763	1.4
167.03488	45.7
168.04289	12.9
168.63148	0.9
173.04491	3.6
176.01207	1.6
177.01819	1.3
180.04280	16.9
181.05000	2.5
183.06619	44.0
184.06987	2.1
189.01971	1.1
191.03571	3.2
191.05627	4.2
192.04184	1.6
195.06607	58.7
196.06892	2.6
207.06619	3.9
243.08734	11.7
264.29959	1.1
283.02481	1.9
299.05444	2.5
300.10822	4.0
305.12216	1.1
317.12338	4.7
329.10242	3.7
339.14520	1.4
359.13412	4.4
399.16531	11.9
411.08954	1.8
443.10278	1.4
446.08600	1.4
461.11484	9.1
461.17166	35.3
462.16898	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	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44690	0.3
55.01871	0.6
57.03439	0.9
58.00594	0.4
59.01375	100.0
60.01715	1.1
61.98824	0.6
64.13952	0.2
69.03458	0.4
69.15746	2.5
69.68722	0.3
71.01379	7.1
71.05021	0.3
72.99313	0.3
73.02946	3.4
83.01388	1.1
85.02934	2.5
85.03391	0.3
87.00871	1.8
87.04510	0.8
88.93818	0.3
89.02430	2.7
93.03474	0.3
95.01399	0.5
96.01711	0.3
97.02967	0.3
98.20692	0.6
99.00885	0.9
99.04536	0.8
101.02437	5.0
101.06097	0.5
113.02438	3.4
119.03511	1.2
125.02460	0.9
131.03508	0.2
137.02406	0.4
141.13878	0.3
141.14926	0.3
143.03487	0.9
147.04539	0.5
149.06042	0.3
151.04037	0.7
159.03119	0.3
161.04555	3.3
168.54495	0.3
173.04570	0.7
179.05626	0.4
193.05104	0.4
197.05951	0.3
240.04283	0.3
255.06660	0.7
255.19679	0.8
284.03275	0.4
297.07773	1.1
381.22845	0.7
387.52512	0.3
399.23846	4.8
400.24149	0.4
416.14032	0.3
417.24954	4.0
418.25552	0.3
459.13019	0.6
459.20093	0.3
459.30298	2.1
460.30182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54867	0.4
53.86936	0.3
55.01878	0.4
57.03445	2.3
58.00583	0.4
59.01376	100.0
60.01707	1.0
60.81559	0.3
61.98832	2.3
65.00325	0.5
66.81017	0.3
67.01878	0.3
69.03450	1.0
71.01380	9.9
71.05009	0.6
71.54258	0.3
72.99297	0.8
73.02947	3.2
75.00862	2.1
77.04019	0.3
81.03472	0.5
83.01394	1.6
84.96929	0.3
85.02947	4.2
87.00877	3.4
87.04530	0.9
89.02444	4.5
93.03457	0.5
95.01392	1.2
95.05038	0.4
95.79282	0.3
97.02958	0.9
97.06583	0.7
99.00889	1.2
99.04498	2.4
101.02438	6.7
101.05493	0.4
101.06100	1.1
111.00857	0.4
113.02444	5.2
119.03510	1.7
121.02918	0.6
123.08196	0.5
125.02450	3.1
127.11331	0.4
137.02449	0.8
139.03995	0.3
143.03488	0.5
143.49304	0.4
145.02992	0.4
147.04538	0.9
149.02438	0.3
151.00330	0.3
153.09114	0.3
155.03535	0.5
157.12268	0.7
159.02954	0.5
161.04555	6.2
163.00322	0.6
165.01971	0.5
171.04543	0.5
171.09262	0.6
171.13931	0.6
173.04544	0.8
175.07587	0.3
179.05626	0.9
183.08203	0.3
191.03528	0.3
191.05621	0.4
193.01463	0.6
199.07626	0.6
211.07704	0.5
213.05676	0.6
225.05621	0.4
225.09181	0.6
227.07242	0.7
237.18575	1.0
241.08792	0.4
255.02968	0.3
255.06627	1.3
255.19656	0.7
267.06628	0.9
269.08142	1.2
281.08197	0.5
284.03275	0.6
285.12436	0.6
297.07654	13.5
297.11078	0.7
297.20776	0.7
298.08051	1.2
299.05585	0.5
309.07614	0.8
315.25076	0.6
324.02652	0.4
327.01559	1.1
327.08762	3.7
328.09372	0.4
381.09744	0.4
399.23795	4.7
415.30927	1.5
417.24854	5.7
418.25391	0.6
423.22580	0.5
427.06577	1.4
459.12918	3.9
459.29672	12.5
460.29907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52462	0.8
55.01872	1.4
59.01378	100.0
61.62658	1.1
71.01381	10.9
72.99300	1.3
73.02953	6.9
83.01401	2.8
85.02944	3.5
89.02448	8.3
96.07790	0.9
98.19888	2.9
101.02448	8.1
113.02446	5.8
119.03482	4.2
121.02929	1.0
122.62656	0.8
125.02415	1.1
148.05244	1.2
152.25095	1.0
161.02391	1.3
161.04617	2.0
173.04559	1.6
179.05603	2.1
229.38469	1.2
286.03979	1.2
390.45868	1.0
431.88290	1.1
458.62756	4.7
459.05185	1.4
459.22235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69136	0.2
52.90612	0.2
53.99136	0.2
55.01873	0.4
57.03445	0.8
59.01376	100.0
60.01697	1.2
69.03444	0.2
69.30762	0.9
69.31187	0.9
71.01376	9.9
72.99316	0.3
73.02943	4.6
75.00858	0.4
83.01389	1.7
85.02943	4.7
87.00888	1.0
87.04532	1.0
87.37434	0.3
89.02431	2.1
89.02953	0.2
93.03487	0.3
95.01408	1.0
99.00880	1.1
99.04435	0.2
101.02436	6.0
113.02441	7.5
113.24021	0.2
114.85630	0.2
119.03526	0.6
119.55371	0.2
121.02957	0.3
125.02437	0.3
131.03603	0.3
137.02374	0.2
143.03500	0.6
157.23119	0.2
159.03001	0.4
161.04535	3.1
169.34395	0.2
173.04549	0.3
179.05713	0.4
191.02051	0.4
193.12328	1.3
205.05081	0.3
209.11888	0.2
255.19495	0.3
265.14597	0.2
369.10153	0.3
399.23856	7.4
400.24466	0.8
413.47122	0.3
415.19830	0.7
417.24954	3.5
418.25519	0.5
459.23041	0.5
462.48071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94696	0.4
57.03445	1.7
59.01375	100.0
60.01704	1.1
61.98833	0.9
65.88559	0.4
70.54594	1.0
71.01375	5.3
71.05022	1.4
72.37537	0.4
72.99331	0.5
73.02943	1.7
73.74797	0.4
75.00871	0.6
83.05033	0.9
83.98103	0.5
85.02953	3.1
85.24043	0.5
87.00898	1.8
87.04503	0.9
89.02433	1.0
91.05566	0.6
93.03448	3.2
96.96008	3.9
97.06607	0.9
99.00884	0.7
101.02452	2.6
103.05524	0.6
104.95531	0.4
110.94925	0.4
111.04535	0.9
111.08170	1.6
113.02468	2.3
119.05022	0.8
121.02958	1.1
131.05113	0.5
134.18867	0.5
137.02417	0.7
139.07646	5.9
140.75932	0.4
143.03375	0.5
146.03758	0.5
147.04514	3.3
149.06071	1.3
155.03569	0.8
161.02402	0.5
161.04530	2.4
163.11359	1.1
164.04791	1.2
165.05620	0.6
173.04533	6.9
177.02054	0.5
179.07104	0.8
187.04179	0.5
191.03714	1.0
191.05647	4.9
195.10292	0.7
203.05626	0.5
207.74609	0.5
209.11826	0.5
223.13464	1.5
225.11270	3.4
265.08685	0.5
267.07184	1.9
267.12283	0.6
285.13495	10.4
285.17059	2.7
286.13885	1.0
296.72794	0.5
339.14569	1.4
353.06854	0.7
357.15439	2.7
371.11426	0.8
393.27490	0.5
399.16599	4.0
412.19940	0.5
415.10681	0.9
459.09903	0.6
459.11880	0.9
459.18512	13.8
460.18619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01735	0.9
61.98825	0.8
64.62654	0.6
69.49905	4.5
71.01373	8.5
73.02956	2.2
80.89863	0.6
83.01414	1.3
85.02934	3.4
87.00852	1.0
89.02445	3.4
93.03487	0.9
99.00921	0.8
101.02428	4.7
113.02474	2.8
119.03527	1.0
147.04468	1.1
158.93506	0.7
161.04555	1.4
189.07649	0.6
212.83498	0.7
234.22740	0.8
261.12933	0.7
282.44669	0.8
284.03314	0.9
299.05487	1.2
307.24722	0.7
373.22430	3.0
415.23547	1.5
455.85260	0.7
459.22443	2.2
459.29388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08360	1.2
57.03447	1.5
59.01377	100.0
60.15315	1.1
66.17651	1.2
69.80807	6.6
71.01378	31.2
73.02946	32.7
81.03414	1.2
83.01378	8.0
85.02945	4.8
87.00854	1.6
89.02451	9.9
93.03450	1.8
95.01386	1.3
99.00826	1.5
101.02438	28.4
113.02464	10.3
119.03492	3.0
125.02435	1.6
131.03479	3.9
143.03497	1.3
147.04622	1.4
148.05243	1.5
149.04530	3.6
161.04524	7.7
173.04466	1.6
178.12689	1.2
459.22488	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	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03449	0.5
58.00594	0.2
59.01379	100.0
60.01708	1.1
61.98826	0.3
69.03450	0.4
69.31411	1.7
71.01382	11.8
72.99319	0.4
73.02945	8.5
75.00873	0.5
79.54412	0.2
80.28860	0.2
81.03474	0.2
83.01383	2.6
85.02949	4.9
87.00875	1.6
87.04511	0.9
89.02442	3.1
93.03455	0.3
95.01408	1.0
99.00864	1.1
101.02441	8.2
111.00914	0.3
111.04547	0.2
113.02448	7.1
114.02879	0.2
119.03524	1.1
121.02957	0.4
125.02488	0.6
129.01981	0.4
131.03531	0.6
143.03517	0.8
147.04576	0.3
147.11824	0.3
149.04590	0.7
149.05882	0.2
159.03026	0.5
161.04547	4.3
179.05656	0.2
191.05417	0.2
193.12323	4.2
193.13927	0.3
197.06018	0.2
205.05228	0.2
209.06734	0.5
221.06673	0.2
227.03590	0.3
253.05070	0.2
255.19682	0.3
284.03400	0.2
373.18582	0.6
399.23911	7.7
400.24301	0.6
415.19708	2.0
417.25040	2.7
459.08862	0.4
459.18900	0.7
459.23129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72411	0.5
57.03452	1.3
59.01378	100.0
60.01704	0.5
60.99314	0.7
61.98823	1.3
62.84720	0.5
67.01891	0.8
69.03455	0.6
69.17858	2.5
69.18289	2.9
71.01378	4.0
71.05011	1.0
73.02972	1.4
83.01402	0.5
83.05025	0.8
85.02950	3.5
87.00880	2.8
89.02461	1.0
93.03451	7.5
97.02956	0.9
98.20596	1.1
101.02447	1.7
111.04499	2.5
111.08154	1.7
112.26303	0.5
113.02426	2.3
119.05009	1.6
120.37521	0.5
121.02967	1.4
123.04488	0.8
125.02489	0.8
127.03996	1.2
129.01891	0.6
133.06534	0.6
134.03693	0.8
137.02446	1.8
139.07611	3.4
139.64978	0.6
145.02965	0.7
147.04510	7.0
149.02419	1.5
149.06068	2.5
150.03169	0.7
155.03465	3.0
161.04514	2.0
161.05876	0.6
163.04021	0.7
163.11290	1.0
164.04849	2.5
165.05544	1.0
173.04553	13.7
174.03201	0.8
174.04887	1.0
175.03957	2.3
179.07127	1.9
191.03740	1.4
191.05600	18.6
192.04266	0.9
193.04973	0.9
219.02896	0.9
225.11263	0.7
229.01065	0.6
237.09174	1.1
241.05029	0.7
241.14427	7.7
249.05688	0.9
255.10170	0.6
265.08707	3.4
267.12277	0.7
285.13449	34.6
285.16779	2.6
286.13715	2.2
299.08981	0.7
309.07632	1.5
327.05197	0.7
327.08585	2.8
353.06509	1.6
357.15363	1.3
371.07480	0.8
397.05338	0.9
399.16498	3.9
415.10178	1.7
459.18558	26.1
460.18741	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	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03442	3.3
59.01378	100.0
60.01709	1.2
61.01783	0.9
61.98837	1.3
70.91749	2.0
71.01379	31.0
72.99310	2.1
73.02942	38.7
75.00880	2.0
80.00901	0.8
83.01383	10.9
83.27305	0.9
85.02937	7.9
87.00878	6.8
89.02441	9.1
93.03477	1.8
95.01403	1.2
96.95998	1.5
99.04468	0.9
101.02440	40.7
113.02436	10.9
117.01936	0.9
119.03477	3.7
125.02438	2.6
131.03500	1.8
135.11800	1.0
143.03500	3.2
143.10764	1.1
149.04517	2.8
149.06168	1.3
155.03529	1.7
161.02448	0.9
161.04535	9.0
173.04546	2.2
191.05725	1.2
193.12280	5.3
209.11806	1.5
211.13347	1.0
239.06960	1.0
249.06279	1.4
267.06592	1.0
269.04358	1.1
283.02090	1.4
283.06070	1.1
284.03165	3.5
299.05518	4.0
312.06415	1.2
329.26822	2.6
339.15729	1.2
373.18790	4.5
399.24026	6.4
415.19717	28.5
416.19888	2.1
417.24832	2.7
418.24844	1.1
459.07935	2.1
459.17624	5.6
459.30579	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03447	1.9
59.01378	17.9
61.98831	1.3
64.32935	0.7
66.48277	0.7
67.44311	0.6
68.00012	0.6
69.54098	4.1
70.45567	0.7
71.01380	8.2
73.02947	1.7
74.45813	0.6
75.00864	0.9
85.02976	3.4
86.31977	0.7
87.00894	3.0
89.02442	5.7
93.03467	4.4
94.03784	0.7
96.96020	1.0
99.00895	0.7
99.04533	2.1
101.02442	5.2
105.03473	1.3
109.02952	0.9
111.04512	1.1
113.02457	2.6
117.03487	2.2
119.03497	2.0
119.05032	2.0
121.02951	1.1
121.05062	4.5
122.29253	0.7
123.04499	0.7
132.02171	16.3
133.02887	2.4
134.03737	35.5
135.04245	1.1
137.02457	2.2
138.03204	0.9
142.95439	0.7
145.02902	0.8
147.04497	4.5
148.55804	0.8
149.02423	1.4
149.06052	6.9
153.05589	1.0
159.04497	1.0
160.01654	86.6
161.02118	2.9
161.04553	1.4
163.03912	0.7
164.04750	0.9
165.05530	3.3
173.04564	5.7
173.05910	1.2
175.03990	100.0
176.04330	4.8
178.02702	1.2
179.03468	1.1
179.05583	0.7
179.07181	1.3
187.04005	0.9
191.03641	1.2
191.05583	6.4
191.07137	1.6
192.04242	0.8
193.05042	47.9
194.05351	3.0
207.06575	1.2
217.05103	1.1
219.02994	1.2
225.05647	0.9
235.06163	5.5
239.10695	0.8
241.14348	0.8
265.09024	0.9
283.10065	1.0
285.13339	3.3
285.16757	1.2
291.06607	0.8
298.86758	0.7
327.08707	1.7
355.08264	1.9
371.11276	3.7
415.10132	2.6
449.86841	0.8
459.14920	95.2
460.15240	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82261	0.6
57.03454	2.7
59.01378	18.0
61.98826	1.6
67.65478	0.6
71.01382	8.2
71.53513	1.1
71.53896	0.8
72.99301	1.0
73.02963	2.1
73.26861	0.6
77.03984	0.6
78.80472	0.6
81.88944	0.6
82.06777	0.7
83.01381	1.1
85.02954	4.7
87.00874	2.7
89.02439	6.0
89.03990	0.9
93.03443	5.6
99.00900	0.9
99.04521	1.4
101.02438	6.5
103.11706	0.7
105.03444	0.8
111.00869	0.9
111.04521	0.9
113.02423	3.7
113.49906	0.7
117.03469	1.9
119.03471	1.4
119.05025	1.8
121.02956	1.2
121.05029	3.7
123.04487	0.9
125.02389	1.1
132.02168	15.8
133.02930	2.5
134.03735	34.4
135.04442	0.9
137.02446	1.9
138.03217	1.1
139.04025	0.8
147.04538	4.7
149.02481	0.9
149.06091	6.5
153.05554	0.9
158.42697	0.6
159.04488	0.8
160.01648	80.5
161.01997	4.2
161.04515	0.9
163.03987	0.9
164.04764	2.4
165.05545	3.9
173.04533	5.9
173.05974	1.0
174.03268	1.4
175.03987	100.0
176.04335	5.1
178.02727	1.3
179.03438	1.0
179.07123	0.9
189.05458	1.1
191.03752	1.1
191.05574	5.8
191.07138	1.4
192.04318	0.7
193.05035	42.0
194.05301	2.0
199.94807	0.6
206.46471	0.7
207.06648	1.0
209.04468	0.9
217.05037	1.4
219.02985	1.6
227.03429	1.1
235.06017	4.7
237.09247	0.7
253.04959	0.8
280.94144	0.8
283.09836	1.1
284.15836	0.8
285.13388	2.9
295.08145	1.0
309.07520	1.8
327.08609	1.6
337.09235	1.9
355.08206	1.3
371.11414	3.7
415.10333	1.6
459.14902	89.1
460.15204	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	459.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01376	48.6
60.01713	1.2
61.98828	10.9
62.47828	0.8
65.00290	0.9
68.13663	0.8
69.03434	0.7
69.17368	2.3
69.17789	6.1
71.01373	4.7
72.99285	0.8
77.67265	0.7
79.95753	1.0
85.02943	2.2
87.00874	24.1
88.51945	0.7
89.02440	4.7
93.03442	2.5
96.96027	1.0
97.02925	0.9
99.04526	4.0
101.02445	2.3
106.27090	0.8
111.00826	0.8
113.02399	2.0
119.01357	1.4
119.03482	1.6
119.86528	0.8
121.02945	30.0
122.03361	0.9
125.02431	2.2
130.99849	0.9
131.05016	2.1
133.02951	3.7
137.02507	1.1
137.09671	1.0
145.02927	1.7
146.03705	0.9
146.74307	0.8
147.00848	2.1
147.04526	1.6
148.01584	0.8
151.03957	1.3
161.02374	1.9
161.99593	1.9
164.98227	0.9
165.01938	0.9
165.99077	1.8
171.10234	1.0
171.13933	1.2
175.00343	8.5
176.01083	2.0
177.01987	1.1
177.05534	1.1
179.05652	1.3
190.02689	35.2
190.99843	3.5
191.03456	5.1
197.06010	6.6
199.03981	2.0
203.03519	2.6
205.05034	49.4
206.05373	2.4
217.05009	1.8
223.07578	1.9
223.13379	3.0
225.05533	6.6
227.03462	3.1
231.03020	1.2
237.05525	2.4
237.09253	0.9
239.07104	1.3
241.05072	2.0
251.07092	5.8
253.05026	25.8
254.05504	2.2
255.02896	2.4
256.07437	1.4
267.06635	2.8
268.07327	5.9
271.02457	1.5
271.09814	2.0
277.04977	1.8
279.06577	3.4
283.02682	1.4
283.09732	29.4
284.10101	2.2
295.06088	1.8
297.04019	1.5
299.09357	1.8
300.02682	2.3
309.11285	0.9
311.05444	1.2
312.06387	2.9
315.05045	1.4
315.25403	1.1
322.04837	1.6
323.05637	7.2
324.02808	1.1
325.03452	1.4
327.01416	12.6
327.08679	5.3
327.21771	1.4
328.01959	1.6
337.07187	2.0
338.08005	2.7
339.05124	4.3
340.05597	1.1
342.03723	3.1
352.01929	1.1
354.07568	2.8
355.08136	1.8
367.04437	2.2
369.09808	12.4
370.10126	0.8
371.07565	2.9
382.06778	1.1
397.09222	23.8
398.09610	2.6
399.07187	16.5
399.27704	5.8
400.07471	1.1
415.10217	2.3
415.30725	1.9
417.28830	1.6
427.06601	9.8
459.09280	100.0
459.29675	21.4
460.09604	10.2
460.20535	0.8
460.29971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56063	0.6
55.01863	0.9
59.01376	8.1
61.72776	0.7
69.92747	3.4
71.01379	14.9
72.33052	0.6
72.99307	1.8
73.02943	41.6
75.00865	0.8
85.02959	1.4
86.40379	0.6
87.00868	4.8
87.04482	0.6
89.02441	7.6
98.20022	1.0
99.00878	16.8
101.02435	2.9
113.02454	2.3
115.00407	0.8
117.01938	100.0
118.02262	1.1
118.05085	0.8
119.03476	2.4
129.87453	0.7
131.03542	1.1
133.05063	58.3
134.05437	1.2
147.03017	1.9
147.06659	2.6
149.04535	1.8
161.04526	1.6
179.05623	2.7
191.05615	1.3
341.10931	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	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01379	100.0
60.01717	0.8
61.98825	3.2
66.52086	0.7
67.01893	0.8
68.97253	0.8
68.99812	2.7
71.01379	6.6
71.05028	1.1
71.54093	1.3
73.02944	1.4
77.03956	0.8
77.11668	0.7
77.31249	0.8
79.05533	1.8
81.03465	1.4
81.32406	0.8
83.01370	1.4
85.02953	4.7
87.00874	3.7
87.04524	1.7
89.02438	3.0
89.06088	7.4
91.05534	7.3
93.03455	12.2
95.05038	2.7
97.06577	0.9
99.04533	1.8
101.02441	3.3
103.05534	5.1
105.03452	9.6
108.02150	2.0
111.04510	2.1
113.02443	2.4
119.05013	8.4
121.02954	18.5
122.03738	1.2
124.01607	0.8
126.75608	0.8
129.03481	1.7
133.02998	1.2
137.02464	7.6
139.04002	3.0
146.03766	1.5
147.04524	65.9
148.05333	7.6
149.02443	14.6
149.06073	20.2
150.03241	2.4
159.04451	2.1
161.02417	2.1
161.04526	1.7
163.04005	1.1
164.04796	18.1
165.05574	6.7
173.04543	9.6
179.05571	0.9
179.07137	18.1
180.07411	1.2
191.01781	1.3
191.03510	18.7
191.05600	17.2
192.04314	7.2
193.04916	3.8
207.06599	7.9
214.06284	1.8
219.02919	0.9
223.13281	0.7
225.05652	0.8
225.11389	1.9
226.06224	0.9
227.03566	1.2
237.07463	15.5
241.05066	1.8
242.05824	1.1
249.05516	2.2
250.06320	2.2
253.08867	1.0
255.10277	2.8
263.07108	2.0
264.07755	1.1
265.08694	9.1
266.08871	0.8
267.06717	1.4
281.08194	1.3
283.09714	2.2
285.13385	6.0
285.16895	2.4
291.06497	1.9
299.09421	1.4
309.04199	1.4
309.07571	7.0
327.08734	9.2
335.05319	0.9
339.14377	1.1
353.06631	4.3
357.15424	1.4
371.07660	0.9
371.11429	6.2
397.05670	3.0
399.16504	4.7
415.05853	1.3
415.10474	15.1
416.10443	1.8
417.43680	0.9
459.05667	2.5
459.18167	15.5
460.18906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
59.01377	100.0
59.98989	0.9
60.01728	1.7
60.42893	0.9
61.98829	2.5
67.01888	1.5
68.99811	2.2
69.03461	1.3
71.01385	7.8
71.53999	1.5
72.99301	1.4
73.02936	12.7
73.24494	1.0
75.00961	0.9
75.89250	1.0
79.05506	1.3
81.03453	1.8
83.01385	1.6
83.05038	3.8
85.02945	6.2
87.00874	6.7
87.04514	17.4
89.02454	4.5
89.06079	33.0
91.05543	4.2
93.03448	13.6
95.05045	1.4
98.46417	1.2
99.04554	1.9
101.02437	5.5
103.05563	2.5
105.03448	4.9
105.92989	1.1
108.02178	2.6
111.00896	1.6
111.04539	3.2
113.02444	3.3
119.03534	1.8
119.05019	4.5
121.02946	35.4
123.04533	1.3
125.02449	4.1
130.04243	4.4
131.03545	1.3
131.05009	1.7
133.02945	1.4
137.02432	6.4
137.03375	1.2
139.03949	1.4
143.04982	1.4
145.02988	1.3
146.03694	1.4
147.04514	40.4
148.01605	1.2
148.05199	4.4
149.02406	9.0
149.06068	12.5
150.03224	1.9
151.00316	1.3
155.03513	2.6
158.03741	1.6
159.04523	9.8
160.01686	1.8
161.02412	14.0
161.04488	1.7
163.03970	1.3
163.11394	1.2
164.04784	13.7
165.05508	2.8
171.04501	1.2
172.05428	1.4
173.02309	1.4
173.04536	24.5
173.06017	2.5
174.03198	3.0
174.04848	1.7
175.03909	1.6
179.05676	2.0
179.07111	12.1
183.04552	2.5
186.06830	1.3
187.04063	1.3
189.01884	5.4
191.03499	11.1
191.05606	11.8
192.04298	5.7
193.05048	3.8
196.05283	1.7
197.06046	2.9
199.03996	5.2
199.07657	1.5
200.04822	1.5
203.03534	2.5
207.06583	4.5
207.08264	1.4
209.05942	1.3
209.09668	2.1
211.04022	1.9
213.05516	4.2
213.08943	1.5
214.06322	11.2
215.03479	1.4
215.07022	3.8
218.02129	1.9
219.02965	2.6
219.08060	2.1
221.06070	2.2
221.24831	1.1
222.06854	4.1
223.07605	2.9
224.04834	1.9
225.05511	4.8
225.11215	2.6
226.06290	4.5
227.03450	2.7
228.04210	1.8
235.07590	3.7
236.08382	3.5
237.07651	58.6
237.09502	14.9
238.07835	1.8
238.09821	1.7
239.07097	5.2
239.10771	2.1
240.07970	2.0
241.05037	6.4
241.14421	2.3
242.05791	5.7
246.06827	3.1
247.07567	8.3
248.04768	1.7
249.05569	9.1
250.06326	9.4
253.04996	2.2
253.08673	4.1
254.05821	2.0
254.09384	1.8
255.06505	2.1
255.10236	19.4
263.07080	11.1
264.07910	7.0
265.05441	2.1
265.08649	48.2
266.08945	3.0
267.06616	4.3
268.03708	2.4
268.07074	1.2
281.08203	9.9
283.06583	1.7
283.09695	14.2
284.10190	2.9
285.13422	14.1
285.17041	7.6
291.06540	10.1
294.05499	1.1
297.07620	1.3
299.09100	6.6
307.06030	1.5
308.06830	1.3
309.07687	33.8
310.08011	2.7
312.27136	1.2
327.05368	2.2
327.08707	65.0
328.09180	6.7
335.05588	2.8
336.06235	1.1
339.08582	1.7
353.06570	23.0
354.07028	2.4
371.07617	12.0
371.11615	3.4
372.08047	1.2
397.05557	10.5
399.16498	3.0
415.06467	6.4
415.10413	6.1
441.04660	2.0
459.04913	6.4
459.18228	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	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01375	27.1
61.98820	1.8
62.57238	0.5
67.01886	1.3
68.99812	3.7
69.03432	0.9
71.01374	5.9
73.02938	4.1
75.00863	0.9
77.03957	1.0
79.05538	1.4
83.01392	1.2
83.05005	0.9
85.02937	4.9
87.00872	3.3
87.04505	0.8
88.98799	0.5
89.02441	5.7
91.05526	9.9
93.03452	8.4
95.05028	6.2
96.96003	1.3
97.06622	0.5
98.19856	1.1
99.00898	0.8
99.04504	0.7
101.02435	2.3
101.03922	0.8
102.04729	0.5
103.05524	5.8
105.03455	12.5
107.05022	0.6
108.02164	3.6
109.02916	0.9
111.00871	0.8
111.04494	1.4
113.02443	1.5
115.00385	0.8
119.03538	1.0
119.05018	13.5
121.02952	16.0
122.03695	1.8
123.04498	1.0
125.02469	0.9
129.01949	0.7
129.03467	3.4
131.05009	0.9
133.02953	1.7
133.06572	0.7
134.03697	0.6
135.04503	1.1
137.02429	10.4
139.03976	4.1
145.02910	2.9
146.03716	1.9
147.04504	100.0
148.01646	1.4
148.03716	0.5
148.05309	12.9
149.02435	25.9
149.06073	19.0
150.03246	4.5
150.06441	1.0
151.03957	1.0
155.03468	1.6
159.04622	0.8
160.01653	0.6
161.02371	1.3
161.04517	0.8
163.03984	2.9
164.04781	32.2
165.01901	0.8
165.04118	0.9
165.05531	9.6
173.04532	14.2
173.06017	0.8
174.03299	0.7
175.03902	1.2
179.03482	0.8
179.07109	27.1
180.07483	1.3
187.03951	0.6
190.99870	2.1
191.02029	1.0
191.03493	27.5
191.05530	3.4
192.04257	12.6
193.05011	6.9
193.15948	1.1
195.13976	0.6
205.05075	1.2
207.06625	13.1
208.07043	0.8
217.01376	2.5
218.02170	1.9
219.02951	1.1
226.48950	0.6
227.03447	1.4
233.04477	0.6
241.04961	0.6
247.07587	0.7
253.04846	0.7
253.08701	1.1
255.02910	1.1
265.08618	1.4
271.02408	0.7
284.03293	1.2
285.03836	1.0
285.13708	0.9
285.17047	8.1
286.17325	0.8
293.75482	0.6
297.07776	0.8
300.02597	0.7
309.07614	1.2
311.05801	0.9
313.03485	1.0
327.05197	1.1
327.08716	2.1
328.05869	5.4
343.08325	1.2
344.39990	0.5
354.03610	0.7
356.05161	0.6
369.05963	1.0
371.07507	2.5
371.11349	11.3
372.11664	1.2
387.06931	1.4
397.05399	1.6
397.09790	0.7
415.05750	1.2
415.10812	8.1
416.10770	1.2
417.25208	0.9
449.56448	0.6
450.61725	0.7
458.61594	0.5
459.09253	13.4
459.23090	6.9
460.09842	1.7
460.23019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03448	0.6
58.00591	0.8
59.01377	100.0
60.01406	0.2
60.01713	1.0
61.91131	0.2
61.98828	1.0
68.86115	0.2
69.03453	0.4
71.01378	16.9
71.05043	0.3
72.01710	0.3
72.99310	1.3
73.02943	9.9
75.00880	0.4
83.01387	3.1
83.01830	0.3
85.02954	4.8
87.00858	1.5
89.02438	10.4
93.03457	1.1
95.01392	1.2
96.96008	0.3
97.02936	0.3
99.00888	0.8
101.02438	11.7
111.00843	0.3
113.02444	11.0
117.03498	0.3
119.03498	4.0
119.05000	0.5
125.02463	0.8
125.09747	0.3
127.03939	0.3
131.03516	0.8
134.03731	0.4
137.02443	0.9
143.03459	1.3
144.54634	0.3
145.02953	0.6
147.04533	0.8
149.04581	0.9
149.06126	0.5
155.03499	0.3
159.03043	0.4
159.04509	0.3
160.01695	1.0
161.02475	0.5
161.04564	3.6
163.04047	0.3
173.04524	2.2
175.04028	1.0
179.05626	0.8
181.26727	0.3
187.04016	0.4
191.05692	0.2
193.05014	0.7
209.11624	0.3
211.00079	0.3
227.03600	0.5
253.18156	1.1
255.02933	1.4
283.15503	0.6
284.03342	0.9
299.02087	0.3
342.95679	0.3
397.22308	4.1
398.22702	0.4
415.23331	7.7
416.23807	0.8
457.12460	2.3
457.25687	1.5
457.62753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03446	5.8
59.01374	51.0
60.98775	0.9
61.98831	4.3
62.00048	0.9
69.03455	1.8
71.01376	8.4
71.05012	1.1
73.02929	2.4
80.39641	0.9
81.03419	1.2
83.01375	1.3
85.02936	3.6
87.00867	4.2
87.04494	1.1
89.02446	7.0
93.03458	2.3
96.96004	3.1
97.06571	2.1
99.00878	5.1
99.03912	1.7
99.04512	21.2
101.02428	6.3
111.08134	1.8
113.02442	4.0
115.00383	1.0
119.03499	2.8
119.05005	1.3
123.08160	1.7
125.02438	21.7
127.11279	7.5
130.99861	1.0
132.37975	1.0
137.02415	1.9
137.09698	8.6
139.11360	0.9
141.09247	1.1
145.03036	1.1
147.04503	1.4
151.51807	1.1
155.10753	10.7
157.12334	3.6
159.04495	1.6
161.04535	2.9
163.04025	1.4
165.05455	1.1
171.13940	1.5
173.04543	2.8
179.05620	1.2
183.13850	3.7
187.02431	1.0
191.05594	1.4
193.04994	1.1
201.05585	1.9
209.08113	2.1
251.20242	1.1
277.21713	1.2
284.03177	1.7
295.22772	2.1
313.23779	3.0
369.30093	2.2
387.04041	0.9
397.22369	1.9
413.24329	1.4
413.29187	19.9
414.29276	2.1
415.23303	1.4
433.86636	0.9
439.18234	1.1
457.28073	100.0
458.28516	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53662	0.1
61.98796	0.1
70.00578	0.5
71.52692	0.1
98.19958	0.1
99.92578	5.5
100.92664	0.3
100.93357	3.8
109.60520	0.1
113.92620	0.2
115.92074	100.0
116.92082	3.8
116.92861	6.2
117.92540	0.2
126.94920	0.1
128.52730	0.1
132.92357	0.9
142.94402	0.4
155.95216	0.1
165.49452	0.1
172.95456	5.6
173.95575	0.2
200.40479	0.1
218.44781	0.1
283.26398	0.5
383.19006	0.6
399.18442	0.3
409.20541	0.7
439.21732	0.3
444.84961	0.1
455.69730	0.1
457.22595	6.1
457.36667	0.4
458.22675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20560	0.2
57.03450	0.7
57.89782	0.3
59.01371	3.5
61.60471	0.3
61.98832	1.0
65.03960	0.3
69.03473	0.4
70.47282	0.3
70.47614	0.7
71.01377	2.3
73.02950	0.9
81.03471	0.4
83.01376	0.4
85.02933	1.4
87.00858	1.3
88.98821	0.4
89.02447	2.0
91.05579	0.3
93.03457	2.1
96.96028	0.7
97.06589	0.6
99.00877	0.4
101.02441	0.9
109.02975	0.5
111.04525	0.6
113.02454	1.1
119.05024	100.0
120.05360	3.2
123.04600	0.3
125.02456	0.8
125.06103	0.5
127.00175	0.2
133.02936	0.6
134.03754	0.4
137.02405	1.0
141.05644	0.3
145.02934	0.3
147.04510	0.6
149.06110	0.5
155.03519	0.6
161.04584	1.3
161.06078	1.8
163.04002	65.7
164.04311	2.4
173.04550	3.9
174.04886	0.6
175.05070	0.3
177.05597	0.3
187.07486	0.3
191.05605	2.8
193.05006	0.6
205.05025	7.2
205.06847	0.5
205.08658	0.6
206.05415	0.3
233.06628	0.5
237.09160	0.5
239.12839	0.7
259.06161	0.7
263.07367	0.3
281.08676	0.3
283.11823	1.4
283.15237	0.6
293.08655	0.9
309.15472	0.8
325.07123	0.6
457.13364	30.6
458.13751	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
57.03452	3.2
58.04091	0.9
59.01377	13.0
60.01762	0.8
60.99321	2.4
61.98825	3.1
69.03449	1.5
69.49339	6.7
71.01379	14.3
72.99337	0.9
73.02950	3.4
83.01389	2.3
85.02939	6.6
87.00876	4.3
87.04505	1.1
88.98808	20.8
89.02442	10.5
93.03455	6.5
95.01394	2.5
96.96014	2.8
97.02959	1.1
99.00877	2.3
101.02458	7.0
107.05006	1.4
109.02927	1.1
111.00895	3.8
113.02443	9.1
117.03477	5.8
119.05023	58.8
120.05333	1.8
121.02931	1.2
122.03728	1.1
123.04531	1.8
125.02435	2.3
125.08406	0.9
131.03485	1.5
131.07213	1.0
133.02956	6.6
133.06593	39.0
134.03757	1.8
134.06953	1.3
135.04503	2.2
137.80995	1.0
138.22699	0.8
139.04005	1.3
143.04999	1.4
145.02946	24.6
145.06567	1.7
147.04494	3.0
149.06084	4.7
155.03488	1.2
159.04520	4.7
161.02452	1.1
161.04552	14.0
161.06076	21.0
163.02751	1.7
163.04004	21.0
169.06561	1.3
171.04489	3.0
171.08134	1.1
172.05318	1.8
173.04544	6.8
173.06093	5.2
174.03201	1.0
175.03986	2.9
177.05557	3.8
177.12885	1.2
179.03407	1.1
185.06039	2.6
187.04054	2.0
187.07639	4.0
189.09189	2.5
191.05547	3.3
191.07042	1.7
193.05019	1.9
197.05960	1.8
199.07645	2.5
203.07135	8.4
205.05046	100.0
206.05418	5.4
209.02988	2.8
214.06342	2.5
215.07112	16.1
216.07539	1.1
219.06537	1.8
229.05020	1.2
233.08293	16.5
235.94191	0.8
247.05998	4.4
259.06091	9.0
277.07144	6.7
281.08267	1.7
283.08289	1.1
283.11874	1.1
283.15372	1.6
293.08575	1.7
325.07275	2.0
395.13382	8.5
396.13797	1.1
397.11523	1.1
397.17108	4.1
409.35968	1.0
439.12375	12.7
457.12891	11.1
458.14294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.09611	0.2
69.94032	0.8
78.95908	0.6
87.28023	0.3
92.89339	0.2
96.96018	0.3
117.91839	0.4
152.99576	0.5
176.35204	0.2
184.32773	0.3
316.35144	0.3
455.35272	100.0
456.35614	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	456.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82511	0.7
55.01882	1.3
58.02971	0.8
59.01376	9.3
60.99217	0.7
71.01387	12.2
71.53801	1.3
73.02940	7.3
78.30434	0.6
83.01403	2.5
85.02944	6.8
87.00892	0.9
88.04021	0.8
89.02454	4.3
99.00874	5.0
101.02444	16.2
102.95073	0.7
113.02447	6.2
121.48757	0.7
125.02449	1.1
129.01923	1.1
130.05099	2.1
130.08739	100.0
131.03490	2.3
131.09071	2.9
138.46272	0.7
138.92752	0.6
149.04523	0.7
159.03027	1.3
161.04575	5.4
176.19038	0.6
193.07162	44.0
194.07532	1.9
325.11368	94.3
326.08127	0.8
326.11667	5.6
362.66666	0.7
457.15564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
56.19809	1.1
57.03446	3.4
59.01109	1.3
59.01380	16.7
61.98818	3.3
67.45695	1.0
69.03462	1.7
71.01377	20.4
71.60668	1.2
73.02944	5.9
81.46600	1.1
83.01387	3.7
85.02957	11.3
87.00877	5.0
89.02441	12.0
93.03448	6.8
95.01385	1.6
96.96005	3.6
96.96938	2.5
97.02969	1.9
98.19781	1.9
99.00891	3.6
101.02442	15.1
102.44097	1.2
105.56952	1.2
107.05046	1.7
107.51372	1.0
111.00881	3.4
113.02443	14.5
117.03455	6.7
118.56319	1.1
119.03572	2.5
119.05022	57.3
121.02966	1.9
123.04511	2.1
125.02399	2.2
131.03522	3.2
133.02936	1.9
133.05571	2.2
133.06589	45.3
134.06909	2.6
135.02991	1.3
135.04512	1.8
139.03931	1.3
143.03459	1.3
143.05043	1.4
145.02954	28.9
145.06598	2.1
147.04486	3.5
149.04495	2.1
149.06052	4.7
159.04477	4.5
160.05264	1.2
161.04541	13.2
161.06056	18.0
163.03998	25.0
169.06523	2.3
171.04523	4.6
171.08130	2.0
172.05296	2.8
173.04625	2.9
173.06036	5.2
174.03191	2.5
175.03954	4.7
175.07584	1.7
177.05594	2.7
179.05589	1.4
185.06041	3.8
187.04002	3.2
187.07538	2.7
189.09167	3.2
191.03534	2.6
191.05536	1.5
191.07114	2.2
197.05998	3.4
199.07593	1.6
201.05508	2.2
203.03375	1.2
203.07129	5.9
205.05049	100.0
206.05388	4.6
213.05315	1.1
214.06383	2.5
215.07114	19.6
216.07477	1.4
217.05006	2.1
219.06566	1.7
229.05042	4.8
231.06529	1.5
233.08258	18.3
236.06926	1.3
241.04968	1.3
247.06033	6.8
251.09174	3.0
259.06104	23.3
263.06824	1.2
265.12857	2.8
277.07239	6.5
325.07178	2.1
395.13388	8.6
396.13699	1.9
397.17056	22.8
414.23926	1.2
421.11340	1.4
427.12268	1.4
439.12405	10.1
457.13263	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	455.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
57.40379	0.3
59.01385	3.3
59.58815	0.3
60.99303	0.4
61.98816	0.6
67.01888	3.5
69.03448	0.7
71.01381	3.7
71.53503	0.3
72.99281	0.5
73.02943	0.4
75.00873	3.4
81.03458	0.7
83.05008	1.6
85.02937	1.4
87.00876	2.4
88.85376	0.3
88.98792	0.4
89.02452	1.5
93.03455	21.8
95.01385	0.5
95.05010	1.0
97.02934	0.4
99.00868	0.6
99.04522	0.5
101.02440	1.2
101.35385	0.3
109.02969	1.2
111.00892	0.7
111.04526	4.0
113.02480	0.5
117.03467	1.0
119.05009	0.6
121.06595	0.6
123.04528	0.7
123.08160	3.0
124.05252	0.5
127.04018	0.4
128.03516	0.5
131.07097	0.4
133.02953	4.8
137.02454	3.1
137.09734	0.5
139.07680	1.0
149.04510	0.8
149.05989	0.4
151.07556	0.5
155.03482	3.3
161.02435	100.0
162.02776	4.0
163.04137	0.4
169.08711	0.3
169.10114	0.5
171.11775	3.5
173.04538	94.1
174.04901	3.2
185.09746	0.4
187.11285	0.6
189.12862	1.6
191.05621	1.6
193.01506	0.3
193.05008	0.5
201.12823	1.7
207.13873	0.9
207.30064	0.4
219.13866	0.7
219.74185	0.3
237.14934	3.8
238.15363	0.4
245.44270	0.3
281.13916	17.5
282.14499	1.0
334.64786	0.3
431.98761	0.4
455.19189	18.0
456.19507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
57.03439	4.1
59.01378	48.5
61.98824	22.5
67.01880	1.4
69.03454	3.0
69.77911	1.2
70.22928	1.3
71.01007	2.6
71.01375	37.8
71.53834	1.9
72.11949	1.5
72.99313	3.8
73.02944	22.3
75.00856	3.0
75.04469	1.8
83.01385	6.8
85.02946	23.3
87.00878	9.5
88.98805	5.6
89.02435	12.1
93.03459	9.6
95.01369	2.4
96.96040	6.9
97.02934	2.7
99.00881	9.1
99.04524	1.8
101.02434	30.6
104.94068	1.6
109.02908	2.4
111.00854	2.0
111.04533	2.1
113.02434	15.7
115.03987	3.5
119.04963	1.4
125.02428	3.8
125.09703	1.7
127.04012	2.0
129.01898	1.7
131.03467	1.9
143.03523	2.1
147.03030	1.9
147.04517	3.0
149.04597	1.6
149.06056	3.0
153.01941	2.6
155.03616	2.6
159.02966	3.4
161.02428	2.7
161.04578	10.6
163.04013	3.4
173.04549	14.6
174.04791	2.0
175.03989	3.4
187.07585	1.5
191.03722	2.0
191.05583	21.4
191.07225	2.5
192.04295	1.4
192.06039	1.4
193.04942	3.1
233.06616	1.9
235.06053	2.5
250.08348	1.4
263.14969	28.0
264.15265	1.4
281.13879	5.3
307.17630	13.9
395.19183	100.0
396.19708	6.7
451.32568	1.8
455.14319	3.1
455.19403	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	455.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57089	0.4
52.15078	0.5
57.03439	0.5
59.01377	100.0
60.01704	1.1
61.77736	0.5
61.98828	1.9
66.64622	0.4
71.01393	2.1
71.54894	0.9
72.99313	0.6
73.02938	0.5
78.95922	0.6
85.02968	1.4
87.00863	3.2
89.02435	1.3
96.95998	1.1
99.00872	0.6
101.02465	1.4
113.02483	0.8
119.03512	0.5
121.02958	0.9
122.03749	0.6
130.99890	1.4
137.02444	0.8
139.04077	0.7
147.04541	2.0
148.05232	0.5
192.04364	0.9
193.05057	0.5
201.09209	0.5
209.11873	1.2
211.13400	0.5
232.08476	1.0
254.04175	0.5
276.49719	0.5
325.11316	0.9
328.02542	0.5
440.10977	0.5
455.26505	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	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46692	0.4
59.01373	1.4
61.98827	100.0
69.26180	3.7
84.59332	0.4
85.02943	0.5
87.00887	0.6
90.19520	0.4
96.95999	0.7
120.26373	0.4
145.62321	0.4
147.04460	0.6
149.06111	0.4
165.27660	0.4
195.84621	0.4
223.22290	0.5
384.21011	0.5
444.44299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
57.03569	1.4
59.01188	10.1
59.01534	13.6
61.98637	1.8
61.98981	2.2
69.03278	0.9
69.03598	1.2
71.01122	1.9
71.01560	3.5
72.01045	0.7
73.02668	1.4
73.03117	2.1
74.28002	0.7
78.95569	3.8
78.96090	8.7
79.83071	0.6
82.62240	0.7
83.01541	1.0
85.02684	1.0
85.03127	1.6
87.01080	2.4
89.02620	1.9
93.03661	2.3
96.93834	0.7
96.97095	1.3
98.19839	1.0
101.02650	2.6
110.13293	0.7
111.04767	0.9
111.08343	0.7
113.02635	1.6
119.03655	0.9
119.05194	0.8
123.04683	1.0
130.00775	1.7
133.03174	0.9
134.03922	1.0
137.02711	0.9
137.29031	0.7
146.00302	1.7
147.01115	1.0
149.06277	0.9
152.99831	11.2
155.03668	0.8
158.00356	3.5
161.02637	1.7
161.04749	1.3
162.03409	1.4
163.00603	3.2
165.05698	0.8
165.13091	5.5
171.00877	1.8
173.04561	4.4
175.04182	1.0
177.02058	0.8
183.12431	1.7
183.13881	24.0
185.01158	1.1
189.02037	0.8
189.13013	1.4
190.02722	4.9
191.00116	2.2
191.05804	1.4
201.02066	0.9
207.10324	1.0
209.06284	2.1
217.01665	2.9
218.99327	8.5
227.03482	2.0
227.12857	8.0
228.13493	0.8
229.23851	0.8
234.01813	1.7
235.04063	1.5
236.04816	1.2
237.05841	2.4
245.04343	1.0
248.04909	1.7
249.05814	1.5
251.16737	0.8
253.05199	1.4
254.05963	1.3
263.03595	1.1
264.04251	5.3
265.04993	7.3
266.05930	1.0
269.04645	1.0
277.05176	1.2
278.05893	1.6
279.03128	0.7
279.06772	1.0
281.04578	4.4
281.14133	1.1
291.06705	0.9
292.03833	8.8
293.04498	12.4
294.05219	1.5
297.04343	0.8
298.04745	8.4
299.05695	0.9
305.05109	0.8
306.05704	0.8
307.06161	1.7
309.04022	16.0
310.04578	1.3
320.03165	6.4
321.03931	1.8
322.04871	5.4
323.05862	1.2
324.06400	6.6
330.03738	4.5
335.05576	28.2
336.06100	2.6
337.03528	27.2
337.06699	1.6
338.04022	2.1
351.10968	2.5
352.05841	17.3
353.02866	1.8
353.06573	1.4
367.08191	66.4
368.08569	5.0
381.02414	0.9
396.04846	3.1
411.07184	100.0
412.07416	10.2
413.21918	0.9
437.15451	1.0
455.16769	30.2
456.16949	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	455.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94040	0.8
59.01360	6.4
63.57762	0.9
69.03439	0.8
69.52933	5.5
71.01373	6.6
71.65048	0.8
73.02969	1.3
81.03445	2.8
83.01378	2.5
85.02939	2.4
89.02444	10.3
96.96011	1.9
99.00882	1.4
101.02449	4.1
109.41624	0.8
113.02479	1.1
119.05045	1.0
121.02949	1.2
125.02441	100.0
126.02787	2.2
127.04006	1.2
131.03473	2.4
147.04482	1.6
149.04521	3.3
161.02382	2.4
161.04573	1.0
173.04541	2.7
190.99876	1.2
191.05612	2.0
198.67316	0.9
233.06670	3.5
263.11359	0.9
293.08743	34.3
294.09222	1.8
329.06418	7.9
395.15436	7.8
419.11926	1.6
435.60260	0.9
455.04364	0.8
455.09607	16.1
455.19144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.0
58.00594	4.0
59.01377	68.2
60.99285	3.7
61.98828	55.7
67.01884	9.4
69.03437	4.9
71.01004	3.2
71.01380	41.3
71.24483	3.6
72.99335	2.2
73.02949	9.6
78.18083	1.8
81.03464	2.6
83.01414	2.1
85.02917	14.5
87.00876	22.0
89.02438	67.8
90.09925	1.9
93.03454	74.5
94.03776	2.4
97.02922	3.2
99.00876	3.4
101.02428	26.9
109.02959	2.0
111.04518	13.2
113.02451	8.3
119.03506	6.6
124.05325	4.3
130.37379	1.9
131.03496	28.9
139.07642	19.4
149.04546	60.3
150.04936	1.7
155.03523	3.9
161.04556	2.1
168.07884	3.8
173.04520	58.2
181.92383	1.6
187.11252	4.5
191.05600	30.7
205.12337	7.0
242.04094	1.8
247.46455	1.7
250.38824	1.7
251.07715	2.8
279.12326	3.6
282.99680	1.7
393.17545	42.0
393.22162	3.0
394.17706	3.9
415.16135	2.4
453.17700	100.0
454.18097	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	453.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.1
58.00613	3.6
59.01378	100.0
59.56657	2.5
61.98830	75.1
67.01881	6.8
69.29768	9.1
69.30188	10.0
71.01379	64.9
72.99299	4.3
73.02946	7.8
75.00865	3.1
81.03439	2.8
81.97101	2.4
85.02953	21.0
87.00871	23.7
89.02446	97.8
93.03458	56.8
93.04028	3.9
96.96014	6.2
99.04536	2.6
101.02440	42.7
111.04510	11.5
113.02441	11.8
119.03478	12.4
124.05243	2.9
124.07658	3.9
125.02473	4.8
129.01965	3.6
131.03493	45.2
136.07658	9.6
139.07651	12.3
149.04552	93.8
155.03546	3.9
168.07938	5.3
173.04535	61.5
174.04735	2.6
180.10410	2.4
187.11259	3.2
191.05589	39.8
195.05167	5.4
205.12317	5.9
279.12329	4.0
305.15482	2.5
393.12833	4.5
393.17661	61.0
394.17792	5.8
415.16351	4.3
453.17828	73.4
454.18109	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	454.1983
Annotation	Renieramide
Peak:m/z	Relative Intensity
51.41620	0.5
59.01381	8.5
61.98831	6.7
68.90287	0.5
69.03474	0.9
69.36337	1.7
69.36757	2.5
69.98387	0.6
71.01374	2.1
73.02920	0.9
80.23295	0.6
85.02945	1.8
87.00867	2.3
89.02461	0.7
93.03449	1.8
101.02478	0.7
109.05314	2.1
110.06101	1.8
113.02440	0.7
118.06643	2.8
121.05330	8.9
122.06145	3.4
123.06915	3.1
124.07690	0.8
125.02424	0.5
128.03506	0.8
134.06122	0.5
135.04588	0.8
137.47289	0.5
139.06383	1.4
146.06110	19.9
146.98743	0.5
147.04469	0.6
147.06523	1.1
148.03894	0.5
155.03477	0.7
161.04623	0.5
164.04698	0.6
173.04512	2.3
175.03931	0.8
182.58633	0.5
187.07690	0.6
191.05597	0.9
212.10820	2.3
213.10255	1.2
226.07420	2.3
226.12308	2.2
227.03558	0.7
227.08264	13.8
227.11754	0.8
228.08484	0.7
240.08902	1.3
241.09824	22.8
242.10539	6.9
253.09875	1.4
255.11375	13.4
256.11850	1.5
267.11316	2.1
268.12186	4.2
269.12891	7.5
270.13586	3.6
271.10898	1.3
281.13846	0.6
285.12415	1.1
286.13266	2.9
288.11151	1.2
300.11151	5.4
302.12698	4.2
314.12842	2.2
318.12158	1.7
329.11337	0.8
364.16476	0.6
380.19968	2.9
391.26865	0.6
392.19720	8.5
393.19830	0.9
410.20917	2.4
424.18942	0.9
436.18845	6.5
437.18835	1.4
454.19809	100.0
455.20050	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	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23811	0.3
57.03453	1.6
59.01379	2.8
60.99307	0.4
61.98848	1.6
67.01900	3.3
69.03446	0.8
69.36266	2.2
71.01387	2.5
74.97005	0.3
81.03456	0.6
83.05058	0.6
85.02963	0.4
87.00869	0.5
93.03458	21.9
94.03796	0.6
95.05052	0.4
95.54331	0.3
96.95988	0.6
97.02959	1.1
97.06543	0.4
98.20607	0.5
109.02957	1.3
109.06618	0.6
111.00883	0.6
111.04514	4.3
121.06603	0.4
122.03753	1.8
123.04528	0.3
124.05286	2.2
125.06109	0.6
127.04012	0.5
128.37363	0.3
137.02440	2.6
137.06102	1.3
139.07649	12.8
139.46111	0.3
140.07967	0.4
147.69724	0.3
155.03502	3.3
164.55237	0.3
168.07924	2.9
169.08673	0.5
173.04541	100.0
174.04883	3.1
187.11275	2.2
190.09950	0.4
191.05609	0.7
205.12343	4.2
206.12549	0.3
217.12222	0.5
235.13406	1.3
242.40091	0.3
249.11314	1.0
259.83224	0.3
279.12375	9.2
280.13049	0.3
280.84833	0.3
281.38431	0.3
288.89426	0.3
453.17636	12.8
454.18069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65321	0.6
55.60769	0.6
57.03454	8.3
59.01379	1.5
67.01894	1.0
69.03455	1.5
69.66333	2.0
69.66742	1.4
71.01374	1.3
71.05037	0.6
81.03461	1.2
83.05038	3.0
85.02929	1.0
93.03461	6.6
95.05025	2.0
97.02953	6.3
97.06593	1.5
98.19942	1.3
99.04505	0.9
107.05076	1.0
109.02991	4.0
109.06577	5.8
111.04517	9.4
119.08645	1.6
121.06586	3.7
121.55198	0.6
122.03735	10.9
123.04533	1.7
124.05305	14.2
125.06113	3.7
129.01898	0.9
134.31998	0.6
135.08147	1.1
136.05325	1.4
137.06093	9.9
137.09735	0.8
138.05605	0.9
139.07652	98.8
140.08000	3.2
147.08182	3.6
148.05296	1.0
149.09702	0.7
155.03505	6.6
163.07655	2.3
163.11270	1.4
168.07918	21.0
169.08727	6.1
171.08118	1.6
173.04541	37.6
174.04898	1.1
175.11272	1.9
177.12836	2.1
180.07777	0.7
187.11288	17.9
188.11723	1.2
189.09160	1.4
190.09953	4.7
205.12328	29.9
206.12680	1.8
217.12357	1.6
235.13358	5.6
245.75728	0.7
249.11250	4.7
261.11328	0.7
279.12360	100.0
280.12735	5.9
318.49652	0.7
453.17633	42.1
454.17950	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	453.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33850	0.2
53.59182	0.2
57.03450	1.7
59.01376	1.5
59.38298	0.3
60.99297	0.5
61.98824	1.4
67.01884	3.3
69.03448	0.7
70.28502	0.9
71.01373	2.7
71.32887	0.2
81.03465	0.7
83.05022	0.9
85.02945	0.4
85.53886	0.3
87.00864	0.4
93.03453	18.9
94.03754	0.3
95.01406	0.3
95.05038	0.3
96.95985	0.2
97.02940	0.8
99.04532	0.4
109.02956	1.0
109.06593	0.3
111.00900	0.6
111.04514	4.1
113.02431	0.6
119.08665	0.5
121.06591	0.5
122.03735	1.4
124.05284	2.0
127.03964	0.4
137.02426	2.5
137.06114	1.4
139.07639	12.3
140.07967	0.5
147.08145	0.5
151.07649	0.4
155.03496	2.4
163.11337	0.4
168.07883	2.4
169.08604	0.4
173.04533	100.0
174.04871	3.4
187.11269	2.2
190.09995	0.5
191.05620	0.5
192.21181	0.3
205.12308	4.2
217.12282	0.5
235.13361	1.1
249.11282	0.6
279.12347	9.4
280.12695	0.4
399.52020	0.3
453.17654	13.5
454.17618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
59.01378	5.9
60.99308	5.8
61.98829	27.1
67.01888	11.2
69.03455	3.0
70.67954	0.5
70.68301	1.2
71.01383	6.3
72.99315	0.7
73.02929	0.8
81.03445	2.1
83.05018	1.4
85.02946	4.3
87.00877	16.6
89.02452	1.4
92.18610	0.5
93.03458	81.9
93.42534	0.4
94.03799	2.2
95.01405	0.5
95.05032	0.9
97.02953	1.6
99.00881	1.7
99.04491	0.6
101.02447	1.4
109.02951	2.0
109.06613	0.6
111.00882	0.5
111.04520	12.8
112.04923	0.4
113.02467	1.4
115.04044	0.6
121.06588	0.8
122.03750	1.8
123.04498	0.9
124.05292	4.1
125.02452	0.8
129.01945	2.5
131.03461	0.6
137.02473	1.0
137.06099	1.6
139.07646	21.8
139.47023	0.5
140.08060	1.0
147.08124	1.0
149.06047	0.5
155.03503	2.8
168.07880	3.6
169.08597	0.5
171.08104	0.7
173.04543	53.1
174.04890	1.8
179.53984	0.4
187.11293	4.3
191.05611	18.5
192.06010	0.4
195.05092	0.7
205.12346	6.0
217.12344	0.6
235.13419	1.0
279.12415	2.1
393.17703	0.8
453.17657	100.0
454.17990	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	453.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
57.03442	0.8
59.01378	26.5
61.98828	4.5
67.01886	1.3
69.03454	100.0
70.03782	1.4
71.01382	12.5
71.53820	0.9
72.99294	3.1
73.02943	6.2
75.00851	1.2
77.97256	0.9
78.95908	2.0
79.01897	2.9
83.01378	1.9
85.02947	8.7
87.00880	5.5
89.02452	2.9
93.03425	1.3
95.01391	4.0
97.02351	1.5
97.02949	25.4
97.06583	1.5
99.00879	29.0
99.10094	0.8
101.02435	6.1
111.00892	1.1
113.02428	4.8
119.03530	1.1
121.02924	0.9
123.00883	1.6
129.01949	1.1
131.03487	1.0
133.02957	1.1
134.03694	1.2
135.04524	1.0
137.02478	1.1
137.83810	0.9
141.01958	9.1
143.03493	0.9
145.02931	1.5
149.04593	0.8
149.06049	1.0
153.09348	1.1
159.02959	1.4
159.04344	0.7
161.02415	1.0
161.04607	1.4
173.04543	2.8
179.01692	2.3
181.09145	0.8
184.33963	0.8
185.00911	78.0
186.01213	2.0
187.14989	1.4
191.05618	0.9
193.05067	1.8
203.01952	24.2
223.13377	1.9
231.10123	1.2
231.13876	8.2
248.14114	2.0
255.02846	1.2
275.09302	1.0
284.03229	3.1
299.05530	1.4
453.12994	8.2
454.14130	1.1
465.54932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1555
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
50.97218	0.9
55.94290	0.9
59.01371	2.5
65.00331	4.6
68.99806	1.2
70.68305	2.8
83.01351	0.9
87.00850	1.2
87.04520	3.2
95.01369	2.6
96.99332	1.5
107.19971	1.1
109.02951	1.0
110.00102	18.4
111.00887	5.6
113.02431	1.2
123.00844	2.6
124.01665	1.5
125.02405	1.1
125.99591	1.7
136.98820	6.5
137.02426	3.4
137.99577	2.8
139.00374	13.3
140.01158	11.8
141.01884	1.5
146.03708	3.1
153.01894	1.1
155.03506	24.1
159.04469	3.3
164.98254	5.9
165.99068	49.3
166.99847	11.9
168.00607	4.3
170.14456	1.0
171.04485	1.7
172.05312	6.3
173.05981	1.5
174.03180	4.1
175.03915	2.0
181.01428	34.3
182.02022	1.1
185.06059	4.0
186.06876	4.6
187.03944	1.4
192.00703	2.1
196.05200	1.2
197.06017	1.0
198.03192	2.5
199.02434	1.1
199.03984	6.2
199.99014	1.0
200.04790	30.6
201.05573	6.8
207.02959	5.4
211.03999	2.6
212.04843	1.7
213.05554	21.5
213.08882	1.0
214.06122	1.7
217.12367	1.0
218.05887	1.2
224.04703	2.0
226.02798	1.3
226.06192	1.0
227.03476	2.1
229.12317	3.9
239.03458	3.4
240.04207	3.6
241.12433	1.9
243.02986	1.4
243.13887	3.9
245.11855	7.4
255.02867	1.6
257.11908	2.6
261.04062	1.1
268.03595	1.9
269.11780	3.0
270.12619	7.2
271.02457	2.3
271.13373	44.3
272.13690	2.8
273.11478	1.0
277.04813	1.0
279.02866	1.5
280.03607	1.2
281.04230	1.2
291.06546	1.7
293.04773	1.3
294.05206	1.1
295.02600	1.9
295.06290	1.4
296.03265	2.4
297.11349	6.9
299.01978	3.5
307.02225	1.9
314.04306	2.3
321.11084	1.1
324.02722	70.7
325.03146	6.3
337.03778	1.4
338.04367	5.6
339.05087	89.1
340.05505	6.6
349.03510	1.5
351.12119	1.4
366.03384	1.2
367.04514	6.4
377.14279	1.2
381.06079	3.2
382.06839	3.1
393.13315	1.3
394.10281	8.7
395.11002	5.8
409.12674	11.1
410.13492	5.3
420.12061	2.8
421.12994	2.9
425.16077	1.5
432.27054	1.1
435.14404	1.9
438.13165	9.8
453.15530	100.0
454.15878	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03229	1.2
55.01848	1.6
55.61320	1.4
57.03437	3.5
58.00589	2.3
59.01377	55.4
60.99299	3.5
61.98829	45.4
63.52474	1.3
67.01897	9.5
69.03462	2.6
69.77428	6.9
71.01379	27.7
73.02961	5.1
78.95653	1.3
81.03430	2.1
83.05046	2.5
85.02930	8.4
87.00881	18.0
89.02444	50.3
93.03456	79.0
94.03824	2.2
98.19878	2.0
99.00867	2.2
101.02438	17.7
108.08603	1.3
109.02952	1.4
109.06610	1.8
111.04493	13.3
113.02471	7.3
116.64775	1.4
119.03508	2.8
124.05313	3.7
125.02479	1.7
131.03484	19.3
137.06085	3.0
139.07646	20.5
143.03496	1.6
149.03354	2.6
149.04552	42.7
155.03488	2.9
160.46425	1.4
161.04639	1.6
168.07965	5.5
173.04544	51.1
173.06056	2.5
174.04988	1.4
179.05620	1.9
187.11269	4.1
187.36765	1.4
191.05602	27.5
203.51776	1.3
205.12343	6.2
251.07715	1.9
279.12454	2.9
363.00766	1.6
393.17667	33.4
394.17816	1.9
406.99698	1.5
449.18277	1.6
453.17697	100.0
454.17957	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	452.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98829	100.0
68.91541	0.4
69.03461	0.7
70.91670	0.7
70.92010	0.9
71.01382	1.7
81.80383	0.4
85.02949	0.9
87.00880	1.9
89.02457	1.0
93.03444	0.4
101.02463	0.8
113.02467	1.1
123.04501	0.6
134.03743	0.5
151.76366	0.4
161.04463	0.5
165.12840	5.0
183.13892	11.7
204.02049	0.6
209.11865	0.7
227.12871	31.5
228.13274	1.3
251.13014	0.8
269.13681	0.6
299.15179	0.5
329.16092	0.6
389.18106	5.4
452.16669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
56.30571	0.1
59.01393	0.2
60.95661	0.2
61.98824	0.5
74.64184	0.1
78.95902	20.0
87.89362	0.2
96.96956	0.3
98.20657	0.5
110.62392	0.2
113.92730	0.2
122.00137	0.7
140.01181	5.3
152.99582	1.9
166.02722	0.3
196.03789	9.2
197.04199	0.2
214.04796	2.0
237.22229	0.3
255.23271	100.0
256.23602	7.1
345.28152	0.2
452.27792	31.5
453.15494	0.4
453.28110	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	452.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98829	100.0
68.91541	0.4
69.03461	0.7
70.91670	0.7
70.92010	0.9
71.01382	1.7
81.80383	0.4
85.02949	0.9
87.00880	1.9
89.02457	1.0
93.03444	0.4
101.02463	0.8
113.02467	1.1
123.04501	0.6
134.03743	0.5
151.76366	0.4
161.04463	0.5
165.12840	5.0
183.13892	11.7
204.02049	0.6
209.11865	0.7
227.12871	31.5
228.13274	1.3
251.13014	0.8
269.13681	0.6
299.15179	0.5
329.16092	0.6
389.18106	5.4
452.16669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01379	100.0
59.09921	0.3
60.01719	0.7
61.98835	3.5
71.01371	4.1
71.09035	0.6
73.02946	1.5
73.22152	0.3
74.03722	0.3
75.00909	0.3
83.01375	0.6
84.79237	0.3
85.02962	1.4
87.00893	0.4
88.98818	0.5
89.02443	1.9
93.03465	1.0
97.21276	0.4
99.00884	0.6
101.02457	2.7
113.02431	1.7
119.03515	0.8
119.05080	0.4
125.02515	0.7
143.03572	0.4
159.02924	0.4
161.04544	3.5
183.32552	0.4
259.06161	0.4
311.05692	0.3
331.17590	0.6
349.18823	1.3
371.90302	0.3
391.19577	0.6
391.23541	6.8
392.23941	0.7
407.19305	0.5
410.28845	0.4
412.83997	0.4
451.12540	0.7
451.25470	0.8
465.04593	0.4
472.48108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63148	0.5
55.01878	1.4
55.10291	0.5
57.03440	1.6
59.01375	100.0
60.01707	2.2
61.01805	1.1
61.98824	32.6
66.39934	0.5
67.69287	0.5
68.99815	0.6
69.03465	0.8
69.99996	1.1
70.00388	1.5
71.01378	17.3
72.01717	0.6
72.77573	0.4
72.99314	1.0
73.02940	6.1
73.03310	0.7
74.08987	0.4
75.00869	1.5
76.52156	0.5
83.01398	2.6
85.02943	12.1
87.00886	3.5
89.02436	3.5
92.04256	0.5
93.03468	2.1
95.01350	0.6
99.00858	3.2
101.02435	13.9
101.67990	0.5
111.00890	1.1
111.04565	0.5
113.02443	7.6
117.03452	1.1
117.40181	0.5
119.03523	1.2
119.05028	2.4
121.02964	1.9
122.06153	1.3
123.04511	1.2
125.02457	1.9
129.01947	0.6
136.07648	2.9
137.02472	0.6
137.06033	0.5
138.05586	2.5
143.03537	1.1
145.02956	2.8
146.17110	0.6
147.02939	0.9
149.04596	1.2
149.06007	0.8
153.01598	0.5
159.03008	2.4
159.04382	0.7
161.04536	14.2
161.05888	0.9
162.04915	1.0
168.06615	1.1
173.04518	0.9
175.04005	0.6
184.06116	0.8
191.02040	0.6
191.05739	1.2
227.03563	0.5
229.18024	1.4
255.02837	0.6
257.13037	1.0
271.02484	1.2
274.04895	1.0
275.08670	0.5
289.07153	0.8
289.12115	0.6
289.16602	0.7
300.02872	1.6
303.13370	0.7
303.18195	3.6
331.17523	0.5
356.60684	0.5
370.09177	0.6
391.23309	41.2
392.23611	3.8
442.11731	0.9
443.11139	1.9
451.11871	3.9
451.25964	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	451.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.5
57.84486	1.9
59.01380	14.0
63.40915	1.7
69.03456	7.8
69.26029	3.9
69.26439	11.7
71.05003	2.3
71.29411	1.8
73.79803	1.6
83.05016	4.9
85.06583	6.3
87.00877	9.8
96.96031	2.1
107.42382	1.8
109.06561	3.1
127.07611	1.7
130.99814	2.7
155.08546	3.0
175.11327	1.9
186.06859	2.3
191.14351	3.0
204.07756	1.9
205.16046	1.9
243.17528	28.3
244.17886	1.9
247.20685	5.2
249.22229	7.0
257.19077	3.7
259.20654	40.6
260.21039	2.6
275.20120	3.3
277.21695	41.1
278.22116	2.9
283.13623	2.1
285.18649	5.1
287.16412	3.3
303.19626	45.5
304.19980	2.2
321.20673	83.5
322.20901	7.0
345.20688	5.6
347.18613	13.5
363.21735	75.3
364.22089	6.9
365.19592	19.5
389.19623	5.7
403.02927	2.1
407.20706	100.0
408.21005	9.8
451.16382	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43694	2.0
57.03447	6.1
57.07552	2.3
59.01376	17.5
61.25177	2.0
69.03442	5.4
70.07517	9.4
71.04987	3.6
87.00880	29.2
93.03453	2.1
97.06584	2.1
109.06548	2.2
123.08177	3.3
130.99854	9.8
134.03719	3.0
158.07367	2.9
173.04599	5.4
175.07628	3.5
185.06004	5.0
186.06816	6.9
187.07605	4.2
190.02676	3.1
191.14391	8.9
203.07092	4.6
204.07854	7.4
205.15956	4.6
217.08524	2.3
217.16223	2.8
218.05798	2.5
229.08652	2.5
243.17459	3.5
246.01686	34.6
247.02141	2.8
247.20760	3.0
249.22252	2.8
259.20618	15.4
260.20880	3.2
261.03836	3.3
274.01187	9.9
275.20102	6.2
277.21713	10.9
287.02060	2.4
300.05545	3.3
303.19547	6.2
317.25854	2.8
321.20721	49.2
322.21106	4.2
347.18646	9.7
354.00296	3.5
363.21722	100.0
364.22192	10.7
365.19583	20.7
366.20261	2.9
380.05246	4.1
395.07629	3.6
407.20670	32.9
408.21033	6.3
423.07175	24.8
433.15125	6.0
451.06830	23.1
451.16208	35.9
452.06454	2.9
452.16702	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49190	0.3
58.00583	0.4
59.01381	20.2
60.01713	1.2
61.01815	0.6
61.98829	100.0
71.01382	3.8
71.53185	0.4
71.53632	0.4
72.99318	0.5
73.02969	0.7
75.00861	0.6
79.95735	0.3
83.01416	0.7
85.02949	2.1
87.00893	1.1
89.02442	4.1
93.03472	1.7
96.96013	0.8
97.95985	0.3
99.00873	0.4
101.02451	2.3
109.02963	0.3
111.00781	0.4
111.04591	0.3
111.05485	0.3
113.02458	1.9
119.02636	0.3
119.03515	0.9
119.05078	0.9
123.04520	0.4
125.02421	0.4
129.16344	0.3
135.04536	0.4
147.04607	0.4
149.06110	0.3
161.04614	0.4
163.11276	4.0
173.04524	1.1
173.05916	0.4
191.05573	0.8
193.01541	0.3
214.95059	0.3
249.06154	0.5
330.07291	0.6
341.05042	0.5
382.10895	0.4
387.16602	16.7
388.16861	1.5
390.22372	1.0
417.47845	0.3
450.11502	0.5
450.17545	1.1
451.12646	0.5
451.18280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01422	0.3
52.62580	0.3
52.92029	0.3
57.03444	0.4
59.01376	10.4
60.01721	1.2
61.01811	0.5
61.98829	100.0
62.88106	0.3
62.98537	0.4
69.52071	0.8
69.52501	1.1
71.01390	1.2
82.76424	0.3
85.02956	0.7
87.00874	0.5
89.02447	0.9
93.03493	0.5
98.19898	0.6
101.02462	0.4
111.52802	0.3
113.02469	0.5
125.02460	1.2
126.02809	0.6
133.28253	0.3
135.04536	1.1
136.04865	0.7
149.02455	0.5
161.04681	0.4
165.05525	0.3
166.61253	0.3
173.04553	0.3
179.05670	0.4
191.05673	0.6
193.01468	0.8
194.01747	0.7
259.06189	0.4
260.06439	0.8
270.04773	0.6
287.05573	0.5
288.06027	0.4
290.09616	0.3
329.06830	0.3
330.06976	1.9
335.51917	0.3
360.08313	0.6
390.21884	0.5
450.10968	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	451.1032
Annotation	Subalatin
Peak:m/z	Relative Intensity
52.42441	0.4
59.01382	0.8
65.00335	2.3
66.36288	0.4
68.17635	0.4
69.37372	2.1
69.37782	0.6
73.79523	0.4
93.03469	0.4
96.95970	0.5
110.00084	0.7
111.00858	1.3
121.84146	0.4
136.98804	3.2
139.00380	4.1
145.02969	0.4
155.55455	0.4
162.28929	0.4
163.00346	0.5
182.03706	1.0
190.99828	0.7
198.03217	0.6
199.04024	1.4
211.04028	0.6
213.01904	0.6
214.02635	0.5
224.04813	0.4
226.02739	0.8
227.03471	1.2
238.02736	1.0
239.03484	0.9
240.04222	0.4
248.04630	0.6
250.06285	0.6
253.05144	0.4
254.02034	0.5
255.03027	3.2
262.06351	0.8
277.05069	0.6
278.05652	0.7
282.05319	0.6
283.02444	3.1
284.03201	2.1
289.04910	0.6
290.05750	1.6
292.03632	1.3
293.04489	2.3
294.05240	1.3
305.04529	0.8
306.05264	2.4
321.03958	1.1
322.04779	0.7
333.03934	1.0
334.04706	5.2
336.02771	4.4
337.03473	1.0
349.03491	2.0
349.07275	0.6
350.04285	3.0
351.04657	0.4
352.09396	0.5
361.03360	0.8
362.04269	1.0
365.06500	1.1
375.05069	1.3
377.02521	0.9
377.07031	2.0
378.03720	14.4
379.04086	1.2
380.08896	1.6
392.09161	1.9
393.06140	11.5
394.06467	1.1
403.04630	1.1
405.02350	0.7
406.03275	3.8
421.05618	37.6
422.05743	3.2
435.07004	2.0
435.95651	0.5
436.07935	68.8
437.08279	8.1
451.10297	100.0
452.10641	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	451.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98826	1.6
65.00318	4.0
69.36653	1.7
69.37067	3.9
78.95901	1.3
92.99789	0.7
96.95998	1.1
98.20721	1.2
100.22517	0.6
102.53867	0.7
110.00107	3.9
111.00864	0.9
114.61954	0.7
120.99231	0.7
136.98788	3.7
137.02428	1.1
139.00369	3.4
140.01111	1.2
145.06577	0.8
146.03737	4.5
155.03484	4.1
155.04956	1.7
159.04515	2.3
164.96907	1.3
164.98273	15.9
165.99068	16.1
166.99847	4.2
171.04471	1.9
172.05290	9.0
173.06024	5.1
174.03214	1.2
181.01411	11.8
183.04492	1.1
199.03975	10.3
200.04776	100.0
201.05531	23.4
202.05890	1.1
225.05411	0.7
226.02901	0.7
233.41570	0.8
238.37895	0.6
239.03366	0.6
269.11771	6.4
284.03094	0.8
293.04660	0.9
295.06516	0.8
295.09775	2.1
324.02719	13.0
325.02930	0.9
338.04276	1.4
339.05017	15.3
340.05295	1.2
367.04495	6.7
381.05884	3.0
382.06900	63.8
383.07272	6.0
407.11591	0.9
436.11618	2.1
451.14148	20.1
451.19910	1.3
452.14215	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	450.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18096	0.5
59.01381	47.6
60.01715	2.3
61.98830	100.0
65.00338	0.7
67.45204	0.6
70.28750	2.1
71.01384	5.6
71.44707	0.6
71.69297	0.5
85.02953	1.4
89.02439	4.7
98.19916	0.7
101.02433	3.4
103.26846	0.6
109.31674	0.6
113.02469	2.1
119.03519	1.2
125.02485	0.8
135.04532	2.6
136.04869	0.8
144.48335	0.6
161.04556	1.2
163.11305	1.4
193.01379	1.5
194.01855	0.9
207.10263	2.8
330.07034	3.8
387.16571	44.8
388.17096	3.4
390.22241	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	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49190	0.3
58.00583	0.4
59.01381	20.2
60.01713	1.2
61.01815	0.6
61.98829	100.0
71.01382	3.8
71.53185	0.4
71.53632	0.4
72.99318	0.5
73.02969	0.7
75.00861	0.6
79.95735	0.3
83.01416	0.7
85.02949	2.1
87.00893	1.1
89.02442	4.1
93.03472	1.7
96.96013	0.8
97.95985	0.3
99.00873	0.4
101.02451	2.3
109.02963	0.3
111.00781	0.4
111.04591	0.3
111.05485	0.3
113.02458	1.9
119.02636	0.3
119.03515	0.9
119.05078	0.9
123.04520	0.4
125.02421	0.4
129.16344	0.3
135.04536	0.4
147.04607	0.4
149.06110	0.3
161.04614	0.4
163.11276	4.0
173.04524	1.1
173.05916	0.4
191.05573	0.8
193.01541	0.3
214.95059	0.3
249.06154	0.5
330.07291	0.6
341.05042	0.5
382.10895	0.4
387.16602	16.7
388.16861	1.5
390.22372	1.0
417.47845	0.3
450.11502	0.5
450.17545	1.1
451.12646	0.5
451.18280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10316	0.3
53.39584	0.2
58.00612	0.3
59.01379	100.0
60.01716	1.0
61.98837	0.6
69.26806	2.1
71.01383	5.2
73.02943	0.4
85.02974	1.2
87.00904	0.4
89.02438	7.7
89.02936	0.5
89.92284	0.3
95.01418	0.4
101.02429	3.5
101.03006	0.3
110.36176	0.3
113.02441	2.5
116.47140	0.3
119.03509	3.6
125.02445	0.3
131.03532	0.4
132.21101	0.3
143.03542	0.7
149.04558	0.4
161.04523	2.2
179.05615	1.7
196.61903	0.3
233.43118	0.3
329.06940	0.5
389.21811	6.7
390.22070	0.4
390.86688	0.3
449.24158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	0.9
61.98828	41.7
63.99240	0.3
65.00324	0.6
70.67543	0.6
71.01379	6.2
72.99307	0.3
73.02943	1.3
81.03468	0.3
83.01402	0.9
85.02940	2.2
87.00877	0.6
89.02438	3.6
89.94531	0.3
93.03445	0.6
95.01380	0.9
97.02933	0.6
99.00849	0.7
101.02441	3.7
107.01396	0.6
113.02454	2.5
119.03481	1.5
121.02925	0.6
125.02435	1.8
135.04526	7.8
137.02458	0.5
149.02451	0.7
149.06108	0.3
151.00294	1.5
159.02948	0.4
161.04564	3.7
163.00363	0.5
165.01878	0.8
167.03485	0.4
179.05589	0.7
190.43138	0.3
193.01398	6.0
218.39893	0.3
218.53932	0.4
223.02414	1.6
275.09052	0.8
287.05405	0.4
287.60504	0.3
329.06610	8.3
330.06778	0.8
359.07617	2.0
387.16580	8.7
389.21829	6.1
390.22006	0.4
443.97394	0.3
449.10608	0.8
449.23560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03447	1.3
58.00539	0.4
59.01376	100.0
60.01713	0.9
61.98824	3.6
65.63761	0.3
71.01373	5.9
72.99280	0.3
73.02950	2.4
75.00887	1.0
83.01377	0.8
84.02168	0.5
84.62943	0.4
85.02947	7.4
87.00870	2.0
89.02435	2.2
93.03468	1.4
93.78279	0.3
95.01364	0.6
96.96024	0.7
98.19888	0.9
99.00903	1.0
101.02429	3.6
105.03540	0.4
107.35744	0.3
108.45724	0.4
109.02911	0.4
111.04529	0.5
113.02444	2.6
117.03454	0.7
119.03527	0.8
119.05018	0.7
121.02888	0.4
123.04465	0.3
125.02435	0.8
129.01932	0.5
133.02951	1.2
134.03758	1.5
135.04512	0.7
137.02457	0.8
145.02957	0.9
147.02959	0.6
147.04588	0.5
148.05263	0.4
149.06070	0.3
155.03502	0.5
155.10793	0.6
159.03130	0.6
159.04469	0.5
161.02495	0.7
161.04550	3.7
163.04039	0.4
172.05254	0.5
173.04564	3.4
173.05969	0.6
175.04048	0.6
177.01949	0.4
185.11842	0.5
187.03955	0.5
187.07597	2.5
191.01974	2.3
191.03787	0.5
191.05586	7.0
193.01485	0.4
193.05139	0.4
198.59814	0.3
200.04745	0.4
202.06412	1.1
203.10770	0.5
213.09102	0.9
215.07074	0.9
216.04251	0.5
227.03441	0.8
227.16537	0.6
229.08640	0.5
230.09563	0.3
231.10243	3.3
234.86310	0.4
243.03088	0.7
255.02994	1.0
257.03528	0.7
257.08282	1.5
271.02490	2.0
272.03293	0.5
275.09235	6.2
275.11975	0.5
276.09729	0.4
283.02435	0.4
284.03192	0.5
285.03714	0.7
286.03943	0.8
287.05334	0.4
301.16592	0.6
317.19720	0.6
371.77481	0.4
389.16916	0.5
389.21774	8.0
390.22198	0.7
449.09671	3.2
449.15585	0.9
449.28189	0.9
450.11548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80792	0.3
57.03428	0.4
58.00586	0.3
59.01379	100.0
60.01725	0.8
61.98832	1.6
62.43247	0.2
71.01384	6.3
72.87206	0.3
72.99318	0.5
73.02940	0.6
75.00896	0.3
83.01391	0.3
85.02950	2.2
87.00883	0.5
89.02447	6.9
89.69399	0.3
95.01403	0.5
96.96033	0.6
99.00939	0.4
101.02443	4.1
107.03533	0.2
113.02441	3.6
113.03175	0.3
119.03497	3.7
131.03586	0.7
135.04561	0.7
143.03516	0.9
149.04521	0.2
159.03017	0.2
161.00963	0.2
161.04570	2.4
179.05592	1.9
191.05724	0.2
193.01459	0.4
249.06273	0.4
257.04718	0.4
267.07294	0.7
329.06689	1.2
359.07797	0.3
389.21817	5.7
389.26529	0.4
390.22446	0.7
431.15802	0.3
449.11127	0.6
449.15857	1.1
449.24026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03456	0.5
59.01379	100.0
60.01714	1.2
61.98830	2.0
65.00330	0.9
65.00838	0.3
67.00924	0.3
67.01917	0.4
69.03469	0.5
71.01374	3.9
73.02951	1.4
73.73779	0.3
75.00892	0.4
83.01379	0.7
83.05041	0.3
85.02954	4.4
87.00884	1.9
89.02461	1.3
93.03474	2.3
95.01407	0.3
96.96013	5.0
96.96615	0.4
97.06586	0.5
98.01385	0.3
99.00910	0.8
101.02453	2.1
105.03465	0.9
107.01392	1.6
109.02974	1.3
111.00934	0.4
111.04546	0.9
113.02437	1.8
117.03469	2.0
117.07088	0.4
119.03580	0.5
119.05050	1.3
121.02958	1.0
123.04517	0.8
125.02464	0.5
129.01939	0.7
133.02966	3.4
134.03737	4.2
134.04605	0.4
135.04523	7.5
137.02440	2.2
139.00441	0.4
139.04109	0.3
145.02963	4.3
145.06641	0.3
146.03706	0.5
147.04526	0.8
149.02472	1.2
149.06091	1.0
151.00372	7.9
153.01897	0.4
155.03523	0.8
159.04485	0.7
160.01590	0.4
161.02455	0.8
161.04536	1.7
162.03281	0.9
163.04068	1.2
163.26044	0.4
164.04843	0.8
165.01941	5.2
172.05206	0.5
173.04573	4.8
173.05974	0.4
175.04062	0.5
177.01941	2.6
178.02708	2.6
179.03487	1.0
179.07146	0.4
180.04312	3.6
187.07613	1.6
188.04845	1.1
189.05598	1.4
191.02058	0.4
191.05617	10.7
192.05946	0.4
193.01469	1.1
193.04947	0.6
195.06622	4.1
201.01852	0.4
202.06412	0.6
208.03760	1.7
210.05397	0.5
213.09210	0.6
223.06111	5.2
225.07684	2.5
227.03526	0.5
228.04184	0.4
231.10239	4.6
232.07460	0.8
255.03070	1.1
257.08234	2.0
271.02567	1.3
271.13348	0.6
275.09247	11.3
276.09625	1.0
284.03354	0.9
287.05634	6.5
288.06253	0.3
289.14377	0.5
300.02832	1.7
313.14618	0.4
317.19870	1.1
329.10446	0.4
331.15756	0.7
343.11932	0.4
343.18307	0.4
357.17145	1.4
359.11252	0.5
375.18228	0.7
387.17175	0.4
389.21805	7.2
389.26611	0.5
390.22052	0.6
433.20789	0.6
449.11023	1.6
449.15491	1.0
449.22571	3.5
450.11508	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	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85617	0.6
55.01875	7.0
59.01377	14.7
61.98814	1.3
65.46615	0.6
70.84349	1.6
71.01377	3.9
71.55500	0.6
72.99299	0.7
73.02977	0.9
75.00869	21.1
83.01392	0.7
83.91347	0.6
85.02947	4.5
87.00889	1.6
89.02441	2.6
91.04037	0.8
93.03453	4.8
96.21135	0.8
96.95987	2.3
101.02439	1.9
105.03442	2.3
109.02880	0.8
111.04483	1.5
117.01991	1.3
121.02953	1.1
129.01942	5.9
133.02963	8.6
134.03752	11.4
135.04518	2.6
137.02438	3.0
139.04019	0.9
147.02959	5.0
150.03247	0.8
155.03476	2.1
161.02443	0.9
162.03212	2.1
163.03917	0.7
165.04037	48.6
165.12840	4.8
166.04298	1.1
173.04530	10.1
177.01945	7.3
178.02687	5.6
183.13889	100.0
184.14232	4.2
185.11806	0.8
191.05658	2.0
200.88380	0.6
203.10751	2.1
209.11769	3.3
227.12910	4.1
231.10239	7.7
275.09232	24.6
276.09576	1.9
287.09155	1.5
301.16550	37.9
302.16916	2.5
351.11038	0.8
354.52097	0.7
449.14713	2.7
449.20419	20.1
449.26898	1.2
450.20609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1501
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.02961	0.4
54.03079	0.3
59.01384	2.2
59.03364	0.4
61.98833	4.0
62.96409	23.4
69.20367	3.5
78.84373	0.3
78.95902	55.8
79.40916	0.3
79.89296	0.4
80.97466	31.2
87.00885	3.0
96.96014	0.9
100.18470	0.4
130.99852	0.9
133.25285	0.4
136.89600	0.4
149.00098	14.1
173.04507	0.5
179.01173	1.4
181.02669	0.5
201.09108	0.6
205.15976	6.8
206.16275	0.4
242.98238	5.0
285.12643	1.5
286.98965	0.4
287.09357	0.6
355.16772	16.4
356.17084	1.3
385.17853	21.7
386.18274	1.8
449.14896	100.0
450.15274	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	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18299	0.6
57.03434	1.8
59.01375	37.9
60.01713	1.2
61.98824	13.7
67.01864	1.1
68.06774	0.7
69.03442	2.0
69.50203	5.7
71.01373	6.5
73.02943	2.6
77.60515	0.7
81.03429	1.6
83.01394	1.6
83.05015	1.6
85.02944	14.8
87.00873	12.4
89.02433	2.6
93.03443	8.4
99.00859	0.9
101.02445	3.0
109.02933	1.0
111.04511	4.3
113.02444	2.7
119.03491	1.1
125.02437	0.8
127.03967	3.1
134.03746	1.0
135.04517	1.2
137.02414	2.2
146.03754	1.6
147.82388	0.8
149.06061	2.8
151.00328	0.9
155.03493	3.0
158.03737	0.9
159.04449	5.3
161.04510	2.9
161.05981	0.7
171.03035	0.8
172.05270	8.2
173.04512	12.8
173.06044	9.4
174.06577	1.1
175.03949	1.0
175.07574	1.7
182.03757	1.1
183.04494	2.3
184.05289	1.5
185.09729	1.0
185.11807	1.0
187.04071	7.3
187.07632	64.7
188.07999	4.7
191.05594	100.0
192.05919	3.3
197.05957	1.2
198.06848	1.0
199.04016	2.1
200.04733	3.8
201.05530	10.6
201.09137	1.4
202.04547	1.5
202.06335	22.4
203.06767	1.5
203.10780	3.0
204.04198	1.5
211.07605	1.7
213.09196	16.4
214.09619	0.9
215.07106	20.7
216.07700	2.8
227.03377	1.8
228.04202	1.3
229.08669	10.5
230.09363	1.0
231.06747	8.0
231.10233	39.5
232.03693	1.2
232.10536	2.1
257.08167	15.7
275.09229	68.6
276.09573	4.1
287.04901	1.2
352.26361	0.9
389.21793	6.5
405.11810	1.8
405.16791	1.2
419.94351	0.9
426.48758	0.7
428.38477	1.0
449.14624	15.9
449.19104	0.8
450.14899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02973	0.9
54.39305	0.8
59.01367	4.5
61.98822	3.1
71.01350	0.9
71.54376	1.1
78.95900	2.1
83.94757	0.9
85.02937	0.9
86.61434	0.8
87.00879	1.2
93.03458	0.9
96.96055	1.2
115.94221	0.9
152.99567	3.3
154.02425	0.8
182.79361	1.0
190.99818	1.1
199.84331	0.9
252.04266	3.0
253.04845	1.8
260.47784	0.9
265.04974	1.4
268.03848	1.4
268.10840	1.2
295.09894	1.7
296.03467	1.4
296.10471	2.4
297.03918	4.4
308.10510	4.9
309.04065	5.2
309.07275	1.1
323.09329	2.5
351.08682	3.8
352.09479	87.6
353.09808	7.0
367.11835	100.0
368.12161	8.5
387.01239	0.9
405.33728	1.8
449.16837	1.7
449.27243	1.3
449.32846	12.0
450.33234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00131	0.7
57.03430	1.8
59.01374	51.5
60.01704	0.9
61.98833	6.1
67.01875	0.8
69.03453	1.9
69.48479	3.9
69.61692	0.7
70.97527	0.6
71.01375	8.4
72.99286	0.8
73.02937	2.5
76.16353	0.6
81.03446	1.1
83.01370	1.2
83.05000	1.0
85.02942	13.7
87.00871	23.9
89.02442	5.2
93.03445	7.1
95.01432	0.8
96.95996	4.8
99.00858	1.0
99.04456	0.6
101.02428	5.9
109.02946	1.8
111.04528	4.1
113.02437	4.3
116.59055	0.6
119.03512	2.2
119.05029	1.5
122.03693	1.2
123.04516	10.0
126.30785	0.6
127.04017	2.7
129.01898	1.2
130.99866	7.6
134.03735	3.5
135.04524	2.4
137.02425	1.6
145.02937	0.8
146.03734	1.3
149.06065	6.6
150.03227	0.8
151.03986	0.7
155.03482	3.8
158.03731	1.9
159.04471	5.9
161.02412	1.0
161.04549	5.0
161.05965	1.0
163.03934	1.2
165.05582	1.7
172.05272	6.2
173.04523	13.8
173.06049	8.4
174.04927	0.7
174.06805	1.7
175.03957	1.0
175.07576	1.0
177.05518	1.0
179.03842	0.5
179.05557	2.0
183.04518	1.1
184.05269	1.4
187.04060	5.3
187.07628	54.4
188.07957	2.9
191.05591	100.0
192.05957	3.5
193.05063	3.5
194.02177	1.0
195.02893	1.2
199.03960	1.5
200.04814	4.0
201.05550	10.2
201.09203	1.2
202.06326	21.5
203.06660	0.8
203.10799	3.1
204.04150	1.3
211.07715	1.2
213.09189	14.8
215.07089	16.8
216.07861	3.2
219.03035	0.9
227.03595	1.5
227.16510	0.7
228.04207	1.2
229.08669	9.1
230.09273	1.0
231.06714	8.4
231.10226	34.2
232.10614	2.4
237.03917	0.7
254.04224	3.9
255.04980	3.5
257.08154	15.7
258.08441	1.3
269.97592	0.7
273.11121	0.8
275.09222	63.7
276.09534	5.3
351.10910	1.1
389.08517	0.7
389.17422	1.1
389.21780	12.0
405.11716	1.5
431.09995	2.9
449.10550	9.0
449.14825	7.9
449.23715	1.3
450.15353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03427	0.8
59.01378	24.1
61.98815	2.9
63.02383	0.9
64.12873	0.5
65.00318	8.0
67.01877	0.6
69.24446	5.6
69.55033	0.8
71.01376	3.2
73.02937	1.1
83.01389	4.8
83.04992	0.5
85.02949	6.1
87.00881	2.1
89.02439	1.0
93.03456	4.0
96.96010	1.8
99.00876	0.7
101.02450	1.4
105.03445	1.0
107.01386	17.0
109.02934	2.3
111.04546	1.2
112.09161	0.5
113.02415	1.0
117.03436	1.5
121.02928	1.8
125.02422	4.4
127.04068	0.7
133.02948	4.1
134.03735	6.2
135.04517	62.4
136.04857	1.9
137.02409	3.8
138.86108	0.5
145.02962	1.8
149.02422	4.6
149.06197	0.7
151.00357	100.0
152.00763	2.3
155.03445	1.3
159.04585	0.8
161.02423	3.1
161.04530	1.2
161.48743	0.6
162.03233	0.7
163.03993	0.8
164.04790	2.2
165.01901	14.2
166.02345	1.1
169.01353	0.8
172.05322	2.3
173.04533	7.4
173.05914	1.1
174.03282	0.7
177.01910	3.4
178.02791	2.7
179.03441	2.9
179.07108	1.3
180.04274	8.2
187.03990	0.9
187.07637	2.4
191.01874	0.8
191.05603	14.7
193.01422	2.0
193.05031	0.9
195.06618	10.4
203.10799	1.2
208.03783	4.4
210.05318	1.6
213.09193	10.5
215.07063	1.2
223.06093	11.5
225.05710	0.7
225.07671	8.2
226.08005	0.7
227.03563	1.0
231.10239	11.6
251.25726	0.5
255.02997	1.7
257.08185	10.4
258.08487	1.1
275.09213	14.2
275.12030	1.1
276.09546	0.7
284.03299	1.6
285.04108	2.4
286.04520	3.4
287.05597	81.7
288.05939	5.7
368.66409	0.7
389.21725	2.0
401.12384	1.3
404.75406	0.6
428.51596	0.6
449.10593	16.6
449.28036	1.0
450.11444	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24422	0.7
57.03416	1.5
59.01376	25.8
61.98795	2.7
65.00294	1.5
68.99793	0.7
69.03432	1.6
69.23843	6.9
69.74925	0.7
71.01373	4.9
73.02914	1.5
75.00822	0.8
81.03451	9.4
83.01376	4.7
85.02905	2.0
87.00835	2.3
89.02402	2.9
91.65223	0.8
93.03455	5.5
95.01345	1.7
95.05025	6.1
96.95941	2.5
97.02956	7.1
99.04516	4.1
101.02409	3.2
105.03407	1.4
107.01336	2.0
107.05012	1.0
108.02148	1.5
109.02888	3.1
111.00858	1.4
111.04469	1.2
113.02390	3.1
121.02980	3.8
123.00825	1.4
123.03766	0.8
123.04521	9.8
125.02437	30.4
131.04950	1.5
133.02956	6.0
135.04521	3.6
136.01628	1.3
137.02452	9.7
138.03186	1.9
138.43364	0.7
139.03955	2.6
147.04466	1.2
149.02417	3.8
149.04507	0.7
149.06018	1.0
150.03210	0.8
151.00369	3.6
151.03952	1.7
152.01099	2.0
153.01886	3.1
153.05544	1.3
155.03455	2.0
159.04480	1.4
161.02464	1.2
161.04517	1.5
163.00310	2.5
163.04012	1.0
164.01198	0.8
165.01929	10.1
166.02710	10.6
167.03477	41.2
168.03703	1.5
172.05125	0.8
173.05992	2.4
175.03911	3.0
176.01131	1.6
177.01917	3.0
177.05528	4.9
178.02565	0.7
178.99820	1.8
179.03450	2.5
190.02605	1.0
191.03351	1.3
191.05585	0.8
192.00511	1.1
193.01399	5.1
194.02144	4.7
197.04543	7.5
199.07631	1.3
201.05519	4.9
203.03525	3.4
205.01375	1.0
213.09077	0.9
215.07120	4.6
217.04988	1.2
219.06578	1.0
221.00833	1.8
222.01768	1.0
223.02541	1.5
224.03085	0.9
227.07278	1.1
229.08662	2.1
239.07007	1.0
241.05104	0.9
243.06541	4.0
255.06525	1.6
257.08096	2.2
259.06046	11.3
267.06674	1.6
268.03781	0.9
271.06000	2.1
273.07605	1.2
283.06021	2.1
285.07660	4.9
287.05676	3.6
299.05521	1.6
301.07144	31.8
302.07523	2.0
311.05603	4.2
313.07108	1.9
315.08664	1.3
329.06628	100.0
330.06894	6.7
331.08188	10.7
341.06516	1.4
359.07675	34.8
360.08051	2.0
370.44766	0.8
371.07587	1.1
389.21899	2.0
431.09732	5.5
449.10864	39.6
449.16382	2.6
450.11163	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	448.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84490	0.9
59.01371	3.7
60.68126	0.8
61.98829	100.0
65.82122	0.8
71.01405	0.9
71.54131	0.9
73.02954	0.9
78.19240	0.9
78.95910	8.0
81.25149	0.9
87.00867	7.7
88.01186	1.2
96.95978	1.5
96.96967	1.8
103.37305	0.9
118.35801	0.8
130.99838	2.7
148.47604	1.0
152.99573	14.0
153.63719	0.8
159.52725	0.9
173.06079	1.4
178.51904	0.9
199.07623	1.0
200.08121	1.4
233.45512	0.9
433.71182	1.1
448.16928	10.1
448.31433	4.1
449.22995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40239	0.7
57.03445	1.4
59.01378	87.4
61.98832	24.0
65.00324	5.0
69.03450	0.7
69.74520	2.5
69.74926	1.2
71.01380	7.4
73.02939	2.5
81.03447	2.9
83.01392	5.0
84.11935	0.7
85.02940	2.7
87.00870	1.3
89.02446	4.1
93.03449	3.2
95.01389	2.4
95.04986	1.1
97.02955	5.5
101.02424	5.6
104.71632	0.7
105.03446	2.1
107.01405	8.2
109.02952	3.0
111.04509	1.0
113.02453	4.0
119.03475	1.2
121.02946	5.3
123.00863	2.1
123.04520	2.2
125.01533	1.3
125.02451	24.2
131.95613	0.7
133.02834	1.0
134.03755	1.0
135.04518	82.4
136.04860	2.4
137.02443	5.5
143.03526	0.7
149.02409	9.1
151.00348	16.8
151.03860	0.9
153.01973	1.4
155.03503	1.9
159.04504	1.5
161.02419	2.2
161.04553	3.9
163.00328	4.4
163.03973	0.8
164.01134	2.1
165.01947	12.8
167.03482	5.4
173.04559	0.9
177.01927	1.4
178.99866	1.3
179.03508	2.4
181.01360	0.7
187.07674	1.0
191.03470	0.9
193.01408	61.5
194.01740	2.2
197.04503	1.2
201.05530	1.0
203.03433	1.1
205.01402	1.9
207.02989	0.9
209.04614	1.3
218.88315	0.8
223.02486	14.6
240.22943	0.7
259.06119	6.6
262.57727	0.9
269.04456	5.2
275.09219	1.9
287.05530	6.1
296.05939	0.7
311.05820	1.0
329.06641	100.0
330.07010	8.5
359.07715	19.7
360.08090	2.1
371.07745	3.0
387.16544	14.4
389.21918	6.2
413.09082	0.8
431.09631	1.6
449.10751	15.3
449.24255	1.2
450.11353	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03432	2.2
59.01377	81.8
60.01693	2.0
61.98830	26.7
65.00326	6.7
69.03444	1.2
70.90975	1.5
71.01385	7.8
73.02930	2.6
77.55327	0.7
81.03461	4.6
83.01371	5.1
85.02927	3.4
87.00871	1.6
88.12987	0.7
89.02438	6.0
93.03449	3.1
95.01388	3.1
97.02956	5.5
99.00841	1.4
99.35271	0.7
101.02426	5.7
105.03481	2.5
107.01382	7.2
107.04997	1.2
109.02953	4.4
111.04508	0.9
113.02431	3.4
113.66835	0.7
119.03454	1.5
121.02955	7.9
123.00859	2.6
123.04504	2.8
125.02443	29.5
133.02896	0.8
134.03737	1.6
134.79440	0.7
135.04523	90.3
136.04865	3.1
137.02443	5.0
139.03975	0.7
147.04573	0.8
149.02422	9.1
150.02840	0.7
151.00363	17.2
153.01932	1.9
155.03474	1.9
159.04524	2.1
161.02422	2.5
161.04549	4.6
161.05704	0.9
163.00365	4.5
164.01187	1.6
165.01907	10.7
165.05534	0.7
167.03481	7.2
175.04002	1.0
178.99866	1.1
179.03479	2.1
179.05515	1.1
179.47510	1.0
181.01413	0.9
187.07570	1.2
191.03514	0.9
191.05618	1.2
193.01407	68.8
193.42041	0.7
194.01756	2.5
197.04536	1.8
201.05489	0.9
205.01373	1.5
207.02934	1.7
207.10347	0.9
219.02942	1.4
223.02444	13.8
235.02280	1.1
243.06682	1.0
259.06100	8.4
269.04495	8.4
270.05032	0.8
275.09238	3.2
287.05621	9.0
311.05698	0.9
329.06641	100.0
330.06973	9.9
330.10608	0.9
359.07678	21.9
360.07874	1.8
371.07828	1.6
387.16644	11.8
389.21954	5.9
449.10892	20.0
449.16861	1.2
449.24454	1.1
450.11240	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33863	0.2
51.52051	0.2
52.68744	0.3
54.76130	0.3
55.01879	0.3
55.07882	0.2
57.03437	0.6
58.00600	0.4
59.01378	50.5
60.01708	3.6
61.01794	0.4
61.98827	100.0
63.19913	0.2
71.01379	6.8
71.54384	0.4
72.01716	0.5
72.99294	0.6
73.02945	3.0
74.03273	0.3
83.01387	1.0
85.02950	2.2
86.03294	0.4
87.00883	2.9
88.01205	0.4
88.51105	0.3
89.02442	5.9
90.02762	0.5
92.04486	0.3
93.03495	0.3
95.01387	0.4
96.95998	0.2
101.02440	4.1
102.02746	0.9
113.02455	3.7
114.02729	0.8
116.47688	0.3
119.03506	2.3
125.02419	0.4
131.03447	0.5
134.03711	0.4
143.03423	0.6
144.03708	0.3
149.04500	0.3
153.09059	0.4
155.03543	0.2
161.04605	1.9
162.04810	0.4
173.04520	0.3
173.05930	0.3
179.05611	1.4
180.05875	0.4
181.20741	0.2
185.11580	0.3
187.07538	0.5
191.05504	0.5
216.37965	0.3
227.06973	0.4
228.07329	0.4
229.44202	0.3
231.10112	0.3
235.30084	0.3
244.16135	0.5
275.08960	1.0
315.02084	0.3
387.19821	0.4
388.20496	3.6
389.21817	1.7
406.20929	0.9
419.71988	0.3
448.16837	0.4
448.22034	0.8
449.10071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38282	0.2
57.03456	0.4
57.88843	0.2
59.01379	48.3
60.01712	4.4
61.01809	0.4
61.98829	100.0
70.36921	0.2
71.01378	6.9
71.54227	0.2
71.54599	0.2
72.01722	0.5
72.64172	0.2
72.99311	0.3
73.02951	2.7
74.03293	0.4
79.69710	0.2
82.66295	0.2
83.01397	0.9
85.02954	2.5
85.15623	0.2
87.00880	2.9
88.01217	0.3
89.02443	5.3
90.02810	0.6
95.01386	0.3
96.96024	0.4
97.02962	0.2
99.00904	0.4
101.02441	3.9
102.02795	0.8
108.89615	0.3
113.02455	3.5
114.02756	0.4
119.03500	1.7
120.03855	0.3
123.04517	0.5
130.99834	0.3
131.03441	0.3
134.03842	0.2
143.03490	0.7
149.04546	0.4
149.05898	0.2
153.09140	0.4
161.04582	2.4
162.04909	0.4
173.04494	0.5
179.05606	1.5
180.05917	0.3
187.07568	0.6
191.05615	1.0
191.49303	0.3
202.06296	0.3
228.07440	0.3
231.10141	0.7
237.65482	0.2
243.15836	0.4
244.16225	0.6
275.09216	1.3
387.19815	0.4
388.20599	3.4
389.21829	1.9
406.21667	1.3
448.10037	0.3
448.22595	0.6
449.10355	0.8
449.23938	0.5
455.76904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71445	0.4
56.41168	0.4
59.01377	100.0
60.01720	0.9
60.91956	0.4
61.98825	1.0
64.82488	0.4
68.76849	0.4
69.40489	1.5
69.40918	1.5
71.01378	7.4
72.99324	0.5
73.02948	1.4
78.95908	1.4
83.01380	0.6
85.02978	1.3
87.00896	1.7
89.02446	11.6
96.96025	0.8
96.96967	1.2
98.20718	0.8
101.02434	4.5
102.00480	0.5
113.02441	3.4
119.03492	4.1
131.03508	0.7
134.62029	0.4
143.03546	1.2
149.04594	0.8
154.01541	0.5
161.04604	1.7
179.05591	6.0
188.05052	0.5
273.58658	0.5
387.20114	2.2
403.10422	0.6
422.67456	0.6
447.22571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.4
59.01375	100.0
60.06738	0.3
63.16707	0.3
66.92991	0.3
68.20911	0.3
70.28381	1.2
70.37827	0.4
71.01379	5.3
73.02966	0.7
80.57911	0.4
85.02950	1.3
87.00893	0.6
89.02441	7.3
101.02439	3.5
105.79057	0.4
110.91585	0.4
113.02422	2.1
119.03477	3.2
122.55859	0.3
131.03487	0.4
143.03503	0.6
146.68091	0.5
149.04619	0.5
161.04524	3.1
167.93001	0.3
173.09627	0.4
179.05646	1.8
189.12811	2.0
207.13962	0.9
322.39679	0.3
387.20276	4.2
447.22360	1.6
452.97037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85530	0.3
59.01381	0.9
70.38708	0.7
71.03597	0.3
78.95897	5.7
87.00870	0.7
101.47071	0.3
110.98529	4.3
126.11306	0.2
152.99561	0.9
167.01114	1.8
173.06104	0.3
185.02185	3.9
261.22247	0.6
279.23273	100.0
280.23618	8.8
447.16711	1.0
447.25092	10.1
448.25400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56395	0.2
55.01883	0.2
59.01381	2.7
60.45484	0.2
61.98821	0.8
71.01379	4.3
71.05027	1.0
71.53420	0.4
73.02935	0.6
74.72463	0.3
78.95893	0.8
79.95729	2.3
81.05005	0.2
85.02937	0.5
87.00874	0.5
88.04047	0.8
89.01220	0.2
89.02436	1.1
96.96005	100.0
97.95950	0.5
99.00878	0.5
101.02432	0.7
109.02945	0.4
113.02467	0.6
116.07150	0.4
125.02444	0.5
146.08220	9.2
147.08562	0.2
152.44502	0.2
153.01965	0.4
164.03519	0.8
167.03510	0.3
191.05624	0.3
219.23933	0.2
233.10156	0.4
278.12433	1.2
301.07126	0.3
329.06546	0.7
350.14542	19.6
351.14813	1.7
359.07910	0.4
388.09418	0.4
419.05951	0.3
448.13663	0.3
449.10956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
60.04308	0.3
61.98850	0.7
68.23855	0.3
69.63133	1.3
71.01378	3.9
71.05023	1.2
73.02950	0.5
78.95901	0.5
79.95747	2.5
84.53810	0.3
85.02955	0.6
87.00874	0.4
88.04036	0.6
89.02461	1.1
92.01910	0.2
93.03458	0.4
96.96008	100.0
99.00826	0.3
99.04490	0.4
101.66222	0.3
102.29179	0.3
113.02425	0.4
113.92609	0.3
146.08224	10.3
151.58485	0.3
161.04588	0.3
164.03525	0.6
191.05600	0.4
233.10190	0.4
278.12485	1.3
284.23248	0.3
329.06564	0.6
350.14542	19.0
351.14899	1.3
388.09497	0.4
448.14508	0.4
449.10709	0.3
449.16217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1656
Annotation	2,3-Epoxyjuanislamin
Peak:m/z	Relative Intensity
57.03443	4.3
59.01364	1.2
70.28711	2.6
73.02926	2.8
87.00871	22.7
89.62769	0.9
93.96635	1.0
97.06579	3.0
101.02423	7.0
105.03479	1.8
113.02455	1.0
119.05021	1.9
130.99846	7.6
137.02420	1.1
143.05008	0.9
143.08739	0.9
145.02895	1.0
145.06566	2.0
146.03755	1.5
147.04520	11.8
148.05264	2.6
158.03789	2.3
159.04471	3.3
160.05244	1.6
161.06081	1.2
171.04482	1.3
171.08076	2.6
172.05292	4.2
173.04660	1.5
173.06076	22.1
174.03249	1.7
174.06819	5.5
175.07614	5.5
184.05276	1.6
185.06001	1.8
186.06856	3.5
187.04034	1.8
187.07640	8.7
188.04741	2.8
189.05534	2.1
189.09186	4.8
191.03511	2.2
192.04210	1.4
196.05258	3.1
198.03197	3.1
199.07634	11.9
200.08344	2.6
201.05663	1.1
201.09204	8.4
202.06328	4.0
203.07159	5.2
210.06885	1.9
211.07605	0.9
211.13361	3.3
212.04637	1.1
214.06403	6.4
215.07153	13.5
215.10823	1.6
216.07709	1.3
217.08656	8.0
218.02393	1.8
218.09428	10.7
224.08302	1.1
225.07394	1.0
225.09251	7.9
226.09860	2.6
227.07141	9.8
227.10757	1.1
228.07846	2.7
229.08698	4.2
243.06668	4.9
243.10242	16.0
244.07111	1.0
244.10985	3.6
245.08109	2.4
271.13406	2.6
284.48407	0.9
287.09265	1.2
288.10052	1.4
289.10892	1.1
312.95782	1.0
313.14478	3.2
315.15933	1.1
325.14377	5.1
341.13879	4.5
341.17505	1.9
343.15698	1.8
350.10104	3.2
369.13373	6.2
385.16498	3.8
387.14380	1.3
403.17487	2.6
429.15289	2.2
447.16565	100.0
448.16895	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15814	0.2
55.01864	0.4
57.03450	2.2
58.00585	0.5
58.20681	0.3
59.01379	100.0
60.01715	0.8
61.05327	0.2
61.98829	1.0
68.03361	0.2
69.03460	0.4
69.35670	1.1
69.36078	0.7
71.01381	10.2
72.99303	0.4
73.02943	13.2
75.00884	0.3
83.01394	3.0
85.02946	2.4
87.00890	0.9
89.02444	6.3
93.03493	0.3
95.01413	0.6
96.96015	0.6
97.02964	0.5
99.00934	0.3
101.02439	11.5
113.02449	5.2
119.03494	2.4
121.80799	0.2
123.08177	0.7
125.02425	0.4
129.46957	0.3
131.03545	1.0
135.04562	0.3
143.03482	1.2
149.04579	0.5
155.03427	0.3
161.04544	2.3
167.10776	1.3
179.05565	1.2
184.03836	0.3
191.05569	0.5
217.08685	0.3
264.10431	0.3
282.15091	0.2
387.20404	1.5
405.21494	0.5
447.09656	0.5
447.22757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03449	7.2
59.01379	100.0
60.01690	1.4
61.98810	3.0
64.50165	0.9
67.01884	2.2
68.99805	2.6
69.03451	11.4
69.74320	4.8
71.01381	24.1
71.05022	2.1
72.99282	1.8
73.02942	6.6
75.00864	3.0
75.01273	0.7
78.22537	0.7
81.03476	1.0
83.01391	4.7
83.05039	1.0
85.02950	20.6
87.00885	8.4
89.02448	11.8
91.03986	1.2
93.03468	1.7
93.49995	0.7
95.01376	3.4
97.06543	1.0
99.00874	2.3
101.02437	11.5
107.01398	1.9
111.00862	2.9
111.08154	2.3
113.02452	18.8
113.06081	2.0
113.58390	0.9
119.03537	5.4
123.08192	1.9
125.02423	0.9
129.01918	1.5
129.96004	1.0
133.02956	2.8
134.03734	1.1
137.02425	1.4
137.09717	1.1
139.00374	1.6
139.11295	17.1
143.03435	1.6
151.00403	4.5
153.09221	2.6
157.01392	1.2
161.04559	5.8
171.70909	0.9
173.04509	2.4
175.03940	1.1
179.05571	3.7
181.12291	1.6
183.10266	38.6
184.10564	1.5
191.05592	2.6
199.03975	1.8
205.07120	2.9
217.04965	1.0
225.14973	1.2
227.03436	1.6
229.08650	2.2
243.15976	1.7
247.90733	0.9
249.06084	3.3
256.03662	3.4
263.07727	16.9
267.07187	1.9
281.08694	3.1
284.00012	1.0
284.03250	44.4
285.04022	80.9
286.04391	4.0
327.04950	1.5
348.10855	0.9
387.20151	12.8
388.20773	1.1
403.15915	2.3
405.21317	2.3
415.16055	1.2
447.09195	57.0
447.18597	75.1
448.09659	6.2
448.18948	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	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15463	1.1
50.16568	1.0
59.01366	4.0
61.98827	100.0
65.58777	0.9
71.53718	1.2
78.95895	3.0
87.00884	5.5
98.88139	0.9
112.71927	1.0
128.41614	1.1
130.99780	1.7
135.04523	1.4
152.99544	1.4
155.75151	0.9
161.02414	2.1
164.85628	0.9
166.77000	0.9
173.06084	1.3
215.07100	1.2
217.08699	1.4
230.38087	1.0
274.29279	1.1
447.10059	1.7
447.16571	8.7
447.22772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01373	51.9
61.98809	0.8
63.02365	0.5
64.37053	0.4
65.00311	1.0
71.01370	7.8
72.99255	0.6
73.02951	2.9
75.00881	0.8
77.61629	0.5
81.79263	0.4
82.00596	0.5
83.01389	1.9
84.06245	0.4
85.02935	3.5
87.00880	3.6
89.02429	5.4
93.03448	1.4
95.01373	0.9
96.96004	0.7
99.00903	0.7
99.04472	0.5
101.02435	5.8
107.01395	0.6
111.00845	0.7
113.02448	5.2
115.04005	0.5
117.03447	0.5
117.73305	0.4
119.03504	3.0
120.30984	0.5
121.02920	1.1
125.02435	0.6
131.03496	0.5
133.02917	0.5
134.03731	0.6
136.98819	2.5
137.99176	0.8
139.11319	0.9
143.03493	0.7
149.04483	0.9
149.06082	0.6
151.00357	2.2
161.04559	3.5
169.01378	0.5
173.04610	1.1
177.01933	0.6
179.05614	2.4
183.04564	0.7
183.10260	1.7
185.06058	0.6
187.03973	1.1
199.04060	0.6
211.03955	1.5
211.13452	0.5
213.20877	0.5
227.03468	58.6
228.03819	2.9
229.05000	1.1
229.08638	1.2
239.03418	0.7
243.16064	0.9
255.02953	75.1
256.03464	16.0
257.04352	1.8
269.00928	1.3
283.02518	5.3
284.03168	75.1
285.03912	24.2
286.04282	2.5
315.18155	1.3
327.05075	1.5
369.18753	0.6
387.20172	5.6
405.21085	2.2
447.09244	100.0
448.09555	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	447.0931
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01870	0.6
57.03452	2.2
59.01379	54.4
60.01720	0.6
61.98840	1.0
63.02407	1.0
63.37622	0.4
65.00323	0.9
67.01889	0.8
68.99820	0.6
69.03455	3.0
71.01381	8.6
71.05038	0.8
71.54246	0.4
71.54613	0.4
71.84528	0.3
72.64751	0.3
72.99324	0.5
73.02941	2.8
74.16112	0.3
75.00887	0.7
81.03500	0.4
81.53587	0.3
83.01394	1.7
85.02943	4.9
85.03402	0.5
87.00878	2.4
87.16740	0.3
88.12849	0.5
89.02450	4.7
93.03473	0.9
95.01410	1.1
99.00883	0.7
101.02438	4.7
107.01390	2.0
109.02979	0.8
111.08186	0.5
113.02449	6.0
113.06086	0.5
119.03537	2.5
121.02966	0.7
123.08156	0.5
125.02447	0.5
133.02982	3.7
134.03749	1.1
139.11310	4.5
143.03600	0.6
147.08061	0.3
148.01715	0.4
149.02463	1.2
151.00386	4.6
153.09145	0.8
153.21523	0.3
161.04568	3.5
161.09598	0.4
169.01636	0.4
173.04581	0.7
175.03975	1.9
179.05598	0.9
183.04446	0.5
183.10248	9.0
185.06064	0.4
191.03499	0.5
191.05656	0.7
199.03960	1.9
200.04681	0.8
205.07082	0.6
211.04021	1.3
213.05573	0.6
217.05067	0.8
219.51318	0.3
225.15050	0.5
227.03517	1.5
227.07115	0.3
229.08684	1.0
239.03430	0.5
241.05008	0.5
243.03227	0.4
243.16136	0.4
255.02975	1.1
256.03812	3.9
263.07706	3.8
267.07431	0.4
271.05911	0.4
281.08719	0.8
283.02475	0.5
284.03256	56.4
285.04019	100.0
286.04355	7.0
297.03894	0.5
307.73297	0.4
327.05222	1.6
335.24466	0.4
386.15506	0.4
387.20190	7.5
405.21320	0.9
447.09311	72.9
447.18484	16.0
448.09665	7.2
448.19073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01378	13.2
61.98831	0.5
63.02374	0.2
65.00319	0.9
69.03432	0.4
71.01383	1.7
72.99294	0.2
73.02940	0.9
73.40616	0.2
75.00880	0.2
79.34766	0.2
83.01382	1.0
85.02944	0.7
87.00880	1.3
89.02439	1.0
91.26033	0.2
93.03461	0.4
96.96002	1.8
97.02945	0.2
97.06576	0.7
99.00861	0.3
101.02457	2.0
103.58932	0.2
105.03464	0.3
105.95672	0.2
106.91604	0.2
107.01385	2.2
113.02421	1.1
121.02949	0.4
122.65133	0.2
127.15236	0.2
133.02940	8.7
140.71451	0.2
143.03447	0.3
143.05045	0.3
145.02998	0.5
146.03757	0.3
149.02434	1.5
149.04443	0.3
149.06061	0.3
151.00368	4.7
157.06602	0.3
159.04553	0.4
161.04544	0.5
171.04547	0.4
172.05255	0.3
173.05986	0.4
175.03969	2.8
177.02065	0.2
179.05527	0.3
185.06079	0.7
186.06758	0.4
187.03992	0.5
187.07666	0.4
188.04587	0.3
189.05472	0.4
191.05614	0.4
191.10594	0.3
197.06064	0.7
198.03253	0.4
199.02341	0.3
199.03993	1.9
199.07661	0.6
200.04501	0.4
200.08470	0.4
201.01912	0.9
201.05608	0.2
201.09181	0.6
202.06195	0.2
211.03947	0.4
211.07545	0.4
212.04478	0.4
213.05489	0.8
213.09186	0.5
214.06331	0.3
215.03493	0.4
215.07155	0.7
215.10760	0.7
217.05020	1.2
223.03990	0.3
225.09149	0.6
227.03453	0.5
227.07059	0.4
227.10805	0.3
228.03841	0.5
228.11572	0.3
229.04979	0.4
229.08653	0.6
239.03395	0.4
239.07207	0.4
239.10677	0.5
241.05098	1.1
241.08643	0.5
241.12248	0.7
243.02924	0.8
243.06567	0.3
243.10213	1.2
243.13828	0.3
244.10930	0.8
245.08186	0.2
253.08688	0.4
253.12372	0.4
255.03014	0.5
255.10251	0.4
255.13838	0.3
256.03528	0.6
256.10977	0.3
257.04379	0.3
257.11716	0.3
267.02942	0.4
268.10922	0.6
269.11722	0.7
269.15402	0.6
271.13312	0.6
279.13953	0.4
283.02405	0.7
283.13388	0.4
284.03027	2.1
284.14429	0.3
285.04016	100.0
286.04349	7.0
294.12634	0.3
295.16745	0.3
297.14954	2.0
300.13477	1.2
311.12808	0.7
312.13754	0.3
313.18021	0.6
315.16046	0.3
323.16467	1.2
325.14447	0.4
341.17508	2.2
367.15488	0.4
385.16483	4.0
386.16837	0.5
387.20212	0.7
429.15555	1.2
447.09067	6.1
447.16629	6.0
447.26160	0.5
448.09341	0.6
448.16727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1658
Annotation	2,3-Epoxyjuanislamin
Peak:m/z	Relative Intensity
59.01368	5.6
60.55409	1.0
61.98818	2.3
69.03493	1.1
69.33663	9.1
70.98105	1.0
71.01363	1.8
80.71340	1.0
85.02924	1.4
87.00880	6.0
93.03458	1.2
101.02427	3.0
113.02445	1.5
130.02927	1.0
130.99834	1.2
135.04480	2.3
137.02451	4.6
139.04031	2.3
145.06570	1.5
146.03729	3.8
147.04524	21.1
148.05356	6.9
149.05925	1.2
159.04510	16.9
159.84731	1.2
160.05289	2.5
161.02495	1.5
161.04865	1.2
161.06026	5.8
162.06694	1.3
171.08167	1.3
172.05357	9.1
173.06041	21.7
174.03236	2.5
174.06856	15.7
175.03992	2.1
175.07640	1.7
183.04536	1.3
185.06049	7.8
186.06879	10.0
187.04002	15.4
187.07571	10.5
188.08290	2.6
189.05548	9.2
189.09300	1.8
192.04263	4.4
196.05267	2.0
197.06015	6.0
198.06790	5.3
199.07632	6.4
200.04779	3.1
200.08414	8.0
201.05574	14.7
201.09181	3.8
203.06950	1.5
211.07597	3.0
211.13333	5.9
212.08432	3.4
213.05687	2.3
213.09090	2.4
214.06311	2.6
215.07207	8.5
215.10657	3.2
216.07881	15.7
217.08595	3.1
218.05838	1.6
218.09410	1.4
225.09215	3.6
226.09897	1.6
227.07167	1.7
227.10760	1.7
229.08568	1.4
236.03304	2.1
241.12350	3.2
242.05791	3.8
243.10303	5.2
260.06879	2.2
268.11047	2.6
269.15356	1.5
271.13193	5.4
283.13474	4.0
285.07626	1.7
285.14999	4.0
289.10944	1.2
297.14948	57.1
297.17981	2.0
298.15305	5.2
300.13663	4.8
301.14191	2.5
305.15518	1.4
311.12796	3.4
313.18097	3.3
315.16003	25.7
316.16385	2.4
318.14645	2.0
323.16501	24.1
324.16913	3.0
325.14453	3.0
329.13867	3.8
331.07520	1.2
339.15753	1.3
341.14206	1.6
341.17535	41.2
342.17877	3.1
357.17041	1.7
359.18640	28.8
360.19031	2.6
367.15366	2.8
369.13437	2.6
385.16568	17.8
386.17038	1.4
403.17575	18.2
404.17551	1.9
411.14456	1.8
429.15417	14.9
430.15958	2.3
447.16602	100.0
448.16928	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
61.98819	0.6
62.81541	0.2
62.96402	1.3
63.40725	0.2
69.44627	0.9
69.45052	0.8
78.95901	35.2
87.00847	1.5
96.96956	2.4
98.20620	0.4
130.99846	0.6
149.00084	17.9
151.01683	0.2
157.23718	0.2
158.92525	1.3
173.06035	0.5
179.01161	2.3
187.07478	0.2
203.06979	0.2
205.15974	1.6
215.07008	0.4
218.09444	0.3
240.96786	0.3
267.11542	0.3
324.95398	0.2
347.08112	0.6
350.09967	0.3
417.12186	0.8
431.10294	2.5
432.10376	0.3
432.20975	0.2
447.13345	100.0
448.13690	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	445.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98826	31.8
62.62896	1.0
87.00874	1.2
91.04003	5.0
96.96008	1.9
117.03486	2.8
119.03584	1.4
121.02927	1.9
136.92613	1.1
144.67691	1.2
145.02962	10.6
147.04538	1.1
158.40770	1.0
164.53629	1.1
197.11755	1.6
211.13330	2.6
293.21237	1.7
311.22266	21.6
312.22440	2.4
319.14471	1.1
368.54675	1.2
445.29742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36957	0.2
59.01380	1.0
61.98828	100.0
70.10220	0.9
78.95934	0.4
85.02949	0.3
96.96001	0.6
109.02980	0.7
114.14559	0.3
135.00850	0.5
138.05611	0.5
141.14714	0.2
149.88774	0.2
153.01930	0.5
164.07190	0.3
408.74564	0.2
447.11322	1.3
467.26889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25094	0.7
59.01378	12.3
61.01808	0.7
61.98827	100.0
62.96397	0.8
66.71751	0.7
71.01369	1.1
71.54335	1.3
73.02969	1.2
78.95897	43.4
87.00875	21.3
96.96951	2.7
97.06612	1.2
97.47379	0.9
101.02463	1.4
108.70240	0.8
111.16607	0.8
115.77576	0.9
130.99884	5.9
138.88354	0.9
147.04536	1.7
148.05249	1.3
149.00081	14.7
152.99586	20.5
171.00665	1.0
173.06030	4.0
175.07642	2.1
175.69693	0.8
179.01137	1.8
187.07664	1.6
189.09306	1.3
199.07585	2.0
201.09245	1.2
205.16002	0.9
215.07106	2.3
215.68646	0.8
217.08708	1.8
218.09451	2.4
225.09233	1.0
227.07239	2.0
243.10249	1.7
244.07170	1.0
341.13913	1.1
350.10123	2.0
352.09311	2.2
367.11768	2.3
369.13422	1.1
392.68948	0.9
431.10168	1.6
432.69992	1.1
446.15079	1.2
447.13089	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.1
70.75901	1.0
71.01389	0.5
78.37379	0.3
78.95895	5.3
84.46285	0.4
96.95977	0.5
106.77460	0.4
110.98511	5.0
167.01067	2.2
185.02194	4.3
192.13568	0.3
277.21692	100.0
278.22028	8.5
445.23627	7.5
446.23682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04231	0.5
59.01377	100.0
60.01710	1.1
61.98827	4.7
68.19110	0.5
69.24473	1.9
69.24906	2.4
72.77353	0.5
78.95898	5.3
87.00900	1.5
88.95134	0.5
88.98792	1.1
91.03987	2.7
116.92899	0.5
152.99574	9.4
161.49831	0.5
171.10297	0.6
187.07663	0.7
197.11853	0.5
211.13391	1.4
224.73695	0.5
293.21097	1.0
311.22247	14.9
311.25754	0.7
312.22638	1.2
445.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.00592	0.8
59.01376	100.0
60.01698	1.1
61.98827	17.7
67.99808	0.4
69.65044	2.1
71.01379	17.8
72.99335	0.8
73.02941	1.2
81.03435	0.6
83.01394	0.5
83.05029	2.7
84.72119	0.4
85.02933	2.9
87.00878	2.3
89.02441	27.3
90.02811	0.6
93.03461	1.0
95.01384	0.9
96.95972	0.5
97.32306	0.4
99.04523	0.6
101.02434	8.6
113.02445	8.4
119.03495	10.7
123.04538	2.0
124.57905	0.4
125.02470	0.8
131.03545	1.1
137.02441	0.5
143.03496	3.1
149.04626	1.2
149.06111	0.7
153.85233	0.4
161.04559	4.8
164.86780	0.4
173.04553	0.5
179.01784	1.0
179.05592	20.2
180.05898	0.6
193.05000	0.8
205.12369	1.0
227.09131	0.4
237.02074	0.4
255.05046	0.8
269.07791	0.5
287.05597	0.7
365.06967	0.5
403.20126	0.8
445.07928	0.6
445.21307	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03434	2.5
58.00592	0.6
59.01377	100.0
60.01722	1.0
61.98816	0.8
66.93457	0.4
69.61614	1.1
69.62027	1.8
71.01379	24.4
72.99301	1.1
73.02943	5.3
75.00868	0.5
76.54963	0.4
83.01392	1.3
85.02947	5.9
87.00865	3.3
89.02440	29.3
90.72549	0.5
93.03478	2.6
95.01397	1.3
95.05029	0.5
96.96014	4.2
97.02944	0.5
97.06675	0.5
99.00887	4.5
101.02437	16.1
113.02438	8.6
119.03489	8.3
119.04996	1.1
123.04545	1.7
125.02460	1.3
129.01961	0.7
130.44302	0.5
130.45235	0.4
131.03520	2.7
136.05327	1.9
143.03506	1.9
147.04559	0.5
149.04541	7.4
149.06081	1.1
149.09605	0.7
151.11339	0.9
152.03539	1.1
159.04503	0.7
161.04527	6.3
161.09752	0.8
163.11243	0.9
163.99438	1.7
165.09145	0.5
173.04585	1.3
179.01680	4.2
179.05608	3.7
179.10776	18.1
180.04256	3.9
180.11169	0.7
187.11368	1.0
191.05548	2.7
198.95207	0.5
205.12300	9.6
211.03984	0.6
213.09203	0.7
220.02005	0.7
223.13411	3.4
241.08679	0.7
247.08093	0.7
251.07635	0.8
260.91867	0.6
271.15765	1.0
275.07431	5.1
277.08936	2.7
281.04385	0.5
283.76334	0.5
284.03610	0.6
297.30255	0.6
341.16000	8.2
342.16467	0.8
365.06952	2.6
367.17599	4.8
385.14337	0.6
385.18802	1.3
428.09888	1.8
435.61432	0.8
444.62048	0.7
445.12668	1.3
445.17349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94188	0.6
59.01381	7.8
61.03612	0.5
61.98822	0.7
68.99812	3.4
69.84783	2.8
71.01395	1.2
73.02960	0.9
77.03963	1.3
79.05537	2.3
85.58446	0.6
87.00870	1.7
89.02449	0.8
91.05527	11.5
91.06068	1.0
93.03471	3.2
95.05016	5.4
96.96006	1.8
98.19912	0.9
101.02449	0.8
101.03962	0.8
103.05527	6.6
105.03452	14.0
106.04373	0.6
108.02174	8.5
109.02963	1.6
111.04478	0.6
113.02429	1.0
117.03428	0.7
119.05019	13.2
120.05404	0.7
121.02950	13.3
122.03705	1.7
123.04530	2.2
129.03459	3.1
132.02158	1.4
133.02957	1.7
137.02420	7.5
139.03989	2.7
145.02956	2.3
146.03706	2.4
147.04509	100.0
148.05286	8.5
149.02454	4.5
149.06076	11.6
150.03247	1.1
151.03978	1.5
158.03645	0.7
161.02420	8.7
163.04018	1.4
164.04771	8.0
165.05489	2.0
173.04616	0.9
173.06075	2.4
175.03996	6.9
176.04758	4.9
179.01747	1.7
179.03477	7.4
179.07108	6.9
189.71448	0.5
191.03490	30.1
191.07130	2.2
192.04234	9.9
193.05003	5.7
194.05823	9.1
195.06473	1.4
199.04013	1.2
201.05545	4.7
205.04984	0.6
207.06596	19.2
208.07042	1.0
209.08157	9.3
211.03812	0.5
215.07158	0.7
217.01468	1.6
219.02840	0.8
224.03284	0.8
225.13353	0.5
227.03494	1.9
233.08171	2.1
235.02353	0.7
236.03259	1.1
239.03270	0.8
245.04533	1.8
255.02983	1.4
277.07074	6.3
278.07269	0.8
283.02411	2.4
283.09662	0.6
284.03336	0.8
289.05344	0.6
325.10794	1.2
327.08713	1.0
339.16000	0.8
357.13443	1.1
365.06567	0.9
369.09790	1.7
371.11246	6.3
372.11774	0.8
383.11334	3.5
383.15588	0.7
384.11841	0.9
401.12387	3.3
444.60980	1.6
445.11340	23.6
445.20407	1.0
446.08676	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	445.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53677	1.1
59.01377	40.9
69.23586	8.9
69.23988	3.1
71.01374	3.5
72.00909	2.5
72.07667	1.3
72.99304	1.3
75.00864	32.2
89.02435	4.4
99.00880	1.5
101.02473	1.8
103.00368	100.0
104.03542	10.7
104.12227	1.2
104.29694	1.1
113.61074	1.2
115.00404	1.8
121.72622	1.2
133.01405	5.4
133.05067	1.9
149.04594	2.2
167.80858	1.2
183.02789	1.2
218.01329	1.2
341.10870	6.1
385.13602	1.9
416.55270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
58.00584	1.1
59.01376	100.0
60.01697	1.0
70.90561	0.9
70.90897	1.3
71.01376	16.4
82.37778	0.7
83.05052	2.0
85.02946	1.6
87.00904	1.5
89.02441	29.1
99.04546	1.8
99.28052	0.7
101.02433	8.0
113.02447	6.9
113.69540	0.8
119.03502	10.7
131.03526	0.7
143.03503	2.5
143.11293	0.8
149.04594	1.3
151.26961	0.8
161.04568	4.7
164.04852	1.2
174.52521	0.8
179.05614	20.4
179.06993	1.1
182.40729	0.7
283.67691	0.8
445.07153	1.3
445.20889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	0.8
60.80366	0.4
61.21895	0.4
61.98827	1.5
68.24331	0.4
70.07716	0.7
70.08115	0.9
85.22092	0.4
87.00875	0.4
89.02436	0.6
91.03995	3.1
96.96008	0.4
97.35841	0.5
106.78578	0.4
111.08170	1.3
113.04531	0.4
115.92091	0.5
116.92876	1.2
171.10362	0.5
172.19633	0.4
173.33347	0.4
193.63794	0.4
197.11824	4.4
200.04709	0.4
211.13475	0.4
227.12991	0.4
257.08176	0.9
271.02618	0.4
277.80121	0.4
291.19604	3.6
298.01352	0.7
301.07620	0.5
302.08136	0.5
309.20709	10.6
310.20947	1.0
313.07553	0.5
378.85275	0.4
396.08621	1.4
428.11230	0.7
443.07419	0.6
443.13004	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.1
60.29085	0.4
61.98820	2.2
67.56631	0.4
69.32478	0.4
71.43382	0.7
77.21934	0.4
130.24863	0.5
152.26123	0.4
209.11909	1.2
215.75392	0.4
257.54944	0.4
291.19821	2.1
309.20706	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	444.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81408	0.7
57.40755	0.7
59.01379	4.6
59.88927	0.8
61.98830	100.0
69.54410	1.9
69.54819	2.8
71.01402	0.7
78.95895	1.0
85.34926	0.7
94.38402	0.7
95.95238	0.8
147.56361	0.8
166.96686	0.9
324.78644	0.7
403.41153	0.9
421.43057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77304	1.1
59.01377	32.4
61.98829	100.0
64.14584	0.9
71.54217	1.1
78.95907	1.1
91.03989	1.3
96.96056	1.2
117.03458	1.5
145.02948	3.7
211.13312	1.6
270.22787	0.8
311.22296	7.2
406.87784	1.0
412.53091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	0.8
61.98823	2.4
68.39604	0.4
68.88837	0.4
71.01373	0.9
71.38422	0.9
89.02460	0.6
91.04005	1.2
111.08185	1.1
113.02418	0.7
137.09720	0.8
145.77632	0.4
171.10326	0.5
197.11821	2.4
207.61916	0.4
208.44308	0.4
225.07320	0.4
257.08276	0.5
291.19751	2.9
292.20123	0.4
299.02145	1.4
300.02792	1.0
309.20712	7.0
310.20963	0.6
313.14288	0.4
315.05200	1.5
346.07019	1.5
398.27753	0.4
443.13208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.1
60.29085	0.4
61.98820	2.2
67.56631	0.4
69.32478	0.4
71.43382	0.7
77.21934	0.4
130.24863	0.5
152.26123	0.4
209.11909	1.2
215.75392	0.4
257.54944	0.4
291.19821	2.1
309.20706	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	443.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04210	0.6
59.01378	65.5
61.98823	5.6
65.00325	4.4
71.01380	2.9
72.99287	0.9
73.02931	1.3
74.72209	0.6
82.00639	0.7
87.04507	1.0
89.02420	1.1
95.01376	2.6
98.20737	1.9
99.00900	1.6
101.02445	1.3
101.83131	0.8
109.28407	0.7
110.00093	15.4
111.00880	2.9
113.02470	1.6
113.41096	0.8
119.60901	0.8
122.00069	0.7
123.00875	2.2
125.02406	1.0
125.99593	1.3
136.98836	6.4
137.02412	1.1
137.99591	3.3
139.00377	17.7
140.01164	6.3
141.01900	2.2
146.03716	1.2
152.01155	0.8
155.03497	8.5
158.82968	0.7
159.04495	3.3
161.04591	1.2
164.98260	6.5
165.99071	34.4
166.99847	19.5
168.00607	3.6
172.05269	1.8
173.06032	4.8
174.03186	1.5
174.06831	2.4
175.07648	1.6
180.00627	1.5
181.01421	12.0
181.98505	0.7
185.06081	1.8
187.07664	2.0
189.05463	0.7
192.00677	1.0
199.04045	1.5
199.07603	1.4
200.04759	10.4
201.05502	3.3
201.09218	1.4
203.06995	1.4
210.84801	0.7
211.07697	0.8
212.04733	1.2
213.05562	4.4
213.07304	0.8
214.06041	1.2
215.07132	3.8
215.99170	0.8
227.07144	2.1
228.07846	4.5
229.08694	19.6
230.08981	1.3
240.04138	1.1
251.07079	0.8
255.06596	10.1
256.06985	1.2
271.02417	1.1
281.08099	0.8
282.05768	0.8
295.06061	1.0
297.07581	1.3
299.01855	1.7
300.02753	0.8
312.02756	2.9
314.04413	1.1
323.05618	1.2
324.02762	7.7
325.03448	1.6
333.07895	0.9
339.05048	9.0
341.06577	6.6
342.07224	1.5
352.05856	1.5
353.06635	1.5
367.04520	2.1
368.08984	2.4
369.09616	0.9
378.07373	1.7
393.09601	1.7
396.08633	2.2
401.25540	2.2
411.10776	9.5
428.05582	1.3
428.11121	16.9
429.11215	2.4
443.13434	100.0
444.13739	10.8
449.76892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.1
61.98821	1.6
62.83242	0.6
65.77219	0.8
67.01877	0.9
71.01374	3.4
71.05016	13.9
72.99300	0.8
85.02969	1.5
87.00867	2.9
89.02430	1.3
90.08874	0.7
93.03459	3.3
101.02422	2.6
103.99664	0.7
107.05021	1.6
109.02953	1.6
113.02452	1.7
119.03509	0.9
121.02953	10.9
133.02943	1.2
134.03737	19.3
137.02457	4.3
139.00409	1.0
147.00891	2.9
147.04497	1.5
149.06073	1.2
149.09688	3.1
161.02419	4.6
161.04555	1.2
165.98978	1.0
172.05333	1.1
173.02461	1.0
173.04530	1.8
173.05945	0.8
175.03947	0.9
175.58412	0.8
177.09198	4.2
189.01982	1.5
190.99788	1.1
196.05370	0.7
199.03986	0.8
200.04709	1.0
201.01907	2.2
205.04883	1.0
215.07388	0.8
219.02895	1.4
219.06720	0.7
221.08171	100.0
222.08513	5.8
229.03107	0.8
229.08760	1.3
232.03732	6.6
233.04483	5.2
234.05182	0.7
239.07047	0.9
247.06058	6.5
248.06667	1.2
267.06607	1.2
284.03293	1.2
298.01239	1.2
300.06033	1.1
313.03458	1.3
315.05136	1.0
337.03519	1.0
352.05930	1.0
367.08191	3.3
397.30038	0.8
399.10831	6.8
400.11035	1.0
422.58594	1.0
443.09015	1.8
443.14612	1.6
443.22723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01705	0.5
61.98823	1.6
69.89651	0.5
71.08282	0.5
71.08611	0.7
78.35567	0.5
89.32591	0.4
96.96005	0.5
109.37672	0.5
125.09682	0.5
126.15739	0.4
141.03487	0.5
157.02940	0.5
175.01863	0.4
185.02460	1.3
186.03169	1.2
197.02568	0.4
201.02003	0.8
209.11935	0.8
213.01878	2.2
214.02646	1.2
229.01414	1.2
230.02255	1.8
241.01424	2.9
242.02008	0.9
257.01102	0.6
269.00964	0.9
285.00488	1.0
286.01218	0.6
289.18149	3.6
301.03659	0.6
307.19119	4.4
314.00775	1.7
328.02332	1.1
329.02985	3.5
339.08844	1.6
343.04657	1.5
344.05334	1.0
411.07068	2.3
426.09567	8.3
427.10193	0.7
441.11890	14.1
441.37463	3.4
442.12387	1.6
442.37589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3734
Annotation	Cerin
Peak:m/z	Relative Intensity
50.36932	0.2
56.53646	0.2
70.75562	0.6
77.67162	0.2
156.27205	0.2
175.12619	0.2
194.74864	0.2
252.63469	0.2
256.23019	0.2
441.37335	100.0
442.37686	13.5
442.44006	0.4
454.60248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98829	100.0
64.93349	0.4
69.40960	0.8
69.41368	2.3
71.01408	0.4
81.37871	0.4
85.02976	0.3
87.00887	0.9
93.03474	0.9
94.03819	0.3
98.20709	0.6
98.76207	0.3
125.40602	0.4
149.06104	0.4
173.04570	0.9
177.05765	0.4
193.05066	0.4
221.04599	0.6
223.07605	0.5
282.21530	0.4
442.14075	0.4
443.06506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01371	0.4
59.01382	1.3
61.98829	100.0
69.16835	2.0
69.17258	1.8
71.01388	0.6
78.85419	0.4
85.02946	0.7
87.00890	0.8
89.02419	0.6
93.03460	0.7
96.68351	0.4
98.19868	0.8
111.03493	0.4
115.37118	0.5
117.15952	0.4
173.04539	1.1
191.05750	0.5
193.05122	0.5
267.06799	0.4
382.17245	0.4
443.06384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
61.98825	9.2
71.01377	2.2
73.02936	1.8
87.00875	2.4
93.03452	2.6
95.01378	1.8
98.19881	3.7
119.05064	1.8
123.00882	23.6
124.01662	21.3
125.02441	1.9
130.70462	1.2
131.04984	1.7
133.02911	1.1
138.03227	51.1
139.04025	19.7
145.02936	5.8
147.04471	5.3
153.05573	35.9
154.05818	1.6
158.03691	5.7
159.04517	65.7
160.01740	2.2
160.05132	3.9
161.02394	1.8
165.83272	1.1
172.05336	11.4
173.04659	2.2
173.06055	13.0
175.03987	3.7
175.07594	4.6
185.02353	1.3
200.04758	2.4
201.05530	9.2
203.03481	1.8
217.05096	2.3
219.06573	2.4
228.04140	2.0
233.08180	6.1
233.11752	1.1
233.92947	1.1
241.08659	2.4
245.04614	3.6
253.08632	1.6
254.05716	1.1
255.06703	2.9
256.03708	2.2
259.06146	2.5
264.03973	1.4
265.04999	3.8
266.05801	1.4
268.03818	1.7
269.04498	3.2
269.08240	3.0
279.06601	2.0
280.07193	1.2
281.04620	2.2
281.08124	3.2
282.05304	5.4
283.06073	4.8
284.03464	2.0
284.06702	2.2
296.03372	1.3
296.06808	4.1
297.04391	2.5
297.07614	20.8
298.08179	3.5
299.09280	2.4
307.06201	2.6
309.04135	3.2
309.07990	1.4
311.05627	2.6
311.09207	7.9
312.09857	3.8
313.10861	12.0
325.07263	10.3
327.12372	71.3
328.12732	6.9
340.09552	2.3
351.04977	1.7
355.11859	17.5
356.11908	1.8
357.09723	15.4
366.07553	7.6
367.08298	1.9
381.09692	6.0
382.10538	1.5
384.08554	1.5
399.10834	100.0
400.11118	10.5
400.90610	1.2
409.68689	1.2
443.09909	24.7
443.15396	1.9
444.10342	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	443.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.1
61.98829	11.4
71.01426	1.8
71.01811	1.9
78.95876	0.9
87.00879	1.8
114.74133	1.3
148.01682	1.4
151.79744	1.1
163.00336	1.2
190.99869	6.4
199.04007	2.6
211.03810	1.1
215.03467	3.2
215.07161	1.2
227.03506	3.9
243.02974	3.8
244.03766	1.5
255.02881	2.9
256.03751	4.6
270.01654	1.3
271.02457	13.7
272.03290	1.5
299.01941	55.0
300.02701	55.7
301.03101	4.8
313.03604	1.4
314.04337	19.8
315.05078	63.0
316.05411	4.7
345.05988	1.4
346.06903	100.0
347.07162	7.0
399.10574	1.5
443.13718	1.9
443.29822	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	443.1345
Annotation	Rhinacanthin F
Peak:m/z	Relative Intensity
56.04210	0.6
59.01378	65.5
61.98823	5.6
65.00325	4.4
71.01380	2.9
72.99287	0.9
73.02931	1.3
74.72209	0.6
82.00639	0.7
87.04507	1.0
89.02420	1.1
95.01376	2.6
98.20737	1.9
99.00900	1.6
101.02445	1.3
101.83131	0.8
109.28407	0.7
110.00093	15.4
111.00880	2.9
113.02470	1.6
113.41096	0.8
119.60901	0.8
122.00069	0.7
123.00875	2.2
125.02406	1.0
125.99593	1.3
136.98836	6.4
137.02412	1.1
137.99591	3.3
139.00377	17.7
140.01164	6.3
141.01900	2.2
146.03716	1.2
152.01155	0.8
155.03497	8.5
158.82968	0.7
159.04495	3.3
161.04591	1.2
164.98260	6.5
165.99071	34.4
166.99847	19.5
168.00607	3.6
172.05269	1.8
173.06032	4.8
174.03186	1.5
174.06831	2.4
175.07648	1.6
180.00627	1.5
181.01421	12.0
181.98505	0.7
185.06081	1.8
187.07664	2.0
189.05463	0.7
192.00677	1.0
199.04045	1.5
199.07603	1.4
200.04759	10.4
201.05502	3.3
201.09218	1.4
203.06995	1.4
210.84801	0.7
211.07697	0.8
212.04733	1.2
213.05562	4.4
213.07304	0.8
214.06041	1.2
215.07132	3.8
215.99170	0.8
227.07144	2.1
228.07846	4.5
229.08694	19.6
230.08981	1.3
240.04138	1.1
251.07079	0.8
255.06596	10.1
256.06985	1.2
271.02417	1.1
281.08099	0.8
282.05768	0.8
295.06061	1.0
297.07581	1.3
299.01855	1.7
300.02753	0.8
312.02756	2.9
314.04413	1.1
323.05618	1.2
324.02762	7.7
325.03448	1.6
333.07895	0.9
339.05048	9.0
341.06577	6.6
342.07224	1.5
352.05856	1.5
353.06635	1.5
367.04520	2.1
368.08984	2.4
369.09616	0.9
378.07373	1.7
393.09601	1.7
396.08633	2.2
401.25540	2.2
411.10776	9.5
428.05582	1.3
428.11121	16.9
429.11215	2.4
443.13434	100.0
444.13739	10.8
449.76892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03439	3.6
58.00595	1.0
59.01377	41.8
61.98819	2.7
69.19151	0.8
69.19432	8.6
71.01380	27.1
72.99304	1.3
73.02940	9.5
75.00862	1.1
83.01371	5.5
85.02945	14.1
87.00872	4.2
89.02442	14.1
93.03455	2.5
95.01363	1.8
97.02985	1.3
99.00881	3.8
101.02435	29.7
111.00874	2.9
111.04480	1.7
113.02435	11.0
119.05015	1.8
122.03751	1.2
124.05329	1.0
125.02426	2.3
125.06062	1.3
129.01909	1.4
131.03488	8.7
134.03711	0.8
137.06078	1.1
139.07658	7.5
142.47261	0.8
143.03488	1.2
149.04543	2.1
149.06036	1.6
159.02994	1.2
161.04544	7.0
163.03986	1.6
168.08012	0.8
173.04527	2.6
187.11264	1.0
191.05626	2.1
191.72276	0.8
205.12267	1.0
233.06734	1.8
249.13405	27.9
250.13832	1.2
279.12277	5.3
320.25510	0.9
381.17612	100.0
382.18008	7.7
403.88916	0.9
405.05347	0.9
441.22412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01026	0.5
59.01378	100.0
60.01702	0.9
61.98837	1.4
65.31956	0.5
66.84470	0.5
70.76360	1.5
83.50325	0.4
85.91696	0.5
86.06635	0.5
88.18000	0.4
112.80578	0.5
121.06553	0.5
169.02969	1.2
177.09210	0.5
185.02448	2.2
186.03233	1.3
209.11768	1.0
213.01938	3.3
213.03766	0.6
214.02734	0.9
228.51527	0.5
229.01357	0.9
241.01396	4.4
257.00958	0.6
257.20499	0.5
269.00760	0.8
285.00574	0.9
289.18045	2.6
307.19055	4.0
328.02121	1.4
339.08618	4.0
383.07794	0.6
411.07242	2.9
426.09491	10.6
427.09750	1.3
441.11951	16.9
441.37363	2.7
442.12265	2.1
451.54022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18162	0.6
51.73727	0.6
55.01861	0.9
57.03443	8.5
59.01377	8.0
61.76967	0.6
67.01871	0.6
69.03470	1.1
70.71699	0.7
70.72032	1.5
71.01378	6.3
73.02954	1.9
75.00894	0.7
77.99628	0.7
83.01381	1.8
83.05020	2.0
85.02950	4.2
87.00857	1.1
89.02441	2.3
93.03439	1.5
94.04255	0.8
95.01399	1.3
95.05036	3.7
97.02956	5.8
97.06592	1.6
99.00883	0.7
101.02453	3.9
107.05030	3.7
108.02172	0.8
109.02953	5.6
109.06596	6.1
111.04518	5.1
113.02411	4.4
119.08666	2.2
119.77990	0.6
121.06584	5.7
122.03731	9.9
122.04551	1.1
123.04542	3.7
124.05292	15.2
125.02475	1.0
125.06107	5.8
131.03458	0.9
135.04532	2.9
135.08192	0.8
136.05257	1.2
137.06096	12.1
139.07643	100.0
140.08000	3.4
145.10210	0.8
147.08246	3.4
149.06133	3.3
151.03987	3.4
153.05544	1.3
161.04500	1.4
161.06027	1.0
161.09700	1.3
162.06927	0.9
163.07631	2.0
163.11272	1.4
168.07910	23.4
169.08690	8.5
171.08131	1.6
172.08943	0.6
173.04543	1.5
177.12843	1.1
180.07744	0.7
185.09775	0.7
187.07603	1.0
187.11288	18.8
188.11586	0.7
189.05515	1.9
189.09236	1.6
190.09898	3.1
201.09233	0.7
205.12326	31.1
206.12651	1.7
214.09933	1.5
217.12299	2.6
219.10168	0.7
229.12297	2.1
231.10225	2.9
235.13412	5.7
245.11853	0.9
249.11316	6.2
249.13477	2.4
255.10286	0.8
259.13376	0.9
261.11368	1.6
273.11334	4.7
279.12350	77.5
280.12692	5.1
291.12363	1.7
303.12375	7.3
321.13324	2.9
381.17746	9.2
382.18060	0.9
441.14322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12410	0.8
57.03432	2.3
58.09423	0.8
59.01377	90.4
60.99306	1.5
61.98816	2.5
67.01882	2.1
70.91424	1.3
70.91743	1.2
71.01359	3.5
71.05017	0.9
73.02910	1.0
81.03437	2.3
83.05011	2.9
85.02942	9.2
87.00854	6.6
88.98792	1.5
89.42999	0.9
93.03462	14.7
99.00876	1.9
99.04482	1.3
100.58250	1.0
101.02421	1.8
109.02988	1.7
111.04517	6.5
113.02456	1.5
117.03460	1.3
119.04956	1.4
126.30173	0.9
127.03992	2.7
137.02362	2.2
145.02875	2.5
147.04446	1.1
155.03503	8.1
160.01590	1.0
163.11272	1.2
173.04535	30.8
173.06009	1.8
174.04785	1.0
175.03984	1.5
177.90932	1.1
191.05605	100.0
192.05898	2.5
209.90622	0.9
216.07750	0.9
223.13380	94.9
224.13683	4.9
267.12323	14.8
267.15924	5.5
284.03159	1.3
354.15347	1.5
441.17520	40.2
442.12384	1.0
442.17789	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
57.93534	0.1
59.01375	1.9
60.99295	0.2
67.01877	0.6
69.03442	0.3
69.16132	0.9
69.16555	0.4
71.01378	0.8
73.02948	0.5
81.03458	0.2
83.05013	0.4
85.02946	8.0
87.00864	1.9
93.03456	4.7
93.32196	0.1
94.03790	0.2
99.00868	0.2
99.04509	0.4
99.40254	0.1
109.02982	0.7
111.04510	1.3
113.02466	0.2
127.04000	1.7
137.02440	0.3
149.06055	0.3
153.01929	0.1
155.03465	0.4
171.02962	0.4
173.04527	2.5
191.05595	100.0
192.05948	3.2
237.04034	0.2
323.28156	0.1
416.79272	0.1
441.04233	0.2
441.17578	6.3
442.17877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01374	7.4
60.99289	0.5
65.89417	0.2
67.01879	2.0
69.03453	1.6
71.01376	2.0
71.31041	0.6
73.02946	0.5
81.03454	0.7
83.05026	0.8
85.02948	8.7
87.00877	2.9
93.03455	12.3
94.03799	0.3
96.96049	0.3
97.02979	0.4
99.00870	0.8
101.02400	0.3
109.02945	1.0
111.00842	0.3
111.04514	2.6
113.02417	0.4
127.04010	2.1
137.02400	1.3
147.04527	0.3
155.03467	1.4
161.02463	0.3
168.42200	0.2
171.02971	0.7
173.04538	29.1
174.04913	1.0
181.93837	0.2
185.00922	0.9
191.05597	100.0
192.05911	2.7
223.13361	3.9
267.12344	1.4
267.16022	0.6
441.17590	15.9
442.17685	1.2
451.53018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18162	0.6
51.73727	0.6
55.01861	0.9
57.03443	8.5
59.01377	8.0
61.76967	0.6
67.01871	0.6
69.03470	1.1
70.71699	0.7
70.72032	1.5
71.01378	6.3
73.02954	1.9
75.00894	0.7
77.99628	0.7
83.01381	1.8
83.05020	2.0
85.02950	4.2
87.00857	1.1
89.02441	2.3
93.03439	1.5
94.04255	0.8
95.01399	1.3
95.05036	3.7
97.02956	5.8
97.06592	1.6
99.00883	0.7
101.02453	3.9
107.05030	3.7
108.02172	0.8
109.02953	5.6
109.06596	6.1
111.04518	5.1
113.02411	4.4
119.08666	2.2
119.77990	0.6
121.06584	5.7
122.03731	9.9
122.04551	1.1
123.04542	3.7
124.05292	15.2
125.02475	1.0
125.06107	5.8
131.03458	0.9
135.04532	2.9
135.08192	0.8
136.05257	1.2
137.06096	12.1
139.07643	100.0
140.08000	3.4
145.10210	0.8
147.08246	3.4
149.06133	3.3
151.03987	3.4
153.05544	1.3
161.04500	1.4
161.06027	1.0
161.09700	1.3
162.06927	0.9
163.07631	2.0
163.11272	1.4
168.07910	23.4
169.08690	8.5
171.08131	1.6
172.08943	0.6
173.04543	1.5
177.12843	1.1
180.07744	0.7
185.09775	0.7
187.07603	1.0
187.11288	18.8
188.11586	0.7
189.05515	1.9
189.09236	1.6
190.09898	3.1
201.09233	0.7
205.12326	31.1
206.12651	1.7
214.09933	1.5
217.12299	2.6
219.10168	0.7
229.12297	2.1
231.10225	2.9
235.13412	5.7
245.11853	0.9
249.11316	6.2
249.13477	2.4
255.10286	0.8
259.13376	0.9
261.11368	1.6
273.11334	4.7
279.12350	77.5
280.12692	5.1
291.12363	1.7
303.12375	7.3
321.13324	2.9
381.17746	9.2
382.18060	0.9
441.14322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.0
57.03450	11.7
59.01377	23.1
60.99294	1.6
61.98822	2.5
67.01884	5.0
69.03448	3.2
69.60119	3.0
69.60517	2.1
71.01385	16.2
72.99309	0.9
73.02954	5.3
81.03472	1.5
83.01390	2.4
83.05033	2.8
85.02961	8.5
87.00879	7.4
89.02448	7.7
93.03456	27.0
93.07128	1.2
95.01378	1.2
95.05013	3.3
97.02951	7.9
97.06606	1.8
99.00876	2.2
99.04512	1.2
101.02438	13.7
107.05023	3.6
109.02949	8.3
109.06585	6.9
111.04510	10.2
111.08170	1.0
113.02440	7.4
119.03530	1.3
119.05013	1.9
119.08646	2.5
121.06612	4.8
122.03732	9.9
123.04497	4.0
124.05321	14.5
125.02406	1.3
125.06107	8.1
131.03488	3.3
134.03754	7.3
135.04474	2.1
135.53339	1.0
137.02411	1.3
137.06082	11.3
137.09673	0.9
139.07648	100.0
140.07993	4.8
147.04561	1.3
147.08188	3.2
148.05276	1.7
149.04811	1.5
149.06030	9.8
151.03993	4.0
151.07698	1.1
153.05544	1.9
161.04573	2.2
163.07584	2.2
163.11205	1.1
168.07910	22.8
169.08704	8.4
171.08136	1.8
172.08846	1.3
173.04558	13.6
173.06006	1.6
175.03963	1.7
175.11311	2.3
177.09209	1.0
177.12712	1.3
185.09656	1.1
187.11284	21.2
189.05513	1.7
189.09201	2.0
190.09969	4.4
191.05650	3.4
193.04974	6.1
205.12331	31.8
206.12692	1.8
217.12306	2.0
229.12346	4.1
231.10255	3.7
235.13359	5.2
246.52615	0.9
249.11269	6.5
249.13528	7.7
250.79788	0.9
259.13354	1.7
261.11301	3.4
267.08810	1.7
273.11316	5.4
279.12372	84.3
280.12701	5.8
291.12280	1.4
295.67151	1.0
303.12384	8.2
313.85471	1.0
321.13361	3.3
381.17639	30.1
382.18057	3.1
390.67148	1.1
416.77829	1.0
441.13959	19.2
441.18893	1.9
442.14001	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	441.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98735	0.6
57.03430	1.2
58.45307	0.6
59.01377	14.8
60.99290	1.1
61.98819	2.0
67.01894	3.2
69.03452	3.9
71.01380	4.5
71.01715	0.6
71.54308	0.7
71.54661	0.7
72.85477	0.6
73.02940	1.8
81.03453	1.7
83.05012	2.3
85.02941	9.8
87.00876	5.8
87.04494	0.7
89.02429	0.6
93.03451	20.7
97.02950	0.9
99.00876	1.1
99.04516	8.9
101.02433	1.3
109.02965	1.4
111.04505	5.3
113.02467	1.2
114.46991	0.6
117.03453	1.8
119.05037	2.2
127.04002	2.8
134.03670	0.7
137.02466	3.3
145.02968	4.9
145.67540	0.6
147.04471	1.3
149.06075	2.1
155.03528	4.1
156.03726	0.7
159.55385	0.7
163.04016	0.8
165.95819	0.7
173.04538	54.5
174.04869	1.3
185.00909	2.7
185.56960	0.7
191.05605	100.0
192.05922	2.8
195.04405	0.7
202.58302	0.7
207.13963	0.9
219.13936	1.9
220.30135	0.7
223.13425	5.1
227.03514	2.1
231.13841	2.2
249.15021	3.0
255.02965	2.2
265.05066	0.8
267.12573	2.0
267.15985	23.1
268.16299	1.8
284.03302	3.0
330.75229	0.6
409.09116	0.7
409.14822	0.9
441.11835	1.1
441.16809	14.7
441.22546	1.9
442.12256	4.6
442.17920	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	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98831	0.7
69.67108	2.0
71.01373	1.1
73.02953	0.5
75.00837	0.4
83.05032	1.0
85.02965	0.4
87.00887	0.7
93.03427	3.8
96.95988	0.5
98.20647	0.6
111.04510	3.6
119.05016	2.0
129.01900	0.6
134.03737	88.6
135.04015	2.2
136.01683	2.2
137.02461	1.3
147.04523	1.6
148.05299	0.6
149.06073	59.4
150.06410	2.2
153.05566	1.5
155.03516	3.3
163.04106	0.6
164.92702	0.4
170.86499	0.4
173.04543	9.3
181.09396	0.4
191.05594	0.6
192.04285	4.9
193.05066	2.1
208.07326	1.2
208.61505	0.4
231.73820	0.6
237.70464	0.5
267.08713	100.0
268.09048	6.6
397.09503	0.4
441.13959	10.3
441.19632	0.8
442.14227	1.0
456.80286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.119
Annotation	Flaccidine
Peak:m/z	Relative Intensity
57.03440	3.0
59.01376	78.7
60.01708	2.7
61.98825	3.9
70.18906	3.3
70.19290	3.9
71.01380	5.2
75.00869	6.7
77.62566	2.1
83.05063	1.7
85.02952	6.3
87.00884	3.6
96.96003	2.2
97.06599	2.4
99.92584	2.4
113.02404	3.1
121.02951	2.7
123.44767	1.7
125.10992	2.0
127.52452	2.0
137.02397	2.0
147.04485	2.0
149.06073	1.9
157.98749	1.7
165.98981	2.0
173.04478	2.2
174.03252	3.4
190.99863	4.7
192.00629	3.9
197.06056	2.8
197.45724	1.7
211.04021	1.9
213.01955	2.4
214.02522	2.2
215.07149	3.4
234.89236	1.8
253.05003	2.5
264.04221	4.4
282.05756	1.9
285.04004	2.4
291.03015	2.3
298.04752	2.5
308.03223	4.1
309.04062	2.7
311.05814	2.4
313.03656	9.7
313.19006	1.7
314.03897	2.0
323.05646	5.6
325.03549	15.3
326.04260	17.5
327.04883	2.6
333.75403	1.9
339.05115	4.1
341.06580	13.8
349.95016	1.9
351.05191	4.3
353.03040	8.1
366.07272	4.2
367.04565	8.8
367.08405	4.6
369.06104	20.2
381.09753	3.3
383.07660	26.6
394.06876	4.0
395.03354	3.4
395.08197	8.6
397.09131	6.1
398.10031	6.8
409.09241	5.2
411.07159	6.4
413.12466	13.6
426.04764	3.5
426.10312	11.4
441.12317	100.0
442.12793	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	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01379	2.6
60.99319	0.4
61.98835	1.9
65.03963	0.5
67.01889	4.8
68.93709	0.2
69.03456	1.4
69.29852	2.2
71.01371	3.4
73.06924	0.2
81.03466	0.6
83.05033	0.7
85.02946	1.2
87.00878	1.3
93.03455	26.3
94.03792	0.6
101.02407	0.4
109.02936	1.0
110.58936	0.3
111.00874	1.1
111.04518	4.5
113.02455	0.7
119.74374	0.3
123.40948	0.3
127.03984	0.6
134.03743	17.6
135.04108	0.4
136.01678	0.5
137.02441	4.8
147.04515	0.4
149.06076	9.8
155.03500	4.7
173.04543	100.0
174.04866	2.5
177.01932	0.4
178.02789	0.4
192.04239	0.6
193.05067	2.3
203.03545	0.5
224.19037	0.3
228.13264	0.3
235.11766	0.3
239.42955	0.3
247.02470	0.3
261.01361	0.3
267.08722	11.1
268.09073	0.5
395.43414	0.3
419.28278	0.3
423.08453	0.3
441.13937	2.6
441.18869	0.8
442.14270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.98834	1.6
69.18856	1.4
69.19263	4.3
71.01378	1.6
72.99298	0.7
73.02955	0.6
74.84215	0.5
81.03447	1.0
83.05051	1.1
85.02944	1.2
91.17279	0.5
93.03451	6.0
99.82232	0.6
111.04504	3.2
113.02393	0.7
119.04993	1.3
127.03944	0.6
129.01927	0.7
134.03740	99.4
135.04059	3.9
137.02423	1.9
139.04073	0.8
147.04555	1.1
149.06079	69.8
150.06404	2.7
155.03462	3.8
163.04037	1.1
173.04550	15.1
173.06041	0.8
178.02676	6.9
191.05502	0.8
192.04300	1.1
193.05052	38.1
194.05399	2.7
236.58102	0.6
267.08722	100.0
268.09140	6.0
379.77353	0.7
391.93304	0.7
441.13995	11.7
441.19156	1.0
442.13858	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	439.3577
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.83002	0.8
59.18641	0.9
61.98830	1.2
63.87580	0.8
71.44951	2.0
79.68242	1.0
87.88626	1.1
143.65355	0.9
145.48349	1.0
214.50502	1.0
240.97258	0.9
250.78656	1.0
439.35767	100.0
440.36029	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.5
59.01387	2.8
60.79037	0.6
61.98827	6.4
66.39874	0.5
67.01854	0.6
69.03429	0.9
71.01362	2.4
73.02929	0.9
79.05505	1.0
81.03433	0.7
83.05032	3.8
85.02928	1.8
85.56544	0.5
87.00866	2.2
93.03457	5.3
96.95977	0.6
97.06575	1.0
98.19887	1.9
101.02457	0.7
109.02957	0.8
111.04524	4.0
121.06566	1.3
127.03995	1.0
135.08113	1.0
137.02383	0.9
137.09714	1.9
155.03551	3.3
169.10159	2.6
172.52823	0.7
173.04539	14.4
174.04779	0.7
177.12828	0.9
181.12350	1.3
185.13339	5.5
187.11191	1.3
191.05574	5.7
203.14383	6.4
205.01352	1.2
221.15341	0.7
229.20576	0.7
241.14261	0.6
265.14420	100.0
266.14767	6.6
279.81024	0.6
439.13461	1.0
439.19791	19.1
440.19891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41690	0.3
55.56115	0.3
57.03440	7.3
58.03724	0.4
59.01370	1.9
61.98824	6.3
67.01861	0.6
69.03393	0.4
70.85818	0.3
71.01344	1.6
71.54275	0.4
73.02882	0.7
75.49722	0.3
79.05551	1.8
81.03432	0.9
83.05013	3.3
85.02910	1.3
87.00887	1.8
93.03440	5.1
94.03767	0.5
95.05012	0.4
97.06547	0.7
101.02425	0.6
109.02919	0.5
111.04528	3.2
113.02359	0.5
117.76455	0.3
119.08622	1.0
121.06548	1.3
127.03963	0.7
127.96843	0.4
129.01772	0.5
129.07097	0.5
137.02394	1.0
137.09647	1.5
147.08076	0.7
149.09671	0.4
151.11287	0.5
153.09167	0.4
155.03503	3.4
159.11781	0.4
161.02400	0.4
161.09639	0.4
163.11240	1.0
169.10164	1.9
173.04529	12.4
173.09497	0.4
173.13229	0.4
177.12862	1.3
181.12268	1.2
185.13335	6.0
187.11217	1.1
191.05637	3.4
193.05013	0.5
203.14395	7.0
205.01384	1.0
255.38383	0.4
257.04834	0.4
265.14401	100.0
266.14749	7.9
307.17523	0.5
376.16071	0.5
421.17282	0.5
439.19769	18.7
440.20233	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	439.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
59.01114	1.2
59.01384	16.2
59.51098	1.1
69.21278	11.0
71.01382	36.9
73.02947	15.6
74.35913	1.1
83.01381	4.5
85.02945	14.3
87.00865	1.2
89.02448	10.2
89.97786	1.0
95.01364	2.3
97.02950	1.5
98.20815	1.6
99.00886	7.5
101.02439	24.5
113.02451	17.1
119.03477	2.4
125.02425	1.5
129.01938	1.3
131.03503	1.1
131.92876	1.1
149.02423	2.9
149.04539	1.6
150.03258	5.8
159.02985	2.8
161.04552	16.9
165.01897	2.0
165.05540	3.9
180.04243	2.7
195.06619	9.4
213.24284	1.1
247.11864	19.4
253.63557	1.0
257.28638	1.2
379.16080	100.0
380.16473	6.2
391.14102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07573	0.1
67.02281	0.1
70.16019	0.4
70.16354	0.1
73.15693	0.1
78.95903	20.9
79.95737	1.8
96.96016	100.0
96.96948	43.9
97.95935	0.3
112.98797	0.2
145.01477	0.2
150.96344	0.1
213.89078	0.1
439.08292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64706	0.3
59.01372	0.5
61.98827	9.6
63.99257	0.3
70.70786	0.4
70.71120	0.7
71.01379	0.5
78.95902	38.5
79.95737	1.8
80.71210	0.3
89.02410	0.3
96.96001	100.0
96.96946	83.4
97.95979	0.5
98.19953	0.4
98.95602	0.4
99.00895	0.3
173.71527	0.3
190.51691	0.3
293.15491	0.3
439.08566	2.1
444.01819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
61.98827	9.8
69.98888	0.8
69.99281	0.7
72.61370	0.3
78.95900	40.6
79.95719	2.3
86.52062	0.4
96.96003	100.0
96.96949	88.9
97.95954	0.4
104.83132	0.3
119.56896	0.3
126.87434	0.3
270.53046	0.4
439.08585	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	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01793	0.3
69.80292	1.9
78.95902	30.1
79.95731	2.3
91.71346	0.3
96.96012	100.0
96.96960	64.7
128.10112	0.4
218.68588	0.3
220.31741	0.3
246.94060	0.3
318.10736	0.4
439.08521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33159	0.3
51.46208	0.3
53.87717	0.3
67.16731	0.3
71.00452	0.4
71.00777	0.5
78.95901	48.7
79.95744	1.5
96.96013	53.8
96.96959	100.0
107.44497	0.3
179.45030	0.3
217.03578	0.4
271.81360	0.4
284.79324	0.4
341.41751	0.3
439.08350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06940	0.6
56.86066	0.6
59.01106	1.1
59.01381	14.5
61.98819	2.3
69.03450	0.6
69.41250	4.8
71.01385	11.0
72.99306	0.7
73.02948	2.9
78.92685	0.7
83.01391	1.2
85.02941	4.4
87.00871	1.9
89.02447	4.6
93.03456	3.4
95.01363	1.1
96.96025	0.9
99.00868	1.7
101.02432	6.9
101.12076	0.6
111.00898	0.9
113.02451	4.1
119.03535	0.6
119.16396	0.7
121.02952	3.5
122.03744	6.4
123.04532	0.7
125.02459	1.6
131.03491	2.1
133.02943	1.0
136.01628	1.0
137.02454	3.7
149.02444	19.8
149.04507	1.2
150.03224	54.4
151.03810	2.1
159.02942	0.9
161.04533	3.3
164.04808	5.3
165.01918	28.3
165.05565	55.9
166.02385	1.4
166.05893	1.4
180.04268	26.1
181.04807	1.9
190.56190	0.6
195.06618	100.0
196.07018	4.6
225.07715	0.7
243.08791	4.6
247.11888	6.9
301.07205	2.3
301.10663	0.6
316.09415	2.5
331.11838	7.3
332.12213	1.1
364.67682	0.7
379.16064	26.8
380.16431	1.7
391.13974	16.1
392.14188	1.7
400.19150	0.6
439.16403	5.1
440.16632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17327	0.7
57.03416	0.9
59.01375	14.1
60.53416	0.8
61.98821	2.1
67.64122	0.7
71.01376	12.0
72.99307	1.1
73.02929	4.6
75.00864	1.2
83.01360	1.1
85.02945	5.4
87.00857	2.0
89.02439	6.2
93.03448	1.8
96.95995	1.6
99.00867	2.4
100.77343	0.8
101.02443	9.6
113.02460	5.1
121.02940	3.4
122.03764	7.5
125.02412	0.9
131.03468	2.5
133.02951	1.5
135.04524	0.9
137.02437	4.1
137.05991	0.8
142.41779	0.8
147.04512	0.8
149.02426	19.5
149.04362	0.8
150.03220	55.6
151.03632	2.6
160.62617	0.7
161.04558	5.2
161.05711	0.7
164.04810	6.4
165.01907	25.3
165.05556	59.3
166.02341	1.2
166.05911	3.7
166.98436	0.7
179.03423	0.9
180.04271	26.7
181.04802	2.3
185.74664	0.8
191.05614	1.2
195.06609	100.0
196.06915	5.5
215.33411	0.9
243.08751	3.9
247.11807	6.5
294.42389	0.8
301.07199	3.1
315.08475	0.9
315.57877	0.7
316.09406	1.6
331.11884	8.1
332.11984	1.0
379.16049	39.4
380.16364	2.8
391.13922	16.1
392.14340	1.8
439.16467	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	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00613	0.2
59.01376	2.2
60.99295	0.3
61.98829	2.2
65.03984	0.3
67.01887	3.6
69.03447	0.6
69.17999	2.0
71.01378	3.1
72.19958	0.2
73.02940	0.3
81.03448	0.9
81.47361	0.2
83.05015	0.8
85.02959	0.7
87.00857	1.0
93.03457	20.9
93.19640	0.2
94.03788	0.4
95.13541	0.2
97.02962	0.4
108.02180	0.3
108.05814	0.2
109.02970	1.1
109.06608	0.3
111.00842	0.7
111.04513	4.0
113.02378	0.4
113.06046	0.4
119.08630	0.4
121.06602	0.3
122.03739	0.4
123.08165	0.3
125.06063	0.7
125.88522	0.2
127.04001	0.2
136.05322	0.4
137.02432	3.2
137.06033	0.3
138.06842	0.8
139.07658	1.5
148.05310	0.3
149.06030	0.3
151.07635	3.2
152.04778	0.3
152.08406	1.4
153.09195	0.8
155.03499	3.4
157.83842	0.2
163.07538	0.3
173.04536	100.0
174.04880	2.9
179.81606	0.2
189.12891	0.3
191.05627	0.9
201.12862	2.1
203.10745	0.9
204.11534	3.5
205.11879	0.3
219.11736	0.2
219.13890	4.8
220.14197	0.4
226.86006	0.2
263.12857	8.2
264.13150	0.5
284.03030	0.2
308.04361	0.3
326.64230	0.2
437.18158	9.3
438.18698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.4
61.98827	100.0
69.68096	1.6
77.80909	0.3
78.95901	12.9
79.95736	0.8
89.02458	0.3
96.96019	28.5
96.96973	27.3
137.69362	0.3
310.63559	0.3
439.08560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20984	4.7
55.09763	4.3
59.13662	4.5
61.98537	7.2
61.98827	100.0
69.45405	4.4
73.91076	4.5
77.43363	4.6
77.49814	5.3
82.38588	4.6
98.19835	9.5
152.99542	5.2
171.90382	5.2
206.24939	5.4
223.16014	5.2
229.02098	7.6
296.29428	5.2
406.04175	6.2
438.33105	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	436.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
59.01378	3.5
61.98830	60.2
63.69413	0.3
68.99824	0.9
69.03459	1.3
70.21807	1.6
71.01394	1.5
75.00875	0.8
75.07160	0.4
76.28797	0.4
81.03440	3.1
83.01394	2.0
85.02946	1.0
87.00877	1.1
89.02454	0.9
96.96011	0.4
99.00838	0.6
101.02415	0.9
107.82442	0.4
113.02463	0.6
125.02447	100.0
126.02763	2.7
149.06032	0.8
191.05659	0.7
218.53331	0.4
258.61063	0.4
437.16150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01373	6.3
60.01702	0.9
61.01802	1.1
61.98826	100.0
69.56562	2.1
71.01370	0.4
83.05056	0.3
85.02972	0.6
87.00870	1.5
93.03450	2.9
101.02451	0.5
102.05601	0.5
102.96117	0.3
111.04517	0.7
128.03551	1.5
145.02957	0.4
146.04626	1.3
153.09248	0.4
165.05573	0.4
173.04529	2.8
187.07632	0.6
191.05609	3.2
201.12814	0.4
202.06432	0.3
213.09525	0.3
219.13962	0.6
221.57582	0.3
248.13763	0.3
255.03159	0.3
263.12909	0.6
289.10934	0.4
418.15189	0.5
436.19022	0.4
436.30133	0.9
437.18250	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
67.01873	0.5
69.03451	3.6
69.16881	3.8
71.01359	1.3
71.04971	0.4
73.02922	0.4
83.05009	1.5
85.02932	1.3
87.00876	1.9
93.03004	0.4
93.03457	3.7
95.04986	0.5
95.44681	0.4
97.02926	0.8
98.19878	0.8
99.00864	1.0
101.02416	0.5
107.04997	0.5
109.02930	1.1
109.06580	0.7
111.04517	4.4
119.08641	0.9
121.06541	0.9
122.03716	0.9
123.04484	0.5
123.08159	0.7
125.06071	1.6
129.01939	0.8
131.54984	0.4
135.08151	0.8
136.05293	3.2
137.02397	0.9
137.09700	0.8
139.07613	1.2
148.05292	1.0
151.07632	2.7
152.08418	2.8
153.09221	0.8
155.03508	4.5
159.11716	0.5
161.09703	0.8
163.07593	1.3
165.04074	0.5
173.04538	10.2
173.06035	0.7
175.07516	0.4
185.00856	1.2
185.09682	1.4
186.10468	1.3
189.05534	0.5
189.09212	1.6
191.05582	0.7
201.12851	11.0
202.13062	0.8
203.10753	6.3
204.11539	30.3
205.11867	1.6
219.13882	27.9
220.14230	1.8
230.52365	0.6
235.79306	0.4
245.11826	0.9
255.05138	0.5
263.12857	100.0
264.13190	7.2
353.69278	0.4
437.18176	38.6
437.23267	1.7
438.18607	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	435.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01372	13.0
69.03442	1.3
69.68572	9.0
72.02164	3.8
76.02891	1.4
107.10807	1.3
129.01773	1.7
177.00522	1.5
238.66881	1.4
259.20621	5.1
261.22195	83.0
262.22433	7.5
285.21991	2.0
287.20242	6.8
303.23236	24.1
304.23648	2.4
305.21185	50.9
306.21478	6.0
331.19168	16.7
332.19894	1.5
345.20612	2.5
347.22232	100.0
348.22733	8.6
349.20148	39.0
350.20648	2.4
391.21243	48.0
392.21902	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25064	0.4
57.03452	1.1
58.00594	0.4
59.01377	100.0
60.01718	1.4
61.98837	1.1
62.18853	0.4
69.73122	2.2
71.01376	2.2
71.05047	0.5
72.99320	0.7
73.02961	2.0
75.11801	0.4
82.00488	0.4
83.01395	0.4
85.02954	2.7
87.00877	1.6
87.04483	0.4
87.60427	0.3
88.25561	0.3
89.02442	0.8
93.03465	0.7
96.96024	1.4
99.00913	0.4
99.04546	0.3
101.02452	1.6
108.19339	0.3
109.06642	0.4
111.04505	0.5
113.02455	0.9
119.03513	0.4
119.05038	0.6
121.02947	0.8
123.08156	1.2
134.27612	0.3
135.08168	0.4
137.02458	0.6
141.09215	0.9
145.03009	1.2
147.04456	0.5
149.06091	0.6
151.38675	0.4
153.09262	0.6
161.04556	0.7
163.04103	0.7
165.01936	0.9
173.04575	1.1
179.03448	0.6
180.04361	0.5
193.05046	0.6
195.06577	0.9
198.23297	0.4
224.21713	0.4
225.07684	0.6
227.03427	0.5
231.13797	0.6
255.03128	0.7
261.28601	0.4
274.15082	0.5
280.13083	1.1
284.03262	0.8
333.19269	2.7
375.20227	1.7
387.14587	0.5
387.28195	0.6
389.29303	0.6
411.64795	0.4
417.28586	1.5
435.11514	1.1
435.16934	0.9
435.29630	33.6
436.30002	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	435.2514
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
55.90916	0.2
57.56135	0.2
59.01397	0.4
61.98819	0.4
64.80910	0.2
70.11726	0.7
78.95901	50.2
95.05040	0.3
96.96014	0.6
96.96960	5.8
97.06587	2.0
114.73705	0.2
150.98026	2.1
152.99583	100.0
153.99933	1.2
163.11284	2.5
170.99278	0.3
171.00652	3.9
185.49152	0.2
259.16913	0.6
281.24826	1.0
324.03891	0.2
337.21515	0.3
392.29288	0.2
435.24622	9.1
436.25156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74190	0.5
59.01355	2.7
60.32100	0.4
61.98824	100.0
69.03439	0.7
69.40054	3.6
71.01390	0.8
73.02955	0.4
85.02964	0.7
89.02435	0.7
96.96013	2.1
97.02941	1.8
98.20644	0.9
101.02489	0.8
113.02514	0.4
125.02435	19.4
143.07176	0.5
191.05565	0.6
298.75003	0.4
329.08810	0.7
363.45416	0.5
391.09802	0.5
437.16138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.8
59.01378	100.0
60.01722	1.8
61.01822	1.6
61.98826	5.6
63.21687	1.2
69.03459	2.0
71.01381	23.2
71.53782	1.2
72.99297	1.8
73.02940	8.3
75.00893	1.7
83.01387	4.9
85.02959	12.8
87.00883	13.6
87.04475	1.2
89.02431	14.5
92.07218	1.4
93.03455	7.2
95.01355	1.6
96.96015	3.3
99.00894	2.2
101.02443	16.2
105.71317	1.4
109.02935	3.8
111.04509	1.8
113.02454	8.9
119.03477	5.7
119.05027	2.9
125.02434	3.2
131.07144	4.2
134.03720	1.5
135.00865	3.9
138.05606	1.5
143.03484	1.8
143.04660	1.5
145.02946	2.1
147.04510	1.8
148.12671	1.8
149.04553	1.4
149.06047	4.7
153.01965	2.1
159.04449	1.5
161.02281	1.3
161.04533	3.6
163.03993	1.9
164.04794	1.5
167.03476	4.9
171.10234	1.7
173.04637	6.7
173.05963	2.0
175.03992	2.1
181.05122	1.5
187.13344	4.7
190.32767	1.4
191.05583	5.9
193.05106	2.8
199.09709	2.2
219.66154	1.4
267.06735	1.4
269.13977	1.8
273.04279	1.4
273.07736	5.4
287.15015	1.6
331.17572	3.7
349.18506	15.0
357.13623	1.9
360.82227	1.6
369.10193	1.9
391.19513	6.7
435.13141	4.5
435.17883	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	434.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
61.42142	0.3
61.98827	100.0
71.54400	0.3
87.00873	4.0
96.96018	0.4
130.99846	0.7
147.04599	0.5
151.57584	0.3
189.05629	0.4
203.07220	0.4
292.30978	0.4
317.14087	0.4
368.08508	0.4
434.15381	1.3
435.15723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56516	0.5
54.15987	0.5
54.68414	0.5
55.37127	0.5
57.03441	0.9
59.01376	32.8
60.01711	2.2
61.01783	1.5
61.98814	2.3
63.02369	0.9
65.00324	1.0
68.99819	0.7
69.03441	0.6
71.01369	3.3
71.53979	0.6
72.99295	0.7
73.02940	1.7
75.32335	0.6
75.91166	0.6
83.01360	0.9
83.05042	0.7
85.02939	1.9
87.00856	2.8
87.73503	0.6
89.02440	1.7
91.01894	2.1
93.03457	1.2
96.95975	0.8
101.02425	1.2
107.01389	2.7
109.02944	0.9
109.50636	0.6
113.02445	1.9
115.07698	0.7
117.03456	1.8
119.05020	1.5
121.02957	0.7
123.00910	0.7
123.04488	0.9
125.02436	1.4
128.03598	1.2
129.03398	1.0
130.99814	0.7
133.02922	0.9
135.00890	9.1
137.02417	0.7
141.03412	1.4
145.02922	4.0
146.04581	0.9
147.00809	0.6
147.04483	1.4
148.01593	0.7
149.02444	3.5
149.04427	0.7
149.06073	1.0
150.06494	0.5
155.79399	0.5
157.02945	6.4
159.00839	0.8
159.04567	0.6
160.01611	0.7
161.02411	2.4
161.04562	0.7
162.04825	0.6
163.00360	100.0
164.00998	6.8
165.01901	2.8
168.04300	0.8
169.02939	0.7
171.10324	1.0
173.02409	2.6
173.04579	1.2
173.06149	0.6
174.03189	1.9
175.03969	1.2
176.01163	0.6
177.01933	8.0
181.04971	0.7
183.04567	1.0
185.02425	9.4
185.11937	0.7
186.03098	1.1
187.00345	0.7
187.04013	0.9
188.01189	0.8
189.01915	2.2
191.03473	1.1
197.62294	0.6
199.04068	0.7
201.01909	5.4
201.05478	0.7
202.02625	2.2
213.01895	6.0
214.02602	0.8
215.03445	0.8
215.07237	0.5
216.00636	0.7
217.01308	0.6
217.05028	2.3
218.02141	0.6
219.02843	0.9
227.03531	1.3
229.01416	12.0
230.02010	1.9
233.04465	1.8
235.02383	0.7
239.03331	1.1
240.00633	0.9
241.01384	0.8
245.04573	0.9
246.01648	2.0
255.02957	1.7
257.00864	8.4
258.01312	0.8
261.04050	7.9
262.04395	0.6
269.04623	0.9
271.02454	1.0
274.01233	0.7
281.00592	0.7
283.02365	1.2
284.03217	1.2
287.05594	0.8
289.03525	19.6
290.03961	1.7
297.03949	0.6
300.02899	0.8
303.18076	0.9
315.05075	1.9
327.01419	0.7
329.06720	1.7
331.04501	0.8
341.03043	1.5
373.05658	2.1
375.27655	1.6
378.19708	0.6
403.03076	5.8
404.03589	0.7
435.05658	28.8
435.18112	0.9
435.30310	3.3
436.06091	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	434.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75821	1.0
59.01380	16.9
61.98830	31.9
63.96242	14.1
69.03461	1.5
69.43681	6.8
71.01373	4.4
72.99306	1.0
73.02937	2.2
84.04543	1.9
85.02950	3.2
87.00874	11.3
87.04496	1.9
89.02440	2.3
93.03465	2.6
95.01392	1.5
96.97517	0.9
101.02482	2.0
107.05000	1.4
108.00410	2.3
108.02161	5.5
109.01183	14.1
109.02934	2.3
109.47955	0.9
110.91257	0.9
110.99103	4.1
111.19371	0.8
113.02441	2.8
116.92865	1.6
117.03371	0.9
121.00855	0.8
121.02953	9.1
122.03795	1.0
123.99860	1.0
125.00674	4.1
130.99835	1.5
135.04507	1.1
137.00650	3.9
138.98578	1.3
145.02911	1.3
146.03745	1.2
147.04471	1.1
149.06046	1.8
151.99373	39.1
152.00620	2.1
153.00166	34.4
154.00371	1.1
155.03569	1.0
162.02295	0.9
163.03955	1.2
173.04523	2.3
173.06006	1.6
184.14284	1.3
186.05591	2.9
189.00116	2.7
190.00450	2.3
191.05460	1.1
193.05104	1.5
199.05833	4.4
203.01671	3.3
203.07141	1.1
204.02051	3.8
213.03700	1.4
225.03699	1.1
227.10608	1.3
243.04831	100.0
244.05080	7.9
261.05951	5.4
271.09686	1.0
321.01697	1.0
371.24298	1.4
433.28070	3.5
434.15402	6.8
434.28271	2.5
435.10895	1.5
435.16318	5.4
435.23553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71684	5.5
58.00601	5.9
59.01381	99.2
61.98820	24.7
65.36488	5.3
69.47092	26.2
69.47501	11.0
71.01373	68.6
72.99291	8.4
73.02951	7.0
78.95909	11.7
81.15504	4.8
81.51228	6.6
83.01376	6.2
85.02937	13.7
87.00877	8.5
89.02432	100.0
96.95434	8.8
96.95995	53.5
96.96949	8.5
98.20644	6.7
101.02455	38.3
105.30839	5.3
113.02415	26.0
113.94228	5.2
114.93795	4.8
117.03449	9.5
119.03476	41.0
119.05013	10.5
125.02421	9.3
131.03554	7.5
144.06636	11.2
145.02946	39.2
147.04472	10.6
161.02431	42.0
161.04495	13.9
162.03233	46.2
163.03946	5.9
165.05542	12.5
177.05592	35.9
179.05624	37.0
180.04216	8.4
195.06598	18.0
235.02675	5.6
255.62459	5.1
329.30820	7.4
337.08932	10.2
357.11838	40.7
435.11279	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	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52699	0.4
57.33227	0.4
59.01376	100.0
59.20750	0.4
60.01714	0.9
60.75587	0.4
61.98809	0.4
64.62730	0.4
66.37804	0.4
70.11414	1.6
71.01372	2.7
73.02956	0.6
78.53651	0.4
85.02954	0.5
87.00859	2.5
89.02454	3.6
98.19943	0.4
101.02445	1.7
110.91977	0.4
113.02427	1.1
119.03522	1.6
121.02993	1.0
130.99860	0.9
132.49384	0.4
134.03717	0.5
143.03510	0.6
146.03716	0.8
147.04547	0.4
149.06036	0.9
161.04623	0.8
179.05611	1.4
179.07133	0.6
254.04309	0.9
433.11273	4.6
433.24332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53945	0.3
57.70737	0.3
59.01377	100.0
60.01701	1.0
61.98837	0.4
62.07964	0.4
62.90194	0.4
69.36874	1.9
69.37304	1.4
69.38673	0.4
71.01376	2.9
85.02942	0.6
87.00879	1.7
89.02435	5.1
101.02451	1.0
104.33706	0.4
107.72209	0.4
113.02465	1.3
114.19012	0.4
119.03529	1.2
121.02966	0.6
130.99857	0.5
143.03557	0.4
149.06071	0.5
151.39034	0.4
161.04631	0.4
163.04073	0.4
179.05630	1.0
179.07123	0.5
183.32671	0.4
269.25226	0.4
289.36453	0.4
433.11340	2.4
433.24387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85742	0.3
57.03455	0.3
59.01379	100.0
60.01710	1.4
61.98831	2.2
68.90759	0.4
71.01378	4.1
73.02944	0.5
83.01386	0.7
85.02951	1.0
87.00877	2.5
89.02433	4.6
93.03452	1.6
95.05009	0.4
101.02465	1.9
102.92659	0.4
107.01408	0.5
113.02443	1.9
118.14605	0.3
119.03492	1.2
119.05021	2.3
121.02956	4.9
123.04511	1.3
130.99840	0.7
134.03712	1.2
135.04552	0.4
136.01575	0.4
146.03723	1.3
147.00905	0.4
147.04445	2.1
149.06090	1.4
151.00357	3.1
161.04565	0.9
161.06085	1.0
163.03979	1.2
163.74176	0.3
164.01149	0.4
164.04800	1.1
165.01852	0.4
165.05553	1.0
173.04356	0.3
179.05583	1.7
179.07152	1.9
189.00185	2.7
191.03494	0.4
193.04901	0.4
202.42477	0.4
203.01770	0.4
207.06648	0.5
215.10562	0.3
217.01514	0.4
221.70354	0.4
254.04216	1.0
271.06088	7.1
272.06525	0.8
292.00473	0.5
304.36166	0.3
373.09042	1.0
373.22092	1.2
379.91833	0.3
391.23370	0.6
433.11240	11.5
433.23398	0.9
433.28067	2.2
434.11853	1.1
434.28296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.08408	0.2
62.10807	0.2
62.96418	0.2
70.03848	0.2
70.84229	0.5
70.84576	0.2
71.21799	0.2
72.42798	0.2
73.10411	0.2
77.44831	0.2
78.95900	52.1
85.79824	0.2
96.96957	6.1
148.93134	0.2
150.97971	1.6
152.99577	100.0
153.99959	1.4
171.00648	4.2
279.23264	1.1
280.99429	0.2
322.67188	0.2
433.23538	8.3
434.23972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.26129	0.2
61.81553	0.2
62.96392	0.3
65.85357	0.2
69.46537	0.2
71.08294	0.5
77.56191	0.2
78.95898	52.1
96.96954	6.2
126.81632	0.3
126.96619	0.2
140.86069	0.2
150.98003	1.9
152.99571	100.0
153.99896	1.4
170.99258	0.3
171.00629	4.0
244.13646	0.2
248.09019	0.2
279.23254	1.0
279.26004	0.2
433.23544	8.1
434.23996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.20126	0.3
56.73814	0.3
57.03448	0.3
59.01379	100.0
60.01716	0.9
61.98847	0.7
69.03493	0.3
71.01389	3.3
72.99321	0.3
73.02955	1.3
73.63053	0.3
75.00877	0.5
83.01406	0.4
84.66299	0.3
85.02962	1.3
85.11519	0.3
87.00890	1.3
87.04533	0.5
89.02435	2.7
93.03454	0.7
99.00906	0.3
101.02442	3.3
109.03039	0.4
113.02471	1.9
116.92889	1.5
119.02784	0.3
119.03484	1.8
133.02925	0.3
137.02513	0.3
143.03482	0.6
145.02921	0.3
147.04550	0.5
148.05440	0.3
149.06059	0.5
151.04059	0.3
157.77077	0.3
161.04631	1.5
173.04605	1.8
175.03992	0.5
179.05612	1.3
186.06882	0.3
189.00206	1.4
193.05023	0.4
203.01672	1.4
229.37350	0.5
262.31281	0.3
266.40402	0.3
271.09811	0.9
281.55032	0.3
313.07907	0.3
329.23441	0.4
347.24295	0.4
357.16983	0.3
373.22256	2.9
433.15363	2.1
433.28683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01374	35.7
60.05384	0.4
71.01370	3.0
71.54507	0.5
72.99321	0.5
73.02932	1.4
75.00873	1.0
83.05011	0.5
85.02946	1.2
87.00862	2.5
89.02437	5.4
91.03995	1.4
91.50053	0.4
93.03423	0.8
95.01404	0.6
101.02436	1.3
109.02934	0.8
113.02432	1.7
116.92856	2.1
117.47922	0.5
119.03479	0.8
131.03482	1.7
135.04538	0.4
139.11266	1.0
149.04558	15.3
149.05867	0.8
161.04550	0.7
165.12833	4.5
166.86012	0.4
173.04543	1.9
173.06007	0.7
175.02222	0.6
175.04068	0.5
183.13884	100.0
184.14206	5.3
185.06090	0.9
189.00179	3.0
193.05048	0.4
201.00157	0.6
201.05627	0.7
202.06467	0.4
203.01733	3.8
203.07135	0.9
209.11800	2.4
227.12849	5.1
242.06104	0.5
271.09766	1.2
301.16537	41.3
302.16879	3.0
329.13821	0.4
373.22357	1.2
433.15311	2.8
433.20731	4.6
433.28006	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11573	0.3
57.03431	0.4
59.01377	100.0
60.01713	1.4
61.01804	0.6
61.98529	0.7
61.98831	7.6
65.00349	0.4
71.01376	4.7
73.02948	1.4
79.09619	0.4
82.82430	0.4
83.05030	0.4
85.02959	2.2
87.00867	1.2
87.04513	0.5
89.02433	4.1
93.03454	0.8
95.01423	0.4
98.19870	1.0
99.00889	0.4
101.02441	3.1
113.02435	2.5
119.03530	1.1
121.02927	0.6
149.04594	0.5
149.06099	0.4
161.04587	1.3
163.04041	0.4
173.04555	0.6
177.01953	0.4
177.31216	0.4
179.05626	0.7
186.03082	0.5
187.07574	0.4
191.03513	0.4
193.05127	0.6
204.04880	0.8
206.32224	0.4
243.03043	0.8
248.03922	0.7
253.57109	0.4
255.03008	1.0
270.01569	1.9
271.02460	6.7
271.19205	0.4
272.03110	0.7
285.17273	0.7
300.02744	6.6
300.73444	0.4
301.03513	1.2
331.17755	1.1
373.18851	1.2
407.33203	0.4
433.07318	5.9
433.19849	0.5
433.24033	0.7
433.28333	1.9
434.08041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11573	0.3
57.03431	0.4
59.01377	100.0
60.01713	1.4
61.01804	0.6
61.98529	0.7
61.98831	7.6
65.00349	0.4
71.01376	4.7
73.02948	1.4
79.09619	0.4
82.82430	0.4
83.05030	0.4
85.02959	2.2
87.00867	1.2
87.04513	0.5
89.02433	4.1
93.03454	0.8
95.01423	0.4
98.19870	1.0
99.00889	0.4
101.02441	3.1
113.02435	2.5
119.03530	1.1
121.02927	0.6
149.04594	0.5
149.06099	0.4
161.04587	1.3
163.04041	0.4
173.04555	0.6
177.01953	0.4
177.31216	0.4
179.05626	0.7
186.03082	0.5
187.07574	0.4
191.03513	0.4
193.05127	0.6
204.04880	0.8
206.32224	0.4
243.03043	0.8
248.03922	0.7
253.57109	0.4
255.03008	1.0
270.01569	1.9
271.02460	6.7
271.19205	0.4
272.03110	0.7
285.17273	0.7
300.02744	6.6
300.73444	0.4
301.03513	1.2
331.17755	1.1
373.18851	1.2
407.33203	0.4
433.07318	5.9
433.19849	0.5
433.24033	0.7
433.28333	1.9
434.08041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98825	0.5
78.95901	68.9
93.45100	0.2
96.96023	0.2
96.96953	5.5
97.30933	0.2
112.42938	0.2
122.30944	0.2
147.47404	0.2
150.97993	1.8
152.99579	100.0
153.99911	1.5
171.00621	3.0
206.66217	0.2
210.16374	0.3
279.23227	1.4
284.97571	0.2
303.74405	0.2
433.23560	15.0
434.23975	1.9
434.45828	0.2
454.22046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06894	1.4
57.03432	4.1
57.86021	1.7
58.00583	3.3
59.01377	97.8
61.98825	3.5
68.11028	1.5
69.03442	3.0
71.01379	41.5
71.53979	2.4
72.99315	2.3
73.02578	2.2
73.02929	10.6
75.00883	8.9
81.03491	2.6
83.01385	7.8
83.05014	2.4
85.02947	16.4
87.00877	19.0
89.02441	11.2
93.03466	14.3
95.01395	4.9
95.05006	2.1
96.96004	2.9
97.02937	7.5
97.06580	2.8
98.03715	1.6
99.00888	5.2
101.02443	20.3
103.45078	1.5
107.05045	2.9
109.02946	6.8
111.00888	1.7
111.04550	2.3
111.08180	2.4
113.02459	16.3
119.03521	3.2
119.05038	3.3
120.02207	2.1
121.02958	5.3
122.03734	2.0
123.04483	7.8
125.02464	7.6
125.06007	1.5
129.01942	2.9
130.99844	1.8
133.02948	6.4
134.03732	2.4
135.04535	5.3
137.02446	34.9
137.09718	3.9
139.03946	1.8
139.07678	7.6
139.11264	11.6
143.05020	3.0
147.04504	6.6
149.02446	7.9
149.06050	5.1
149.09679	13.0
151.04012	5.8
153.01907	7.3
157.06575	2.6
159.03014	3.4
159.04463	2.3
161.04561	15.3
161.05949	2.7
163.00380	3.3
163.03966	3.7
163.99750	1.8
164.01143	37.6
164.04764	7.2
165.01956	10.6
165.04025	2.8
165.05544	2.1
166.02667	2.0
167.05006	1.5
167.10770	72.2
168.11024	2.8
173.04608	8.1
177.01917	3.6
179.07094	7.5
180.05867	2.2
183.10251	1.8
185.06090	5.4
187.04007	1.6
187.07722	1.7
189.05518	1.8
191.03499	1.8
191.05576	5.1
193.05005	2.7
199.07835	2.1
203.07095	7.6
209.06076	4.4
211.04164	1.7
211.07718	3.6
211.09738	48.0
215.12801	1.7
219.02959	1.4
225.05603	4.0
227.03578	1.8
227.07147	4.5
228.04277	6.4
237.03824	1.7
243.06595	2.0
249.05911	1.6
253.05046	63.3
254.05318	5.7
255.06677	3.7
256.03839	2.1
256.07446	1.6
259.11786	2.7
269.04517	2.2
270.05200	2.1
271.03091	2.5
271.06122	51.1
271.09244	3.2
272.06543	3.7
273.07660	22.2
274.07825	2.0
285.13577	2.4
301.10455	1.8
373.14990	100.0
374.15424	10.3
400.46603	1.6
404.15475	1.6
433.11551	24.6
433.16891	7.9
433.21411	3.4
434.11649	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03447	5.1
59.01377	52.6
61.98829	1.1
62.66884	0.5
68.99806	1.3
69.03454	6.0
69.15854	5.2
71.01379	16.5
71.05013	1.0
71.14127	0.4
72.99322	3.8
73.02543	0.5
73.02925	2.6
75.00871	14.8
78.80020	0.5
81.03432	0.9
83.01383	1.6
85.02949	16.5
86.03252	0.6
87.00875	6.1
89.02435	6.2
93.03462	1.9
95.01393	4.8
98.20617	0.9
99.00876	8.0
100.21487	0.5
101.02431	3.5
103.00375	1.3
107.05013	0.6
109.02917	1.3
111.00838	0.7
111.04500	0.6
111.08136	1.5
113.02445	18.0
113.06099	1.4
115.00366	1.8
117.01967	2.7
119.03481	0.9
119.05000	1.4
119.35105	0.5
121.02956	1.1
123.04537	0.9
123.08152	0.5
125.02449	0.8
126.53979	0.6
129.01947	1.3
139.11285	9.9
149.02423	1.0
149.06090	0.5
151.00285	0.6
161.04509	1.3
164.04768	1.2
173.04535	1.6
175.02509	2.0
179.05603	0.6
179.07079	1.1
183.10243	15.3
191.05525	1.1
193.05019	1.1
205.07184	0.7
207.90512	0.5
223.08218	0.6
229.18048	1.0
231.05074	2.1
249.06125	19.7
250.06479	0.8
267.07227	7.7
271.06122	1.0
308.87683	0.6
313.07135	1.9
373.14517	0.7
391.23407	1.4
415.16055	2.2
433.17078	100.0
434.17377	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	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
57.03438	3.2
59.01377	100.0
60.01720	1.7
61.98824	2.7
69.49630	7.3
70.57580	1.0
71.01376	45.7
72.99288	1.7
73.02937	13.7
75.00874	2.9
78.19766	1.0
79.56310	1.0
83.01374	4.8
85.02945	19.2
87.00881	3.5
89.02439	10.5
93.03452	1.2
95.01388	4.0
96.95979	1.0
97.02975	1.4
99.00886	6.7
101.02439	25.2
109.02947	1.8
113.02442	20.2
119.03488	4.0
125.02454	1.6
131.44400	1.0
135.08145	1.2
137.09695	1.0
143.03473	2.8
159.02965	4.3
161.04543	40.7
162.04895	1.8
170.06685	0.9
173.04533	3.1
176.01242	1.2
179.05576	3.3
181.08702	23.2
191.05592	3.2
193.08694	1.0
205.03511	1.5
221.74178	1.1
271.05930	1.3
285.07806	1.6
285.13660	1.2
343.13943	2.7
373.14999	67.8
374.15237	5.7
374.58115	1.1
384.58307	1.0
417.13983	4.5
433.17252	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	433.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03451	0.2
59.01376	2.4
61.98828	0.3
63.02396	0.2
67.01895	0.2
67.66283	0.1
68.99825	0.8
69.03452	1.8
71.01382	1.6
71.20273	0.3
72.99316	0.2
73.02949	0.5
74.39368	0.1
75.00890	0.4
78.95905	0.2
79.24354	0.1
81.03455	4.7
82.00575	0.1
82.03806	0.2
83.01388	3.5
85.02962	1.2
87.00877	0.6
88.98815	0.1
89.02431	1.1
91.05537	0.3
93.03455	0.4
95.01398	0.2
96.96013	0.3
96.97002	0.2
97.02962	0.3
99.00848	0.3
101.02449	0.6
103.04002	0.3
109.02924	0.2
109.06583	0.2
111.00893	0.2
113.02436	1.0
119.03456	0.2
121.06572	0.3
123.00898	0.1
123.04514	0.3
124.01720	0.2
125.02446	100.0
126.02779	3.0
131.03470	0.2
137.02443	0.6
139.04024	0.4
149.02397	0.2
151.00351	0.2
153.01961	0.1
161.04536	0.3
163.03981	0.2
163.06166	0.3
165.05579	0.3
167.64571	0.1
173.04533	0.2
181.08638	0.3
191.05612	0.3
236.27573	0.1
246.12222	0.1
249.06154	0.7
258.22974	0.1
267.07220	1.6
268.07684	0.1
293.08817	0.1
297.64313	0.1
307.10306	0.1
313.07178	0.3
343.13937	0.2
373.15051	0.4
395.15897	0.2
397.17160	0.5
428.49255	0.1
433.14047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.8
59.01379	100.0
61.98825	9.2
71.01382	60.7
71.53130	4.9
72.99311	5.5
73.02937	14.3
75.00861	7.3
79.57442	3.9
82.95400	16.4
83.01378	7.9
85.02961	28.3
85.13149	3.8
87.00861	22.6
89.02431	27.7
89.16040	3.6
91.11595	3.5
93.03454	13.4
95.01366	5.3
96.96018	11.5
96.96963	6.3
99.00852	10.6
101.02431	37.5
107.05033	4.5
109.02943	5.7
113.02448	32.5
115.03993	4.6
117.09000	4.4
119.03526	6.3
119.83426	4.8
122.03690	4.2
123.04530	12.4
124.01635	5.6
125.02422	6.6
128.03531	3.7
137.02423	10.1
138.05615	18.7
139.04019	17.7
139.05975	9.2
151.03978	4.7
153.01915	15.2
161.04541	17.5
163.04066	8.1
164.01027	4.1
165.04161	4.6
165.05591	13.7
168.04309	5.0
169.04837	4.1
173.04509	8.9
181.05077	25.6
181.08717	12.4
190.02875	4.8
191.03497	16.4
191.05576	7.4
209.04442	4.6
249.06163	6.5
250.06520	11.2
253.04988	9.8
259.11917	8.1
267.07187	30.0
268.07523	35.4
271.06104	10.6
285.13437	9.0
313.07056	13.5
373.15103	21.4
397.07849	7.2
397.17136	69.3
398.17493	6.9
433.14896	55.5
434.10898	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	433.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84525	1.3
55.01865	5.8
57.03437	4.5
59.01377	100.0
61.98820	3.8
67.01917	1.5
69.03448	3.3
69.71428	1.5
70.10558	4.6
70.47042	1.6
71.01379	88.4
72.01715	2.5
72.99323	3.2
73.02943	24.7
75.00886	4.5
77.65253	1.7
78.95899	6.8
83.01393	10.5
85.02460	2.9
85.02952	34.0
87.00881	7.9
89.02444	24.8
93.03441	1.4
95.01373	5.8
96.95997	6.7
96.96967	9.5
97.02949	2.4
99.00886	13.5
101.01791	3.3
101.02440	51.4
107.01395	2.3
113.02447	36.6
115.60702	1.3
119.03490	2.2
119.26816	1.4
121.02923	2.3
121.52561	1.4
123.00865	4.3
123.50835	1.4
124.01642	10.2
124.03841	1.4
125.02460	24.1
131.03519	3.3
132.74556	1.4
134.03706	2.0
137.02477	2.3
137.09726	4.0
138.03198	5.6
139.04010	12.7
143.03484	5.9
144.06636	3.3
147.04559	2.2
149.02487	2.0
149.04561	4.1
149.06029	3.1
150.03154	1.8
151.00362	12.3
159.02998	6.5
161.04553	67.0
162.04926	3.2
163.04016	2.8
164.04771	2.0
165.05544	5.3
167.03497	2.2
169.01425	2.0
173.04558	2.6
179.05611	2.2
181.05077	5.8
181.08694	61.6
182.09047	3.6
190.02682	3.4
191.03412	4.5
191.05571	4.1
233.06619	5.4
235.02460	4.3
240.12312	1.6
259.11884	2.5
261.85226	1.9
293.08804	6.2
302.37195	1.6
313.07040	2.2
343.13879	3.8
364.14481	1.5
373.15009	84.6
374.15488	8.0
397.07697	3.1
400.10034	3.6
417.13962	4.1
433.09683	47.1
433.16843	5.6
434.12442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	Isosalipurposide
Peak:m/z	Relative Intensity
55.01882	1.4
57.03439	2.5
59.01377	34.0
60.01711	1.0
61.98828	2.4
67.01895	1.1
68.99821	1.5
69.03433	2.5
69.69919	2.7
69.70325	2.6
71.01385	12.5
72.99315	1.3
73.02943	2.2
75.00870	2.8
81.03439	2.1
83.01376	8.6
85.02933	4.7
87.00871	16.7
89.02440	5.6
93.03450	12.4
95.01376	2.7
95.05017	2.2
96.96017	0.9
97.02956	10.7
99.00887	1.3
101.02428	4.8
107.05044	1.5
108.02178	3.7
109.02937	7.8
111.00871	4.9
113.02434	3.7
113.77365	1.0
117.03439	2.0
119.01391	2.1
119.03515	2.6
119.04957	4.9
120.02160	3.1
121.02949	3.9
123.00922	2.0
123.04500	9.8
124.01672	2.2
125.02455	8.0
129.01944	4.4
133.02960	9.7
134.03670	1.1
135.04503	2.2
137.02437	57.0
138.02806	1.8
139.04027	2.4
143.05005	3.5
145.02957	1.3
146.03708	1.4
147.04514	4.6
149.02466	6.0
149.06087	2.0
151.00377	2.8
151.04015	4.2
153.01945	16.0
156.05830	1.4
157.06555	4.5
159.04543	2.9
161.04668	1.5
161.06067	3.4
163.00368	3.7
163.03969	1.5
164.01143	69.1
164.04788	1.8
165.01913	19.3
165.04077	2.8
167.05028	2.4
167.10793	1.2
169.06593	1.6
171.04530	1.6
173.04575	2.1
173.06042	1.3
177.01949	4.1
179.05711	1.1
179.07115	2.7
180.05814	3.2
181.06577	5.0
183.04584	2.1
183.08139	0.9
185.06030	10.8
186.06532	1.1
187.04042	1.6
187.07657	2.7
189.05554	3.1
191.03511	1.3
191.05690	1.1
193.05077	1.2
197.06071	1.5
199.07614	2.2
199.09962	1.0
201.05527	1.6
203.07120	12.7
205.08653	2.6
209.06046	9.2
210.03247	1.1
211.04089	3.1
211.07785	1.4
211.09682	1.2
212.04681	1.9
219.03098	1.1
224.04796	1.2
225.05569	6.3
227.03523	1.9
227.07108	7.8
228.04276	7.9
229.04921	2.1
229.08710	3.8
231.06670	1.3
239.07077	2.1
240.04285	1.2
241.05011	1.1
242.05792	1.1
243.06618	4.2
252.04138	1.1
253.05045	100.0
254.05342	9.1
255.06638	7.0
257.08212	3.6
269.04471	2.0
270.05298	2.9
271.06100	88.4
272.06516	8.0
273.07666	40.5
274.08038	2.9
325.07108	1.3
373.15033	2.0
433.11514	16.2
433.16922	3.1
434.11685	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	433.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.4
59.01379	100.0
60.01719	1.6
61.98831	50.6
68.99815	1.3
69.03451	1.9
69.45309	1.2
71.01378	26.3
71.54195	2.0
72.99309	5.7
73.02919	3.2
75.00470	1.5
75.00870	17.3
83.01356	1.4
83.05007	1.4
85.02945	21.8
87.00409	1.1
87.00879	10.7
87.94100	1.0
89.02444	8.9
90.77374	1.0
93.03470	2.3
95.01389	5.4
99.00878	10.5
101.02451	6.8
103.00364	1.2
109.02943	1.3
111.00835	1.3
113.02451	24.6
115.00325	1.4
117.01930	2.0
119.03477	2.6
119.05009	1.4
121.02912	2.0
121.10203	1.4
129.01913	1.9
134.03716	1.6
147.04446	1.3
149.02399	3.3
149.06033	3.5
161.04483	2.9
163.04071	1.0
164.04700	1.4
173.04521	1.4
175.02403	3.4
175.03833	1.0
179.05670	1.2
183.10268	9.5
186.71733	1.0
193.05067	2.7
194.05316	1.8
205.07103	2.4
227.12866	1.5
229.04951	2.4
249.06126	24.8
250.06467	1.5
267.07162	30.2
268.07526	1.3
271.06100	2.2
285.16876	3.2
313.07126	6.2
314.07394	1.4
343.08142	1.1
415.15912	2.0
433.11493	6.4
433.16953	95.3
434.17288	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	433.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.2
58.79148	0.4
59.01384	4.6
63.02414	0.5
65.00317	5.1
70.53229	0.9
70.53596	0.9
71.01371	2.8
75.00907	0.5
81.03452	1.6
83.01380	8.5
83.98633	0.4
85.02942	1.3
87.00881	1.0
87.35242	0.6
89.02466	0.7
96.95993	1.2
96.96959	0.5
101.02451	2.1
107.01390	11.1
113.02447	0.9
116.82972	0.5
124.01657	4.9
125.02439	66.4
126.02773	2.1
130.41139	0.5
136.03735	0.5
137.02519	0.4
149.02487	0.9
149.99535	1.0
151.00356	52.4
152.00687	2.1
161.04546	0.8
168.00592	6.0
169.01418	8.6
173.04593	0.4
175.00392	1.0
177.13040	0.5
181.08759	0.6
212.06836	0.5
230.53964	0.5
262.09207	0.4
325.06006	0.6
334.49704	0.5
343.14120	0.8
397.17004	0.7
415.08835	1.8
433.09793	100.0
434.10117	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
59.01376	16.5
61.12125	0.7
61.98815	0.8
65.00321	3.8
65.00615	0.7
68.99804	1.0
69.03439	1.0
71.01384	5.3
71.23551	1.4
71.81384	0.8
72.99302	0.7
73.02958	0.9
79.01861	1.6
81.03429	2.2
83.01381	3.6
85.02923	1.5
87.00871	3.8
89.02438	3.9
93.03448	6.7
95.01346	2.4
95.04951	0.9
97.02934	3.7
101.02410	2.8
105.03460	1.8
107.01362	5.1
109.02913	1.0
111.04552	0.8
112.92281	0.7
113.02428	1.3
117.03400	1.1
119.03587	1.5
119.05017	36.4
120.05344	1.7
121.02946	6.6
123.00858	1.8
123.04484	2.1
125.02453	13.4
133.02858	1.4
135.00877	0.9
135.04465	1.3
136.01648	1.3
137.02422	4.6
141.61827	0.8
143.04982	2.8
145.02905	2.7
147.04465	2.3
149.02409	6.9
149.06017	1.7
151.00356	11.2
161.04619	1.1
161.05954	1.0
163.00362	5.0
163.03978	1.7
164.01137	1.4
164.04765	4.3
165.01953	8.5
166.02354	0.8
167.03459	3.4
173.04483	1.0
175.03973	1.0
177.01892	2.6
179.03433	2.2
179.05725	0.9
179.07097	4.5
185.06079	2.0
187.03929	2.9
189.50391	0.7
191.03499	1.9
193.01405	27.2
193.05067	1.3
194.01639	0.9
199.07597	1.5
205.01349	1.7
207.02861	2.0
219.02940	2.5
223.02512	3.1
227.07150	1.7
229.05069	1.7
241.08789	1.1
241.37802	0.8
269.08090	1.9
271.06079	8.3
283.06253	1.8
313.07153	100.0
314.07544	8.1
325.07120	2.1
343.08188	24.2
344.08521	2.3
355.08090	1.1
373.09152	1.1
415.10446	2.4
433.11365	27.4
433.16467	1.4
433.24832	1.2
434.11816	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	432.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69443	0.2
56.19584	0.2
60.55492	0.2
61.16245	0.2
61.98828	100.0
69.56266	1.3
71.01407	0.3
81.68725	0.2
89.02460	0.2
96.96023	0.4
101.02527	0.2
108.38123	0.2
205.38353	0.2
432.19897	0.4
457.46268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	1.7
59.01379	50.0
60.01693	5.8
61.98826	100.0
71.53815	2.2
78.95916	2.8
81.79210	1.7
96.96004	1.4
116.92832	1.8
126.24894	1.4
145.02994	2.7
152.99541	2.7
280.64395	2.0
332.36569	1.6
336.41891	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	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
61.98827	100.0
71.53952	1.7
78.95900	9.1
83.19933	1.3
102.02652	1.3
109.28099	1.4
145.02963	1.8
146.19949	1.4
152.99571	8.5
178.15170	1.3
198.25356	1.3
281.27139	1.5
291.59174	1.2
337.21823	1.4
338.22055	5.3
371.21597	1.5
388.68475	1.3
392.27121	1.4
413.15131	1.5
432.22650	1.8
456.84546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03450	0.7
59.01378	100.0
60.01711	1.1
61.52856	0.3
70.28961	1.1
71.01382	7.6
71.05035	0.4
73.02948	2.8
83.01396	1.2
85.02950	3.8
87.00882	0.7
88.73319	0.3
89.02446	2.0
95.01408	0.5
96.81370	0.3
96.95999	0.5
98.54103	0.3
99.00871	0.9
101.02441	4.9
113.02449	3.9
119.03519	0.6
149.06065	0.4
155.10820	1.0
159.03041	0.7
161.04532	3.8
163.71007	0.3
179.05972	0.3
227.16481	2.3
239.03751	0.4
268.03732	7.7
269.04523	7.8
269.07260	0.5
270.04956	0.4
371.20868	1.2
389.21777	4.8
389.26547	0.3
390.22107	0.7
431.09833	3.9
432.10205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	0.9
71.01385	5.6
73.02956	1.2
83.01398	0.4
85.02970	1.1
86.02069	0.5
87.00874	0.7
89.02448	6.8
92.75526	0.4
99.31773	0.4
101.02441	3.4
107.63756	0.4
113.02438	2.6
119.03511	1.7
131.03506	0.5
143.03493	0.6
150.11032	0.4
161.04652	0.6
179.05684	1.1
269.04611	0.8
334.58945	0.4
371.20831	2.0
377.18378	0.5
389.21918	1.5
431.09897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03442	0.7
58.00573	0.6
59.01374	100.0
60.01704	1.4
61.98823	1.3
62.73911	0.3
67.01900	0.8
69.03452	1.0
69.32651	2.0
69.33068	0.6
71.01376	17.6
72.01717	0.5
72.99300	2.0
73.02940	13.5
74.03257	0.3
75.00861	3.5
80.96519	0.4
81.03454	0.8
83.01382	3.3
83.05017	0.6
85.02943	5.4
87.00867	4.4
89.02440	8.2
93.03448	4.0
95.01372	2.2
95.05065	0.5
96.96054	0.4
97.02949	0.6
98.20661	0.6
99.00874	2.6
99.04514	0.4
101.02435	14.3
107.05010	0.3
108.02157	0.6
109.02962	0.8
111.00913	0.8
111.04539	0.6
113.02446	9.2
115.00344	0.3
118.98099	0.3
119.03492	3.2
119.05013	0.7
121.02983	0.8
122.06219	0.3
123.00915	0.3
123.04526	2.7
123.08164	0.3
125.02503	0.8
125.06120	0.6
128.57710	0.3
129.01999	0.5
129.03458	0.3
130.99910	0.4
131.03519	1.3
134.03743	6.6
134.04736	0.5
135.02922	0.3
135.04526	0.6
137.02429	3.9
137.06067	0.6
139.04051	0.5
143.03513	1.1
145.03004	0.4
146.89143	0.3
147.04495	4.9
148.05334	1.8
149.04730	0.8
149.06064	16.6
150.06444	0.8
155.03490	0.5
161.04567	2.5
161.05954	0.5
163.04056	0.6
163.07611	0.4
165.04135	0.7
165.05499	0.4
167.03545	0.5
173.04555	4.2
174.03229	0.5
175.02524	0.5
175.03973	3.2
175.07582	0.4
178.02797	0.4
179.05614	0.8
181.03467	0.6
181.05034	8.8
181.06531	0.6
182.05560	0.5
187.03928	0.3
188.04823	0.4
191.05602	3.2
192.04356	0.6
193.05040	14.5
194.05426	0.6
208.11046	0.6
209.11859	1.3
219.02963	5.7
220.03365	0.5
227.07208	0.3
231.05066	0.7
236.51549	0.3
237.04129	0.6
241.05008	0.4
249.06122	6.9
249.08452	0.5
257.10403	0.7
267.06720	0.4
283.11987	0.4
283.15454	0.3
298.62759	0.3
299.09229	0.8
325.10959	0.6
329.07993	0.3
343.11926	0.8
369.09955	1.0
371.08267	0.3
387.10928	1.2
389.21957	1.0
413.08755	3.1
431.11081	7.0
432.11588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79221	0.2
52.07086	0.2
57.03434	0.4
59.01377	100.0
59.40246	0.2
60.01715	1.0
60.35135	0.2
61.01816	0.2
61.98833	1.3
64.89778	0.2
69.03470	0.2
69.59672	0.4
69.60077	0.9
71.01379	5.9
72.99309	0.4
73.02941	2.1
75.00875	0.5
83.01390	0.7
83.05016	0.2
85.02943	2.4
87.00873	1.0
89.02438	5.0
95.01399	0.7
96.32787	0.2
96.96017	0.8
97.02959	0.2
98.19887	0.3
99.00916	0.3
101.02444	4.8
113.02441	3.0
119.03487	2.4
121.02924	0.3
125.02489	0.2
129.01944	0.2
130.70726	0.2
134.03745	2.1
137.02454	0.3
143.03488	0.5
147.04514	1.0
148.05318	0.6
149.06071	5.3
150.06450	0.3
161.04529	1.3
165.04091	0.2
165.12791	0.2
175.04034	0.2
178.02826	0.2
179.05618	1.2
193.05055	4.9
194.05460	0.3
198.43581	0.2
209.15422	0.2
211.89639	0.2
219.03049	0.5
227.03488	0.3
227.16644	0.3
257.08209	0.8
267.07248	0.3
268.03687	0.4
269.04648	0.3
284.03326	0.5
287.18756	0.2
299.05609	0.7
299.09183	0.4
371.20840	0.9
387.10907	0.5
389.21805	3.8
389.26422	0.2
390.22147	0.4
413.09088	0.4
429.91379	0.3
431.09857	1.9
431.14969	0.3
431.23431	0.4
432.10233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55473	0.4
57.03441	0.6
59.01377	39.5
60.01712	2.6
61.98827	100.0
62.90710	0.5
65.00304	0.4
69.42979	2.9
71.01369	4.9
72.99300	0.7
73.02948	0.9
75.00877	2.1
83.59649	0.5
85.02962	3.9
87.00881	2.3
89.02441	2.4
93.03482	0.8
95.01401	0.8
98.19942	1.0
99.00895	1.2
101.02449	1.9
104.55279	0.4
109.91504	0.5
111.83688	0.4
113.02460	4.1
114.73634	0.4
117.01915	0.6
119.03516	1.0
134.03722	2.7
135.04100	1.2
137.02397	0.7
137.09537	0.5
147.04556	1.3
148.05008	0.5
149.02455	0.9
149.06088	5.7
150.06425	4.2
161.04510	1.2
169.49898	0.5
174.59134	0.4
177.52132	0.5
193.05049	4.6
194.05360	4.6
219.02985	0.6
234.89854	0.5
237.49825	0.5
249.06073	2.6
267.07211	3.6
268.38904	0.5
271.06064	0.7
282.80673	0.5
313.06964	0.7
328.47000	0.5
388.11499	0.9
432.10013	2.5
433.11526	0.9
433.16885	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
59.01377	100.0
60.01687	1.9
60.03792	1.0
61.98821	2.9
69.03451	1.7
71.01360	2.0
72.99299	1.1
73.02928	4.3
74.39790	1.0
85.02988	1.2
87.00874	2.4
88.98788	1.6
97.06583	2.0
101.02438	7.5
102.02799	1.2
103.02781	1.2
125.09698	8.7
134.38373	0.9
147.04469	2.2
159.04456	1.9
160.04948	1.2
165.12791	4.6
171.04497	1.2
171.07988	1.3
172.05228	5.6
173.05826	3.2
174.02966	1.1
174.05904	1.8
177.01855	1.0
183.13895	4.5
185.06009	2.4
186.06635	3.5
187.07753	5.5
187.09674	6.7
188.07838	3.6
189.08238	1.6
191.03473	1.8
196.05255	1.7
197.05760	2.3
198.06192	2.0
199.07520	4.1
200.04590	1.9
200.08127	4.8
200.57118	1.0
201.05475	1.0
201.09033	8.6
202.06004	1.4
202.09554	6.9
203.06801	1.8
203.09721	4.9
204.07207	1.6
209.11804	1.2
210.06850	1.1
211.07410	1.4
212.07436	1.1
214.06238	4.5
215.06944	6.8
215.10687	2.3
216.07187	4.7
216.11218	1.3
217.07578	3.0
217.11327	2.5
225.09058	3.3
226.09602	5.3
227.10008	4.4
227.12868	9.2
228.07846	1.6
229.08601	4.3
230.09047	5.5
231.09279	3.2
243.10226	11.2
244.10608	12.8
245.08226	2.4
245.10867	12.7
246.08424	3.8
246.11446	2.9
247.08678	4.0
257.21121	1.2
265.14459	1.3
289.09958	2.4
290.10623	1.8
293.13852	5.7
325.17209	1.6
387.17169	2.8
398.09024	3.7
416.10117	2.1
431.11227	2.8
431.16113	14.7
431.22910	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	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98816	0.3
62.96411	0.2
69.44232	1.4
75.00874	0.5
78.95901	70.0
88.87916	0.2
96.96958	5.1
98.20632	0.3
127.82642	0.2
150.98018	1.6
152.99579	100.0
153.99902	1.4
171.00616	2.5
277.21716	0.7
431.22009	14.3
432.22479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96394	0.2
71.30271	0.3
75.57467	0.2
78.95901	52.5
96.96958	6.2
96.97593	0.3
102.31460	0.2
105.58959	0.2
150.98019	2.1
152.99579	100.0
153.99939	1.2
171.00633	4.0
207.11633	0.2
277.21774	0.6
431.22006	7.8
432.22482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73560	0.1
55.01874	0.5
59.01377	100.0
60.01721	1.0
62.79701	0.1
69.55247	0.3
69.55659	0.6
71.01380	4.2
72.99310	0.2
73.02947	1.1
83.01382	0.5
85.02945	1.6
87.00874	0.3
89.02436	3.2
95.01402	0.4
97.02955	0.2
99.00883	0.4
101.02429	3.1
113.02445	2.1
119.03502	1.1
132.38950	0.1
136.30946	0.2
143.03514	0.2
146.38133	0.2
159.02982	0.2
161.04559	1.0
173.04622	0.2
179.05609	0.3
226.82463	0.1
227.16840	0.2
359.15411	0.2
371.20975	0.3
389.21817	4.7
390.22086	0.2
428.81003	0.2
431.22858	0.7
433.21091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.63319	0.4
57.03449	0.9
58.00592	0.5
59.01379	100.0
60.01722	0.7
61.98829	15.0
62.98555	0.4
67.01876	0.4
67.71537	0.4
69.38322	3.4
71.01379	6.7
73.02942	2.5
75.00903	1.1
83.01398	0.9
85.02940	2.0
87.00877	3.3
88.98811	0.7
89.02441	4.0
93.03481	1.3
95.01399	0.5
96.96030	1.1
97.02965	0.5
98.20685	0.7
99.00896	1.2
99.04555	1.1
101.02454	4.7
113.02454	2.0
115.04043	0.6
119.05000	0.4
121.02975	1.4
123.04527	6.5
125.02467	1.3
129.01941	2.8
131.03531	0.8
134.03772	0.8
137.02498	0.9
137.06174	0.4
143.03502	0.5
147.04625	0.4
149.02490	0.5
149.04564	1.1
149.06050	0.5
150.03241	0.7
151.03999	0.8
153.04007	0.5
155.03546	0.4
161.02455	3.5
161.04546	2.0
165.05583	0.8
167.03574	1.4
173.04555	2.4
176.04758	2.3
179.03502	4.8
179.07085	0.5
180.04138	0.5
181.03378	1.0
191.05685	1.4
191.07216	0.7
193.05064	0.9
194.05836	6.7
209.06195	1.0
209.08176	17.7
210.08615	1.0
212.04854	0.4
219.03088	0.7
233.06700	0.9
257.10391	0.9
269.10312	0.4
282.11404	0.5
293.09024	0.6
299.05847	0.4
299.11456	1.3
357.08405	0.7
387.08011	1.0
420.11920	0.5
431.06573	0.9
431.11697	2.8
431.16760	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19458	0.7
59.01376	69.4
61.98833	1.7
71.01379	8.5
73.02946	2.1
83.01391	1.0
85.02956	4.0
87.00880	1.5
89.02430	5.6
93.03445	0.8
95.01366	1.5
98.20653	2.0
101.02428	6.7
108.02171	1.6
109.02921	1.6
113.02434	3.9
119.03509	1.9
119.05011	0.7
121.02946	1.9
121.06560	0.8
122.03714	2.1
123.04543	1.3
131.03549	0.9
133.02840	0.9
134.03728	37.0
135.04100	1.4
137.02457	6.3
139.03989	2.8
147.04512	13.2
148.05289	10.1
149.06065	100.0
150.06424	3.8
154.42674	0.9
161.04536	3.0
161.05885	0.7
175.03993	1.5
178.02774	3.3
192.04277	3.8
193.05032	95.6
194.05327	4.8
219.02953	4.2
225.39491	0.9
236.03258	1.4
237.04047	1.6
257.08167	2.1
268.03751	1.4
268.75095	0.7
269.04446	1.5
284.03470	0.9
299.05612	0.9
299.08929	0.7
299.56464	0.7
309.67572	0.9
343.11932	1.3
369.09604	1.2
371.20529	0.9
387.10794	11.6
388.11371	0.8
389.21747	7.0
413.08643	3.3
431.09760	19.0
431.15216	1.5
431.23056	1.3
431.96048	0.8
432.10443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
54.59063	0.7
57.03449	1.2
59.01379	64.7
60.01704	0.9
61.98824	1.9
62.58344	0.8
69.17572	4.4
69.17973	2.4
71.01378	13.9
72.99313	1.0
73.02943	3.9
81.32825	0.7
83.01376	2.4
85.02951	6.1
87.00861	1.7
89.02442	5.0
95.01406	1.3
96.96017	14.0
99.00885	1.7
101.02448	11.5
103.05535	0.9
105.07097	0.8
108.02163	1.9
108.31335	0.7
109.02937	1.2
113.02448	6.5
115.04016	0.7
119.03511	2.2
119.05009	2.8
121.02971	1.7
121.06584	1.3
122.03728	1.8
123.04524	0.9
129.03456	3.0
130.04198	1.4
131.05017	2.1
133.03012	0.8
134.03740	45.0
134.97556	0.7
135.04080	0.7
137.02461	6.0
141.74356	0.8
145.02951	1.0
146.03732	2.4
147.04520	42.1
148.05373	7.2
149.06075	100.0
150.06406	4.5
151.00417	0.9
159.02887	0.9
161.04559	4.7
163.03917	1.2
166.02721	1.2
172.26788	0.7
173.04564	0.9
174.03191	2.5
175.03987	35.5
175.05516	1.8
176.04349	1.8
178.02687	2.0
179.05569	1.2
192.04263	1.3
193.05046	70.1
194.05325	3.5
209.08101	0.8
218.02242	1.1
219.02971	74.6
220.03331	3.3
237.04048	0.9
257.08264	0.9
332.52454	1.0
369.09888	1.9
371.20691	2.0
387.10898	4.4
389.21851	11.7
390.22504	1.0
413.08737	38.3
414.09146	5.6
431.09937	13.5
431.22968	2.2
432.10153	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	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71862	0.6
50.83568	0.7
59.01377	1.0
60.99306	12.9
70.93068	0.6
71.01398	0.7
71.52054	1.4
85.02946	0.9
87.00862	2.0
88.98802	100.0
89.02435	2.2
89.99142	1.3
93.03455	0.6
96.96013	2.8
123.04499	0.8
127.71999	0.6
144.58778	0.6
149.02463	0.6
171.74147	0.6
177.05475	1.0
178.50558	0.8
191.05638	0.9
207.36063	0.6
233.49551	0.6
278.08173	0.6
336.68390	0.6
341.10938	0.8
431.11642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12872	1.3
58.34804	1.2
59.01383	6.2
61.83001	1.1
61.98829	100.0
96.96040	2.6
99.92618	3.1
107.69790	1.1
117.03461	1.5
118.89992	2.1
134.89445	1.8
180.50601	1.2
181.90572	1.3
198.03162	2.0
214.02579	1.6
227.03061	1.7
243.02625	1.6
252.22545	1.4
257.16602	1.4
271.01950	3.3
283.06073	4.3
284.67606	1.4
298.00867	1.9
299.01465	4.3
311.05627	8.7
335.53580	1.4
341.06567	1.6
378.98785	1.4
383.74823	1.3
392.76367	1.3
394.14185	1.4
397.08780	24.3
398.08939	1.7
412.11023	4.7
415.09924	13.4
430.12152	35.4
431.09976	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	430.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82838	1.4
59.01376	7.5
61.98827	100.0
71.53880	2.4
96.96006	2.4
99.92603	3.4
118.89926	2.7
154.80345	1.8
167.53630	1.5
188.55313	1.6
193.05145	1.5
241.24564	1.6
311.05542	1.7
327.00745	1.4
359.38678	1.5
379.10080	1.5
394.14374	2.5
397.08850	1.5
430.11951	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	430.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70074	0.7
52.05027	0.8
57.03446	2.2
59.01377	43.8
60.01701	1.9
61.98827	27.0
67.01898	4.5
69.03420	1.5
70.07888	0.8
71.01382	10.2
71.53726	1.6
72.99294	0.9
73.02946	3.3
75.00860	1.7
83.01373	1.5
83.05059	1.1
85.02941	4.6
87.00858	5.1
89.02421	2.5
93.03451	23.2
94.03808	0.9
97.06577	0.9
97.27302	0.8
99.00897	2.1
101.02456	5.2
108.02173	4.1
109.02914	1.5
111.00878	2.1
111.04487	3.5
113.02440	3.6
117.03439	1.4
119.05023	1.0
123.04517	2.8
125.02396	0.9
127.67754	0.9
133.02960	0.9
134.03735	19.8
136.07587	0.9
137.02428	7.2
147.04491	3.0
148.05199	0.9
149.06058	13.6
155.03452	4.0
161.02438	1.3
163.03958	0.9
163.11293	1.6
173.04535	100.0
174.03223	1.6
174.04863	3.2
175.03963	3.9
175.07687	4.1
181.05042	3.9
190.02557	1.1
191.05583	4.1
193.03365	1.3
193.05023	20.9
194.05424	1.3
202.02937	1.0
217.08720	0.9
219.02872	4.5
219.06490	0.9
249.06084	2.6
256.06180	1.4
283.05981	1.6
299.09082	1.4
367.10272	26.9
368.10641	2.5
369.09845	1.4
387.10858	1.5
393.17401	1.2
395.38297	0.9
413.08691	4.9
430.17853	3.3
431.10184	6.6
431.15396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23690	0.3
59.01364	1.6
61.98828	100.0
63.31838	0.3
69.57970	2.3
71.01401	0.6
85.02950	0.5
85.47437	0.3
87.00867	1.3
93.03463	0.7
101.02471	0.4
122.02498	0.8
134.03691	0.4
137.02452	1.3
161.04678	0.4
191.05713	0.4
193.05098	0.6
223.07756	0.4
256.71063	0.4
263.50653	0.3
350.90518	0.4
372.67880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37027	0.4
57.03450	0.4
59.01379	100.0
60.01736	0.6
61.26466	0.3
61.98838	1.7
69.21023	0.4
69.48676	0.4
69.79791	2.1
82.09918	0.3
91.03999	2.6
96.95982	0.4
116.92871	0.4
127.13193	0.4
183.27927	0.4
195.13931	1.5
229.08757	0.6
239.54286	0.5
243.10394	1.0
277.21890	1.4
295.22763	12.9
296.23343	1.2
311.45230	0.4
377.35529	0.4
429.12030	0.7
429.30603	0.5
429.63748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	1.4
61.98833	1.2
70.08798	0.8
83.15864	0.3
91.04008	1.2
91.47910	0.4
93.13386	0.3
101.02447	0.4
116.92865	0.4
141.91801	0.4
215.07207	0.4
225.09236	0.4
229.08681	0.3
243.10236	0.6
245.08365	0.4
254.14299	0.4
277.21802	0.9
295.22754	9.7
295.25891	0.5
296.23016	0.8
384.91867	0.3
396.08621	0.4
429.30301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77892	0.4
55.01887	0.6
57.03451	0.9
59.01377	15.3
61.98830	100.0
71.01383	3.5
71.53268	0.5
72.99318	0.5
73.02944	1.3
75.00869	0.6
78.95927	0.7
83.01389	0.5
83.05032	0.6
85.02927	1.9
87.00876	3.5
89.02454	1.6
93.03485	1.6
96.96015	0.7
99.00893	0.6
99.04532	0.5
101.02474	1.1
108.02180	0.5
109.02991	0.6
113.02493	1.0
117.03490	1.7
121.03001	1.1
123.04538	1.6
123.08247	0.5
125.02446	0.8
129.01961	1.8
134.03745	17.8
135.04234	0.6
136.04074	0.5
137.02475	0.7
147.04547	0.5
149.06017	2.7
153.01956	0.4
153.09294	0.4
155.03526	0.7
161.02464	0.9
161.04561	0.5
165.05585	0.7
167.03590	0.4
173.04556	2.6
175.04037	0.4
176.04918	0.5
179.03438	1.0
191.05603	2.9
193.05052	22.3
194.03935	0.4
194.05466	2.1
202.05885	0.5
209.08250	2.2
244.01765	0.5
257.10321	1.0
267.07132	1.0
268.07574	0.8
278.30386	0.5
281.14017	0.7
282.14270	2.2
367.10272	6.9
368.10815	0.8
370.17020	0.5
387.08011	0.7
392.07449	0.5
413.05548	0.5
430.18164	1.3
431.11096	0.6
431.15900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45512	0.5
51.01270	0.4
57.03446	7.9
59.01376	100.0
60.01720	1.5
69.03462	0.8
71.01371	8.1
71.54406	0.5
72.99314	0.7
73.02953	3.5
73.50168	0.5
81.03440	0.9
85.02959	2.2
87.00882	1.8
89.02441	8.8
93.03475	1.2
96.96019	1.4
97.02973	0.5
99.04510	2.7
101.02441	9.0
109.06546	0.5
113.02443	3.8
119.03487	3.0
143.03506	1.0
145.02972	1.2
147.04564	0.6
161.04565	1.2
163.04002	1.4
172.05316	1.2
173.04544	2.3
175.04041	0.5
178.06412	0.9
179.05684	1.9
185.06053	0.6
186.06860	0.6
187.07637	0.7
199.07620	0.7
200.08272	0.7
201.09216	1.7
211.07735	1.2
211.09821	3.6
213.09224	0.8
215.07167	0.7
215.10924	0.8
225.09297	2.1
229.08653	0.8
229.12405	0.7
237.09303	0.5
238.09981	0.5
239.07108	0.8
239.10849	1.1
241.12434	1.6
243.10150	2.6
244.11041	0.8
245.08279	0.5
251.10741	0.7
253.12442	0.9
255.10289	0.6
255.16130	2.3
256.11111	1.4
257.11948	0.6
265.12393	0.8
267.14005	1.0
268.11121	1.4
269.11923	2.8
269.15488	0.8
279.13977	1.3
283.13544	0.9
285.11462	1.5
285.15051	1.4
294.12616	0.9
295.16861	0.6
297.11911	0.8
297.14740	3.4
298.15546	0.7
300.13467	3.2
305.15314	0.5
311.12967	1.7
312.13733	0.9
313.18170	1.1
323.16516	4.0
341.17529	5.8
342.17712	0.8
367.15778	1.4
369.19266	0.8
385.16522	11.3
386.16998	1.1
387.20541	1.4
429.15802	3.7
429.21469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80745	0.2
55.01865	0.4
57.03450	0.4
59.01377	100.0
60.01715	1.0
61.98829	4.2
62.17031	0.2
70.83490	0.5
70.83845	0.3
71.01383	7.1
72.41714	0.3
73.02948	2.8
76.46257	0.2
76.56158	0.3
78.95905	3.3
79.19866	0.2
83.01428	0.5
85.02937	1.9
87.00890	1.3
89.02447	4.3
95.01402	0.5
96.96030	0.5
96.96973	1.8
99.00875	0.4
101.02446	3.9
108.02264	0.3
113.02450	3.6
119.03496	1.5
121.03065	0.3
121.58038	0.2
123.08203	0.4
134.03673	0.3
135.04498	0.3
136.05313	0.7
143.03481	0.4
147.04541	0.7
148.05356	0.3
149.06108	0.9
155.92381	0.3
161.04559	1.3
163.11343	0.3
173.04547	0.6
179.05580	0.4
180.04262	0.5
191.05641	0.3
193.05067	0.4
196.24397	0.3
207.13889	0.4
225.15007	0.7
249.06195	0.3
255.15915	0.3
261.04083	0.3
282.39349	0.3
284.95734	0.3
290.96735	0.3
300.63156	0.3
313.98773	0.3
323.33011	0.3
369.19290	0.9
385.11398	0.4
387.20261	2.2
429.08444	0.6
429.21652	0.6
429.60587	0.6
430.09775	0.4
433.46506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53547	0.4
59.01378	100.0
60.01702	0.9
61.98825	1.4
67.66212	0.3
71.01383	4.0
73.02960	1.7
78.95874	0.6
83.01387	0.4
85.02956	1.4
87.00899	0.6
89.02448	2.9
98.20670	0.8
101.02438	2.7
104.23657	0.4
110.48035	0.4
113.02438	2.0
119.03528	1.2
143.03445	0.5
161.04570	1.2
189.12842	0.9
203.94038	0.4
207.10272	0.4
232.91226	0.4
387.20053	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
58.00595	1.2
59.01379	100.0
61.98834	1.4
65.03945	1.6
69.03448	1.8
69.52934	0.8
71.01382	26.0
71.50101	1.6
72.99310	1.4
73.02958	4.5
83.01389	2.0
83.05050	1.4
85.02946	4.5
87.00877	6.9
87.84798	1.0
89.02447	11.7
93.03465	3.1
95.01371	1.6
95.09438	0.9
96.96005	3.2
97.06581	7.7
97.37212	0.8
99.00827	1.1
101.02445	12.6
103.05554	0.8
105.68636	0.8
107.05031	10.7
109.02923	4.4
113.02442	10.1
119.03503	3.8
119.05006	7.1
120.05880	0.9
125.06064	1.3
131.59343	0.8
135.00847	2.8
135.04529	4.1
137.02473	1.4
145.02910	2.3
147.04526	1.3
149.05969	1.0
153.01933	13.7
159.04454	1.0
159.08121	0.9
160.05310	1.3
161.04547	2.9
161.09767	7.9
161.13368	2.5
163.03970	2.7
163.11310	1.5
173.04544	4.0
175.07437	1.0
185.06104	1.4
187.07660	1.8
187.11266	11.2
189.09187	3.4
196.05316	1.6
197.06068	3.5
199.07718	1.4
200.04723	1.1
201.09167	1.5
203.10757	2.1
205.12323	5.2
207.10249	2.6
210.06886	1.6
211.07616	3.9
212.08324	1.7
213.09158	1.5
215.07285	1.2
215.10799	6.6
222.06822	1.3
223.07593	2.0
223.13382	48.8
224.08401	1.1
224.13698	4.0
225.05609	2.7
225.09157	3.6
226.09802	1.3
227.07076	1.4
227.10712	1.4
228.07980	1.3
229.08627	2.5
229.12294	2.1
231.04733	3.9
231.10294	1.3
231.54994	1.1
235.07753	1.5
237.09015	2.1
239.07072	2.2
239.10767	2.0
240.11444	1.7
241.08757	2.3
241.12296	3.7
243.10233	5.9
244.10966	1.0
249.11293	4.7
250.09935	1.9
251.10777	5.3
253.12407	1.5
255.10201	1.9
257.08157	1.2
265.12286	2.2
267.12350	74.5
268.13028	4.5
269.08826	1.1
269.11801	8.2
269.15363	3.3
270.12213	1.1
272.14044	1.4
279.10254	1.7
279.13794	1.6
283.13388	3.5
284.03302	1.8
284.13940	1.8
285.11285	1.0
285.14474	1.1
291.12509	1.3
294.12756	1.3
295.16995	2.5
297.11487	1.6
297.14905	6.0
299.05508	1.6
300.13605	4.0
309.13522	1.6
311.12836	1.9
312.13562	2.2
313.10703	1.3
313.14395	2.2
313.18222	2.3
323.16507	7.0
341.17560	11.6
342.17908	1.1
356.12500	1.1
357.16986	2.5
367.15436	3.5
369.15341	1.3
385.16562	32.9
386.16940	4.4
387.20035	1.6
411.14621	1.1
429.16434	15.2
430.17282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.3
69.69951	0.3
69.70362	0.5
77.10249	0.1
82.24905	0.1
98.19902	0.3
99.00886	0.3
99.92577	5.2
100.92657	0.3
100.93353	4.0
101.93359	0.2
112.15477	0.1
113.92635	0.2
115.92072	100.0
116.92077	4.5
116.92860	5.7
117.92673	0.2
132.92361	1.1
142.94412	0.2
155.95239	0.2
164.62177	0.1
172.95454	5.3
173.95496	0.3
213.35555	0.2
243.10310	0.1
255.23251	0.6
355.15933	0.7
356.16058	0.2
371.15390	0.3
381.17221	0.9
411.18433	0.5
429.19492	5.9
430.19788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.0
58.01659	1.4
59.01357	1.4
69.03463	6.2
69.56521	11.0
71.01385	1.8
73.02959	5.5
78.33895	1.5
97.06590	4.5
101.02439	17.0
113.02442	5.5
122.01499	1.5
126.62531	1.4
143.05035	2.8
146.03761	4.6
147.04512	4.5
156.05785	2.5
158.03702	2.1
159.04523	15.4
169.06616	2.4
171.04489	7.1
171.08150	7.6
172.05284	45.2
173.02496	4.5
173.06047	14.7
174.03163	4.1
174.06844	4.9
175.03876	2.4
175.07608	6.7
185.06062	20.1
186.06821	19.3
187.03946	2.0
187.07640	33.2
188.08241	3.6
191.03542	10.8
195.04584	2.0
196.05247	7.0
197.06067	10.8
198.06607	1.9
199.03993	5.0
199.07631	24.2
199.11368	2.8
200.04842	12.7
200.08432	15.6
201.05530	7.4
201.09192	100.0
202.06334	15.5
202.09561	7.4
203.07004	6.5
209.05896	1.8
210.06830	7.6
211.07591	5.0
213.05519	6.2
214.06367	25.0
215.07115	40.1
215.10625	15.7
216.07428	3.8
216.11481	5.4
218.05714	2.8
223.07692	2.1
224.08517	2.7
225.09210	24.7
226.09958	13.7
227.10634	3.5
228.07912	8.9
229.08669	40.9
230.09300	3.3
231.06537	10.5
232.07455	2.8
243.10242	95.9
244.07458	4.2
244.10930	27.5
245.08148	55.1
245.10695	2.7
246.08582	4.1
259.09512	3.2
270.08838	2.6
287.09253	6.8
288.10049	13.0
289.10526	2.7
323.16528	5.2
385.16547	9.7
429.15540	50.9
430.15762	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	429.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56105	1.2
57.03444	2.2
68.49843	1.2
69.03444	2.5
70.46623	1.5
71.30784	1.8
101.02431	4.1
113.02445	4.1
146.03706	4.0
147.04480	4.2
158.03690	1.5
159.04504	20.9
161.06032	1.4
171.02113	1.4
171.04552	6.6
171.08180	3.4
172.05283	41.2
173.06041	11.2
174.03183	5.1
174.06792	3.5
175.03934	1.5
175.07623	5.7
185.06070	13.2
186.06865	16.9
187.03937	2.0
187.07634	36.7
188.08362	6.2
191.03456	6.6
196.05273	3.8
197.06033	17.2
198.03221	3.0
198.06714	1.9
199.04001	2.3
199.07530	8.8
200.04802	10.5
200.08362	10.0
201.05522	6.0
201.09193	100.0
202.06358	3.0
202.09521	5.6
203.03532	2.4
203.07109	5.6
211.07654	5.5
213.05534	3.0
214.02769	2.9
214.06358	7.3
214.09999	1.7
215.07130	43.4
215.10648	19.5
216.04262	2.0
216.07574	3.7
216.11491	12.1
218.05820	7.7
219.06645	2.7
225.09213	12.2
226.02747	2.1
226.09961	21.9
227.06895	1.7
227.10606	4.5
228.07852	2.3
229.08667	49.2
230.09081	5.1
231.06564	13.8
232.07329	6.9
233.07997	3.3
242.02147	2.5
242.09653	1.4
243.10234	51.2
244.07367	4.0
244.10959	22.9
245.08153	84.1
246.08508	7.7
258.08929	2.1
259.06064	2.1
259.09613	5.2
269.00876	2.4
270.01617	6.0
270.08902	4.5
287.09149	4.1
288.10028	16.8
298.01080	6.6
301.14523	1.3
316.46680	1.5
332.09027	11.7
385.16357	1.9
396.08447	26.9
397.08636	2.5
411.10663	6.6
414.09592	13.9
429.11218	33.4
429.16544	4.4
430.11578	2.6
430.16522	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.6
58.29250	1.2
69.03437	7.7
70.28413	3.0
70.28754	2.1
71.01350	1.3
73.02940	4.7
77.20802	1.3
97.06593	2.6
101.02433	14.1
101.98213	1.6
110.23410	1.6
113.02448	4.8
116.01065	1.7
142.46649	1.4
144.84486	1.5
146.03693	3.6
147.04504	3.7
156.05753	3.3
157.06538	1.6
158.03723	2.0
159.04507	17.8
169.06674	1.4
171.04520	6.8
171.08136	5.3
172.05283	40.2
173.02444	3.5
173.06079	11.8
174.03221	4.4
174.06801	4.9
175.07568	6.4
184.05211	1.9
185.06073	19.0
186.03212	1.4
186.06842	19.6
187.04013	3.4
187.07632	37.0
187.11197	1.7
188.08235	3.3
191.03529	8.5
195.04555	1.5
196.05293	8.8
197.06053	14.2
197.09641	1.5
198.06688	3.2
199.03986	5.0
199.07619	23.3
200.04753	10.9
200.08423	12.9
201.05455	5.8
201.09192	100.0
202.06306	13.5
202.09555	5.5
203.03508	2.0
203.07127	8.0
210.06883	4.1
211.07616	5.7
213.05524	4.3
214.06355	22.6
215.07118	50.7
215.10617	17.1
216.07468	2.2
216.11426	8.1
218.05846	3.1
223.07632	3.4
224.08391	2.8
225.09200	26.5
226.09943	16.0
227.10698	4.1
228.07855	5.2
229.08655	48.2
230.09042	4.2
231.06589	12.5
232.07356	4.2
233.08160	1.6
239.10669	2.2
241.08679	2.4
243.10228	95.7
244.07333	4.6
244.10986	25.5
245.08148	54.1
246.08521	3.7
252.15523	1.5
259.05850	2.0
259.09668	2.1
270.01654	2.3
270.08795	2.8
287.09140	3.5
288.10049	12.3
298.01312	1.7
323.16476	5.2
332.08893	2.4
343.00037	1.5
385.16708	7.6
386.17145	1.8
396.08514	3.5
414.09433	2.7
429.15802	38.6
430.15869	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	429.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61550	1.2
57.03434	1.7
58.02579	1.2
69.03457	3.4
71.02325	2.6
77.50029	1.3
101.02437	4.2
113.02451	3.9
119.04948	1.5
145.02908	2.1
146.03735	4.4
147.04526	3.6
148.82637	1.1
159.04520	16.2
161.02464	1.4
164.89647	1.2
171.04488	4.7
172.05287	40.3
173.06056	12.7
173.09839	1.4
174.03198	3.8
174.06757	2.1
175.03946	2.4
175.07625	4.9
185.04727	1.4
185.06081	14.7
186.03230	1.6
186.06873	14.6
186.08463	2.0
187.04037	2.1
187.07634	33.2
188.08345	3.9
189.05521	1.6
191.03545	6.9
196.05252	3.4
197.06091	16.8
198.03282	2.6
198.06827	1.7
199.03952	2.4
199.07574	8.0
200.04788	9.8
200.08408	11.5
201.05505	4.3
201.09195	100.0
202.06300	5.5
202.09489	5.4
203.03404	1.8
203.07076	5.0
211.07742	6.0
213.05551	2.2
214.02689	3.5
214.06339	8.9
215.07123	44.7
215.10654	15.2
216.04204	2.3
216.07614	4.2
216.11551	9.9
218.05861	6.6
219.06555	1.5
225.09207	10.2
226.09961	22.0
227.10617	5.1
228.07813	1.6
229.08673	47.7
230.09125	3.3
231.06642	15.4
232.07338	6.1
233.08115	3.0
242.02116	2.4
242.09422	2.0
243.10246	47.5
244.07550	6.7
244.10960	23.2
245.08165	84.7
246.08463	6.0
259.06036	1.9
259.09702	2.9
270.01730	4.6
270.08984	4.7
285.07739	1.5
287.09247	2.9
288.10031	11.5
298.01215	5.7
332.08987	10.6
332.13684	1.3
356.89996	1.3
385.16559	1.5
396.08466	17.0
397.09134	1.7
411.10858	4.4
414.09424	11.0
429.11224	24.3
429.16568	3.3
430.12125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86812	1.1
55.01877	1.8
55.08020	1.1
59.01379	32.3
61.98827	3.8
66.61124	1.1
68.55128	1.2
68.89845	1.1
69.20274	12.1
71.01380	24.1
73.02945	13.6
83.01400	4.1
85.02943	13.8
87.00874	2.9
88.51393	1.2
89.01965	1.7
89.02433	8.2
95.01392	1.4
97.02941	1.3
98.69792	1.1
99.00883	6.6
101.02435	30.3
111.00910	2.0
113.02441	11.2
115.04071	1.3
116.58069	1.1
119.03419	1.2
125.02409	1.8
128.25835	1.4
131.03506	5.6
143.03429	2.3
149.04440	1.7
159.03026	1.9
161.04536	10.4
164.04724	1.5
177.09885	1.3
223.06088	2.1
233.06656	1.5
235.11845	38.0
236.12216	2.2
292.75250	1.3
367.16043	100.0
368.16461	7.6
416.27994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03445	20.3
59.10254	1.7
59.67897	1.4
65.93279	1.5
69.03442	8.0
69.34488	1.5
69.38634	6.7
69.39053	5.9
73.02946	14.9
73.72153	1.6
97.06618	4.8
101.02438	35.7
113.02435	3.7
119.36608	1.9
143.05009	4.9
146.03726	5.1
156.05786	4.8
158.03705	2.3
159.04524	16.1
169.06477	3.9
171.04491	11.9
171.08104	9.3
172.05292	33.7
173.02420	3.0
173.06039	13.7
174.03207	4.8
174.06862	4.5
175.07620	8.4
181.06357	1.6
184.05377	1.9
185.06070	21.0
186.06842	21.8
187.03938	4.5
187.07651	30.4
188.08276	2.3
191.03474	9.3
196.05275	18.0
197.06018	11.2
197.09641	1.9
198.06714	2.5
199.03996	10.1
199.07628	31.6
199.11220	3.4
200.04764	11.5
200.08379	19.4
201.05536	7.3
201.09200	75.0
202.06340	18.7
202.09547	6.2
203.07062	5.8
208.05255	1.7
209.06015	2.8
210.06865	13.0
211.07524	6.5
211.20708	1.8
213.05579	4.5
214.06326	36.0
214.09833	2.8
215.07121	41.1
215.10628	15.5
216.07376	2.3
216.11475	5.0
223.07658	7.1
224.08405	5.3
225.05638	2.0
225.09190	48.4
226.09978	16.8
227.10683	6.0
228.07857	11.2
229.08684	30.2
230.09055	2.9
231.06583	6.4
239.10789	3.0
243.10237	100.0
244.07384	2.8
244.08321	2.5
244.10945	28.1
245.08153	38.2
246.08575	1.9
259.09470	1.7
270.08878	2.1
287.09317	5.7
288.10016	10.3
297.14896	2.2
323.16608	13.4
324.16922	2.6
341.17422	3.7
385.16531	17.5
396.08920	2.1
429.15582	57.5
430.15900	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	427.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29263	0.4
59.01377	7.4
61.98829	100.0
69.19016	2.9
69.19421	0.6
87.67281	0.4
106.15085	0.4
163.97876	0.4
206.51959	0.4
293.21393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	0.9
61.98825	19.0
71.53761	0.7
72.50324	0.5
79.79958	0.5
91.31821	0.5
96.96072	0.7
121.08456	0.4
137.53140	0.5
192.40053	0.5
222.81317	0.5
287.26123	0.5
293.21152	5.1
327.22632	0.5
431.70883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08351	0.5
59.01377	100.0
60.01712	0.9
60.50325	0.5
61.98820	4.0
63.09198	0.5
70.68413	1.1
71.25842	0.5
86.12418	0.5
104.29479	0.5
118.90064	0.7
160.84489	0.5
293.21274	6.5
406.85657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05340	0.3
59.01375	100.0
60.01714	1.0
61.87076	0.3
61.98830	0.5
65.83749	0.3
71.53691	0.5
91.04002	0.5
96.95999	0.9
171.10258	2.1
275.20117	4.5
293.21179	4.0
299.06454	0.4
311.22510	0.4
320.55890	0.4
352.09589	0.9
359.31058	0.3
367.11966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97719	0.5
59.01376	100.0
60.01708	1.2
66.98004	0.5
68.29206	0.5
71.08298	0.7
72.73497	0.5
91.04029	1.3
96.96021	0.8
136.21837	0.5
144.10704	0.5
171.10323	1.6
234.31039	0.6
275.20175	4.0
293.21234	6.4
332.02728	0.4
427.20163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22704	0.3
51.99160	0.3
59.01377	100.0
60.01702	0.6
61.98836	0.8
70.39217	0.8
70.39571	0.4
71.01386	2.2
73.02952	0.5
78.95918	0.3
85.02960	0.9
90.31383	0.3
96.96027	0.4
99.92699	0.3
101.02456	1.2
104.93512	0.3
110.34272	0.4
113.02487	0.8
113.43840	0.3
115.92107	0.7
116.92902	0.3
121.29861	0.3
125.02542	0.3
131.54884	0.4
161.04543	0.8
291.19681	1.9
309.20859	1.0
383.24426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01732	1.4
61.98839	1.0
71.01374	1.3
71.54208	0.9
79.63203	0.8
79.83302	0.8
96.96029	1.4
98.40841	0.6
98.86929	0.6
131.81682	0.7
157.80482	0.8
267.83023	0.7
281.01035	0.9
291.19803	3.8
309.20828	2.0
423.36301	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.0
57.03445	8.8
59.01384	4.6
61.98827	2.5
69.03455	1.5
71.01382	2.6
72.99304	1.3
75.00872	4.2
78.35329	0.7
81.03465	0.9
83.05032	1.1
85.02959	4.6
87.00869	2.2
89.02426	1.1
93.03457	1.2
95.05027	2.2
97.02948	5.4
97.06573	1.6
97.51114	0.7
101.02425	2.0
109.02966	4.1
109.06571	4.6
111.04515	3.2
114.45252	0.7
119.05013	1.3
119.08656	2.3
121.02940	1.7
121.06610	4.8
122.03703	7.7
123.04536	1.5
123.08167	1.2
124.05296	17.2
125.02412	1.1
125.06149	3.7
129.01959	1.5
135.04469	1.3
136.05263	0.8
137.06079	9.1
137.09676	0.8
139.07640	100.0
140.08008	3.7
147.02975	10.3
147.08173	4.1
148.05203	0.9
149.02460	7.6
149.06024	1.3
152.01143	1.2
161.02469	0.8
163.03999	2.3
163.07639	0.9
163.11305	1.6
164.04764	4.7
168.07909	19.7
169.08665	5.6
171.08113	1.4
173.04561	1.5
175.03935	1.2
175.11281	1.8
177.05540	2.5
177.12833	1.8
179.07146	2.9
187.11273	15.9
188.11508	1.3
189.09151	1.0
190.09985	2.8
191.05527	1.1
193.01381	3.2
193.04997	0.8
205.12312	30.2
206.12642	1.5
208.03754	6.5
209.08228	1.0
217.12294	1.6
223.06076	17.4
224.06519	1.3
235.13367	5.5
241.07347	0.9
249.11327	3.9
264.39673	0.8
279.12360	56.8
280.12659	4.9
409.14105	1.0
427.16064	58.9
428.16440	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	425.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98009	3.1
52.30574	3.2
59.01378	100.0
61.98827	17.5
71.01376	38.0
71.66493	3.5
72.00908	5.7
72.29060	3.7
72.94558	3.0
73.02933	11.2
75.00869	9.0
83.01386	4.8
85.02951	21.1
87.00871	10.8
89.02451	17.7
99.00864	4.9
100.00403	29.0
101.02450	25.7
111.00871	4.7
113.02434	16.8
119.03513	4.7
144.03046	29.3
145.38834	3.6
149.04517	3.7
159.02959	5.7
161.02380	4.6
161.04543	25.9
173.04465	3.9
174.01602	4.6
174.03070	3.7
203.12877	5.1
247.84937	3.4
251.12961	3.4
290.49741	4.3
293.08438	4.1
293.16138	6.0
305.11588	4.0
318.20175	3.7
365.18118	52.7
366.18631	4.5
425.10846	4.5
425.20300	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	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69901	0.7
55.01891	1.7
57.03441	2.7
59.01379	100.0
61.98837	5.4
69.40834	6.4
70.06956	0.8
71.01381	32.2
72.84284	0.8
72.99303	1.9
73.02946	11.2
75.00868	2.2
83.01389	5.1
85.02951	14.8
87.00882	3.4
87.04535	2.0
89.02441	10.9
95.01384	1.8
97.02966	0.8
97.06610	1.4
99.00884	5.3
101.02435	25.9
113.02448	13.7
119.03499	2.8
125.02473	1.4
127.08420	0.7
128.09583	0.8
129.01991	1.1
136.07703	1.4
143.03476	2.1
147.04555	1.2
159.03020	4.8
161.04544	31.2
162.04935	1.2
176.10670	1.0
179.05673	2.0
203.12814	7.2
225.74283	0.7
238.75984	0.8
245.04443	1.6
245.13185	0.8
261.12241	1.1
305.11404	1.2
331.84354	0.7
365.18137	53.1
366.18515	5.3
425.10800	1.4
425.15927	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.0
61.98821	10.6
63.98635	2.2
69.60017	15.2
71.01379	12.3
71.05021	21.4
73.02949	10.9
83.01400	3.0
85.02971	3.6
86.58663	2.2
87.00883	14.8
88.78553	2.0
93.03452	12.0
96.96011	3.1
99.00909	2.5
101.02456	11.3
105.03453	5.2
113.02448	4.7
121.02955	20.4
123.04504	2.7
125.02463	3.0
134.03728	23.9
137.02463	13.5
145.02925	4.3
158.91182	2.3
161.02394	26.9
175.03973	2.7
177.05499	4.2
177.09204	6.4
178.06384	4.6
189.01913	3.8
190.99779	3.3
219.02992	2.9
221.08174	100.0
222.08545	5.3
273.96515	2.3
407.16791	4.0
425.13229	9.0
426.13556	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1819
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.03436	3.0
59.01381	19.9
61.98814	8.5
69.03455	4.5
71.01389	12.9
78.95877	2.0
79.05529	2.1
79.95723	6.1
81.03444	2.6
83.01388	2.8
83.04977	1.8
85.02940	8.0
86.68022	1.7
87.00881	14.7
87.53574	1.9
88.01239	1.6
89.02428	4.0
93.03443	7.3
93.07117	2.8
95.01369	3.7
95.05035	2.5
97.02940	11.3
97.06602	2.6
98.19917	3.9
99.04513	2.2
101.02435	4.6
105.07078	3.4
107.05030	4.8
108.05793	5.4
109.02938	6.8
109.06572	3.2
111.00936	2.1
111.04541	11.5
111.08117	3.0
113.02454	8.7
113.06109	8.7
119.05031	15.5
121.02947	3.1
121.06564	1.8
122.03710	5.7
123.04482	3.0
123.08195	8.8
124.20227	2.0
125.06070	17.9
135.04546	2.1
136.05281	9.0
137.02415	3.4
137.06116	2.9
138.06897	10.6
139.00311	2.7
139.07651	26.9
147.04480	3.5
148.05299	5.7
149.06079	4.3
151.07649	63.9
152.04834	8.8
152.08444	23.6
153.05568	2.1
153.09218	11.5
161.02403	6.2
161.04573	3.6
161.09651	3.9
163.04045	12.1
163.07596	8.3
167.07121	4.7
173.04546	10.5
179.10670	1.7
186.10486	2.2
189.05600	4.8
189.09161	2.2
191.05542	6.2
201.12831	24.0
203.10727	8.4
204.11543	32.3
205.11960	2.8
219.13882	53.3
220.14221	4.0
243.13867	5.7
245.11844	14.7
251.12723	3.6
254.96251	2.7
263.12866	100.0
264.13208	5.2
287.12781	14.2
305.13879	6.3
337.06958	2.0
351.10736	2.4
378.97446	5.7
394.51379	2.0
398.43567	2.1
409.99332	6.6
425.01709	15.7
425.13412	4.5
425.18610	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	92.7
61.98820	38.0
67.24977	12.1
67.99686	11.8
69.44398	100.0
71.01369	49.7
73.02943	30.3
74.91824	12.5
85.02940	28.0
87.00885	54.0
89.02421	14.7
99.00875	14.0
101.02435	26.2
113.02496	13.9
127.03951	17.2
150.03145	18.0
159.06590	15.1
165.05540	31.2
173.04541	18.1
179.07047	13.4
255.05188	20.6
289.05072	19.2
375.14597	21.3
378.58163	18.9
423.18240	97.8
423.25958	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01717	1.2
55.01979	2.0
57.03231	1.2
57.03537	3.4
58.00669	0.7
59.01141	3.8
59.01475	17.3
68.21434	0.7
69.03531	0.7
71.01048	3.0
71.01492	20.8
71.98875	0.6
72.99042	0.9
72.99417	1.9
73.02612	1.5
73.03057	6.2
80.63634	0.6
83.01506	4.8
83.05150	5.6
85.02508	0.8
85.03065	10.3
87.00995	3.0
88.98911	0.8
89.02566	8.9
93.03584	4.5
94.15661	0.6
97.03077	1.0
97.06711	1.9
99.01003	3.1
101.01842	1.6
101.02567	19.1
111.01020	1.9
111.04531	3.9
113.02454	5.9
123.04664	0.7
125.02544	1.3
129.02043	1.4
131.03514	7.7
133.03018	1.3
134.03848	0.7
135.04553	0.8
137.02571	1.5
137.09799	2.1
143.03571	0.9
149.04544	3.2
155.03464	5.1
159.03082	1.2
161.04532	6.1
171.11887	2.0
173.04562	13.4
173.06033	1.1
174.04913	1.1
178.02744	0.6
179.03383	0.8
187.14961	4.3
191.05676	2.7
191.70877	0.8
205.15988	2.1
215.05521	0.7
231.13849	3.9
233.06633	2.2
249.14944	100.0
250.15277	8.5
254.93134	0.6
275.09323	1.0
291.18130	20.4
292.18427	1.5
406.97324	0.7
423.20270	44.2
424.20688	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	423.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01717	1.2
55.01979	2.0
57.03231	1.2
57.03537	3.4
58.00669	0.7
59.01141	3.8
59.01475	17.3
68.21434	0.7
69.03531	0.7
71.01048	3.0
71.01492	20.8
71.98875	0.6
72.99042	0.9
72.99417	1.9
73.02612	1.5
73.03057	6.2
80.63634	0.6
83.01506	4.8
83.05150	5.6
85.02508	0.8
85.03065	10.3
87.00995	3.0
88.98911	0.8
89.02566	8.9
93.03584	4.5
94.15661	0.6
97.03077	1.0
97.06711	1.9
99.01003	3.1
101.01842	1.6
101.02567	19.1
111.01020	1.9
111.04531	3.9
113.02454	5.9
123.04664	0.7
125.02544	1.3
129.02043	1.4
131.03514	7.7
133.03018	1.3
134.03848	0.7
135.04553	0.8
137.02571	1.5
137.09799	2.1
143.03571	0.9
149.04544	3.2
155.03464	5.1
159.03082	1.2
161.04532	6.1
171.11887	2.0
173.04562	13.4
173.06033	1.1
174.04913	1.1
178.02744	0.6
179.03383	0.8
187.14961	4.3
191.05676	2.7
191.70877	0.8
205.15988	2.1
215.05521	0.7
231.13849	3.9
233.06633	2.2
249.14944	100.0
250.15277	8.5
254.93134	0.6
275.09323	1.0
291.18130	20.4
292.18427	1.5
406.97324	0.7
423.20270	44.2
424.20688	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	424.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65791	1.0
55.95414	1.1
59.01378	83.2
61.98829	100.0
66.75876	1.1
67.02861	1.0
70.09393	2.6
70.09805	3.6
96.95992	1.2
115.58246	1.1
163.92931	1.2
204.16911	1.1
288.49918	1.2
363.01477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29996	0.3
59.01379	100.0
59.25690	0.2
60.01717	1.1
61.98830	31.6
66.40934	0.3
66.83220	0.2
70.43710	0.4
70.44066	0.7
71.01399	1.1
85.45439	0.2
165.96942	0.3
167.08069	0.2
169.08290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1452
Annotation	Bruceine H
Peak:m/z	Relative Intensity
50.20531	0.6
59.01374	6.2
60.49675	0.6
60.86007	0.5
61.98824	1.0
66.35406	0.5
67.01924	0.5
68.99837	0.7
69.03433	0.9
69.45762	2.7
69.46164	1.4
71.01370	1.9
72.99319	0.8
73.02938	1.0
75.00887	0.6
85.02930	1.7
85.42962	0.5
87.00874	31.4
88.01214	0.8
89.02431	0.9
93.03454	2.0
95.05028	0.9
97.06639	0.8
99.00864	0.9
106.50594	0.5
108.36469	0.6
113.02469	1.0
115.00355	1.7
121.02975	2.2
122.03721	4.5
123.04491	2.1
130.04233	1.7
130.99886	1.0
131.05020	1.3
133.01422	1.1
133.06558	0.7
134.03697	0.6
135.04517	2.1
136.05309	6.1
137.02466	0.9
143.04880	0.8
145.02943	1.4
146.03719	6.2
147.04489	2.3
148.05313	1.5
148.84430	0.6
149.02428	0.8
149.06044	0.8
150.03224	1.4
159.04462	1.6
161.02351	0.8
162.06882	1.9
163.03938	1.7
164.04771	2.3
165.05545	0.7
171.10234	6.1
172.05225	0.7
173.04561	2.2
174.03218	2.3
174.06842	1.2
175.03967	1.2
175.07539	0.9
187.07545	0.7
188.04771	4.5
190.06447	0.9
191.05545	1.2
192.04308	0.8
213.12875	1.8
216.04221	0.9
219.13872	1.6
221.11707	0.6
221.15424	2.3
229.12323	0.9
231.13919	0.7
239.10529	0.8
240.04263	0.6
241.12517	0.6
247.13376	35.4
248.13666	2.2
255.02919	1.1
257.11868	6.3
265.14478	2.4
268.03867	0.9
273.14944	7.4
274.15048	0.8
275.10010	1.3
275.12888	19.1
276.13162	2.1
283.02563	1.5
283.13205	1.4
284.03201	1.6
285.11404	1.0
289.14392	0.9
291.16104	1.1
293.13965	17.2
294.14230	1.1
298.04678	0.9
299.05457	2.7
299.12814	2.3
301.14526	3.2
303.12201	2.5
317.13766	3.8
319.15469	3.8
321.13382	2.3
327.12445	0.7
335.14941	2.2
345.13385	3.2
347.11371	1.3
350.04294	0.8
363.14380	2.0
365.12213	4.1
379.13928	1.0
381.06125	0.8
389.12311	2.8
407.13474	3.6
425.14474	100.0
426.14630	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03443	6.9
58.00599	1.4
59.01376	49.8
61.98829	2.5
68.99803	0.4
69.03448	2.2
71.01377	43.7
71.52780	0.5
72.01724	0.9
72.99300	2.4
73.02945	12.2
73.43200	0.4
75.00864	2.1
78.95899	12.7
81.03482	0.7
82.10345	0.4
83.01389	4.1
85.01188	0.4
85.02945	13.0
85.06593	0.7
87.00869	2.8
87.04529	0.5
89.02440	27.9
90.02795	0.5
90.47368	0.4
93.03453	0.5
95.01379	2.6
96.96032	6.8
96.96957	27.5
97.02946	3.3
97.06538	0.8
98.95561	0.5
99.00876	13.2
99.04526	1.3
101.02435	24.5
104.01649	0.5
109.06612	0.6
111.00867	0.9
111.04535	3.0
113.02446	12.6
115.04015	2.7
115.70823	0.4
115.92035	0.4
119.03487	3.4
119.04933	0.6
123.04482	0.5
125.02443	7.0
127.04005	0.5
129.00127	1.2
129.05574	67.1
130.05894	2.4
131.03525	4.5
137.02466	0.5
143.03519	2.0
149.04536	7.7
157.54591	0.5
159.02979	1.9
159.06627	0.7
161.04547	16.3
163.04037	0.5
165.05501	0.6
173.04457	0.7
179.05571	0.8
191.05591	4.1
201.11388	1.0
205.03516	0.4
215.51506	0.4
224.16556	0.5
233.06633	5.3
249.06039	0.6
255.04973	0.8
256.05258	0.8
267.07037	0.4
273.09906	0.4
291.10831	30.7
292.11166	2.4
293.08752	5.0
303.09979	0.5
357.96469	0.4
363.16638	1.1
408.98911	0.4
423.15012	100.0
424.15353	11.0
446.86392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47494	0.3
59.01383	0.7
70.99387	0.6
78.95900	48.3
79.95732	1.5
87.00876	0.4
96.96011	57.3
96.96957	100.0
97.97466	0.3
107.69814	0.4
110.98528	1.3
123.04484	0.5
196.16306	0.4
202.88556	0.4
255.05243	0.4
256.05521	0.9
329.61887	0.3
423.09213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21026	0.3
54.94690	0.4
59.01376	2.2
60.68482	0.4
61.98827	1.8
67.58428	0.4
71.01365	1.2
71.52460	0.4
78.95900	50.8
79.95734	1.4
80.91670	0.6
85.02966	0.6
85.98476	0.4
87.00910	0.6
89.02419	0.7
96.96006	68.6
96.96953	100.0
98.02503	0.7
99.00854	0.6
101.02502	0.7
106.58742	0.4
110.98535	0.7
111.00889	0.5
113.02402	0.6
122.00854	0.6
123.04525	0.5
147.04457	0.5
249.06226	0.5
256.05408	0.9
391.06641	0.5
393.19479	0.5
423.09821	0.8
423.15234	0.7
424.08017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1296
Annotation	Uncinoside B
Peak:m/z	Relative Intensity
56.97691	0.7
57.03438	1.3
59.01376	100.0
60.01695	0.9
61.98825	1.5
69.03457	1.3
71.01380	60.5
71.54919	0.9
72.01684	0.8
73.02940	4.8
80.78500	0.7
81.03474	1.1
83.01374	8.9
85.02951	6.4
87.00872	1.2
87.04506	2.1
89.02448	2.4
89.06073	3.3
95.01368	2.2
96.95989	1.2
97.02943	1.3
99.00875	1.5
101.02439	5.4
112.01654	1.3
113.02440	8.2
121.02950	22.4
125.02439	4.3
143.03482	1.2
161.04494	1.6
165.01912	1.3
233.10255	22.7
234.10556	1.8
237.07652	1.6
313.26389	0.8
351.37622	0.8
381.11938	9.0
404.52591	0.9
421.93491	1.0
423.12851	27.6
423.18207	1.6
424.13043	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30359	0.1
57.58883	0.1
57.61059	0.1
59.01371	0.2
59.72720	0.1
61.98815	0.1
62.96401	0.1
69.61250	0.3
71.01372	0.2
72.99316	0.1
73.02896	0.1
73.64758	0.1
75.00869	0.1
78.95901	30.3
79.95734	2.3
85.02953	0.2
87.00894	0.1
89.02406	0.1
93.03455	0.2
95.86452	0.1
96.96034	100.0
96.96918	57.5
97.95941	0.4
99.00919	0.1
100.94455	0.1
101.02454	0.1
104.56285	0.1
108.30762	0.1
110.09978	0.1
110.76863	0.1
111.04538	0.2
111.32050	0.0
113.02440	0.1
122.08549	0.1
137.02393	0.1
173.04617	0.1
249.06134	0.4
265.10492	0.1
267.07217	0.1
277.70178	0.1
281.59369	0.1
301.79041	0.1
423.11664	0.7
424.11606	0.1
430.39148	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34866	0.4
69.46172	0.4
69.67459	1.8
76.08411	0.4
78.95901	48.6
79.95757	1.1
89.48782	0.4
96.96011	49.0
96.96961	100.0
98.06880	0.4
112.98542	0.5
150.04553	0.4
237.70744	0.4
259.01337	0.4
291.03940	0.5
308.04443	0.4
423.08615	1.3
444.22601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56602	0.3
59.01355	0.4
68.84189	0.3
69.39246	2.7
78.95904	51.4
89.02408	0.4
89.55265	0.4
96.96033	22.3
96.96957	100.0
110.98520	3.5
111.00843	0.7
113.02355	0.4
191.05606	0.4
217.05267	0.6
252.41464	0.4
423.09198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	0.4
59.01378	7.1
61.98816	1.4
70.00056	1.8
70.06789	0.3
71.01376	3.1
72.99310	0.6
73.02946	1.0
81.59453	0.3
85.02937	1.7
87.00339	0.7
87.00871	13.0
89.02440	1.6
93.03454	0.6
95.02514	0.6
98.20052	0.5
99.00893	0.4
101.02428	1.4
109.02951	0.7
113.02454	0.9
115.00393	0.6
117.77674	0.4
118.14939	0.3
119.03522	0.6
121.02951	0.7
121.06596	0.6
122.03658	3.2
123.04525	47.2
124.04865	1.8
128.03574	1.8
131.05045	0.4
143.04611	1.7
147.04451	0.6
148.05289	0.4
149.02417	0.5
149.06071	12.2
150.03210	1.5
150.06438	0.8
151.03951	1.0
160.00711	0.5
161.04546	0.5
165.05576	10.7
166.02589	2.4
166.05910	0.4
173.04533	0.4
175.04004	1.4
177.06766	0.4
193.05054	9.8
195.02994	12.7
196.03314	0.6
201.11281	0.6
219.02974	1.9
237.04013	2.2
240.31099	0.5
254.07922	0.6
255.05090	100.0
256.05392	5.6
272.08862	0.7
288.06516	0.4
291.14505	1.1
306.07657	4.1
378.57825	0.5
422.08395	7.8
422.21091	0.4
423.09665	1.8
423.18799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59028	0.6
58.35525	0.6
77.94120	0.6
78.95868	0.7
80.91679	3.9
80.96514	1.1
96.96016	0.8
110.98516	1.0
152.99631	0.6
160.75061	0.7
163.11278	100.0
164.11620	4.6
177.82750	0.6
185.02155	0.9
339.23245	72.9
340.23621	10.0
421.22226	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	422.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98827	100.0
69.37659	0.6
69.38064	3.2
71.01385	1.3
87.00901	1.0
96.96033	1.0
119.05029	0.5
121.02965	0.8
147.04504	0.5
173.04811	0.4
173.06308	0.4
174.03278	1.8
233.10370	0.6
356.97443	0.5
359.11499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50107	0.3
59.01371	7.8
61.98822	1.3
66.00188	0.3
71.01383	4.6
71.17327	0.3
71.53931	0.6
72.99306	0.5
73.02925	0.8
74.02466	1.1
75.00883	0.4
81.09969	0.3
83.01384	0.6
85.02937	1.9
87.00870	13.8
88.01190	0.4
89.02452	1.7
93.03433	1.0
93.41756	0.3
95.02502	0.4
95.09169	0.3
96.96009	0.3
97.06573	0.5
99.00842	0.6
99.05661	0.5
101.02455	2.1
109.02911	0.6
113.02425	1.3
115.00387	0.5
121.02969	1.0
121.06600	0.4
122.03645	3.8
123.04514	51.5
124.04842	1.8
125.02432	0.4
128.03511	1.5
130.99887	0.6
137.02443	0.6
138.05634	0.5
143.04626	2.2
143.05594	0.4
146.04584	0.4
147.04475	0.8
149.06062	12.5
150.03204	2.2
150.06407	0.7
151.03967	1.2
160.00731	0.5
161.04567	0.9
165.05542	9.4
166.02557	2.8
166.05823	0.7
175.03952	1.0
179.04597	0.4
193.05029	9.5
194.03459	0.4
195.02962	14.1
196.03387	0.7
219.02911	0.8
237.04041	1.5
254.07846	0.6
255.05066	100.0
256.05438	6.7
272.08868	0.8
291.06345	0.7
291.14563	0.8
306.07602	4.7
347.92249	0.4
363.16251	0.5
404.14725	0.5
422.08261	6.4
423.09491	1.2
423.18634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	78.9
61.98832	49.1
69.22993	49.8
71.01369	24.1
71.05020	6.6
73.02936	7.5
74.54898	5.5
85.02919	12.0
87.00871	19.7
89.02424	10.7
96.96027	13.7
101.02404	7.4
106.53751	6.3
113.02506	6.3
115.00375	6.0
128.21552	5.3
146.08200	23.7
149.02420	11.0
157.08691	17.5
163.03882	5.9
164.04803	14.0
208.03783	11.4
223.06114	41.7
263.07516	7.8
277.12259	29.7
385.11450	9.3
386.11700	7.9
397.91010	6.0
403.11215	7.8
421.11316	8.8
421.16458	100.0
422.16846	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	421.1655
Annotation	Ugonin S
Peak:m/z	Relative Intensity
59.01390	1.6
59.44580	0.7
61.98813	1.4
64.46397	0.7
71.45657	0.8
78.95915	0.8
84.82986	0.6
95.05033	0.6
96.96003	1.9
102.27103	0.8
104.52314	0.7
153.04955	0.8
159.74710	0.8
188.01144	1.1
269.04504	1.0
297.04034	8.0
298.04837	1.6
298.96210	0.8
309.04056	6.6
309.07367	1.1
323.05588	2.2
330.03726	2.8
333.07361	1.2
335.09204	2.8
337.07172	5.8
344.69571	0.8
351.08746	1.8
352.09421	1.9
421.16534	100.0
422.16824	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	421.2262
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
58.15545	0.2
61.98817	0.5
65.45653	0.2
70.08196	1.0
72.84890	0.3
78.95895	4.3
79.95748	0.8
80.96515	100.0
81.96510	0.3
88.60158	0.2
96.96032	0.3
110.98530	6.2
148.05948	0.2
152.99583	0.7
185.02197	14.0
186.02435	0.3
197.27287	0.2
197.81436	0.2
210.63164	0.2
253.21704	4.3
339.19772	0.2
404.37796	0.2
421.22659	28.6
422.22998	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	419.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
58.00574	0.8
59.01377	5.1
59.05840	0.5
61.98829	3.6
65.00359	0.5
69.03447	1.3
70.95930	0.5
71.01387	4.1
71.05012	3.5
71.54338	0.6
72.99303	9.4
73.02922	1.8
75.00867	0.7
78.95885	0.6
85.02950	1.1
86.45917	0.5
87.00868	2.5
89.02456	0.6
93.03410	0.6
95.04992	1.0
97.06556	0.6
101.02423	0.9
113.02432	0.9
113.06095	1.0
114.69766	0.5
119.95556	0.5
121.02923	2.0
123.08096	1.0
125.09700	2.0
127.07658	0.6
127.11265	1.1
134.03688	1.1
134.39140	0.5
137.02428	0.7
137.06090	1.4
137.09659	0.6
139.11296	0.5
143.10770	1.4
147.04491	1.1
149.06097	0.5
149.09686	0.8
152.99513	0.6
155.10727	1.9
157.12317	0.9
165.12834	0.6
171.10289	2.9
173.04546	0.7
177.09122	0.8
183.13918	1.8
187.07607	0.7
193.04938	0.8
201.11311	4.4
221.08195	11.3
227.12901	1.1
311.22290	1.0
321.24338	1.1
323.12625	0.6
327.21628	1.4
327.25439	2.4
327.71387	0.6
329.23285	15.7
330.23581	1.6
337.23795	1.3
339.25372	9.9
340.25693	1.0
355.24887	10.3
356.25323	0.7
357.17081	1.1
357.26294	3.9
365.23172	1.0
375.18054	0.8
383.24326	4.5
401.25403	52.4
402.25778	5.0
419.26428	100.0
420.26743	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	419.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47461	0.3
57.03447	4.1
58.00580	0.3
59.01380	4.7
60.97776	0.3
61.98816	1.4
62.16518	0.3
71.01380	1.1
71.05015	1.2
72.99298	0.7
73.02960	0.7
78.95906	0.4
81.03443	1.2
85.02950	4.4
87.00878	1.4
87.04504	1.4
92.84660	0.3
93.03450	0.9
97.06596	1.2
99.04530	1.1
101.02465	0.5
101.06082	0.4
109.06577	0.8
109.92112	0.3
111.08133	0.7
113.09733	1.1
123.08142	2.6
125.09734	0.4
127.07703	0.4
127.11285	1.7
130.51312	0.3
135.02988	0.4
135.08136	1.0
137.02455	0.6
137.09705	0.8
138.06851	0.4
139.11295	0.5
139.54311	0.3
141.09218	1.0
143.10789	1.0
145.02924	0.4
147.04494	0.5
148.32297	0.3
149.06024	0.5
149.09685	0.4
153.09236	1.6
153.12860	0.4
155.10776	0.6
157.12346	0.6
165.12868	0.9
167.10753	0.5
169.12309	0.4
171.13893	3.1
173.04562	0.8
183.13890	3.5
187.13438	0.4
193.05070	0.4
199.13393	0.7
200.14214	0.7
201.14931	2.2
227.12918	1.8
229.14478	0.9
255.11392	0.3
277.21533	0.5
279.23386	0.3
287.18570	0.4
315.25375	1.2
335.47363	0.3
359.27951	0.9
369.58865	0.3
371.28192	1.4
373.29526	1.8
384.89261	0.3
401.24380	0.3
401.29150	4.9
402.29208	0.5
419.30136	100.0
420.30484	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	419.1192
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01869	1.1
57.03461	0.2
59.01376	2.6
59.58332	0.2
61.98814	0.2
63.02393	0.3
68.99812	0.9
69.03447	1.3
70.10561	0.7
70.10978	0.4
71.01376	3.7
73.02938	1.4
73.39783	0.2
81.03445	4.1
82.03862	0.2
83.01382	3.0
85.02950	1.1
87.00877	0.6
89.02436	2.1
97.02956	1.2
99.00864	3.9
101.02432	3.2
113.02425	1.6
125.02435	100.0
126.02760	3.0
131.03499	0.8
143.03389	0.5
149.04568	0.3
161.04521	1.9
191.05550	1.5
203.05559	0.4
233.06664	0.5
282.68750	0.2
287.07565	0.3
293.08704	1.3
316.19321	0.2
419.11887	13.6
420.12210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1195
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	0.9
58.00590	0.2
59.01375	4.8
61.48076	0.2
61.98812	0.2
63.02377	0.2
68.99818	0.6
69.03454	2.4
69.58578	1.1
71.01379	5.4
72.99306	0.2
73.02943	0.7
75.00897	0.2
79.01894	0.2
81.03458	5.7
83.01385	3.7
85.02956	0.7
87.00897	0.3
89.02443	9.0
94.53290	0.1
95.01382	0.2
97.02957	1.0
98.19930	0.3
99.00875	1.4
101.02455	1.3
111.00861	0.3
113.02437	0.6
115.04027	0.5
115.45042	0.1
117.01930	0.2
119.03487	0.3
123.04528	0.2
123.99000	0.1
125.02443	100.0
126.02779	2.8
127.03980	0.2
131.03487	1.3
139.60242	0.1
143.03514	0.4
149.04543	1.8
161.04530	0.3
191.05585	0.8
233.06621	3.9
293.08762	6.2
294.09061	0.5
373.22437	0.2
419.10889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01380	100.0
61.98818	9.3
71.01376	36.5
71.02197	4.5
73.02940	9.6
75.00872	3.8
83.01390	5.1
85.02940	22.1
87.00864	6.2
89.02441	18.4
91.55965	1.9
93.03443	4.1
95.01369	3.5
96.00919	2.4
96.95973	4.3
97.06580	2.4
99.00886	5.9
101.02436	35.2
111.00887	2.8
112.98806	2.5
113.02454	17.8
119.03474	5.4
121.02953	6.5
122.03716	8.2
123.04524	4.5
125.02459	7.8
128.03540	2.4
129.01862	3.1
136.01620	2.2
137.02408	3.0
137.06059	3.4
141.65196	2.2
144.22862	2.0
149.04573	2.8
149.06068	8.3
151.03903	2.8
153.99297	2.1
159.02998	4.5
161.02458	3.1
161.04526	15.8
163.03960	3.5
164.04866	3.2
173.04526	10.0
179.05659	2.5
179.07121	3.2
182.05838	14.5
191.05589	5.4
193.05099	3.4
197.08174	54.7
209.08197	3.0
243.07626	2.0
245.13988	3.5
259.71368	3.0
287.05634	2.7
323.07587	4.8
327.11014	4.2
359.13409	84.0
360.13879	5.0
383.10248	3.4
419.19577	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	419.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68638	0.4
53.33480	0.3
55.01876	1.2
57.03429	0.4
58.00600	0.5
59.01380	17.1
60.01707	0.3
61.98822	1.1
68.99807	0.9
69.03452	1.5
71.01381	11.4
71.35621	0.3
71.53928	0.5
71.64569	0.3
72.99313	0.7
73.02943	2.0
75.00855	0.6
76.05097	0.3
78.95936	0.3
81.03452	4.5
83.01391	4.6
85.02959	3.2
87.00868	0.6
89.02446	15.6
90.75330	0.3
93.03480	0.6
95.01382	0.6
96.96020	1.1
96.96953	0.5
97.02934	1.0
99.00883	3.4
101.02446	8.3
111.04581	0.5
113.02451	5.1
115.03980	0.6
119.03492	5.2
122.02477	0.6
123.04559	0.4
125.02446	100.0
126.02788	3.7
131.03523	1.1
143.03490	1.8
143.04486	0.4
149.02414	0.9
149.04544	0.7
161.04565	1.6
164.04793	4.3
173.04601	0.5
177.01891	0.7
179.05603	2.9
179.07144	5.9
179.08635	0.6
191.05644	1.2
233.06693	1.1
267.07175	0.3
270.61731	0.4
293.08847	2.0
306.07715	0.6
359.13605	1.6
371.48337	0.4
419.11823	10.6
420.12347	0.9
439.54236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.1
61.98828	100.0
65.33272	5.5
67.30690	5.8
67.76785	5.3
69.51964	6.5
71.01409	6.5
71.53815	6.7
87.00837	6.2
96.95992	6.4
116.27200	6.5
151.26291	5.7
186.99844	5.5
192.69989	6.5
329.48062	7.7
431.02878	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	419.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.5
59.16863	1.3
61.98534	1.8
61.98829	17.1
65.00341	3.2
65.37427	1.2
70.66609	2.7
71.01364	2.3
72.99314	2.3
73.93427	1.5
75.00874	1.6
75.32969	1.3
83.68671	1.3
85.02946	1.4
87.00878	4.7
93.03461	2.8
95.01360	2.1
96.96017	2.0
101.02415	1.9
107.67563	1.3
109.02922	2.0
110.00098	18.8
113.02470	1.5
119.05022	38.9
136.98792	2.4
137.02382	2.9
137.99556	1.7
139.00372	2.5
143.04951	2.3
147.04501	2.7
161.04585	1.9
165.99054	17.7
166.99762	1.7
171.04480	3.1
173.02419	2.1
180.00565	1.4
181.01411	5.6
190.99992	1.5
196.05290	1.6
198.03214	1.9
203.07033	1.3
211.03966	1.4
215.03615	2.3
216.04265	9.3
217.08728	1.9
218.09514	2.0
223.07614	1.8
226.02682	3.1
227.03503	9.7
236.08337	1.8
237.09195	17.2
240.04222	4.0
243.02907	15.4
244.03735	2.4
255.03009	7.3
256.03592	1.3
267.06647	1.8
271.02460	52.7
272.03241	100.0
273.03494	6.4
283.06052	6.0
284.03244	21.1
285.03790	4.3
286.04877	7.6
287.05594	99.9
288.05945	9.5
299.05591	23.5
300.05753	1.8
404.08679	2.4
419.11417	12.5
419.16736	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	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03445	1.1
59.01373	30.3
60.01709	3.0
61.98825	100.0
63.99244	1.7
71.01379	11.6
71.54256	0.6
72.01729	1.3
72.99310	1.0
73.02941	2.5
83.01413	0.9
85.02940	4.4
87.00869	6.4
89.02435	9.0
90.02810	1.0
93.03452	2.9
95.01357	0.8
97.06605	1.1
99.00879	1.4
101.02431	6.6
102.02782	0.8
111.00788	0.6
113.02446	4.7
114.02765	1.5
119.03524	2.5
119.05016	1.1
122.54943	0.7
123.04543	1.5
125.02461	0.6
130.99870	1.0
133.02953	7.3
134.03712	0.6
135.04515	2.5
137.02457	1.0
137.16864	0.6
147.04492	1.0
149.02486	0.7
149.04581	0.6
149.06081	1.8
155.93646	0.6
161.02428	35.9
161.04442	6.1
162.02795	1.5
162.04898	2.6
163.03987	1.1
165.02010	0.9
165.04015	0.6
165.05536	1.1
166.05109	1.4
173.04559	2.6
175.04044	0.6
179.03473	1.0
179.05655	1.0
180.04068	0.7
191.05585	1.5
193.05067	2.6
195.06537	0.8
223.05928	0.7
271.15396	1.3
284.06839	1.1
355.10303	38.5
356.10599	3.9
357.15424	1.5
358.15820	9.5
359.16318	0.7
368.80612	0.7
418.17825	1.2
419.10703	2.6
419.19220	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	419.1097
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
53.14881	0.6
59.01376	25.5
59.64987	0.7
61.98831	4.6
68.36764	0.6
69.38033	5.5
71.01376	2.7
72.99298	0.8
73.02943	0.9
75.00877	1.2
85.02937	1.4
87.00870	9.8
89.02419	1.0
92.05041	1.6
93.03455	1.3
98.19891	1.2
99.00905	0.7
101.02422	1.9
110.78551	0.6
113.02449	0.8
119.04987	3.4
120.04556	4.0
122.06110	3.3
122.99583	0.6
123.04520	5.2
125.09744	0.7
130.17717	0.7
130.99864	3.3
132.04567	1.4
133.01740	0.9
135.04517	0.9
137.02446	1.0
140.01070	0.8
147.03236	9.8
147.04372	1.3
148.04041	5.6
148.05148	1.1
149.02434	1.0
149.04576	0.7
149.06044	2.6
150.03261	1.3
150.05565	1.4
160.04099	0.8
163.04002	1.7
164.03474	1.1
173.04564	2.7
175.02670	3.4
176.03481	8.4
177.03961	1.1
179.05827	1.4
180.14130	0.6
181.07858	0.9
184.06386	1.1
187.08839	1.0
193.05061	2.2
197.07159	0.8
199.05034	0.9
199.08762	4.0
206.04556	2.6
207.05392	1.7
210.07831	1.0
211.08681	1.2
212.05872	1.1
212.10858	1.4
213.10281	0.9
214.07463	1.0
215.11868	8.9
217.96919	0.7
222.07674	1.1
223.06223	1.3
225.06676	2.2
225.10374	2.1
226.07384	1.5
227.04594	4.0
227.08205	2.7
227.11839	1.5
228.10312	1.0
237.06715	1.6
238.07338	0.9
239.08296	1.2
240.09009	5.6
241.09779	5.7
243.07762	6.1
243.11363	3.0
244.08170	0.8
251.04417	0.7
253.09850	3.9
254.04265	1.3
255.05077	1.9
255.07558	1.3
255.11336	4.6
256.09851	1.8
265.06122	1.3
266.06891	4.4
267.07724	1.2
269.05637	3.2
269.09140	0.9
271.07306	2.2
271.10861	4.5
281.09286	10.0
283.07172	1.5
284.07928	2.7
297.08749	1.6
299.10422	8.0
303.09756	1.0
313.11893	2.2
314.33438	0.7
315.09845	1.5
325.08215	2.4
331.13010	3.0
339.88004	0.6
343.09238	2.3
357.10876	3.2
359.08212	1.4
366.85364	0.8
369.07217	0.9
375.11813	5.1
387.08292	1.3
401.09540	3.0
419.10870	100.0
420.11292	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83629	0.8
57.03442	2.0
58.00574	0.8
59.01377	96.9
60.01700	1.7
60.58680	0.8
61.98827	100.0
69.54418	0.7
70.00083	2.9
70.00505	1.7
71.01379	33.0
72.99315	1.8
73.02931	5.4
75.00893	1.3
83.01390	2.2
83.05044	0.9
85.02963	10.2
87.00874	6.0
89.02441	31.1
93.03464	2.9
95.01397	2.5
96.96048	1.1
99.00896	2.3
101.02441	22.0
103.20744	0.8
110.71806	0.9
113.02448	13.2
118.79638	0.8
119.03503	12.2
123.04507	1.3
125.02477	1.1
128.92993	0.8
129.01923	1.0
131.03490	1.8
133.02986	3.2
135.04547	4.6
137.02440	2.0
143.03496	3.6
147.04497	2.0
149.04539	0.9
149.06075	2.5
155.01755	1.1
159.03024	1.5
161.02469	15.7
161.04535	25.8
162.04887	1.0
163.03990	1.8
164.04820	0.8
165.05586	1.1
173.04555	2.8
177.09189	3.1
179.03677	0.8
179.04031	1.0
179.05608	8.3
191.05589	1.5
195.10266	2.5
197.11958	1.0
201.37463	0.9
219.03024	1.7
222.79074	0.7
241.10771	1.1
243.11716	1.4
269.13806	1.6
280.95456	0.9
285.03958	1.7
287.02246	1.7
355.10297	16.7
357.15552	32.5
357.19965	1.7
358.15802	2.5
417.08563	3.2
417.17175	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	417.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01379	100.0
60.01722	1.1
61.98827	0.8
67.16519	0.3
69.50373	1.8
69.50783	0.8
71.01375	0.7
72.02239	0.4
73.02942	0.4
79.67543	0.3
85.02975	1.0
87.00884	1.9
88.98819	1.0
97.06618	0.4
101.02463	0.6
102.62646	0.3
107.79325	0.4
121.02966	0.6
141.35498	0.4
145.06590	0.6
146.03819	0.6
147.04544	0.9
149.06021	0.4
159.04524	1.5
172.05287	0.4
173.04619	0.7
173.06033	4.9
175.07709	0.4
199.07628	0.8
213.09326	0.5
215.07248	0.6
217.08675	0.9
231.10237	1.1
243.10384	0.6
276.99072	0.4
279.81583	0.4
355.15765	0.5
373.16635	0.4
375.27780	0.9
417.10928	0.4
417.15353	2.1
417.28357	1.8
418.15344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01379	100.0
60.01722	1.1
61.98827	0.8
67.16519	0.3
69.50373	1.8
69.50783	0.8
71.01375	0.7
72.02239	0.4
73.02942	0.4
79.67543	0.3
85.02975	1.0
87.00884	1.9
88.98819	1.0
97.06618	0.4
101.02463	0.6
102.62646	0.3
107.79325	0.4
121.02966	0.6
141.35498	0.4
145.06590	0.6
146.03819	0.6
147.04544	0.9
149.06021	0.4
159.04524	1.5
172.05287	0.4
173.04619	0.7
173.06033	4.9
175.07709	0.4
199.07628	0.8
213.09326	0.5
215.07248	0.6
217.08675	0.9
231.10237	1.1
243.10384	0.6
276.99072	0.4
279.81583	0.4
355.15765	0.5
373.16635	0.4
375.27780	0.9
417.10928	0.4
417.15353	2.1
417.28357	1.8
418.15344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52152	0.9
59.01374	100.0
61.98840	1.0
69.42782	7.3
78.53126	0.9
79.95723	2.0
80.96537	1.0
86.54119	1.0
86.66800	0.9
88.15672	1.1
96.95982	1.2
99.92458	1.1
117.46062	1.0
117.92937	0.9
143.63261	0.9
149.00731	1.0
165.56693	0.9
172.29729	0.9
209.46014	0.9
224.95329	1.1
289.05386	1.4
309.82413	1.2
417.21097	4.0
433.07996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83629	0.8
57.03442	2.0
58.00574	0.8
59.01377	96.9
60.01700	1.7
60.58680	0.8
61.98827	100.0
69.54418	0.7
70.00083	2.9
70.00505	1.7
71.01379	33.0
72.99315	1.8
73.02931	5.4
75.00893	1.3
83.01390	2.2
83.05044	0.9
85.02963	10.2
87.00874	6.0
89.02441	31.1
93.03464	2.9
95.01397	2.5
96.96048	1.1
99.00896	2.3
101.02441	22.0
103.20744	0.8
110.71806	0.9
113.02448	13.2
118.79638	0.8
119.03503	12.2
123.04507	1.3
125.02477	1.1
128.92993	0.8
129.01923	1.0
131.03490	1.8
133.02986	3.2
135.04547	4.6
137.02440	2.0
143.03496	3.6
147.04497	2.0
149.04539	0.9
149.06075	2.5
155.01755	1.1
159.03024	1.5
161.02469	15.7
161.04535	25.8
162.04887	1.0
163.03990	1.8
164.04820	0.8
165.05586	1.1
173.04555	2.8
177.09189	3.1
179.03677	0.8
179.04031	1.0
179.05608	8.3
191.05589	1.5
195.10266	2.5
197.11958	1.0
201.37463	0.9
219.03024	1.7
222.79074	0.7
241.10771	1.1
243.11716	1.4
269.13806	1.6
280.95456	0.9
285.03958	1.7
287.02246	1.7
355.10297	16.7
357.15552	32.5
357.19965	1.7
358.15802	2.5
417.08563	3.2
417.17175	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07555	0.6
59.01371	3.7
61.98820	0.5
65.03946	0.7
69.03472	0.6
69.61945	3.4
71.01373	2.8
72.99295	0.7
76.14168	0.5
85.02949	2.5
87.00893	1.1
89.02431	1.6
91.01882	0.7
93.03453	0.6
95.01378	0.8
96.95956	0.6
108.02166	47.0
109.02951	31.0
109.03703	1.2
110.03295	1.3
123.00858	1.1
123.04580	1.0
133.02928	0.6
135.00885	6.2
135.04530	0.7
151.03998	1.9
152.01143	94.5
153.01898	6.4
163.04013	2.1
173.04584	1.0
191.05586	1.1
199.80151	0.6
241.07091	1.0
243.12503	0.6
265.22818	0.6
285.06219	1.5
417.10333	100.0
418.10699	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	417.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01379	2.7
61.98828	0.2
65.00349	0.2
65.84673	0.2
67.01884	0.4
68.99828	0.2
71.01038	0.2
71.01379	0.9
71.54353	0.2
73.02943	0.3
75.10120	0.2
77.78098	0.1
81.03458	0.5
84.02166	0.5
85.02961	1.0
87.00876	0.7
89.02444	0.2
93.03453	0.9
95.01401	1.0
95.05043	0.4
96.96011	0.4
97.02950	0.3
98.08231	0.2
101.02426	0.3
101.48667	0.2
107.01357	0.2
107.05033	0.5
108.02143	0.3
109.02951	3.6
111.00887	0.7
113.02435	0.3
114.13509	0.2
119.05017	0.2
121.02975	0.8
121.06539	0.3
123.00889	4.3
123.04517	0.9
124.01640	0.5
125.02444	1.3
130.79086	0.1
131.04964	0.2
133.02945	0.6
135.00887	0.2
135.04486	0.2
136.01614	0.4
137.02443	16.1
138.02901	0.6
139.00356	0.8
139.04007	1.0
145.02896	0.3
147.04520	0.6
149.02432	1.8
149.06035	0.5
149.07240	0.2
150.03197	0.7
151.00365	25.2
151.03986	1.9
152.01146	2.6
152.04782	3.3
153.01918	0.7
153.05545	0.3
154.02681	0.2
159.04483	0.8
161.02464	0.4
162.03302	0.2
162.86574	0.2
163.03940	1.0
164.04822	0.4
165.01956	1.1
165.05484	0.3
166.02708	66.8
167.03401	4.9
173.02423	0.4
173.04478	0.3
174.03300	0.3
175.03964	1.4
175.07570	0.2
176.01163	0.2
176.04694	0.2
177.01930	4.1
177.05493	0.4
178.02635	0.6
179.03523	0.8
179.07071	0.3
181.05060	100.0
182.05386	4.0
183.10306	0.2
184.03772	1.2
187.03946	0.2
189.05492	0.5
190.02769	0.4
190.06404	1.2
191.03568	1.3
192.04271	1.3
193.05002	1.1
195.02925	0.8
203.03442	0.5
204.04288	0.3
205.05069	1.4
205.08698	1.7
206.05765	0.3
207.06612	1.8
209.04561	0.5
211.04037	0.2
211.07587	0.5
217.05003	0.4
218.05817	0.3
219.06592	0.6
220.07242	0.2
221.04497	0.3
224.03244	0.2
227.07080	0.2
233.08186	0.3
235.06076	0.3
239.03360	0.3
250.00189	0.2
255.06418	0.2
257.04657	0.2
257.07993	0.3
269.17502	0.2
271.06088	0.5
280.61536	0.2
285.03934	0.4
286.08447	0.2
299.05560	0.3
301.07126	0.6
301.10965	0.2
314.08163	0.2
316.09509	0.2
324.02460	0.2
324.06235	0.2
329.10263	0.5
341.10129	0.2
356.12720	0.3
357.09784	0.6
359.11353	2.3
371.14987	0.9
372.08289	0.2
387.10828	16.7
388.11182	1.5
402.13159	11.7
402.18640	0.3
403.13559	1.1
417.15549	36.8
418.16003	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03431	2.7
58.91997	0.8
59.01379	100.0
60.01707	1.2
61.98829	22.1
62.54720	0.8
67.83295	0.8
68.99818	1.0
69.03446	2.0
69.43063	6.4
71.01382	50.6
72.99276	1.8
73.02948	14.3
75.00875	1.8
75.71607	0.8
81.03455	1.1
83.01385	6.7
83.05022	1.3
85.02454	1.7
85.02951	25.9
87.00873	6.9
89.02442	6.2
93.03449	3.5
95.01374	4.1
96.96013	1.9
97.02977	1.6
99.00875	7.6
101.01798	1.6
101.02449	27.6
109.02956	1.2
111.04524	1.4
111.08152	4.0
113.02451	21.0
119.03554	1.9
119.04999	1.0
121.02966	1.1
123.04467	1.0
125.02430	1.7
135.04517	3.2
137.02429	2.0
139.07654	28.5
140.07999	1.3
143.03517	4.4
147.04512	1.7
148.05252	2.9
149.04591	0.8
149.06041	2.9
159.02960	6.9
161.04549	64.4
162.04881	2.8
163.03951	3.4
163.07626	1.1
163.11217	1.2
164.04778	1.7
165.05576	1.4
166.05060	2.4
173.04547	4.2
175.99048	0.8
179.03612	0.8
181.08676	2.2
191.05627	2.3
193.05058	1.7
195.10271	6.5
213.09123	1.1
219.03032	1.5
243.12540	2.1
252.02966	0.9
269.13931	1.2
357.15515	22.8
358.15839	2.3
381.17548	2.0
399.07233	0.9
417.08841	2.8
417.17633	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.7
69.99496	0.9
69.99888	1.3
71.01380	4.3
71.01741	0.8
76.36237	0.6
85.02956	1.5
87.00873	10.6
89.02435	5.6
93.03454	0.9
101.02415	2.5
108.02183	2.6
109.02940	1.6
113.02433	2.0
119.03493	1.7
119.04958	0.6
122.03700	1.7
123.04517	69.6
124.04865	3.1
130.99878	0.9
134.03629	0.7
147.04506	1.6
148.05370	0.7
149.06068	20.7
150.03212	3.0
150.06380	1.4
151.03967	2.4
152.01097	4.2
165.05562	17.5
166.05878	1.1
172.49965	0.6
175.03952	1.3
193.05037	24.9
194.05482	1.1
195.02991	8.2
211.06085	1.3
219.02892	2.6
223.30066	0.6
237.04048	0.6
255.05060	7.7
293.37030	0.5
355.10275	1.1
357.08221	8.4
358.08807	0.8
381.08377	0.7
417.10336	100.0
418.10654	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56024	1.3
55.01854	1.2
57.03430	5.0
57.98136	1.2
59.01377	37.9
61.98827	8.6
65.00315	2.3
65.94013	1.4
67.01865	2.9
68.65519	1.2
69.03437	2.8
69.30486	2.0
69.30896	9.4
71.01377	28.4
72.99300	8.4
73.02930	5.6
75.00867	19.5
77.35239	1.2
79.45195	1.1
81.03427	1.6
83.01376	3.2
83.05004	1.5
83.84361	1.2
85.02465	1.8
85.02950	26.1
87.00876	14.0
87.39326	1.3
89.02460	12.4
91.01896	11.5
93.03459	13.5
95.01386	6.8
95.04996	4.5
97.02967	1.7
99.00875	15.3
100.03892	1.3
101.02439	6.8
103.00336	2.2
107.05017	1.3
108.02151	4.6
109.02945	7.0
111.00848	3.5
111.04505	3.5
113.02450	31.0
113.06101	1.8
115.00315	3.0
117.01951	3.8
121.03002	2.1
123.00854	2.4
123.04520	49.3
124.01679	1.4
124.04829	1.8
125.02385	1.5
129.01952	3.5
131.03436	1.4
133.37051	1.2
134.03607	1.6
135.04486	6.4
137.02429	11.8
139.00319	1.6
145.10176	3.8
147.04446	1.7
149.04523	2.7
149.06001	2.5
151.00345	2.9
152.01118	5.4
153.01935	8.6
153.05464	1.6
155.03430	2.0
157.05028	6.5
165.01894	1.5
165.05371	1.3
166.02698	1.7
167.03490	90.9
168.03772	4.8
173.04579	20.3
173.06046	2.5
174.04924	1.3
175.02417	3.8
175.03786	1.4
177.05591	1.4
179.03467	3.4
181.05040	1.3
191.05574	6.9
192.05882	1.6
202.89819	1.3
219.02956	3.1
223.05984	1.3
226.04669	2.8
227.05560	5.2
231.05112	4.6
241.07152	7.0
243.12341	21.3
249.06128	52.3
250.06381	2.8
255.06755	2.2
267.07172	22.4
271.06152	1.6
286.73203	1.2
297.07538	4.0
341.06445	1.8
354.09106	2.2
355.10498	1.7
357.08188	3.4
373.09402	2.0
385.07373	3.4
385.11765	1.8
397.73502	1.3
399.09308	9.9
417.10226	100.0
417.17520	4.0
418.10690	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	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03443	0.4
58.00594	0.2
59.01375	100.0
60.01711	1.3
61.26190	0.1
61.98839	0.1
69.03460	0.2
69.93098	0.1
71.01378	5.9
72.99310	0.4
73.02934	1.8
75.00866	0.2
83.01376	0.9
85.02946	2.8
85.87537	0.1
87.00867	0.8
89.02438	2.7
93.03462	0.1
95.01385	0.6
97.02946	0.2
98.20599	0.3
99.00861	0.6
101.02435	4.4
111.00872	0.2
113.02444	2.4
113.03158	0.2
113.86783	0.1
119.03497	1.3
125.02427	0.1
129.01953	0.2
130.99927	0.1
131.03522	0.2
132.76923	0.1
143.03526	0.3
149.06032	0.2
159.02988	0.2
161.04552	1.5
173.04512	0.4
173.05867	0.1
179.05647	0.6
179.07091	0.2
214.06485	0.1
215.07152	0.1
229.08760	0.1
235.17317	0.1
237.02097	0.1
266.02246	0.4
267.16318	0.2
285.03934	0.1
354.74771	0.1
355.21442	0.2
373.22247	1.5
374.22949	0.2
379.14862	0.1
400.05969	0.3
415.08798	0.2
415.23398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	0.9
61.98814	1.5
65.69071	0.7
71.53019	0.8
93.20993	1.0
107.68838	0.8
146.91214	0.8
207.27272	1.0
396.98984	0.8
415.26620	1.4
415.32138	29.1
416.32376	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.1
60.46096	0.5
61.98845	0.6
70.55099	0.5
71.29791	1.0
72.52724	0.6
110.18058	0.7
116.83779	0.5
127.00559	0.5
147.14641	0.6
221.13541	0.6
415.15509	1.3
415.32224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59835	0.4
56.90881	0.5
59.01380	100.0
60.01717	0.5
70.91624	1.1
70.91956	0.7
71.01382	5.7
73.02951	1.2
75.00893	0.5
75.93888	0.5
83.01411	0.8
85.02970	1.9
89.02451	4.8
95.01421	0.7
99.00906	0.6
101.02446	4.5
105.96505	0.5
113.02446	2.3
119.03521	1.2
121.51041	0.5
143.03746	0.5
147.04532	1.1
161.04599	1.1
179.20256	0.6
407.70328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03447	0.4
58.00590	0.2
59.01378	100.0
60.01711	1.0
69.23952	1.3
71.01380	5.0
72.99311	0.3
73.02943	1.6
75.00858	0.2
83.01377	0.9
85.02950	2.0
86.00110	0.2
87.00888	0.3
89.02444	2.4
89.02950	0.2
93.03485	0.2
95.01365	0.3
97.02973	0.1
99.00879	0.5
101.02434	3.8
113.02448	2.3
119.03496	1.2
133.20978	0.1
143.03511	0.3
149.06012	0.2
159.03040	0.3
161.04564	1.4
173.04544	0.3
179.05672	0.5
189.89206	0.2
358.65875	0.1
373.22256	1.5
374.22906	0.3
415.23413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12625	0.5
51.53831	0.4
55.01871	0.5
57.03448	0.9
58.00591	0.5
59.01377	100.0
60.01713	1.2
60.02004	0.4
61.17100	0.3
61.98836	1.4
63.11298	0.3
69.03436	0.3
69.34152	0.4
71.01382	11.8
71.54597	0.3
72.99303	0.8
73.02941	4.4
75.00846	0.5
75.88132	0.3
83.01386	1.8
85.02944	4.6
87.00876	2.9
88.98821	0.3
89.02439	7.1
93.03517	0.4
93.42499	0.4
95.01398	1.1
95.60831	0.4
96.96032	0.6
97.06593	0.4
99.00902	1.0
101.02439	8.2
109.02959	0.3
113.02451	6.0
114.45947	0.3
119.03496	2.3
125.02474	0.4
132.64282	0.4
137.02472	0.5
137.09744	0.6
143.03511	0.5
147.04497	0.7
149.06052	0.5
159.03146	0.5
159.04578	1.0
161.04567	3.3
172.05324	1.1
173.04623	0.9
173.06064	0.8
183.13950	1.3
185.06165	0.6
186.06902	0.9
187.04094	0.5
187.07709	0.5
193.05060	0.4
199.07806	0.5
200.04797	0.5
201.05653	0.6
201.09207	1.5
205.05191	0.8
211.07605	0.9
211.17032	1.0
214.06392	0.5
215.07216	1.2
218.01898	0.4
225.09276	0.8
227.12962	1.2
229.08765	1.1
243.10175	2.0
245.08342	0.6
309.14896	0.6
327.12448	0.5
336.83612	0.4
355.21286	1.3
371.15033	0.7
373.22247	12.0
374.22766	1.4
415.14548	1.3
415.23111	1.1
415.27362	1.3
438.29681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.13178	0.5
50.23665	0.5
52.11137	0.6
52.84525	0.6
55.01870	1.8
57.03448	1.3
58.00592	1.0
59.01379	100.0
60.70046	0.5
61.72227	0.5
61.98816	2.8
63.41124	0.5
69.03453	1.9
69.40717	2.4
69.41142	1.7
71.01381	41.5
72.39630	0.5
72.99307	2.1
73.02945	51.7
74.03288	0.8
75.00873	7.9
82.64036	0.6
83.01382	18.6
85.02941	5.2
87.00892	3.4
89.02444	9.1
93.03468	0.9
95.01427	1.0
97.02967	1.3
99.00896	1.9
101.02438	44.3
113.02454	11.4
119.03486	4.3
125.02453	1.9
129.01959	1.6
131.03491	3.4
137.02505	0.6
143.03471	3.2
147.03009	1.3
147.11823	1.5
149.04579	3.5
149.06006	1.2
155.03543	1.7
157.49983	0.6
161.04558	8.4
165.04041	18.2
173.04605	0.7
179.05675	0.6
191.03625	0.6
191.05568	0.9
193.05150	0.7
193.12323	29.4
194.12691	1.5
203.05600	0.7
221.06602	0.9
223.13368	8.4
355.17480	1.2
373.18759	2.5
415.15845	3.0
415.20273	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23721	0.5
58.27644	0.4
59.01374	0.8
61.98803	0.5
71.53805	0.7
74.99088	5.5
77.00661	71.7
94.16071	0.6
107.68532	0.4
147.08141	1.5
149.09721	1.5
161.09703	0.8
163.11288	2.3
164.02054	0.6
187.11281	1.9
271.63757	0.5
279.13773	0.7
280.14667	1.1
309.22321	2.4
337.21698	100.0
338.22015	12.6
412.32150	0.6
415.23080	18.0
416.23282	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	415.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.6
59.01374	100.0
59.34543	0.5
60.01702	0.8
61.98801	0.5
69.03466	0.7
69.36156	4.0
71.01374	14.3
73.02940	16.7
83.01392	3.9
85.02950	2.6
87.00886	0.7
88.41553	0.5
89.02441	7.0
95.01401	0.6
99.64450	0.5
101.02433	14.4
113.02440	5.5
119.03492	2.9
131.03542	1.5
133.06569	0.9
134.03769	1.6
134.18738	0.5
143.03461	1.0
149.04562	1.1
161.04555	1.9
165.04047	2.2
173.04663	0.7
193.05132	0.7
223.13440	2.1
230.57253	0.5
294.75586	0.5
364.45612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
57.03448	1.0
58.47046	0.5
59.01376	36.8
59.37331	0.6
61.98820	1.0
69.03453	0.7
71.01379	6.3
71.54198	0.9
72.99316	1.6
73.02953	1.0
75.00867	38.2
76.01213	0.7
80.22713	0.6
80.85564	0.6
85.02940	3.6
87.00868	4.1
89.02438	4.7
89.59792	0.7
91.01895	1.2
93.03393	0.7
99.00890	1.2
101.02425	2.0
103.90919	0.6
105.01944	1.8
113.02436	1.4
117.01891	0.6
119.04993	0.8
121.02912	0.9
129.01941	8.6
135.00851	2.9
136.54221	0.6
136.55293	0.6
147.02975	5.4
147.04480	1.4
153.01898	1.0
163.00359	2.0
163.04160	0.8
165.04027	100.0
166.04355	2.3
175.92921	0.6
187.82779	0.7
203.58347	0.7
223.13370	30.5
224.13719	1.7
255.02858	0.7
267.12347	4.3
320.89972	0.6
415.10553	1.5
415.15924	17.8
416.16226	1.4
428.93015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1606
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03453	4.9
58.00592	1.2
59.01376	100.0
60.01696	1.0
61.98819	1.0
65.18188	1.0
67.01888	2.0
69.03442	2.5
69.17110	8.8
71.01376	24.0
71.04988	1.2
72.99276	1.2
73.02937	8.3
79.05547	1.0
81.03462	1.8
83.01378	1.0
83.05023	4.3
85.02957	5.0
87.00877	4.9
89.02442	42.7
93.03458	14.6
97.06583	1.3
98.20668	1.7
99.00878	12.7
99.04512	5.4
101.02435	14.4
102.54350	0.9
109.02945	0.9
111.04530	7.4
113.02447	4.8
119.03487	3.0
119.05060	1.0
119.08658	3.0
125.02438	1.5
127.04047	1.4
129.01964	1.1
131.03482	7.6
134.86365	0.7
135.04489	1.7
135.08136	1.5
137.02484	2.1
137.09735	6.1
143.03433	1.1
145.85384	0.9
147.04527	1.5
149.04553	25.6
149.05875	2.0
149.09741	1.0
153.12943	1.0
155.03535	6.9
159.04451	1.2
161.04572	2.1
163.07602	2.4
167.10736	0.9
173.04535	40.5
174.04832	1.8
177.09196	2.3
179.10751	3.2
181.08681	14.3
191.05598	22.0
197.11819	43.1
198.12157	2.8
211.09663	1.6
223.09790	1.6
237.04054	1.0
241.10802	73.4
242.11096	4.8
251.07600	2.2
311.09790	0.8
415.16040	62.5
416.16348	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34795	0.5
54.30235	0.6
54.63052	0.5
55.01883	2.2
57.03457	2.1
58.00602	1.9
59.01377	100.0
60.01714	1.4
61.98833	1.8
68.99804	0.6
69.03456	1.3
69.30277	0.5
69.43336	4.6
71.01380	40.3
72.99288	3.0
73.02942	48.6
74.03276	0.8
75.00867	8.9
81.03461	1.0
83.01381	14.8
85.02946	7.2
87.00868	3.7
87.04501	1.0
87.16797	0.6
89.02439	11.3
93.03458	1.1
95.01395	2.1
99.00887	2.0
101.02438	42.1
111.04527	0.9
113.02446	15.3
119.03518	4.8
119.05029	0.7
121.02982	1.1
125.02489	2.0
129.01967	2.5
131.03510	4.2
135.11861	0.6
143.03468	3.1
147.02982	1.4
147.04579	1.1
147.11786	1.4
149.04587	3.1
149.06133	1.2
155.03503	2.0
161.04555	7.9
165.04041	17.9
165.05460	1.0
166.04356	0.7
173.04526	1.4
193.05052	0.9
193.12321	32.1
194.12700	1.5
203.05598	1.0
221.06725	1.2
223.13382	6.8
267.12418	0.9
267.16144	1.1
340.09531	0.6
355.17560	2.8
373.18658	3.0
415.15720	2.0
415.20047	6.3
416.20273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00583	0.5
59.01376	18.4
60.01712	0.5
60.99295	0.8
61.98819	1.0
67.01882	3.9
69.03449	1.4
69.91178	1.8
71.01382	5.0
73.02921	0.8
75.00860	0.9
81.03465	0.7
83.05025	1.6
83.40646	0.5
85.02946	1.9
87.00867	2.7
89.02428	1.0
93.03452	24.5
94.03766	0.7
95.05011	0.6
96.96004	7.2
97.06580	1.4
99.00830	0.6
99.04493	0.9
101.02435	0.5
109.02959	1.1
111.04508	4.8
113.02371	0.5
125.06079	0.7
127.04008	0.6
135.04443	0.6
137.02419	4.8
137.09700	1.2
155.03476	5.3
164.04671	0.6
165.04007	1.0
165.05493	0.5
173.04530	100.0
174.04883	3.6
179.10767	1.6
181.08653	3.0
191.05583	5.7
193.05057	0.5
197.11841	7.0
239.13107	0.5
241.10805	15.2
242.11243	1.1
267.12488	0.7
283.11954	5.7
415.16074	27.2
416.16434	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56367	0.9
57.03450	5.5
59.01377	100.0
60.55686	1.0
60.99308	1.1
61.98829	52.6
70.88406	2.5
71.01388	5.2
73.02940	2.1
78.76106	1.1
81.03431	2.1
83.05002	4.7
85.02955	6.3
87.00873	4.1
89.02438	1.6
91.11934	0.9
92.74319	1.0
93.03461	13.8
99.00890	1.0
99.04556	1.3
101.02423	2.0
111.04533	8.2
113.02508	1.0
119.05061	1.6
119.08659	4.3
121.02885	1.1
123.04561	1.6
127.04001	2.4
129.01953	1.3
135.08101	1.0
137.02423	3.0
137.09712	6.1
147.04536	2.6
149.06125	3.0
155.03539	8.0
161.02400	1.1
161.09698	1.1
162.03313	1.1
163.04008	3.4
163.07719	2.0
167.03540	2.5
173.04553	37.7
174.04747	0.9
179.10739	5.0
181.08684	16.0
185.16139	0.9
191.05602	62.5
192.05887	1.8
193.04987	1.4
197.11819	66.9
198.12143	2.9
207.03000	1.4
223.09758	1.3
235.02591	0.9
241.10811	79.7
242.11156	6.4
275.14719	1.0
415.16083	71.4
416.16269	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42146	0.4
55.01889	0.6
57.03460	1.2
57.09043	0.4
59.01381	12.6
60.99306	1.7
61.53287	0.3
61.98826	0.8
67.01891	5.1
69.03454	1.4
71.01392	4.7
72.48644	0.4
73.02950	1.6
81.03472	1.5
83.05008	0.9
85.02946	11.0
87.00872	8.8
87.01373	0.7
89.02449	1.1
93.03455	52.0
94.03802	0.8
95.01385	0.7
96.96005	5.2
98.19839	0.9
99.00913	1.1
99.04511	1.3
101.02463	1.4
101.33652	0.4
109.02977	1.3
111.04526	5.6
113.02482	1.1
119.05022	0.8
124.88886	0.4
125.02478	0.8
127.03975	2.0
129.01936	1.5
129.07109	0.8
130.04224	0.5
131.05077	0.8
133.02994	0.6
135.04541	0.6
137.02425	1.4
137.09764	0.7
143.05042	0.6
145.06593	1.1
146.03719	1.0
147.04510	1.2
149.06055	1.5
151.14165	0.4
155.03490	1.3
157.06552	1.3
158.03726	1.0
159.04488	1.3
171.03000	0.5
171.04382	0.5
173.04538	20.5
173.06056	7.8
174.04947	0.5
175.04044	2.2
179.10747	0.9
181.08713	0.8
183.04532	1.4
186.03177	0.6
191.05605	100.0
192.04349	0.8
192.05937	3.4
193.05060	0.7
197.11879	2.4
199.04024	3.4
201.05569	15.5
202.05898	1.0
214.06293	0.5
217.05142	0.5
231.06523	0.4
233.08192	6.6
234.08516	0.5
241.10849	2.6
241.14458	1.1
245.04549	4.5
253.08736	3.1
267.10187	0.6
277.07166	20.2
278.07465	1.3
295.09753	3.1
297.07571	4.2
327.12329	2.8
339.08600	3.3
355.14050	0.9
356.08786	1.3
371.11188	3.8
400.69516	0.5
415.10333	7.3
415.15991	68.0
416.10745	0.9
416.16235	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	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84498	0.7
57.03439	1.1
58.91284	0.8
59.01376	24.6
60.99294	1.0
61.98826	11.8
65.43261	0.8
67.01881	1.9
69.03440	0.8
71.01369	3.4
71.52515	0.9
72.99307	2.2
78.95901	2.0
83.01360	0.9
83.05020	3.1
85.02934	3.6
87.00874	6.0
88.98800	3.4
89.02422	2.4
89.62888	0.8
89.63956	0.7
90.99325	0.8
93.03450	13.3
96.95990	3.3
96.96957	4.4
101.02487	1.3
108.35973	1.0
109.02943	1.4
111.04533	4.7
113.02395	1.1
113.99617	0.8
115.03998	0.8
118.65524	0.8
119.03377	0.8
119.04996	1.4
121.02960	1.2
122.02418	1.1
123.00845	1.5
123.04517	2.4
127.04033	1.4
129.01924	2.1
135.04541	1.1
137.02408	3.2
137.06078	1.6
147.04565	1.0
149.02448	5.0
149.06071	2.7
151.00368	17.2
155.03508	5.5
163.04048	1.6
164.04774	5.3
165.01888	1.0
165.05524	3.3
166.02705	58.7
167.03059	2.1
173.04536	35.2
174.04834	1.8
177.05537	1.1
179.07141	3.7
181.05060	100.0
182.05388	6.1
191.03752	1.1
191.05609	13.0
193.05025	1.3
197.11810	1.8
209.06183	1.3
223.06129	1.0
233.06609	1.1
241.07161	78.8
242.07471	5.9
250.02669	0.9
261.23834	0.9
295.11722	1.3
325.09134	0.8
327.08743	1.1
353.02719	1.2
354.09689	0.8
355.15094	1.7
412.85968	0.8
415.07916	1.8
415.12695	7.5
438.31616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	1.3
69.55376	1.0
69.55798	1.3
79.72494	0.4
81.16973	0.3
87.27605	0.3
88.04790	0.4
100.67986	0.3
118.10209	0.4
194.36237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92244	0.9
53.92514	0.9
55.59810	0.8
59.01074	1.2
59.01374	21.6
61.98829	15.9
65.03952	1.5
67.01887	3.2
69.03434	1.0
69.38075	2.2
69.38488	5.3
71.01364	4.8
75.00861	1.3
81.03450	1.2
83.05039	1.4
85.02942	10.8
87.00877	7.9
89.02464	1.3
93.03455	70.4
94.03802	1.9
95.05007	1.1
96.96025	14.2
98.19830	2.1
99.00876	1.1
101.02438	2.3
109.02924	1.6
111.04512	4.6
113.02443	3.1
122.02502	1.3
124.11611	1.0
127.04005	1.9
128.88850	0.9
129.01894	1.6
129.07092	1.2
130.04254	1.5
131.05037	1.4
132.02185	1.0
137.02415	2.1
143.03511	1.0
143.05013	1.5
145.02913	1.3
145.06573	1.9
146.03719	2.3
147.04558	2.7
149.06087	2.8
155.03554	0.9
155.05051	1.4
157.06572	3.6
158.03711	3.7
159.04503	4.7
161.02402	1.1
167.06152	2.7
173.04539	17.2
173.06065	20.1
174.06557	2.1
175.03902	4.0
175.07628	1.4
177.05586	1.6
182.01054	1.0
183.04462	2.5
186.03262	1.5
187.03984	1.2
191.05602	100.0
192.04369	1.2
192.05873	4.5
193.05025	1.6
194.05313	1.1
197.11754	1.8
199.03960	9.2
200.04694	0.9
201.05559	42.9
202.05943	3.1
203.07103	1.3
214.06343	2.2
215.07010	1.8
216.08043	2.0
217.08687	2.6
219.06683	1.4
222.06699	1.8
223.13472	1.4
230.05827	1.3
233.08145	19.7
234.08513	1.2
236.08170	2.9
241.10735	1.6
245.04556	10.4
253.08681	10.0
254.09239	1.9
264.07642	1.8
266.09460	1.4
267.10001	2.3
267.12454	3.7
277.07147	53.0
278.07520	3.6
283.15704	1.6
284.10132	1.7
294.08829	4.5
295.09756	6.3
297.07651	9.8
298.08081	1.1
312.10028	1.0
326.08014	1.1
327.12305	8.1
339.08682	9.8
347.07697	7.6
348.08276	0.9
353.10696	1.0
354.10510	1.1
356.08871	10.9
371.11157	8.2
379.10156	2.1
414.19052	0.9
415.10287	21.4
415.16064	62.0
416.10712	2.3
416.16370	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01380	100.0
60.01690	0.9
69.19134	5.3
71.01378	9.1
73.02943	7.7
81.03493	0.6
83.01409	1.8
85.02965	2.6
87.00891	2.5
89.02429	2.9
95.01413	0.6
99.00891	0.8
101.02457	6.9
113.02464	3.7
119.03488	1.3
121.02974	1.4
123.04595	0.6
131.03490	0.7
138.01924	1.0
143.05191	0.6
149.06071	3.4
160.01616	3.1
161.04648	1.1
163.04135	0.6
163.84915	0.6
173.04643	1.0
175.04008	5.1
193.05086	1.8
237.04099	1.2
261.08820	0.6
315.04813	0.6
371.20898	0.7
413.14725	0.8
413.21857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14316	0.3
54.28558	0.3
55.22464	0.3
56.76248	0.3
59.01377	100.0
60.01719	1.1
70.75335	0.8
71.31335	0.3
87.93392	0.3
88.70064	0.3
107.50953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
57.03449	2.0
59.01381	28.6
61.98810	3.5
70.95844	1.8
70.96175	1.6
71.01379	25.6
72.02042	1.0
72.99313	1.8
73.02943	12.2
83.01397	5.5
85.02946	14.9
87.00878	4.5
88.98788	2.0
89.02443	9.6
95.01382	1.5
96.96002	1.4
96.96963	1.4
99.00908	6.2
101.02442	27.9
111.00896	1.4
113.02453	10.8
119.03495	1.9
119.78083	1.2
125.02372	1.6
129.99176	1.2
131.03502	3.0
146.08273	1.8
147.04555	1.7
159.03018	3.0
161.04543	12.1
163.04112	1.2
173.04631	1.3
180.47310	1.2
191.05647	3.5
221.10287	40.7
222.10672	2.3
237.93307	1.2
239.09229	1.7
244.37383	1.2
252.49791	1.4
350.14816	2.4
353.14520	100.0
354.14774	8.2
413.15448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03431	0.3
57.57195	0.2
59.01379	100.0
60.01711	1.3
61.98821	0.4
63.56956	0.2
68.90721	0.2
69.22204	1.3
69.22639	1.2
71.01383	4.8
73.02957	1.7
83.01398	0.8
84.32402	0.2
85.02940	2.3
87.00893	0.9
89.02457	1.1
93.03439	0.4
98.20691	0.4
99.00905	0.7
101.02441	3.5
104.02243	0.3
113.02468	2.0
119.03511	0.3
120.65789	0.3
125.02463	0.3
129.94800	0.2
145.03001	0.3
147.04614	0.3
149.06122	0.3
150.09714	0.4
159.03029	0.3
161.04564	1.8
173.04588	0.9
282.14227	0.3
339.05435	0.3
353.19916	0.3
354.20245	0.3
369.10172	0.3
371.20575	1.7
413.14346	0.5
413.25800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03439	0.6
59.01379	100.0
60.01723	0.6
61.98835	0.5
69.17020	1.0
69.17446	1.8
71.01384	6.7
71.04962	0.3
72.99308	0.3
73.02958	2.2
75.00894	0.8
81.57543	0.3
83.01408	1.1
85.02943	3.2
87.00880	1.1
89.02464	0.9
90.56395	0.3
91.51169	0.3
93.03500	0.3
95.01414	0.6
96.96014	0.8
98.20668	0.6
98.79459	0.3
99.00884	1.0
101.02438	4.3
113.02456	2.9
119.03513	0.5
123.04549	0.3
125.02411	0.3
137.02454	0.3
138.97115	0.3
139.52278	0.2
143.03502	0.4
145.02972	0.3
147.04601	0.3
149.06100	0.7
159.02974	0.6
161.04547	3.6
163.04048	0.6
163.07741	0.3
168.71019	0.3
175.04002	0.7
181.38022	0.3
184.57338	0.3
193.05087	0.7
209.15517	0.3
223.13443	0.3
367.40930	0.3
371.20667	3.5
372.21292	0.5
413.21658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86457	1.3
59.01376	6.5
61.98827	22.4
63.71441	1.1
69.42802	6.5
69.43209	2.7
70.32050	1.3
71.01382	17.9
71.05028	4.6
78.62556	1.3
85.02944	1.5
87.00870	2.4
88.04028	4.1
89.02448	3.3
93.03470	3.8
99.00858	2.1
99.04543	1.4
101.02406	1.7
115.00340	1.7
118.02980	2.7
119.04949	1.3
136.04031	20.4
146.08226	56.2
147.04465	1.2
147.08600	1.6
148.05350	2.8
163.03976	3.0
163.07596	1.3
173.04501	2.9
180.59369	1.2
191.05583	2.9
203.76308	1.2
207.06592	6.1
208.06100	2.7
239.09366	2.3
252.05092	3.4
278.12445	8.0
299.20071	1.2
325.07141	1.8
350.14523	100.0
351.14899	10.8
413.14993	2.0
414.10376	8.4
414.15164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
56.01725	0.5
59.01374	11.6
61.98827	12.1
67.01885	1.0
69.03452	100.0
69.26238	1.2
69.26638	4.3
70.03790	2.4
71.01378	5.1
72.99303	2.3
73.02925	0.6
78.95893	0.6
79.01877	3.7
85.02927	2.9
85.47378	0.5
87.00861	1.3
89.02443	2.8
95.01384	3.5
96.96017	2.1
97.02943	19.5
99.00874	25.1
101.02427	2.1
113.02433	1.9
119.03484	1.2
119.05052	0.8
123.00859	1.6
133.06586	2.2
141.01926	6.9
147.04547	1.2
149.06088	0.8
161.06042	2.2
162.44104	0.6
163.04005	1.0
165.12851	0.7
170.19551	0.5
175.04030	0.9
183.13919	3.3
185.00897	77.8
186.01247	2.5
193.05008	0.7
203.01932	5.0
205.04999	1.6
219.02908	1.0
221.59456	0.6
227.12877	3.2
263.02014	0.6
369.09769	0.8
413.14468	8.7
413.21417	4.4
414.14752	1.1
420.89230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29641	0.4
59.01375	100.0
60.01703	0.9
61.98830	3.5
69.35802	2.3
71.01374	3.7
73.02943	1.8
83.01380	0.4
85.02946	0.9
87.00904	0.9
89.02440	2.8
101.02449	3.3
113.02438	1.7
119.03528	1.2
123.04591	0.4
125.66959	0.3
131.03401	0.4
134.67812	0.3
146.49562	0.3
161.04605	0.7
192.00676	0.5
256.55478	0.4
265.14584	0.5
266.05753	0.4
308.03140	2.0
309.04007	0.7
310.04742	2.2
319.90115	0.3
323.05606	1.6
351.05133	0.9
369.06314	1.2
372.67133	0.4
395.04196	2.4
400.34177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
57.38408	0.4
59.01376	100.0
60.01712	0.8
65.25029	0.4
69.03449	1.4
69.50238	2.4
71.01385	10.0
73.02946	9.6
75.00869	0.8
78.64703	0.5
83.01393	2.2
85.02947	2.0
87.00874	1.3
89.02448	2.9
95.01368	0.6
97.02960	0.8
99.00900	0.5
101.02438	8.0
113.02428	4.6
119.03493	0.8
119.89426	0.4
121.02945	1.9
131.03508	1.0
141.01953	0.8
149.06096	1.5
160.01659	0.8
161.04594	1.4
173.04514	0.7
175.04076	1.9
193.05132	0.7
203.02042	2.0
239.12889	0.7
393.23718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31393	0.5
57.03452	0.8
58.00576	0.6
59.01376	100.0
60.01706	1.3
61.98822	5.0
69.03452	3.3
70.96376	1.4
70.96772	0.5
71.01377	14.3
71.05019	1.3
72.99319	1.3
73.02938	6.6
83.01402	2.0
85.02944	4.5
87.00882	1.9
89.02438	5.7
93.03468	1.3
97.02969	0.5
99.00879	2.2
101.02442	10.0
102.44920	0.6
113.02472	5.1
119.03517	2.1
137.02502	0.5
139.11317	1.9
143.03563	0.8
147.04552	0.8
149.06009	0.8
155.03625	0.9
161.04512	3.0
172.10588	0.6
173.04558	2.0
183.13922	0.8
185.00969	1.6
185.36740	0.6
191.05721	0.9
191.14374	0.9
193.05046	0.6
209.15460	4.5
212.30278	0.6
231.06540	0.8
327.25531	0.8
351.05200	0.7
353.19800	4.6
369.32434	0.6
371.20709	12.8
371.24927	1.0
372.21027	1.4
388.17459	0.6
413.12723	0.8
413.21674	8.6
414.22406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.10758	0.4
61.98827	100.0
63.00302	0.4
69.10138	0.4
69.58542	0.8
69.58955	1.6
71.01390	0.8
75.00873	0.5
82.02975	2.0
85.02950	0.5
87.00864	0.6
88.98773	0.5
89.02449	0.5
93.03470	1.1
98.02486	0.6
113.96090	0.5
126.01991	1.2
129.86952	0.4
130.08740	0.9
133.05046	0.6
173.04564	1.4
191.05560	2.1
239.09279	1.1
267.07202	0.6
267.09924	1.1
315.06219	0.5
325.06845	0.5
396.67523	0.5
410.34824	0.5
412.13629	2.7
413.14606	0.9
439.64786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.4
60.99300	6.9
64.19787	2.6
71.01371	13.8
71.52191	3.1
72.99301	24.7
75.00861	5.7
76.95833	2.1
78.95919	2.7
83.01366	4.4
85.02934	3.4
87.00869	9.6
89.02443	16.3
96.96004	8.7
98.95583	7.4
99.00857	8.6
101.02457	4.7
111.00892	5.8
112.98806	12.8
115.00360	2.8
129.01920	5.6
131.05055	4.8
133.01424	34.7
133.06587	51.7
134.06902	2.9
136.71962	2.3
142.99850	48.7
145.01395	2.9
147.04550	3.5
158.46925	2.5
165.04016	13.3
173.00880	24.3
177.05553	100.0
178.05862	6.7
191.05573	8.9
221.02863	7.7
221.04684	29.4
261.11392	3.8
263.19836	2.5
286.70041	2.5
413.09695	6.1
413.53705	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	413.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88390	1.2
61.98819	3.6
64.51515	1.3
70.83685	2.3
71.01369	1.7
86.60222	1.2
108.02171	60.5
109.02955	45.7
123.03622	2.6
123.04520	47.2
128.74396	1.5
131.05057	2.6
135.04498	1.4
145.02939	7.0
146.03732	3.0
147.04510	5.2
158.03726	5.8
159.04506	71.3
160.05043	5.5
161.02425	1.9
172.05328	12.1
173.04607	2.5
173.06056	15.2
175.03964	3.1
175.07611	5.0
201.05568	10.5
203.03539	1.5
219.06561	3.5
225.05539	2.2
233.08173	4.8
240.04292	2.7
241.05045	3.0
249.05521	2.6
251.07079	2.3
253.05078	3.1
254.05821	1.6
259.06097	2.0
265.05057	2.1
265.08615	2.3
266.05801	3.6
267.06592	16.7
268.07285	5.5
269.08081	2.3
281.05164	1.7
281.08173	19.4
282.08890	6.7
283.09772	18.4
292.07333	4.1
295.06210	6.4
297.11307	75.0
298.11539	8.0
309.07571	2.2
310.08600	2.1
325.10760	15.9
326.11166	1.8
327.08688	22.5
336.06296	8.5
337.07043	2.5
351.08673	6.8
369.09753	100.0
370.09930	10.2
413.08722	29.1
413.17776	2.6
414.08975	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	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
60.22881	0.3
61.98828	100.0
68.99851	0.3
70.81185	0.5
70.81500	0.4
71.01386	2.1
72.01730	0.5
73.02971	0.8
77.81164	0.3
78.95933	0.4
82.03000	1.0
83.49302	0.3
85.02950	1.2
87.00879	6.5
88.01223	1.3
89.02473	0.8
93.03473	0.5
95.01362	0.3
101.02467	1.2
111.00861	0.4
113.02451	0.8
122.06129	0.4
123.04489	0.4
126.01961	0.7
126.73609	0.3
130.08708	0.5
137.02396	0.3
145.03041	0.3
147.04520	0.3
157.92178	0.3
161.04565	0.7
163.03993	0.5
173.04494	1.7
176.01154	0.8
190.05115	0.3
191.03549	1.4
191.05635	2.6
199.07634	0.3
199.78172	0.3
239.09283	0.8
244.90370	0.3
255.77505	0.3
263.10135	0.3
267.09851	0.7
267.99893	0.3
280.14853	0.8
280.25879	0.3
349.13937	0.3
352.19565	0.3
353.18347	0.5
412.13397	0.9
412.19141	2.4
413.10074	0.5
413.14713	1.1
429.91394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71201	1.1
56.38555	0.9
57.03428	1.0
59.01376	8.2
61.98827	100.0
65.90240	1.0
68.99783	1.2
71.01365	4.2
71.54004	1.4
75.00825	1.3
85.02934	3.2
86.72822	1.1
87.00872	71.4
89.02434	1.6
93.03458	1.8
96.96002	1.2
96.98254	0.9
97.06585	2.7
101.02455	1.4
108.02168	1.6
109.02960	6.9
113.02454	1.4
113.50724	1.0
117.03439	1.2
119.05001	1.3
121.02944	1.2
122.85911	1.1
123.04453	1.1
130.99861	5.0
135.04515	1.4
141.97240	1.0
145.02954	6.7
146.03712	3.9
147.04517	5.3
149.06058	2.8
158.03682	2.1
159.04488	3.5
161.02409	4.1
162.03195	1.8
163.03969	1.7
165.04047	1.4
172.05252	1.3
173.04506	6.3
173.05943	2.4
174.03192	1.0
174.04814	2.1
175.03949	1.4
175.07597	4.3
185.05928	1.4
187.04027	1.8
188.04793	2.4
189.01904	1.3
189.09177	3.1
191.05566	2.5
193.05037	1.5
199.07631	1.1
201.09052	1.3
203.03481	1.1
203.07019	1.1
207.06566	1.9
214.06439	1.3
217.08717	7.6
217.12206	1.7
219.03014	1.3
219.06548	2.9
220.94208	1.0
227.03394	3.8
233.08205	8.1
233.11852	1.5
233.15356	1.4
239.07065	1.4
240.07838	3.7
242.05817	1.4
243.10252	5.2
244.07320	1.5
249.05618	1.6
251.07079	4.0
253.04990	3.0
259.09769	1.8
261.11359	7.2
265.08618	1.4
267.06595	5.5
268.07401	8.3
283.09747	6.1
309.07602	1.4
327.08701	45.1
331.08240	1.3
349.09238	16.5
350.09674	2.3
369.09790	38.8
412.16711	1.5
413.08670	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	412.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91738	0.6
59.01378	18.9
61.98828	100.0
71.01389	4.8
72.25031	0.7
73.02947	4.7
74.80974	0.5
83.01378	0.7
85.02926	1.0
87.00883	2.2
89.02454	1.8
90.33748	0.5
101.02431	4.6
103.27321	0.6
109.02937	0.7
110.00080	4.1
113.02474	2.3
123.04551	0.7
130.99940	0.7
137.02460	1.7
137.99632	1.1
143.03510	0.6
149.06065	0.7
154.64644	0.7
161.04691	0.9
165.99069	49.1
166.99464	1.9
172.49825	0.6
176.21495	0.5
181.01416	45.4
182.01775	2.3
184.51216	0.7
193.05089	0.6
199.02470	1.4
201.02014	0.7
213.04028	11.8
220.04695	0.6
237.64133	0.6
238.05692	0.8
250.73819	0.6
255.04999	1.0
256.75119	0.6
282.04901	0.8
293.04327	1.0
294.04959	2.2
310.04279	1.0
311.05563	4.2
312.06464	1.4
317.03015	5.5
338.03964	2.8
340.09052	1.0
349.05612	16.4
350.05923	0.9
353.06247	2.8
354.07193	1.1
368.08475	3.9
369.09619	3.7
397.09045	0.7
412.07474	2.0
412.11954	0.8
413.09006	3.0
413.13983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66350	1.2
59.01376	33.1
61.98827	100.0
64.49059	1.0
71.01366	4.8
73.02926	4.0
83.01368	3.1
85.02935	2.3
87.00858	2.6
89.02451	1.6
96.96004	2.1
98.20663	2.6
99.33713	1.3
101.02443	4.9
101.46207	1.3
108.69524	1.2
108.97452	1.2
109.02959	2.9
110.00080	4.7
113.02459	3.4
123.04538	1.6
136.98825	1.7
137.02449	1.6
137.99570	1.6
138.48692	1.2
149.06078	1.3
163.03957	1.3
163.92670	1.3
165.99059	54.7
166.99483	1.3
181.01414	44.5
182.01733	3.0
201.01689	1.4
202.02278	2.0
213.04010	10.6
232.49854	1.2
237.05521	1.7
238.05833	1.7
255.04919	1.9
266.05368	2.8
273.43292	1.3
282.04840	1.5
293.04358	1.5
294.04819	5.9
310.04166	3.2
311.05527	5.0
317.02902	7.6
322.04266	2.4
337.03253	1.7
337.07126	1.9
338.04041	6.4
349.05563	16.8
350.05957	1.5
353.06284	8.1
368.08542	12.9
369.09616	4.4
412.06821	6.0
413.08496	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
70.71271	2.0
70.71611	0.9
74.61200	0.8
154.93593	0.9
160.69965	0.8
300.27319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78306	0.6
59.01378	100.0
70.28650	1.9
144.59216	0.6
146.16946	0.7
200.74442	0.7
247.14912	0.8
278.37827	0.8
320.78348	0.7
384.21484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	17.4
57.03443	2.6
59.01378	18.8
59.50331	1.4
61.98825	59.2
63.32793	1.7
69.35537	3.5
69.35950	10.0
71.01382	16.2
72.30605	1.7
75.00872	6.9
83.05015	2.3
84.11227	1.5
84.12249	1.5
85.02956	9.4
87.00875	42.9
87.01380	3.1
89.02452	5.4
93.03458	5.0
95.05003	1.8
97.02921	8.5
97.06603	2.6
98.19890	3.7
101.02430	5.6
102.87418	1.5
105.07087	3.2
107.05058	2.5
108.05776	7.8
109.02943	5.2
109.06576	3.1
111.04541	8.7
113.02441	2.6
113.06121	11.1
119.05053	3.1
119.08685	3.2
121.06599	2.3
122.03744	7.4
123.04522	4.4
123.08140	9.3
125.06091	12.0
127.91060	1.9
129.01956	4.0
130.99863	7.2
133.02988	1.9
136.05327	6.4
137.02481	3.1
137.06090	6.1
138.06886	17.2
139.07652	33.2
145.02913	6.8
146.03722	2.0
147.03015	17.2
147.04463	13.6
148.05286	5.5
149.06071	8.2
151.06415	3.6
151.07643	65.5
152.04803	6.8
152.08432	28.4
153.09233	11.9
159.04506	1.6
159.11772	3.4
161.02318	2.7
161.09717	4.8
162.03197	3.0
163.04022	3.3
163.07661	7.2
167.07159	5.5
173.04532	7.2
173.05904	2.4
189.09212	2.8
191.05617	4.2
193.05064	4.8
201.12859	17.4
203.10754	5.8
204.11537	26.3
205.12007	2.5
207.10448	2.0
217.08650	5.2
218.09235	2.4
219.13890	53.1
220.14352	4.2
254.04366	3.9
261.11481	3.7
263.12860	71.1
264.13245	6.2
348.08136	3.7
349.09158	10.1
411.12613	4.5
411.16635	100.0
412.12201	1.9
412.16644	10.7
419.97366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50490	0.8
52.18751	0.7
57.03447	2.1
57.71243	0.7
59.01378	12.9
61.98826	6.8
67.01897	0.9
68.99812	1.5
69.03471	2.1
69.84921	3.3
71.01381	17.1
71.05016	7.8
72.00926	0.8
72.99299	3.4
73.02946	2.1
75.00869	11.1
78.53392	0.7
78.95914	2.6
83.01393	0.8
85.02946	13.2
87.00864	7.3
87.04504	3.7
89.02438	3.9
93.03466	1.2
95.01404	3.2
96.96008	2.0
96.96949	4.8
98.19995	1.4
98.60876	0.7
99.00866	7.9
99.04520	20.0
101.02417	2.3
103.00377	1.6
103.04046	0.8
109.02943	0.9
113.02454	12.7
115.00363	1.1
115.04016	14.6
115.07666	1.3
117.01926	1.3
117.05575	15.8
119.03522	0.7
119.05060	0.9
125.02446	1.6
129.01924	1.1
131.03447	1.0
135.03001	9.4
135.04538	2.6
139.70763	0.7
147.06642	2.0
149.06068	0.9
159.04501	1.1
161.08195	100.0
162.03122	1.0
162.08546	3.5
163.04008	3.1
175.02539	1.3
175.03992	0.8
187.04057	1.2
191.02023	0.7
191.03490	5.0
191.05324	1.2
205.05025	1.7
206.02199	2.5
219.02943	1.1
231.05040	1.7
249.06142	78.1
250.06479	4.3
263.05612	2.3
266.04407	1.2
267.07132	3.6
278.19360	0.7
279.04996	6.7
285.44769	0.8
312.37650	0.7
323.07709	2.7
367.12460	2.8
411.05530	2.7
411.14996	48.4
412.15512	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1268
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01877	0.6
59.01375	5.1
60.04756	0.5
61.98838	3.0
62.65937	0.6
64.41859	0.6
69.03451	0.7
70.07449	2.6
71.01388	4.9
72.00906	26.3
73.02948	1.8
74.02472	13.9
74.02859	1.1
78.95925	0.7
82.02982	0.7
85.02947	2.4
87.00876	4.5
89.02441	3.0
93.03476	1.0
97.03056	0.5
99.00892	1.0
100.00405	37.3
100.04041	3.0
101.00753	0.7
101.02451	4.2
113.02447	1.6
118.05102	100.0
119.04903	0.6
119.05479	1.7
125.02436	4.8
126.02866	0.6
126.28937	0.6
134.04738	1.2
144.03020	35.5
145.03235	0.9
149.04475	0.6
151.36923	0.6
159.04488	1.2
160.02675	4.1
161.04562	1.8
161.05968	1.2
163.04076	1.4
185.06081	0.9
203.07076	5.1
254.15645	0.7
279.14520	4.2
292.13901	0.6
411.13269	1.9
411.18671	7.7
412.18991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73123	0.5
57.03448	1.0
59.01367	3.9
61.69938	0.4
61.78634	0.4
61.98830	20.0
67.01892	0.7
69.03434	1.0
71.01382	1.3
73.02936	0.8
78.78848	0.6
83.04987	1.3
85.02943	1.8
87.00857	3.9
89.02454	0.8
93.03455	3.7
103.05508	2.4
105.07087	1.7
109.03001	0.5
111.04522	3.4
115.04028	0.5
115.05525	0.9
119.05003	1.9
121.02964	1.1
123.04480	0.7
129.01950	0.6
130.99860	1.3
131.05006	2.5
133.06583	4.1
134.03700	1.1
137.02472	1.1
139.07654	1.7
145.02919	0.6
147.04521	3.5
148.05202	0.6
149.06046	2.3
155.03499	2.7
163.03989	1.2
163.07631	0.6
165.05595	0.6
166.02716	0.5
168.07849	0.5
173.04549	8.9
175.04085	0.5
177.05492	1.1
177.09238	0.6
179.07120	1.0
188.04791	0.5
191.05522	1.1
193.05095	1.3
193.08711	0.5
205.12225	0.6
207.10211	0.6
217.08534	0.6
222.05374	0.9
232.42276	0.6
237.07678	100.0
238.08037	5.4
254.04366	1.0
255.05090	0.8
279.12405	1.1
285.11435	0.5
349.09329	1.8
379.06705	0.6
411.12881	5.3
411.21860	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.04960	1.2
65.00321	3.2
67.62253	1.2
71.02513	2.1
71.02832	2.1
72.65105	1.3
82.00607	2.1
83.15057	1.5
85.02976	1.2
87.00897	2.5
87.04512	3.2
88.98833	1.6
95.01392	2.8
110.00091	20.4
111.00877	5.0
113.02467	2.0
121.02921	6.9
122.03722	1.6
123.00864	2.5
136.98795	5.8
137.02440	4.5
137.99577	2.8
139.00352	17.5
139.11307	2.4
140.01164	17.0
141.99083	1.8
147.00929	1.3
147.04550	2.5
155.03503	17.8
159.04549	1.3
161.02417	9.1
163.03987	2.1
164.98338	1.6
165.99074	40.6
166.99852	15.3
168.00653	5.1
171.04550	3.2
172.05290	7.6
173.06013	2.5
181.01422	25.4
181.02911	2.4
182.01764	1.8
183.04533	1.4
185.06123	1.5
186.03235	1.9
187.03999	5.5
191.03458	1.3
199.04039	5.1
199.07651	2.0
200.04813	4.4
200.08418	3.5
201.05559	1.7
201.09213	11.0
213.05569	5.2
225.01836	1.5
227.03494	3.5
227.07205	1.5
228.07851	8.9
229.08682	67.9
230.09143	5.0
231.06696	2.0
243.03137	2.8
255.02931	2.3
255.06618	4.2
259.79367	1.3
267.06561	1.8
268.07361	2.1
269.07983	1.7
271.02582	5.2
280.03192	1.4
283.28558	1.6
293.08063	1.6
295.06290	1.6
296.03220	1.7
299.01956	9.9
307.02515	2.9
309.07715	2.3
314.04221	10.6
324.02905	4.1
325.03372	2.1
335.01932	1.6
339.05081	3.2
350.08014	4.2
351.08698	2.2
353.02939	5.4
353.06839	5.6
367.08167	3.9
368.09082	3.4
378.07565	5.3
379.08279	8.4
383.11218	17.7
384.11749	4.0
393.15845	1.5
396.08463	36.4
397.08917	6.0
411.10907	100.0
411.16483	12.9
412.11240	16.4
412.16727	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	411.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15856	0.5
71.53643	0.6
75.54102	0.5
100.87363	0.5
110.90495	0.5
132.01970	0.5
136.98610	0.7
142.04041	1.1
145.02742	0.6
147.00697	0.9
158.03482	1.6
160.74535	0.5
161.02254	0.7
169.02789	0.6
170.03459	1.8
171.04291	0.5
173.02209	0.7
174.03127	0.8
185.02301	1.2
186.03180	4.3
187.03574	0.8
192.52063	0.6
198.03210	7.9
199.03644	0.8
200.01105	3.9
201.01733	1.0
202.02376	1.1
213.01683	1.7
214.02669	10.1
215.03050	1.5
225.01668	1.7
226.02682	9.8
227.03101	1.9
241.01405	3.9
242.02165	10.7
243.02657	1.3
253.01208	0.7
254.01950	1.8
255.02742	0.7
269.00943	4.3
270.01691	13.8
271.02353	3.9
285.03851	2.0
297.00424	2.3
298.01147	17.9
299.01859	4.9
313.03387	2.7
314.04214	3.0
324.05945	0.7
340.09247	0.7
352.09677	0.5
395.07773	1.2
396.08444	76.5
397.08875	8.8
406.79340	0.4
411.10825	100.0
412.11136	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	411.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78683	0.8
59.00026	0.8
65.00323	5.1
68.99815	1.4
69.41999	7.1
71.25394	0.8
82.00636	1.3
87.04504	2.8
95.01387	2.0
109.80174	1.0
110.00092	18.5
111.00867	3.8
123.00891	1.5
124.98808	1.0
125.99538	1.4
136.98814	4.8
137.02438	1.6
137.99561	2.5
139.00368	12.5
140.01132	11.6
141.99005	1.0
146.03726	2.5
149.23589	1.0
152.01129	1.3
153.01907	0.9
155.03490	18.8
159.04527	1.9
164.98296	4.2
165.99065	48.9
166.99857	12.5
168.00583	2.4
171.04469	0.9
172.05276	6.4
173.06033	3.9
174.03185	3.9
175.07605	1.9
180.00606	2.5
181.01414	30.3
185.06082	4.9
186.06718	1.3
187.07617	4.8
192.00685	2.1
196.05327	1.3
198.03085	1.3
199.04004	5.8
199.07658	3.0
200.04774	27.2
200.08400	2.2
201.05518	8.0
201.09227	3.4
203.07109	8.2
207.02991	3.7
211.03873	2.1
212.04601	1.0
213.05536	11.7
214.06203	1.4
215.03526	1.5
215.07074	2.0
224.04744	1.4
227.03589	2.3
227.07143	3.2
228.07883	11.6
229.08667	46.0
230.09006	3.6
239.03462	2.7
240.04337	2.4
243.02937	1.0
251.03592	0.9
253.05067	1.8
253.08583	1.2
255.03011	0.9
255.04179	1.0
255.06606	7.4
266.05972	0.9
267.02896	1.2
268.03659	1.5
269.08334	1.2
271.02414	2.1
279.03046	1.0
279.06552	2.1
290.01398	0.9
295.05966	1.8
296.03186	1.7
297.07681	1.9
299.02017	3.7
307.02539	1.2
307.05936	1.0
309.04144	1.2
321.04196	1.4
321.07727	0.9
323.01968	1.9
323.05588	1.3
323.09116	1.7
324.02719	71.6
325.03122	7.5
335.05640	2.6
337.03183	1.1
337.06931	1.4
338.04260	2.6
339.05063	100.0
340.05457	10.2
349.02866	0.9
349.07056	1.6
350.08093	2.2
352.05902	12.3
353.06561	6.8
354.07153	1.0
366.03534	1.2
367.04349	6.0
367.08221	13.3
367.12427	1.3
368.04892	1.4
368.08807	7.7
378.07352	3.6
379.08127	3.3
381.05975	3.4
382.06900	3.4
393.10031	1.3
396.08459	12.1
397.08835	2.5
411.10812	81.4
412.11197	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	409.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71169	7.5
57.03445	13.0
57.44883	9.3
58.78898	7.0
59.01376	100.0
61.98824	39.2
71.01376	20.9
71.54341	9.6
73.25864	8.2
75.37003	7.5
85.02966	17.4
87.00848	25.4
88.98828	14.1
89.02435	10.7
89.96792	8.2
101.51189	9.0
110.02465	21.9
115.00334	8.4
145.02968	11.0
149.06097	8.0
173.04588	8.4
173.06015	13.3
191.03502	17.2
191.05611	9.1
205.12289	29.1
217.08621	11.8
227.07050	9.4
235.13396	79.7
263.09164	33.4
347.07654	30.1
409.11102	12.2
409.19788	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
58.00584	1.6
59.01378	100.0
60.01697	0.8
61.98790	1.1
69.58681	2.6
69.59115	2.6
71.01380	27.9
72.99303	1.8
73.02927	4.0
83.01367	2.3
85.02951	6.6
87.00882	1.2
89.02444	28.0
89.02998	1.4
95.01388	1.8
95.77862	0.7
99.00863	2.1
101.02441	21.4
113.02441	12.8
114.02723	0.8
116.54060	0.7
118.26225	0.8
118.44442	0.8
119.03496	9.9
131.03502	1.9
143.03505	4.8
159.02927	1.0
161.04567	12.7
176.13040	0.9
179.05595	9.4
187.13470	5.1
244.90877	0.9
278.58441	0.8
349.18658	52.6
350.18951	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	411.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23250	0.4
55.63713	0.4
57.11173	0.4
58.16251	0.4
59.05661	0.4
65.00284	0.9
69.36781	3.2
70.44430	0.4
76.47428	0.4
89.36435	0.4
100.87486	0.5
119.01327	0.5
121.01050	0.4
130.04222	0.4
136.98752	1.0
142.04166	0.9
145.02872	0.8
147.00775	0.5
154.04193	0.5
158.03656	1.4
170.03709	2.3
172.01614	0.8
174.03136	0.9
182.03596	0.5
185.02357	1.4
186.03207	4.1
197.02362	1.2
198.03200	8.6
200.01134	3.5
201.01833	1.6
202.02701	0.8
213.01930	2.5
214.00644	0.7
214.02696	11.3
215.03053	0.6
216.00569	0.4
225.01830	1.4
226.02692	10.5
227.03122	1.2
235.85951	0.5
241.01357	4.4
242.02173	10.9
243.02699	0.7
253.01450	1.1
254.02104	2.9
269.00903	4.3
270.01657	16.9
271.02029	1.3
285.03870	0.6
297.00369	2.7
298.01151	21.6
299.01682	1.9
309.03894	0.5
313.03534	1.4
340.09531	0.6
352.09406	0.5
395.07809	1.3
396.08441	85.1
397.08792	10.0
411.10809	100.0
412.11145	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	411.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.7
69.95460	1.8
69.95855	1.0
87.12943	0.6
91.94982	0.6
98.19947	0.8
110.00043	0.6
117.66608	0.6
119.01401	0.7
125.17292	0.6
133.02901	0.6
135.34160	0.6
136.98801	0.8
143.05038	0.9
147.00847	1.4
158.03734	1.3
159.04532	0.6
161.99663	1.3
163.00343	0.6
170.03706	1.6
171.04544	3.2
171.05922	0.6
174.03275	1.2
183.04488	1.1
186.03206	3.2
187.03984	1.3
189.01970	0.7
197.02475	1.0
198.03214	6.7
199.04027	4.2
200.01152	2.9
201.01886	1.3
202.02676	0.9
213.01900	2.1
214.02707	7.5
215.03438	2.4
225.01866	1.7
226.02705	7.2
227.03481	6.6
241.01434	2.6
242.02180	7.3
243.02998	5.1
253.01469	1.7
254.02071	1.2
255.02933	4.3
269.00912	2.5
270.01685	14.2
271.02408	11.8
272.02835	0.9
285.04080	2.9
297.00394	1.3
298.01181	20.9
299.01935	18.1
300.02298	1.8
313.03500	8.3
314.04303	10.3
315.04523	0.8
386.57294	0.7
396.08463	58.1
397.08817	6.7
411.10837	100.0
412.11200	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	411.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00299	1.3
84.45245	0.4
91.03897	0.5
91.36041	0.5
119.01376	0.8
136.98714	0.7
142.04205	0.9
145.02921	0.5
147.00847	0.7
158.03645	1.9
161.02431	0.9
169.02934	0.9
170.03732	2.0
173.02325	0.5
174.03059	1.0
174.68967	0.5
182.03677	0.7
185.02409	1.1
186.03191	5.4
187.03586	0.6
189.01884	0.6
197.02455	1.1
198.03204	10.1
200.01129	3.7
201.01863	1.8
202.02780	0.8
213.01974	2.8
214.02702	13.2
215.03033	1.2
225.01964	2.5
226.02702	9.9
229.01299	0.6
241.01448	3.8
242.02171	12.3
243.02562	0.6
245.00879	0.5
253.01428	1.0
254.02115	1.9
255.03036	0.6
269.00906	4.6
270.01672	17.0
271.02094	1.7
274.01068	0.8
285.03986	1.5
297.00296	1.8
298.01166	25.2
299.01547	2.6
313.03430	2.3
324.06500	0.6
340.09543	0.7
352.09753	0.6
395.07617	1.5
396.08466	87.0
397.08731	10.1
411.10825	100.0
412.11148	12.4
412.16586	0.7
422.39099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.1
69.50940	3.4
91.02351	0.4
91.98245	0.4
100.87589	0.6
119.01421	0.7
136.98813	1.2
142.04327	0.6
147.00902	0.8
158.03725	1.7
161.02440	0.6
161.99588	0.6
169.02902	1.1
170.03700	2.5
171.04512	1.3
173.02434	0.7
174.03229	1.3
182.03813	0.7
186.03206	4.4
187.03955	1.3
189.01962	0.8
197.02472	1.3
198.03209	8.2
199.03925	2.6
200.01129	3.2
201.01952	1.9
202.02641	1.6
213.01945	2.0
214.02722	9.7
215.03358	1.9
225.01915	1.7
226.02711	10.7
227.03461	3.6
241.01408	4.3
242.02177	9.2
243.02875	3.8
253.01314	0.8
254.02098	1.7
255.02937	3.2
269.00858	3.9
270.01666	18.9
271.02414	7.8
274.01144	0.6
281.04510	0.6
282.01599	0.8
285.03983	4.5
286.04764	0.7
297.00330	2.2
298.01141	23.7
299.01917	12.3
300.02335	1.0
313.03528	11.8
314.04269	8.3
396.08472	66.3
397.08810	6.3
411.10815	100.0
412.11179	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	409.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
56.96315	0.6
57.03443	1.6
57.49460	0.5
57.79326	0.6
58.00596	2.3
59.01377	76.8
60.01716	1.0
61.98831	4.7
69.03469	1.6
70.11178	1.7
70.11542	1.0
71.01379	62.5
72.01711	0.8
72.99312	2.8
73.02944	22.1
75.00879	1.8
78.95885	0.8
81.03451	1.1
83.01380	4.1
83.05061	0.6
84.73847	0.6
85.02949	11.8
85.54829	0.6
87.00871	4.3
89.02441	100.0
90.02791	1.7
92.72746	0.5
93.03472	3.7
95.01369	2.7
96.96010	11.6
96.96970	1.1
97.02925	3.0
99.00381	0.6
99.00877	29.6
101.02438	45.7
105.67912	0.6
110.94373	0.5
111.00909	0.8
111.04491	0.9
113.02444	15.2
115.04034	1.2
116.95036	0.5
117.01940	0.7
119.03496	5.8
120.00680	0.6
121.02966	1.1
122.03732	1.3
123.04501	0.6
125.02447	10.5
126.02752	0.7
131.03497	20.5
136.01683	0.7
137.02480	2.7
137.72765	0.5
143.03502	2.1
145.42130	0.7
149.02477	5.4
149.04547	59.7
150.03230	14.1
150.04979	1.9
151.03857	0.6
155.03473	0.7
159.02916	0.9
161.04558	8.2
164.04814	1.2
165.01889	0.6
165.05559	19.3
165.06894	1.3
166.05945	1.3
173.04547	10.9
173.06004	0.8
179.05647	1.0
180.04353	1.1
191.05608	14.9
195.06595	5.4
198.10091	0.6
221.06679	2.0
233.06706	1.6
251.07660	4.5
275.71194	0.7
277.12900	14.0
278.13412	0.9
281.08752	0.8
285.07819	0.8
286.08191	0.7
293.08798	1.4
301.10858	1.8
311.07394	3.2
349.15024	4.7
349.18661	1.1
361.12909	5.9
362.13400	0.7
365.14374	1.7
409.17197	31.2
410.17770	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	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01366	0.7
61.98826	0.4
62.44033	0.3
68.99570	0.3
78.95898	100.0
96.95988	0.6
96.96955	8.9
107.78799	0.4
129.05957	0.3
150.98003	1.7
152.99571	84.0
153.99872	0.9
171.00627	68.7
172.00954	0.8
229.22527	0.4
325.18188	0.8
367.22809	0.3
407.21890	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	408.0427
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
58.00615	0.4
59.01380	12.1
61.98823	0.8
63.96234	0.7
71.00846	0.8
71.01378	6.4
73.02946	1.7
74.83829	0.5
74.99096	45.6
75.99444	0.5
78.95859	0.4
79.33911	0.4
79.87403	0.4
79.95737	13.5
80.96524	2.8
83.01396	0.7
85.02956	3.9
87.00886	0.9
89.02437	6.0
93.03465	0.8
94.07105	0.4
95.95232	50.6
96.96009	100.0
99.00887	1.7
101.02419	4.3
113.02441	2.0
119.03512	1.3
122.03765	0.6
125.02424	1.6
131.03542	0.9
138.97075	1.1
144.25333	0.5
145.05132	0.5
149.02448	1.2
149.04553	2.4
150.03183	3.7
157.35498	0.5
161.04573	1.1
165.05560	5.6
166.03308	4.4
173.04530	2.0
191.05626	0.9
195.03325	1.2
195.06534	1.0
212.00192	1.6
214.98529	0.6
259.01184	3.0
274.98944	1.0
277.12842	0.8
301.11044	0.6
361.12839	2.2
408.04263	54.0
409.04559	5.2
409.17081	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74299	0.4
59.01379	4.4
69.62160	1.8
69.62560	0.9
71.01380	3.0
73.02943	3.7
78.95902	46.8
79.95718	1.8
83.01389	0.9
85.02922	0.7
85.39345	0.4
87.00873	0.8
89.02452	1.6
93.03426	1.3
96.96004	78.4
96.96951	100.0
98.20620	0.9
99.00865	0.8
101.02443	3.2
113.02443	0.6
119.04897	0.5
125.02416	0.6
134.38976	0.4
137.02419	2.9
142.99828	0.8
145.02943	2.2
146.03679	0.8
147.04527	1.2
149.04576	2.0
161.02504	0.6
161.04523	0.8
173.00890	0.6
173.04482	0.9
191.03760	0.4
191.05598	1.6
235.02483	1.4
288.86783	0.5
311.07736	1.8
365.14517	2.9
400.36429	0.5
409.07562	2.9
410.09354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
56.01930	0.8
57.03443	2.2
58.00598	1.0
58.02970	1.6
59.01376	100.0
60.01707	1.6
60.95715	0.8
61.98820	3.1
64.72495	0.8
68.99801	1.1
69.03432	1.5
71.01377	25.8
71.53973	1.1
72.99314	2.3
73.02953	5.0
74.02467	4.4
75.00865	3.1
82.02959	0.8
82.95409	1.2
83.01391	2.5
85.02941	12.2
86.02451	1.6
87.00877	6.5
88.98775	1.1
89.02438	25.2
93.03452	2.2
95.01352	1.3
97.06637	1.0
99.00872	4.4
99.04515	1.1
99.05655	3.1
101.02436	18.2
102.05595	1.2
104.03395	0.7
113.02448	15.6
119.03506	10.0
119.04997	1.1
123.04522	0.9
124.04006	0.8
125.02442	1.2
128.03546	8.1
129.01845	1.3
129.03888	2.5
131.03522	2.1
133.06841	1.4
135.04474	1.1
135.05536	0.8
136.01585	1.0
137.02464	1.9
143.03458	2.5
143.04619	10.5
144.04968	3.1
146.04558	1.2
147.04573	2.6
149.04558	2.1
149.06044	3.5
149.09706	1.6
150.03221	1.5
151.03989	3.0
157.08690	3.4
159.03017	0.9
159.04483	1.8
159.82803	0.8
161.02414	1.2
161.04567	9.4
161.05986	1.4
163.03960	1.1
165.05544	2.2
173.04562	1.3
173.06004	1.3
177.05502	1.0
179.05713	6.2
180.04860	1.2
187.03868	0.9
191.05557	1.1
193.05055	1.4
195.06664	1.5
197.05919	0.8
203.12935	1.0
210.08742	1.8
211.09225	1.4
211.11417	0.8
221.04446	0.9
245.17516	1.7
247.07434	1.9
249.06036	3.1
254.07741	3.9
255.08127	4.4
263.07141	1.1
267.07083	2.4
272.08850	2.5
273.09143	4.8
283.02271	1.2
291.06589	1.5
299.05579	1.3
301.10672	1.2
347.12939	1.0
347.16992	17.2
348.17203	1.0
363.05026	2.5
365.18155	2.5
389.15546	1.8
407.04041	1.7
407.09720	1.3
407.15289	14.0
407.23560	1.3
408.16315	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	409.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26405	1.7
55.01873	2.1
56.11303	1.7
59.01378	100.0
61.98822	4.3
62.38623	1.5
67.38242	1.5
68.32778	1.5
69.03461	3.2
69.99712	2.4
70.00102	5.5
71.01380	58.9
73.02946	83.4
76.90784	1.6
83.01385	25.4
85.02961	8.0
87.00883	6.7
89.02438	13.6
99.00884	3.4
101.02440	60.2
106.23582	1.6
113.02443	12.0
115.07635	1.6
119.03523	5.5
122.82822	1.7
125.02425	3.0
131.03473	2.5
139.24969	1.7
143.03477	3.3
146.03798	1.9
147.04515	1.5
149.04509	1.7
149.06081	1.5
159.04559	2.3
161.02444	2.1
161.04526	15.8
169.86104	1.6
173.04538	2.0
179.05629	2.2
184.35439	1.6
191.33025	1.7
203.03464	2.4
206.11148	1.7
207.06653	1.7
285.12347	1.8
288.04053	1.6
349.18542	12.6
365.14502	78.2
366.14862	8.1
409.12827	3.5
409.21039	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	406.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46157	1.0
59.01375	1.4
61.98829	100.0
66.81079	1.1
70.27865	1.0
71.24016	1.4
71.24371	1.8
87.00881	1.7
96.96003	2.9
96.96973	2.0
99.92591	3.5
115.92057	5.4
116.92856	4.0
123.23022	1.2
128.13452	1.3
235.75481	1.3
362.27753	1.5
369.50757	1.1
389.10831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98826	100.0
72.09367	1.4
87.00842	1.4
90.38441	1.3
96.96000	4.0
98.20851	2.0
209.40654	1.3
229.75558	1.2
229.77798	1.6
247.32901	1.2
349.07053	1.8
356.27173	1.3
407.11469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
59.53516	0.5
61.98817	1.5
69.03443	0.7
70.19532	0.8
70.19925	1.0
71.01372	0.9
73.02943	0.7
79.95733	32.5
80.86254	0.4
80.96529	3.4
85.02941	4.2
87.00873	4.3
93.03456	0.5
95.41830	0.5
95.95228	5.3
96.96005	100.0
97.06593	1.4
99.00862	0.5
101.02386	0.4
113.02482	0.4
121.02927	0.5
123.04556	0.8
130.99821	0.9
135.04535	1.0
145.02969	0.5
147.04501	1.7
149.06064	0.7
163.03990	0.8
164.98636	1.5
171.10280	6.7
173.04610	0.5
173.06055	0.8
174.03133	0.7
175.03955	0.7
177.05540	0.8
183.13916	0.6
190.02783	0.5
193.05019	0.7
201.11400	0.6
209.11745	0.5
211.13356	5.6
212.13617	0.5
214.85753	0.5
221.11771	1.2
229.14432	9.3
230.14699	0.8
235.06410	2.3
239.12851	1.0
291.19730	0.7
309.10236	0.5
309.20840	0.5
310.06924	0.6
310.21567	0.5
327.21747	9.6
328.22018	1.0
337.09839	0.7
407.17416	98.1
408.17770	11.7
415.60190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93678	0.4
57.03452	0.8
59.01376	100.0
60.01711	1.4
60.66590	0.4
61.98827	1.4
69.03468	0.5
69.59425	2.1
70.47738	0.4
71.01374	5.2
73.02952	2.2
75.00871	0.9
77.32011	0.3
83.01394	0.8
83.78012	0.4
85.02943	3.6
87.00861	1.8
89.02460	1.5
93.03474	0.9
95.01385	0.7
97.06635	0.5
98.20661	0.3
99.00903	1.7
101.02431	5.0
102.02798	0.4
109.02950	0.4
111.00863	0.5
113.02470	2.0
119.05052	0.5
119.11873	0.3
125.02477	0.4
130.59534	0.3
132.03052	0.8
137.02502	0.8
147.04552	0.9
149.06123	1.1
159.03038	0.6
161.02406	0.4
161.04529	2.8
173.04573	0.5
173.05966	0.4
176.04878	0.4
177.05600	0.4
181.81677	0.4
185.11853	0.9
191.03455	0.4
191.05453	0.4
201.31490	0.4
226.10527	0.4
231.10435	0.4
347.17081	19.2
348.17465	2.1
363.16425	0.4
365.18179	0.5
389.25873	0.6
391.16443	0.7
407.14581	0.7
407.19095	3.7
407.26773	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	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89258	15.2
58.81603	18.4
59.01385	53.6
61.66203	16.5
61.98820	100.0
70.44405	52.0
70.44754	17.7
80.04841	15.8
96.96004	39.4
96.96933	20.3
142.84406	15.2
212.78024	17.6
283.27307	16.7
286.62967	18.8
398.63196	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	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19732	22.2
57.02032	25.5
59.01371	74.3
61.98832	100.0
67.26553	18.1
69.49748	92.2
161.84668	24.3
168.45433	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01700	1.0
61.98830	9.9
65.15430	1.0
71.53685	1.8
77.36968	1.0
78.95907	2.6
91.03962	1.3
96.96996	1.6
98.62605	1.0
100.66129	1.1
133.02937	2.7
172.22267	1.0
271.22830	2.4
281.04523	2.5
293.04474	1.2
342.58017	1.2
405.17273	7.9
406.17383	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	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73670	1.0
56.10521	1.1
58.02976	14.0
59.01379	50.8
61.98824	4.6
66.03481	1.5
69.03445	1.1
71.01380	18.8
71.53932	1.8
72.99320	2.6
73.02950	3.6
74.02471	26.6
75.00867	3.1
75.81438	1.0
81.04587	1.4
82.02994	3.5
83.01380	1.4
84.04555	1.6
85.02946	10.0
86.02482	12.8
86.06132	1.5
87.00859	5.3
87.05668	5.8
89.02451	13.2
93.03468	1.1
95.01367	1.4
95.06101	1.3
96.04597	1.8
96.96050	1.4
97.04077	5.0
99.00836	2.4
99.05642	26.0
101.02442	8.7
101.07252	2.6
102.02796	1.3
102.05598	5.3
107.06170	1.8
109.04082	4.9
111.05636	2.4
112.04015	2.9
113.02440	9.3
116.78593	1.2
119.03514	5.0
123.04527	1.1
123.05637	3.1
124.04010	1.6
124.07652	1.1
125.02512	1.4
125.03582	4.9
126.04376	1.5
127.05132	5.3
128.03537	71.8
129.03889	2.2
133.06946	16.0
134.03705	3.1
135.05646	7.8
136.01637	7.1
137.07199	2.1
141.06718	4.1
143.04622	100.0
143.07054	2.9
144.05000	2.7
145.06190	3.6
146.04597	11.6
147.04535	2.7
149.02417	2.0
149.06020	5.7
150.03227	5.2
150.06378	1.5
151.03989	10.8
153.06723	5.4
155.08261	1.5
157.08691	5.1
161.04550	5.1
165.05466	5.4
166.09840	3.6
166.46579	1.2
167.04596	3.7
167.08229	6.0
170.03357	2.3
171.04121	1.7
173.04517	2.4
179.04584	19.8
181.04948	1.6
181.06306	1.7
185.05724	2.4
191.05484	1.2
192.07774	4.3
193.05009	1.5
195.06572	3.2
197.05724	4.8
210.08846	21.3
221.72574	1.1
228.09802	1.4
239.04506	2.0
247.07680	1.2
249.06238	4.1
254.07828	43.0
255.08208	2.9
260.02890	1.7
272.08865	51.3
273.09238	3.9
277.12219	5.4
308.07468	7.2
331.12823	1.3
347.17136	4.4
359.11301	1.7
365.18195	2.2
388.15509	11.8
406.16586	82.2
407.15567	23.2
407.23358	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	406.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65797	1.0
59.01372	2.7
61.98827	100.0
69.86156	4.1
78.04516	1.0
82.80949	1.1
96.96029	2.3
99.92542	2.1
100.92560	1.2
103.09417	1.2
113.65285	1.1
116.92838	1.5
332.12427	1.3
406.09946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85680	0.6
58.34435	0.7
59.01383	3.5
59.62379	0.7
60.99303	14.5
61.98825	5.9
62.36175	0.6
71.01360	1.6
71.54498	1.0
85.02946	0.9
87.00867	1.7
88.98802	100.0
89.99130	1.1
92.33192	0.8
101.02444	0.7
101.52041	0.6
113.02416	0.7
118.32663	0.7
133.02930	1.2
135.04672	0.9
137.02380	1.3
145.02960	0.8
145.46021	0.7
147.04478	0.9
148.05275	2.0
149.05737	1.2
173.04601	1.0
173.06053	1.4
177.05505	0.9
188.04803	0.7
191.05559	1.1
193.04890	0.9
199.07658	1.2
211.13309	1.2
255.02988	1.2
263.07751	0.8
264.08273	1.6
265.08258	0.7
271.02429	3.5
283.53122	0.8
285.14984	1.0
300.02719	7.6
315.05060	7.0
387.27295	1.0
405.28345	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	405.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03448	3.0
59.01379	72.4
59.27914	1.2
61.98834	8.2
67.01870	1.2
69.03420	1.4
70.96150	2.3
71.01379	26.4
71.05009	1.2
72.99301	3.2
73.02936	4.5
75.00867	2.7
76.40444	0.9
78.95879	1.7
82.82450	1.1
83.01382	3.8
85.02938	10.8
87.00861	5.7
89.02446	22.0
93.03439	2.9
94.06618	10.5
95.01377	1.4
95.03790	1.3
95.05025	2.1
96.04543	2.7
96.96014	2.5
97.01640	1.3
97.02930	1.4
99.00875	2.5
101.02438	17.3
108.04556	5.1
111.00889	8.4
111.04534	1.4
112.04049	2.2
112.91051	1.2
113.02461	11.3
119.03510	12.0
121.04559	2.0
121.05349	24.6
122.06125	100.0
123.03257	1.9
123.04543	1.7
123.06458	2.9
124.04018	2.0
124.07682	6.6
129.01952	2.3
131.03493	1.2
134.06142	1.2
136.04007	3.7
137.02472	1.2
138.05602	2.7
139.00360	4.1
141.01886	1.9
141.05539	1.3
143.03485	3.0
148.04066	1.1
149.04626	1.2
149.06068	3.4
150.05540	2.0
153.04324	19.5
153.09279	1.7
154.00929	1.4
155.01706	1.2
159.03018	1.6
161.02425	1.3
161.04576	7.4
163.04051	1.3
166.05048	3.3
173.04564	5.0
174.09238	2.4
178.05168	1.9
179.05612	4.0
191.05611	3.3
202.12396	2.6
209.02979	1.7
215.06189	1.3
217.09778	2.6
225.11334	2.8
228.10338	1.2
229.09915	2.1
237.03976	1.7
238.04343	2.4
243.11401	1.3
243.16052	1.7
245.12935	64.1
246.13269	4.8
249.06076	1.5
255.07684	1.7
271.10873	7.7
289.11932	76.6
290.12225	6.4
315.09845	2.9
317.06723	1.3
319.06622	2.1
333.10904	23.7
334.11237	1.6
345.15445	3.3
373.62112	1.4
405.13672	4.3
405.17633	63.5
406.17822	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	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
57.03432	2.8
58.00589	3.2
59.01375	88.3
61.98826	43.1
66.18989	1.7
71.01376	66.4
71.27298	3.1
71.27618	2.1
72.01695	2.5
72.99310	5.6
73.02930	3.4
83.01392	4.5
85.02952	18.3
87.00871	12.4
89.02440	74.7
93.03466	2.4
95.01417	3.7
96.95425	1.8
96.96009	7.7
96.96964	8.1
99.00884	2.2
101.02433	32.2
106.79154	1.9
111.00870	5.4
113.02444	27.4
119.03490	29.4
121.02963	4.5
122.06142	2.7
125.02416	1.9
128.03539	1.8
131.03529	2.8
134.06071	1.8
137.02383	2.9
141.01947	5.5
143.03500	4.8
145.02914	2.8
147.04512	2.0
149.02408	18.2
149.04347	1.8
153.05478	2.2
161.04555	5.8
169.01398	7.4
173.04585	1.9
175.04066	2.1
177.01918	100.0
178.02284	6.4
179.05531	8.3
184.03688	3.0
191.01886	2.2
191.03531	2.6
191.05629	2.5
192.04279	44.6
193.04709	4.0
195.03003	8.9
199.06035	3.5
207.06667	14.1
209.02991	2.7
209.28430	2.0
210.05353	10.1
225.07672	18.5
231.08778	2.1
235.02431	2.9
267.07394	2.3
289.12064	2.5
338.87827	2.1
387.13028	10.3
405.10266	4.1
405.17853	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	404.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79720	0.4
59.01394	1.1
59.99299	0.3
61.98827	100.0
69.08488	0.3
71.54173	0.5
74.21154	0.4
78.95915	0.4
80.91694	0.6
95.38773	0.3
109.61434	0.4
130.08792	0.9
134.96678	0.4
146.38794	0.3
147.25633	0.4
355.23819	0.4
422.89337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98829	100.0
69.67621	3.6
105.09961	0.6
116.32138	0.6
142.33380	0.7
209.17625	0.6
284.19958	0.8
371.80713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
61.98828	100.0
69.42342	0.7
71.38347	1.5
72.97396	0.7
78.95911	1.9
87.00898	0.9
96.96954	1.5
140.03967	0.8
146.53758	0.7
149.05907	0.8
173.83707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
57.76869	1.2
59.01377	12.7
60.99309	15.0
67.33080	1.4
68.75365	1.2
70.08437	2.2
70.08865	3.8
70.62973	1.2
71.01373	4.4
72.99297	1.7
73.02948	2.6
83.46846	1.0
85.02944	5.5
87.00876	7.5
88.98802	100.0
89.02466	2.2
93.03450	2.3
96.96013	1.4
98.19846	1.1
101.02428	2.9
111.00916	1.3
112.29176	1.3
120.45171	1.1
121.02920	1.6
121.06616	1.6
122.03726	1.8
133.02948	2.7
134.03703	1.7
135.04494	3.6
137.02394	1.2
147.02986	1.8
148.05275	5.2
149.05965	3.7
153.63680	1.2
160.01624	3.3
161.02408	4.5
162.03140	2.1
163.03987	2.1
164.04883	1.4
165.01756	1.4
172.05342	2.4
173.06059	3.3
175.07591	1.6
177.04018	1.6
178.06252	1.5
183.13927	1.4
187.03955	1.3
187.07655	1.4
191.05467	1.2
191.07156	4.7
192.04231	1.8
192.07581	1.4
199.07704	2.0
204.06714	1.1
206.05748	1.5
219.06554	3.2
219.08563	1.4
226.10098	1.2
231.10170	1.2
236.81673	1.3
263.07825	1.6
264.08209	1.8
267.13913	2.3
273.20734	2.1
285.15073	1.5
299.16446	2.3
300.02795	2.0
315.05026	4.0
315.25565	1.3
359.18500	1.5
361.16632	2.4
373.16684	2.0
387.14349	2.8
387.27609	3.8
405.13040	4.9
405.19537	8.6
405.28500	21.5
406.28668	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98827	100.0
68.50160	0.3
69.20499	0.2
71.01389	0.4
71.54829	0.3
79.21681	0.3
85.03009	0.4
87.00883	0.5
93.03464	0.4
96.96034	0.5
97.06585	0.4
101.02481	0.5
101.14926	0.3
107.01505	0.3
108.02211	0.4
121.02963	0.5
122.03764	0.7
128.03545	0.4
133.02957	0.5
134.03751	1.3
135.04556	1.3
137.02451	0.4
147.04478	0.6
148.05305	12.1
149.05795	0.7
150.03209	0.4
151.00395	0.4
153.01920	0.7
161.02480	0.4
161.06052	1.8
173.04625	0.3
173.06151	0.6
174.06932	0.3
190.05089	1.5
200.04773	0.3
204.06604	2.5
211.13515	0.6
217.07343	0.3
218.08192	2.4
220.07503	0.3
226.56499	0.3
242.05896	0.8
253.14627	0.7
262.07269	0.7
263.07971	9.7
264.08255	0.7
307.06979	0.9
340.58292	0.3
341.19641	0.6
404.17847	0.6
405.11227	0.4
405.15833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98827	100.0
64.45229	0.3
67.38072	0.3
71.54267	0.5
77.42906	0.3
117.27994	0.4
186.11349	0.3
390.03717	0.5
405.06247	0.8
422.11343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47382	0.9
55.01883	1.2
57.03443	3.5
58.00587	2.6
58.02971	9.3
59.01375	43.0
60.01701	1.7
61.98830	12.0
66.03494	1.1
67.01876	1.1
71.01376	25.6
72.00916	1.7
72.01715	1.2
72.62749	0.9
72.99295	2.4
73.02954	2.4
74.02467	20.9
74.02853	1.3
82.02988	2.6
83.01376	1.8
84.04546	1.1
85.02948	10.1
85.04061	1.1
86.02478	9.4
86.06104	1.5
87.00877	5.1
87.05174	1.0
87.05644	5.7
89.02433	18.4
90.00177	1.7
93.03466	2.8
95.01396	2.3
97.04047	1.9
98.19853	1.6
99.00877	3.1
99.05638	15.7
101.02441	13.4
101.07178	3.0
102.05594	3.6
108.02216	1.2
109.04064	2.4
111.04495	1.1
111.05647	2.2
112.04005	2.5
113.02440	9.7
113.03567	1.1
119.03490	6.7
119.04964	1.1
121.06592	1.2
122.03665	1.0
123.04511	1.2
123.05630	1.6
123.08142	1.6
125.02415	1.9
125.03551	2.1
127.05159	4.6
128.03529	50.7
129.01898	1.0
131.04750	1.1
135.05621	4.3
137.07210	1.2
141.06746	5.0
141.09210	3.0
143.03654	2.6
143.04605	67.2
144.04942	1.1
145.06158	2.9
146.04619	6.1
147.04521	1.5
148.05287	2.1
149.06065	34.3
149.07256	1.9
150.06374	1.5
153.01987	1.0
153.06679	3.9
155.08250	1.1
159.04346	1.1
160.00723	18.7
161.04541	5.0
162.04803	1.1
166.02513	1.1
166.09825	3.5
167.04594	6.2
167.08206	1.8
173.04512	2.4
177.03357	6.2
179.04526	11.4
181.06143	2.6
181.12137	1.1
185.05594	2.9
191.05681	2.4
192.07776	1.0
193.05020	14.7
197.05756	2.3
210.08829	11.4
237.04018	29.7
238.04332	2.0
242.07794	1.8
243.15965	3.6
254.07785	17.2
260.80890	1.0
272.08850	34.5
273.09036	1.7
288.06549	9.9
306.07629	100.0
307.07999	6.5
404.15219	1.6
404.19965	3.0
405.16721	1.7
405.21799	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54156	7.6
58.10087	7.9
59.01381	21.4
61.98825	100.0
71.23246	11.7
71.23582	13.8
77.03521	7.4
79.27033	7.8
105.73429	9.1
137.47327	9.0
151.58044	9.9
153.07501	8.4
156.90108	8.8
297.37967	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20363	0.3
61.98827	100.0
71.01411	0.3
71.34624	0.5
96.57439	0.2
96.96023	0.7
99.57394	0.3
101.24731	0.2
130.49326	0.3
149.06125	0.4
159.89883	0.3
194.06679	0.3
199.30011	0.3
208.00476	0.3
217.71722	0.3
217.78180	0.3
287.73837	0.3
349.88974	0.3
422.59286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35588	0.6
61.98829	100.0
63.07964	0.6
70.88670	1.5
78.95926	0.6
79.59812	0.6
79.63174	0.6
96.04551	1.0
100.75507	0.6
111.12311	0.6
124.31531	0.5
169.74036	0.6
404.10126	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	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19981	0.3
59.01374	1.0
61.98829	100.0
64.27169	0.3
69.63113	1.6
71.01379	0.7
78.95914	0.7
85.02987	0.4
89.02438	0.5
96.96011	0.4
96.96963	0.7
113.02486	0.5
149.06117	0.6
156.96577	0.3
177.01956	0.7
192.04205	0.5
198.58679	0.3
237.04091	0.5
248.25958	0.3
289.12030	0.3
334.20020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01383	7.1
60.99295	1.5
61.98828	32.2
71.01377	1.6
71.54552	1.6
79.95743	1.1
85.02921	1.1
85.86846	0.8
87.00847	2.0
88.98804	6.5
96.95996	1.3
100.04050	1.0
107.05031	0.9
113.79369	0.8
121.02909	1.5
122.03733	3.2
124.01669	1.6
128.03526	5.0
133.02946	7.6
134.03726	9.8
135.04527	15.1
136.04086	1.0
137.02432	4.5
138.03386	1.0
146.04637	1.8
147.04544	6.5
148.05298	100.0
149.05656	5.0
150.03224	5.2
153.01930	3.7
159.04478	1.6
160.01617	1.6
161.02434	3.9
161.04665	1.3
161.06058	16.7
162.03203	3.3
162.05487	1.4
163.04001	1.6
172.02448	1.6
173.06007	1.7
174.06799	1.4
175.04004	0.9
175.07628	3.5
176.03496	2.3
177.01923	1.5
189.04295	2.0
190.05093	20.6
190.06816	1.0
191.05554	2.2
191.07166	1.3
192.23964	0.9
194.02162	2.5
203.10815	0.9
204.06630	36.5
205.06987	1.8
211.13463	1.0
214.06271	1.2
215.07007	1.0
217.07295	4.0
218.08188	25.5
219.08705	2.0
226.09482	0.9
229.08704	1.2
231.10168	2.2
235.06018	0.9
244.06183	1.3
257.08200	2.5
261.06253	1.0
262.07175	9.3
263.07962	75.5
264.08325	5.7
275.09207	3.0
275.20178	1.6
291.85571	1.0
307.06967	9.1
315.30658	0.9
329.28610	0.9
345.16965	1.4
361.20316	1.9
386.12399	1.7
404.13449	18.3
404.18192	1.8
405.14450	1.6
405.19629	1.7
405.28644	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.4
61.98829	100.0
71.53731	13.9
128.55315	9.6
184.00313	13.5
398.88828	9.5
403.27567	9.2
404.13522	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37731	3.0
59.01373	6.4
61.98830	100.0
71.23784	6.4
74.70624	3.4
86.35099	3.3
139.03993	3.3
144.37166	3.2
215.94052	3.8
271.22754	5.7
287.53366	3.5
352.09351	13.1
367.11853	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.46397	0.4
56.60701	0.5
57.03443	5.8
59.01378	10.9
61.98830	10.0
69.03455	3.0
70.21740	1.9
71.01381	8.2
71.05008	1.4
72.99308	0.7
73.02942	4.8
81.03489	0.5
83.01392	2.4
83.05019	1.1
85.02952	5.7
87.00886	1.1
97.06583	0.7
98.20583	0.6
99.00887	1.9
100.22650	0.4
101.02440	14.3
101.77902	0.5
109.06573	1.0
111.08161	10.6
112.08474	0.5
112.98565	0.6
113.02438	3.9
113.10825	0.4
147.11768	0.6
148.05313	1.2
153.09248	0.6
159.02969	0.5
161.04567	1.9
163.11259	1.1
165.12837	100.0
166.13170	7.2
181.12297	2.4
183.13887	47.9
184.14226	3.2
191.10788	2.5
193.07156	17.5
194.07379	0.5
209.11809	8.1
227.12859	5.8
243.10139	0.5
263.07895	0.8
285.22662	0.5
403.19708	63.2
404.20117	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01381	72.0
60.01691	1.4
61.98829	22.7
65.92962	0.9
69.03452	3.3
71.01377	18.4
73.02943	5.8
73.03307	1.0
75.00880	1.4
78.95892	1.7
83.01392	4.3
85.02956	12.1
87.00880	10.1
89.02447	11.7
93.03459	3.6
95.01400	1.4
95.05006	1.3
96.96028	3.1
97.06593	1.2
98.19787	2.2
99.00875	2.7
101.02453	13.1
107.04985	1.3
109.02973	3.2
109.06596	2.3
110.08987	1.1
111.04510	1.2
113.02433	7.9
115.04033	1.5
119.03475	2.3
121.06569	3.0
123.04456	2.1
125.02472	1.5
131.03519	2.6
132.61797	1.3
135.04572	1.3
136.05302	1.4
137.02444	1.7
139.03998	1.2
145.06566	2.3
147.04507	1.8
149.06039	10.5
150.06848	7.3
151.07632	4.1
153.01955	1.4
161.04518	6.7
161.09703	3.0
162.06868	10.5
163.07661	12.0
165.05586	1.6
165.23247	1.1
173.04567	4.3
173.05920	1.2
179.03384	2.4
179.05606	1.8
179.10718	1.7
180.07925	22.7
181.08685	40.1
182.09026	1.5
191.05615	2.8
193.04996	3.0
229.10825	1.6
237.04037	6.4
267.07101	2.3
281.10184	1.8
315.05283	1.4
341.12338	3.7
343.13733	2.5
359.03882	1.1
367.16031	1.8
370.94833	1.1
385.11368	1.4
403.16068	100.0
404.16470	10.7
406.32385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57531	1.6
57.03435	1.7
59.01362	6.9
61.98823	14.8
65.20578	1.4
70.68151	3.6
71.56264	1.5
85.02883	1.5
87.00868	5.6
109.02925	2.8
117.03577	1.4
121.02961	2.3
145.03008	2.2
146.03682	10.5
159.04471	14.4
160.05286	7.7
161.02452	4.9
164.22614	1.6
171.04494	3.7
172.05283	13.8
173.02402	2.0
173.06126	7.5
174.03217	16.1
174.06799	1.7
175.03906	4.6
175.07610	2.3
176.01016	2.2
183.04506	4.5
184.05177	3.5
185.06068	9.9
186.06827	7.6
187.03990	21.1
187.07587	6.6
188.04744	23.9
189.01965	8.9
189.05405	3.2
191.03418	2.1
196.05278	6.3
197.06009	4.5
198.06801	2.5
199.04018	21.4
199.07619	4.2
200.04762	48.1
200.08151	1.6
201.05502	16.1
202.06285	6.5
203.03482	4.6
209.06073	4.6
210.03195	2.4
210.06824	2.6
211.03978	5.3
211.07596	1.7
212.04733	7.4
212.08171	1.8
213.05562	19.5
213.09050	3.5
214.06328	14.0
215.06975	5.1
215.52170	1.7
218.05937	1.8
218.09535	1.9
223.07571	5.2
224.04736	9.5
225.05481	6.3
227.03589	13.0
227.07082	10.2
228.04266	33.3
229.05028	18.4
230.05797	7.9
232.03726	8.0
237.05527	6.4
238.06322	5.1
238.09813	2.1
239.07237	2.2
240.11533	2.1
241.05081	4.9
241.08678	5.4
241.12289	7.0
242.05838	7.2
243.06573	2.1
248.08508	1.9
265.12454	2.2
267.13818	4.5
269.11780	2.8
271.13226	2.1
283.13400	15.2
284.13910	1.8
285.11322	2.8
285.14899	2.2
287.12772	3.9
297.11441	2.4
299.12769	14.4
300.13104	3.0
301.14407	3.7
305.31470	1.8
307.13351	5.0
309.14877	10.4
311.12869	65.3
312.13174	7.2
315.12308	7.1
315.16046	1.9
316.13052	10.1
317.13962	10.5
318.89096	1.8
319.11734	2.3
325.14429	30.4
326.14719	3.4
327.12506	9.5
327.15897	3.4
328.13068	30.5
329.13898	100.0
330.14291	12.1
332.12558	1.9
335.12848	33.4
336.13193	5.1
343.15576	17.6
344.16071	2.3
353.13904	87.4
354.14343	10.4
356.12662	1.8
371.14954	86.7
372.15344	12.0
381.26666	1.7
385.16669	4.3
403.17590	78.2
403.30600	3.0
404.17798	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.2
59.01377	35.0
60.99300	1.0
61.98803	1.5
67.31959	0.5
69.03444	0.9
69.38149	1.9
69.38579	2.3
71.01385	6.4
72.99299	0.7
73.02937	2.0
74.02453	1.2
75.00874	0.9
78.95866	0.7
79.05510	0.6
81.03426	1.1
81.69649	0.5
82.88353	0.6
83.01363	0.9
83.05013	1.5
85.02941	3.1
87.00866	4.3
89.02438	5.0
93.03453	5.6
96.95993	2.2
97.06525	0.6
99.00855	1.4
101.02437	4.2
102.56510	0.5
109.02921	2.2
109.06602	0.6
111.04540	3.8
113.02410	2.5
119.03475	1.9
119.05005	1.5
121.02995	0.6
122.03723	1.2
123.04499	1.8
125.02363	0.7
127.03934	1.0
129.06650	1.1
135.04500	0.6
137.02420	1.9
138.03140	0.5
143.70303	0.5
147.04460	1.8
147.11737	0.8
148.05280	0.7
149.06075	4.1
149.95503	0.5
150.03201	0.7
153.01915	0.7
153.03035	1.6
153.12840	1.5
155.03490	3.3
159.02916	0.6
161.04535	2.1
163.03979	1.5
163.07631	0.8
165.05566	1.8
165.12840	10.2
166.13153	0.6
173.04544	13.3
173.06026	1.0
174.04842	0.9
175.07581	1.5
177.09280	0.7
179.05594	1.3
179.07104	1.0
185.00786	0.8
189.06943	1.3
191.05623	4.9
191.10794	1.1
193.05038	1.8
195.04149	1.5
197.08170	1.8
197.11800	2.3
209.11795	4.5
219.06618	0.7
225.05505	0.8
225.11278	0.7
227.07207	3.5
227.12878	100.0
228.13203	6.8
237.04120	1.4
238.04485	0.6
241.08698	2.1
242.08943	0.6
255.05037	1.0
267.10300	1.0
269.08163	2.1
269.12051	0.6
341.06909	1.1
341.11569	3.2
357.09973	0.6
357.17941	1.7
359.13510	1.0
383.07874	0.6
401.09232	5.4
401.18240	20.7
402.18591	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	402.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89839	0.3
59.01374	1.5
61.98828	100.0
69.45912	0.3
69.48026	2.1
71.01381	0.3
73.02952	0.3
85.02972	0.5
87.00883	0.7
88.56200	0.3
101.02427	0.3
113.02399	0.3
116.80717	0.3
147.04503	0.5
149.06062	0.3
173.04555	0.6
197.06091	0.4
220.10681	0.4
240.39894	0.3
269.08307	0.4
270.08533	0.5
332.06693	0.3
384.13760	0.6
402.09219	0.7
403.23615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98827	100.0
63.22496	0.9
70.38033	2.1
127.45744	1.0
163.11275	5.5
224.64345	1.1
339.23212	6.1
355.51218	1.1
403.31702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
57.03442	3.9
58.00588	1.9
59.01377	35.5
69.03451	2.1
69.76798	3.0
71.01379	80.7
72.01714	1.2
72.99314	2.4
73.02943	32.4
74.03297	1.0
75.00854	2.6
81.03452	1.9
83.01384	11.6
85.02947	35.9
86.00102	1.1
87.00865	4.4
89.02440	17.2
93.03461	5.6
95.01390	5.2
97.02946	4.5
98.20611	0.6
99.00878	15.1
99.04491	0.9
101.02438	66.0
102.02773	1.7
107.05000	1.0
111.00868	1.9
113.02445	30.2
115.04019	2.5
119.05013	2.4
120.10883	0.5
123.04521	0.6
125.02436	7.1
129.01929	1.3
131.03477	3.3
136.05342	0.9
143.03502	4.3
146.03780	1.2
147.04472	1.7
149.04572	2.6
149.06035	3.3
159.02992	6.7
161.04546	45.0
162.04878	1.2
163.04001	1.3
173.04506	2.4
173.05959	0.9
174.03217	1.1
175.03990	0.9
175.06245	0.8
175.07623	6.2
189.05547	0.7
191.05635	3.2
193.05038	1.9
205.03561	0.8
206.54956	0.5
215.05542	0.6
219.02931	0.8
219.06586	2.5
227.07169	0.9
227.12875	1.0
233.06625	7.0
267.10211	0.6
269.10275	81.3
270.10608	6.6
293.08780	3.2
313.10840	1.1
339.08713	0.9
357.09808	1.4
383.07492	4.8
384.08096	0.6
401.14462	100.0
402.09720	0.9
402.14865	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44032	1.4
56.85304	1.4
57.03439	4.0
59.01379	11.3
60.99312	2.0
61.98825	10.8
64.50966	1.4
67.01890	4.3
69.03446	1.8
71.01381	19.7
71.54373	2.0
72.99287	2.2
73.02953	3.0
75.00878	5.0
77.00622	1.3
83.01371	12.2
83.05032	2.2
85.02956	12.4
85.19865	1.2
87.00871	25.0
89.02456	3.7
93.03455	31.2
99.00883	3.4
101.02440	2.5
111.00873	11.9
111.04495	3.1
111.08146	3.9
113.02468	2.4
119.03599	1.4
119.04967	1.5
129.01936	14.8
145.02950	2.2
147.03009	7.2
147.04535	2.6
149.06108	4.1
155.03479	1.5
163.11276	2.0
165.12833	55.5
166.13173	4.9
173.04518	12.2
175.04048	1.2
183.13889	100.0
184.14154	6.5
191.05602	76.1
192.05908	2.7
197.15469	2.0
209.11813	5.8
227.12874	76.8
228.13184	5.8
241.14352	1.4
242.09386	1.7
272.49692	1.8
305.67926	1.4
337.08365	1.7
341.10803	5.3
357.15720	2.7
369.11139	1.4
370.11743	1.6
401.04999	1.8
401.13406	5.8
401.18103	37.8
401.24918	8.6
401.29816	2.4
402.18744	7.6
404.62540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90853	0.6
57.03444	1.3
58.00570	0.6
59.01377	100.0
60.01699	0.8
61.98820	1.6
69.03482	1.3
71.01380	9.7
71.11996	0.9
72.99306	1.2
73.02946	1.0
74.02490	0.8
75.00871	1.2
75.49403	0.5
85.02953	3.4
87.00885	3.4
89.02447	13.1
93.03468	5.3
95.01434	0.5
97.06576	0.5
99.04527	0.7
99.11015	0.5
101.02433	4.8
108.02175	1.7
109.02995	0.8
109.06596	0.6
113.02439	4.0
114.68507	0.5
117.56163	0.6
119.03486	5.4
119.05016	1.2
123.04560	1.6
135.04501	0.6
137.02448	1.7
143.03499	0.9
144.85481	0.6
147.04547	1.7
149.06088	2.8
150.03178	0.7
151.04047	0.6
152.01175	2.2
152.51097	0.5
161.04535	1.5
161.05875	0.6
161.09729	0.8
163.04028	1.8
165.05551	0.8
171.64862	0.7
173.04584	4.2
173.05998	0.9
175.07625	1.0
179.05658	2.4
179.07155	1.1
183.10307	1.0
189.12828	0.6
191.05650	2.1
193.05031	1.4
203.03845	0.6
209.11821	0.8
219.03111	0.8
221.11882	0.8
227.07158	2.0
227.09262	1.7
227.12883	11.3
237.03943	0.8
241.08713	2.3
255.05182	0.8
267.10248	0.7
269.08386	0.7
280.92899	0.5
339.08804	1.5
341.07031	0.7
341.11072	1.9
341.15906	0.8
383.07736	2.9
384.08011	0.8
399.88144	0.6
401.09158	4.6
401.18561	2.1
405.07260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1605
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
53.77639	0.8
57.03446	2.6
57.88763	0.8
59.01379	67.8
60.01707	1.0
61.98827	19.9
66.23898	0.9
69.03445	3.7
71.01378	21.3
71.53111	1.2
72.99293	1.2
73.02947	5.0
75.00878	1.2
78.95879	1.5
81.03492	1.1
83.01382	2.6
85.02957	8.7
87.00863	8.5
89.02454	9.2
93.03452	1.7
95.01361	1.2
95.05040	1.1
96.96021	1.7
96.96965	1.1
97.02942	1.1
97.06596	1.1
99.00877	2.7
101.02438	14.9
109.02929	2.6
109.06579	1.5
111.04482	1.1
113.02438	8.6
115.03996	1.6
119.03482	4.1
119.05024	1.4
121.06590	3.1
123.04532	1.8
125.02399	1.8
131.03488	2.8
132.49823	0.9
135.04494	1.6
135.08130	0.9
136.05275	0.9
139.04024	1.2
145.06587	2.4
149.06081	8.7
150.06856	6.4
151.07628	3.1
153.01923	1.5
156.00301	0.9
159.02959	1.0
161.04601	4.8
161.09740	1.4
162.06873	6.2
163.07634	9.3
165.05486	1.1
167.07074	1.2
173.04550	3.4
179.03456	1.4
179.05621	1.0
179.10828	1.3
180.07916	17.1
181.08684	24.9
182.09114	1.0
183.02931	1.1
185.00917	1.1
191.05605	1.6
193.05051	3.0
199.03902	1.1
215.97368	1.0
221.06609	1.6
223.09776	1.7
227.03625	1.2
237.04041	5.7
241.10742	1.0
241.14510	1.6
281.10159	1.1
306.07602	1.5
341.12402	3.5
343.13855	2.7
359.04379	1.3
363.51105	1.1
367.16229	1.2
385.02408	1.2
403.16058	100.0
404.16443	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	403.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47120	1.1
59.01376	57.9
60.08403	1.2
61.98825	8.3
69.03457	1.6
69.78764	4.8
71.01382	7.1
73.02939	1.9
83.01386	2.4
85.02950	3.3
87.00850	1.9
87.42249	1.1
89.02431	4.2
93.03445	1.5
95.01375	5.5
96.96026	1.6
98.20658	1.7
101.02425	4.3
107.93240	1.2
111.00901	1.3
112.29130	1.1
113.02435	4.7
119.03506	1.8
121.02973	5.4
122.02448	3.6
122.03593	1.4
123.00880	100.0
123.02782	3.8
123.04478	2.5
124.01678	27.7
125.02451	1.5
137.02419	3.3
137.31888	1.1
138.03224	58.3
139.00371	2.2
139.04007	76.5
140.04369	2.6
147.04471	1.2
148.05281	1.4
149.02402	3.2
149.06039	3.7
151.03897	1.0
161.04549	3.2
163.03960	2.2
164.04701	1.1
165.01982	1.4
166.02748	2.5
173.04546	1.5
176.20866	1.2
180.34506	1.1
181.05037	7.1
193.01396	3.0
193.05064	4.9
203.05629	5.6
208.03796	5.9
211.43184	1.1
223.06120	14.4
237.03990	3.2
241.07272	2.8
281.09933	1.2
283.08151	2.8
341.12387	2.8
343.10330	15.0
403.16537	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	401.1454
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.08694	0.5
55.01878	5.6
55.79278	0.5
57.03447	6.2
58.00596	3.9
59.01379	76.7
60.01715	0.9
61.98817	1.0
67.01891	0.9
68.99785	0.5
69.03458	2.7
69.77003	1.6
71.01380	100.0
72.01724	2.2
72.99307	5.7
73.02944	28.7
75.00880	0.8
81.03458	1.7
83.01379	15.2
85.02949	38.2
86.00100	1.2
86.03281	0.9
87.00867	9.2
89.02441	49.3
90.02797	0.7
93.03455	5.4
95.01379	3.8
96.96017	0.6
97.02946	4.9
99.00883	11.1
99.04486	1.0
101.02441	71.5
102.02783	1.4
107.05023	1.0
109.02930	0.8
111.00877	10.9
111.04521	1.0
113.02450	28.2
115.04003	2.7
117.03400	0.5
119.03500	2.0
119.05025	2.7
121.02943	0.6
123.04527	2.9
125.02448	6.7
127.03944	0.7
129.01933	2.1
131.03497	26.3
135.04530	1.1
137.02448	2.3
139.03973	0.6
143.03513	6.2
147.04498	2.4
148.05098	0.6
149.04544	12.7
149.06056	3.1
150.04860	0.6
155.03450	0.6
159.02992	4.9
161.04547	29.8
163.04005	1.6
165.05539	0.8
173.04541	11.1
173.06036	0.9
174.03131	0.6
174.05002	0.5
175.04048	0.9
175.07610	2.1
177.00847	0.6
177.09258	0.6
191.05585	5.1
193.05058	1.6
195.10234	0.5
213.30577	0.5
215.05635	1.3
219.02893	1.5
219.06595	1.1
225.05746	0.7
227.07159	2.0
227.12894	3.6
233.06638	8.0
234.06909	0.6
237.03952	0.5
241.08727	0.9
251.09164	1.2
255.05159	2.2
258.16046	0.6
269.10287	61.1
270.10580	4.4
293.08868	3.2
297.07492	0.7
327.59570	0.5
339.08789	0.8
341.10895	1.6
357.09982	0.5
365.18265	1.5
383.07770	2.1
401.14447	65.7
402.14825	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46537	1.1
58.46421	1.1
59.01388	8.3
61.98805	1.1
69.78067	6.0
70.56458	1.2
71.01389	5.9
72.99327	2.0
73.02933	4.0
83.12604	1.0
85.02946	4.0
87.00877	47.8
89.02460	1.8
101.02466	3.9
111.65986	1.0
113.02427	3.3
121.02979	2.2
123.00873	2.8
124.01630	1.4
131.03497	2.1
131.05017	1.4
137.02457	2.3
138.03242	1.9
148.78168	1.0
149.02419	2.7
150.03311	1.7
151.00366	2.4
151.68388	1.1
153.05576	2.8
161.02425	7.5
163.02734	1.8
163.04010	16.9
163.05281	2.0
164.04774	13.1
165.05521	3.5
166.02689	7.4
173.02415	1.8
175.03972	3.0
176.04770	8.4
177.01941	3.5
177.05560	1.7
178.02657	1.3
178.06380	14.5
179.03500	7.1
179.05544	1.7
179.07117	27.4
180.07495	1.5
181.05064	6.2
187.03976	1.4
189.01875	1.5
190.02628	1.4
191.03508	16.5
191.07155	6.1
192.04053	2.6
193.05046	4.7
193.08708	2.5
194.05794	6.6
203.03523	6.8
204.04250	2.5
205.05049	10.9
206.05814	8.4
207.06554	3.2
208.07278	1.6
209.08195	9.1
218.05812	3.3
219.02954	3.9
220.03690	2.1
221.04514	4.0
221.08138	7.0
222.05305	1.6
231.02950	2.6
233.04453	1.8
234.05350	3.8
235.06104	2.4
236.06786	1.7
237.07640	5.2
238.04729	2.6
246.05420	1.5
247.02524	5.6
247.06129	2.2
249.07677	5.1
250.04707	1.3
251.09155	2.2
261.07803	2.0
262.04794	9.1
265.07150	53.2
266.07535	4.5
277.07138	28.9
277.10001	2.3
278.07541	2.8
279.08743	1.8
295.08218	61.3
296.08517	5.9
325.09250	2.9
337.09161	1.7
341.10883	3.6
354.32559	1.3
355.10303	18.2
356.10831	2.0
383.10004	8.3
401.10840	100.0
402.11359	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	399.169
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
53.91355	0.3
55.25453	0.3
59.01383	1.5
61.98815	0.9
71.01376	1.2
71.43246	0.4
71.43590	0.6
72.99303	0.4
73.02927	0.6
77.92961	0.3
78.95912	0.4
79.95735	3.8
80.96513	3.9
85.02945	0.9
85.25063	0.3
87.00872	1.4
96.96006	98.8
97.95926	0.5
99.00868	0.5
101.02436	1.4
103.45867	0.3
104.77020	0.3
113.02455	0.8
122.97543	0.6
138.97066	8.1
149.06050	0.3
150.97073	1.2
156.16614	0.3
164.98608	0.9
180.98076	0.8
187.48151	0.3
222.99168	1.5
241.00204	9.9
242.00594	0.4
255.02931	0.7
261.80722	0.3
376.99033	0.4
381.10025	0.6
399.16898	100.0
400.17194	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.169
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
59.01376	1.6
61.98830	2.6
65.77402	0.5
69.46857	2.4
69.47263	1.8
71.01381	0.8
73.02909	0.6
77.03520	0.5
79.95732	2.9
80.96506	2.0
85.02931	0.8
87.00871	0.6
96.48912	0.5
96.96009	96.2
101.02454	1.5
113.02417	0.8
138.97063	1.3
150.37939	0.5
150.97054	1.8
180.98074	2.8
241.00237	8.8
242.00517	0.8
255.03017	5.8
270.86993	0.6
283.02515	2.0
381.09900	3.0
399.16891	100.0
400.11655	1.1
400.17166	10.9
400.22058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.2
61.98829	100.0
68.70331	10.7
70.23836	8.3
71.17146	13.4
71.54516	9.1
73.02899	7.7
76.03328	7.1
79.14263	8.4
101.02433	10.1
121.02936	50.7
201.19336	11.9
293.30276	8.8
313.07254	15.9
401.09106	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	401.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63544	0.8
59.01376	6.0
61.98823	2.0
62.35433	0.6
71.01379	1.8
79.21422	0.7
85.02919	1.1
87.00877	1.2
89.02451	2.6
93.03441	1.8
94.03678	0.8
98.19816	1.4
102.45910	0.7
108.02148	1.3
109.02946	1.9
111.70122	0.7
119.05018	100.0
120.05362	4.8
121.02949	0.9
121.06573	1.7
122.03727	1.5
123.04490	2.0
129.03452	1.4
130.04286	1.0
131.05013	1.6
133.02901	0.8
134.03712	0.9
135.04599	0.9
137.02441	8.4
139.03973	2.4
146.03786	0.7
147.04514	18.4
148.05292	9.9
149.06062	77.6
150.06403	3.3
151.27840	0.8
163.03995	43.3
163.07701	1.0
164.04372	2.7
164.23372	0.8
175.03993	9.0
190.06383	1.9
192.04332	4.2
193.05031	56.1
194.05434	2.5
218.02281	1.4
219.02942	17.7
219.10217	2.1
229.21031	0.9
236.03172	3.6
237.03967	2.0
269.11771	1.6
323.39902	0.8
339.08707	1.1
357.09756	13.1
358.10077	1.6
383.07758	12.4
383.12967	1.6
384.08163	1.1
392.17371	0.8
401.08688	27.2
401.13678	1.0
402.09045	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	399.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
61.98825	100.0
64.16995	0.9
65.43455	0.8
70.81523	0.8
71.53850	1.0
76.04911	0.9
78.95934	1.3
79.06411	0.9
79.49394	0.9
87.00851	1.1
96.95999	8.9
141.17587	0.9
181.18146	0.9
255.02907	7.7
283.02435	1.6
381.09738	3.5
399.10629	5.7
399.16730	10.7
400.11032	1.2
400.17053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1688
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
57.07205	0.5
59.01362	1.8
61.98837	3.4
65.44013	0.5
66.53239	0.5
66.96152	0.4
71.01442	1.1
72.14175	0.5
79.95733	11.2
80.96498	3.0
87.00875	1.9
96.96006	74.7
101.02467	1.6
113.02499	0.6
124.68539	0.5
137.96339	0.9
138.97070	2.1
148.73486	0.5
163.29634	0.5
209.11813	1.0
222.96246	0.6
241.00302	1.5
255.02989	1.7
279.12347	0.6
283.02466	1.2
287.33176	0.5
326.04181	1.1
341.06482	0.8
399.16891	100.0
400.11850	0.9
400.17236	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	399.1085
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
57.03454	0.6
59.01378	2.2
61.98829	0.6
64.63624	0.4
69.03142	0.6
69.03442	3.0
70.94852	0.5
71.01392	1.4
71.54316	0.6
72.99323	0.5
78.95907	7.2
85.02972	1.7
87.00883	1.2
90.43763	0.4
93.03439	0.6
93.82997	0.4
96.96017	6.5
96.96954	15.9
97.02977	0.7
97.06592	0.8
99.00883	0.8
101.02485	0.6
101.49231	0.4
104.83729	0.4
107.05022	0.5
110.00114	0.8
123.00937	0.5
146.03746	1.6
149.06062	0.6
151.00360	0.5
155.05002	0.4
157.06607	0.7
160.98839	0.6
163.00359	0.7
163.88519	0.5
169.22240	0.5
173.04573	0.7
175.03944	0.9
183.13907	0.6
185.00827	2.4
190.02711	0.5
190.99890	3.4
192.00287	0.6
193.05003	0.7
197.06075	1.1
198.06851	1.5
199.03978	0.7
199.07275	0.5
200.04692	0.6
209.06081	0.5
211.03951	0.8
212.04875	0.6
213.05542	1.3
214.06317	1.5
224.04922	0.8
224.08997	0.4
225.05516	2.3
226.06317	0.8
227.03473	0.9
237.05429	0.6
239.03450	0.8
240.04198	0.7
241.05011	2.1
242.05847	2.2
251.03444	0.5
253.05051	3.6
254.02269	0.5
254.02882	0.5
254.05811	6.1
255.02942	1.7
255.06000	0.5
265.05066	0.6
268.03857	0.5
269.04544	2.0
270.05191	1.6
281.04462	1.5
282.05280	1.8
283.02530	1.7
297.04074	5.8
298.04761	7.3
299.05164	0.8
301.16443	0.7
308.03296	1.8
309.04022	2.3
322.08572	0.6
323.05521	1.1
323.08939	0.5
325.03506	1.4
326.04218	5.0
327.04904	0.5
328.09454	0.8
339.08704	1.0
340.09366	1.2
341.06689	0.6
355.08115	1.0
366.07413	1.1
367.08075	0.6
383.07599	2.6
384.08469	94.6
385.08804	10.6
399.10800	100.0
399.27597	1.6
400.11124	11.7
400.15024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03197	1.3
57.03447	17.3
59.01367	3.3
61.98837	1.9
62.99626	0.9
68.55521	0.9
69.29782	4.1
69.30205	3.6
70.01231	0.9
71.01373	2.7
73.02937	5.0
85.02939	3.5
87.00873	100.0
87.64949	1.3
88.01199	2.1
89.02408	1.4
90.64841	1.0
91.89995	1.0
93.03461	2.5
100.01608	1.4
101.02435	4.1
113.02498	1.0
119.04996	2.8
130.99890	4.4
134.03734	2.1
137.73842	0.9
146.02290	1.2
147.02974	1.7
147.04497	1.1
149.06075	2.1
163.04005	2.1
173.04587	2.3
191.05670	2.1
193.05020	2.8
196.07687	1.4
208.11316	3.1
224.07133	2.6
224.10753	3.2
237.07806	4.9
252.10263	21.7
253.10548	2.3
261.11240	1.4
266.11841	10.7
267.12134	1.0
268.13522	2.5
292.13385	1.4
308.12900	1.8
310.14590	1.5
317.56570	0.9
336.12540	3.1
337.99060	1.1
338.10333	3.1
398.12402	41.2
399.12662	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	399.093
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
69.71170	0.5
71.01443	1.0
85.02929	0.9
108.02178	1.5
109.02946	1.7
121.06570	1.7
122.03741	1.2
123.04525	1.6
131.04999	1.6
147.04506	8.9
148.05307	4.1
149.06075	100.0
150.06400	5.7
175.03987	8.7
193.05038	93.7
194.05386	6.0
208.01372	0.6
219.02965	22.5
220.03325	1.8
237.03966	1.0
343.82901	0.6
355.10269	1.9
366.91379	0.6
381.08118	7.4
399.09302	43.0
400.09665	4.7
403.30493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0928
Annotation	Linderofruticoside A
Peak:m/z	Relative Intensity
69.84996	1.9
75.89029	0.4
95.50114	0.5
98.20605	0.5
107.05051	0.5
108.02155	1.5
109.02943	1.8
119.04945	0.5
121.06585	1.7
122.03751	0.7
123.04548	0.7
131.05031	2.2
134.03690	0.5
137.63667	0.5
147.04497	2.6
148.05289	4.5
149.06062	92.0
150.06404	4.8
175.03975	1.6
193.05031	100.0
194.05331	5.7
217.08440	0.5
219.02925	3.2
237.03967	0.8
246.15207	0.4
307.92682	0.5
326.72983	0.4
355.10184	3.0
381.08099	1.2
399.09265	32.8
400.09601	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	399.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.8
61.98814	1.8
70.45850	0.7
71.01363	0.8
72.80758	0.5
85.02929	0.7
87.00859	2.5
89.02430	0.6
93.03465	0.6
96.31364	0.6
97.06524	0.7
101.02438	0.7
132.02156	2.0
133.03004	0.6
135.04483	0.8
147.04543	0.9
149.06088	0.9
156.05731	0.9
161.02434	0.9
163.00371	1.5
164.51202	0.6
167.05231	0.7
183.04468	1.4
184.05322	1.2
190.99855	7.2
192.00209	0.9
193.04979	0.8
195.04514	0.6
200.04721	1.0
210.03102	0.7
211.03914	2.2
212.04848	0.8
215.03323	0.8
225.09195	0.6
226.02734	1.3
227.03444	1.4
228.04158	3.1
239.03329	2.2
240.04280	4.7
255.03017	3.7
256.03671	3.5
267.02884	1.4
268.03726	3.3
269.04480	0.9
269.25641	0.7
283.02594	4.5
283.05392	1.0
284.03253	9.5
285.03864	0.9
294.04306	0.7
299.01987	1.8
308.03406	0.8
311.01929	2.3
312.02756	18.1
313.03259	2.5
313.06854	0.6
325.07159	2.1
327.04965	1.4
381.05115	1.1
383.07889	0.9
384.08472	80.4
385.08884	8.6
399.10815	100.0
400.11142	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1866
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
57.03439	1.4
58.00582	1.6
59.01369	3.5
59.57706	0.6
61.98816	1.9
67.01867	1.0
69.03448	1.1
71.01378	3.9
71.53703	0.5
72.99303	0.7
73.02941	1.8
75.00873	0.9
75.71421	0.5
83.01402	0.5
83.03419	0.5
83.05012	0.6
85.02955	3.6
87.00872	11.1
87.04510	4.0
89.02450	0.6
93.03455	7.0
93.17931	0.5
95.05011	0.8
96.96015	0.5
99.00861	0.8
101.02431	0.6
108.02174	0.6
109.02974	0.8
111.04510	2.2
113.02431	1.3
113.06097	6.3
119.05008	0.9
121.02974	3.0
123.04506	1.5
127.03974	0.5
129.01959	0.7
130.99861	1.0
134.03728	9.6
135.04488	0.9
135.08104	0.5
137.02455	1.7
137.09712	4.4
147.04475	2.1
149.02425	8.8
149.06070	2.2
149.36644	0.5
152.86302	0.5
155.03528	1.7
159.04469	1.7
160.01698	1.1
160.68619	0.5
161.02419	2.7
161.06027	0.7
161.09706	0.6
162.03217	2.3
163.03972	2.8
164.04776	6.5
165.05544	2.4
167.03502	0.5
173.04544	13.1
173.05991	0.8
174.04836	0.6
175.03999	2.8
175.11250	0.6
176.04736	0.8
177.01891	0.6
177.05533	1.4
179.07123	1.5
187.04018	1.7
188.04771	0.9
189.01819	0.6
189.12837	1.4
190.02728	1.1
191.03725	1.1
191.05602	19.5
191.07080	1.0
191.14421	0.8
192.04320	0.5
192.05925	0.8
193.05037	3.7
203.03497	1.0
206.05753	0.6
208.03722	1.0
215.07069	1.3
223.06107	21.0
223.09497	0.8
224.06569	0.9
225.05566	0.6
231.02945	0.8
233.08133	1.0
233.19142	0.7
235.05969	1.2
243.17654	2.5
249.13292	1.4
257.15454	12.4
258.15878	0.6
261.11292	9.3
262.11530	1.0
265.08783	1.2
271.16876	0.6
273.18561	9.7
273.21347	0.9
274.18762	0.7
275.16507	3.1
289.18106	1.2
291.19659	2.4
295.08264	2.2
309.07895	0.8
309.20538	3.0
310.08722	1.1
335.18616	36.3
336.18991	5.0
353.19678	4.4
354.20178	0.6
361.16394	2.4
365.08817	5.5
379.17566	12.7
380.17947	1.2
397.11508	3.4
397.18665	100.0
398.11313	0.9
398.13101	0.6
398.19006	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	398.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.6
59.01364	6.7
61.98833	8.6
66.55486	1.4
70.70525	1.5
71.01380	3.9
71.53867	2.2
73.02935	6.7
77.82465	1.3
85.02934	5.0
87.00874	100.0
88.01193	2.1
93.03458	3.3
99.56519	1.5
100.42038	1.5
101.02438	4.7
121.02934	1.7
125.28462	1.7
128.47142	1.4
130.99828	4.1
147.02974	2.7
147.04472	2.7
149.02408	3.4
149.06052	3.3
155.22357	1.5
163.03999	1.7
164.04776	1.8
173.04520	5.6
175.00366	3.9
190.02698	9.5
191.05627	2.0
193.05017	3.2
205.05080	11.8
208.11240	3.4
223.06166	2.5
224.07187	1.9
224.10736	2.3
237.07858	5.7
252.04242	3.5
252.10268	21.3
253.10612	2.6
266.11862	10.0
268.13300	2.0
268.44156	1.8
292.13269	2.4
310.14359	2.1
311.05533	4.8
336.12289	3.2
338.10306	4.3
398.12384	41.4
399.12650	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	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
57.59851	0.3
59.01377	2.9
60.99322	0.4
61.98815	1.2
67.01893	5.6
69.03443	1.0
70.88626	0.8
70.88998	0.3
71.01377	4.1
72.99297	0.4
81.03454	1.0
83.05009	1.2
85.02950	3.0
87.00873	3.4
89.02458	0.4
91.05529	0.6
93.03455	33.9
94.03782	1.1
94.80884	0.3
95.01446	0.4
99.00884	0.6
100.00387	0.4
101.02458	0.6
109.02953	1.6
111.00897	0.9
111.04520	5.9
113.02454	0.6
117.03469	0.4
119.05003	0.5
121.02956	3.1
121.62571	0.3
127.04092	0.9
132.02185	0.7
134.03726	2.0
135.04532	0.5
137.02428	5.2
145.18466	0.3
147.04507	1.6
149.02428	18.1
149.06047	1.1
150.02823	0.9
155.03477	4.2
159.04538	0.4
160.01642	1.0
161.06081	0.4
163.04073	0.8
164.01790	0.6
164.04784	12.5
165.05170	0.6
173.04536	100.0
174.04863	4.1
175.03976	1.4
178.02762	0.5
179.07120	0.6
191.05602	17.7
192.06030	0.8
193.05040	2.3
205.08661	0.4
208.03828	0.4
223.06100	17.3
224.06416	0.9
255.53760	0.4
288.09174	0.4
309.07675	0.5
314.28073	0.4
397.03381	0.5
397.11121	3.7
397.15018	0.5
398.11737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
57.03443	2.8
58.00589	1.7
59.01382	34.6
60.01718	0.6
61.98819	1.9
65.83433	0.5
69.03455	2.3
71.01382	63.6
71.53822	0.8
72.01697	0.6
72.99304	2.8
73.02944	22.7
73.13280	0.6
75.00893	3.0
78.95949	0.7
81.03451	1.1
83.01395	10.3
85.02953	26.5
87.00878	4.3
89.02448	26.6
90.48959	0.6
93.03462	1.4
95.01397	4.3
96.96004	0.6
96.96978	1.0
97.02953	3.2
99.00881	14.3
99.04526	0.7
100.01178	0.7
101.02445	46.4
101.06085	1.0
102.02779	0.9
103.07679	0.8
109.03001	0.7
111.00893	2.0
113.02447	22.8
115.04012	2.2
119.03509	2.8
119.05035	0.7
121.02974	1.0
123.04495	0.7
123.75109	0.6
125.02451	7.5
129.01962	1.3
131.03513	5.2
135.04475	0.6
136.07642	0.8
137.02470	1.2
141.01910	0.5
143.03552	3.4
147.04549	1.8
149.02473	6.0
149.04567	9.4
159.03009	5.1
161.04558	27.1
164.04785	4.4
173.04524	2.4
179.05595	0.7
179.08257	1.5
191.03500	1.5
191.05624	4.0
205.03560	0.7
223.06113	8.6
233.06653	4.7
235.02449	1.7
235.11879	1.2
265.12909	58.6
266.13184	3.2
293.08722	2.6
397.17130	100.0
398.17465	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04105	1.0
55.01850	1.2
57.03451	4.5
59.01375	24.0
61.98835	4.9
63.05501	0.9
67.01873	3.8
68.99793	3.8
69.03443	2.4
71.01378	24.1
71.54475	1.1
72.99305	8.9
73.02929	3.7
75.00871	25.2
81.03426	2.6
83.01389	2.2
85.02946	26.4
85.61713	0.8
86.03238	1.2
87.00878	15.7
88.04035	3.2
89.02437	5.2
93.03449	6.8
95.01385	6.4
99.00878	13.9
101.02457	1.9
103.00343	2.6
103.05547	2.3
106.06618	1.9
109.02956	1.6
111.00833	1.8
111.04481	2.0
113.02449	32.8
115.00338	5.0
117.01923	5.0
117.03557	0.9
119.05000	2.8
121.02910	2.2
129.01915	4.0
130.99823	1.3
132.02155	1.2
132.03033	6.2
133.03319	2.7
137.02417	2.1
145.02917	1.3
147.04515	100.0
148.04863	5.3
149.02399	1.2
149.06139	1.4
150.03108	1.2
150.05598	1.3
157.01480	1.0
161.02388	1.6
164.03537	1.4
164.07072	1.2
173.03369	0.9
173.04561	10.5
175.02403	3.1
175.03896	2.0
179.10800	2.3
191.05606	3.1
193.04909	0.9
223.09657	2.0
231.05026	7.9
249.06128	73.2
250.06401	4.0
282.05670	1.5
329.35608	1.0
353.06540	2.1
379.11780	3.8
397.11282	89.4
398.11731	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	397.1137
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
59.01377	1.0
61.70819	0.4
61.98833	0.5
71.01367	0.6
71.04704	0.4
71.12125	0.8
83.05036	0.9
85.02930	1.0
87.00874	1.5
91.05527	0.8
93.03451	3.6
98.42244	0.5
99.00887	0.7
106.95680	0.4
108.02157	0.8
111.04514	3.2
117.03455	0.9
119.05019	1.5
121.02951	9.9
123.04491	1.4
127.04039	0.4
132.02162	1.4
137.02318	0.4
141.49583	0.4
147.04491	5.4
149.02429	69.0
150.02754	2.5
155.03482	3.6
163.03989	0.9
164.04781	53.2
165.05118	2.6
168.13759	0.4
173.04538	7.7
174.04759	0.6
178.02727	0.5
179.07140	3.5
185.17545	0.4
191.05586	5.9
223.06094	100.0
224.06448	7.0
238.84891	0.5
335.07800	0.4
350.88315	0.4
397.06824	0.6
397.11349	7.0
397.16187	0.4
398.11600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12631	1.0
59.01374	7.6
61.98830	100.0
71.01385	4.9
73.02911	1.1
78.95902	3.2
79.20412	1.1
79.95731	7.6
85.02935	2.7
87.00877	13.1
88.04041	17.2
88.24120	1.1
93.03456	5.2
97.06573	1.4
108.08173	1.8
109.02974	1.0
111.00851	1.7
114.01961	4.2
115.00368	8.4
121.02934	6.1
122.03765	2.0
132.03027	41.7
137.02444	2.5
139.00348	6.8
147.04480	3.8
149.02408	3.5
149.06070	1.3
152.07172	1.9
161.02441	3.3
163.03963	1.3
164.03552	6.8
165.99095	5.7
173.04538	14.7
173.05887	1.8
175.03906	1.7
191.05602	2.8
192.04311	1.4
192.06531	1.2
192.40349	1.2
193.04942	1.9
193.98534	2.1
199.03766	1.2
204.04291	1.6
211.35439	1.2
215.06686	1.5
223.09729	1.1
225.09229	1.0
233.08209	2.3
236.05547	2.4
251.09279	1.4
257.03979	1.2
260.06558	1.8
281.05377	5.4
286.01184	5.2
287.01907	3.5
300.02502	2.2
301.03256	8.3
303.01410	2.0
318.03824	5.2
320.11942	1.6
333.06152	15.4
353.06796	2.7
378.11993	20.2
379.12384	2.0
380.98706	14.6
381.98077	2.1
396.01141	19.9
396.09427	1.9
396.12921	7.0
397.00623	3.8
397.10910	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	396.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93663	0.4
59.01377	100.0
60.01717	0.9
61.98827	34.4
65.00316	0.7
71.01375	0.6
71.38107	0.6
73.10487	0.4
84.00869	0.4
86.23856	0.5
87.00851	0.4
96.96042	0.6
119.01427	0.4
145.33728	0.4
158.03761	0.5
170.03769	0.4
171.04506	0.6
187.04031	0.7
196.28271	0.4
198.03206	1.6
199.03946	0.8
200.01170	0.7
201.01978	0.6
214.02719	1.7
215.03256	0.7
226.02710	1.4
227.03490	1.5
241.01367	0.8
242.02196	1.7
243.02919	1.1
255.02921	0.8
269.00964	1.0
270.01627	1.9
271.02423	2.3
298.01224	2.9
299.01840	2.9
396.08463	16.6
396.24850	0.7
397.08789	1.5
397.13434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
57.03432	3.2
58.00578	3.0
59.01377	87.8
60.01714	1.0
61.98816	3.8
62.19970	0.9
69.03439	3.4
70.66370	1.8
70.66703	1.8
71.01379	100.0
71.05016	7.1
72.01718	1.5
72.99294	4.5
73.02555	1.8
73.02943	31.4
73.06591	1.8
75.00858	3.4
75.83641	0.9
76.54452	0.8
78.95877	1.2
81.03435	2.0
83.01396	9.0
83.05019	6.2
85.02946	28.6
87.00874	6.5
87.95275	0.9
89.02443	99.9
90.02791	1.6
95.01392	6.2
96.96009	2.4
96.96930	1.3
97.02947	4.9
99.00877	29.5
99.04500	1.6
101.02438	66.3
101.06071	12.3
102.02739	1.5
111.00845	1.1
113.02446	30.7
114.02804	1.4
115.03988	3.4
119.03493	11.2
123.04460	1.0
125.02441	11.9
131.03491	18.5
131.07037	0.9
137.02397	0.9
143.03487	5.0
149.04546	45.6
159.02986	4.4
161.04552	29.4
162.04810	0.9
173.04637	1.0
173.08141	1.4
179.05640	4.4
191.05618	14.1
221.06592	2.2
233.06683	9.0
245.10301	1.4
251.07625	1.7
263.11313	24.4
289.65842	1.0
293.08762	8.3
335.13602	2.9
335.17096	2.1
377.14459	1.8
395.15540	81.0
396.16180	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80953	21.7
61.98825	37.2
76.39804	17.3
76.71236	17.1
92.46249	19.1
92.54622	18.9
95.50385	19.9
96.96004	100.0
168.77507	19.7
205.49590	21.4
313.50192	20.3
345.43906	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	394.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11383	1.8
59.01365	12.0
59.03469	1.4
61.98829	12.9
64.62846	1.6
69.03436	2.1
71.01369	2.8
71.16290	1.5
71.49509	2.0
75.85624	1.5
79.95733	4.1
85.02959	2.3
87.00883	14.6
109.02990	1.7
113.02379	1.8
133.10228	4.2
145.02968	4.1
146.03693	3.3
147.04544	8.7
148.05350	4.4
149.06097	4.1
159.04530	5.3
161.02380	3.8
161.49203	1.8
165.05478	2.4
172.04039	1.6
172.05261	9.3
173.04533	5.2
173.05969	3.2
174.03162	2.0
175.04063	2.6
175.07675	2.4
177.09224	3.0
184.05286	1.7
185.06055	18.1
186.06880	8.7
187.07629	13.9
189.05579	4.6
189.09177	7.2
191.03604	2.2
191.05597	3.8
196.05267	16.3
197.05972	2.3
199.03897	3.1
199.07631	15.5
200.08339	9.6
201.09212	5.4
202.06310	2.5
203.07126	5.3
204.04340	2.0
204.07933	9.6
205.08377	2.1
209.06056	13.6
210.06715	2.0
213.05550	10.4
214.06326	27.3
215.06894	1.9
215.10712	4.9
223.07591	31.5
224.08295	10.7
225.09204	34.0
226.09605	2.8
228.07822	3.3
231.06627	5.5
241.04865	2.7
241.08693	6.1
243.10228	100.0
244.10587	7.8
259.06110	7.2
275.12897	5.7
285.03687	1.9
287.09094	8.1
300.02670	4.3
319.11844	8.5
331.08130	16.1
351.10922	3.8
379.98373	6.3
386.51312	1.9
395.00912	9.1
395.09457	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	395.0075
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
59.01295	4.8
59.01621	0.6
61.98744	12.3
61.99101	1.5
63.26575	0.4
65.00278	0.9
69.20616	3.6
71.01290	1.8
78.95824	0.8
79.95645	31.5
79.96161	2.4
80.96426	1.7
85.02860	1.2
87.00776	16.6
88.04031	2.8
88.98717	0.7
89.02361	0.5
90.25739	0.4
93.03345	1.3
97.06506	0.6
101.02380	1.0
105.03406	0.6
108.08107	0.8
109.02869	0.5
110.00038	0.6
111.00790	0.5
112.05355	0.4
113.02354	0.6
114.01885	0.5
115.00269	1.2
119.04891	0.6
121.02840	1.8
122.03630	0.4
124.01602	0.5
129.82040	0.4
130.99730	1.3
132.03017	7.3
133.02888	0.6
133.10159	0.6
135.04434	0.9
136.01611	0.5
136.98669	1.2
137.02351	1.0
139.00253	1.2
139.03935	0.4
145.02844	1.1
146.03741	2.0
147.04515	5.0
148.01648	2.1
148.05157	1.2
149.02350	0.7
149.06119	1.9
152.07080	0.8
159.04477	2.6
161.02440	2.2
161.04419	0.5
161.05827	0.5
162.03104	0.9
163.00276	1.2
163.03865	0.9
164.03419	1.1
164.04697	0.7
165.98911	1.2
171.00526	0.5
172.05162	1.7
173.04393	1.6
173.05934	2.2
174.03212	2.2
175.04007	3.2
175.07492	0.6
183.04346	0.8
185.06000	2.3
186.06850	0.8
187.03873	0.8
187.07668	2.8
188.04729	1.0
189.05626	2.1
189.09065	1.2
190.02582	0.5
190.99872	4.8
191.03371	1.4
191.05505	2.4
192.04099	1.5
193.04906	1.1
196.05092	0.8
197.06007	1.2
198.03171	1.7
199.03954	2.2
199.07556	0.9
200.04593	1.3
200.98531	1.0
201.05486	0.6
201.99350	0.5
202.02708	0.8
203.03438	1.1
203.07104	4.6
204.04126	0.6
204.07643	0.8
205.01247	0.5
205.04918	0.5
213.05455	1.7
213.09085	1.1
213.99330	0.7
214.02686	0.7
214.06364	2.1
215.00096	0.8
215.03340	1.4
215.07043	2.2
215.10689	0.7
216.04115	1.7
217.04893	0.5
218.01859	0.4
219.10228	2.8
223.07495	0.4
225.09193	3.0
226.02626	1.5
227.03430	2.2
228.04076	0.8
228.98055	0.7
229.08725	2.0
230.02058	0.6
231.06578	7.4
231.10081	0.6
232.07082	0.7
233.04369	0.5
239.00085	1.2
241.05019	3.6
242.02045	1.1
242.05460	0.6
243.03009	2.3
243.10258	2.7
244.03610	1.6
244.10448	0.5
245.08112	0.7
245.11729	0.7
255.02818	1.5
256.03745	3.8
257.03781	0.5
257.08105	1.4
259.06082	11.9
260.06476	1.0
263.09094	1.8
263.14941	0.8
269.00748	0.8
270.01620	1.1
271.02448	4.0
272.03043	1.7
273.07614	1.6
275.12775	1.7
280.97485	1.0
281.05261	0.9
282.99155	0.9
283.02319	1.1
285.03983	1.7
286.01123	0.9
287.01929	0.7
289.10638	1.3
291.08698	1.0
298.01157	5.3
299.01889	6.6
300.02704	32.8
301.03027	4.0
301.06696	0.9
305.10245	1.0
318.03888	0.8
319.11853	2.2
333.06012	2.4
333.09818	1.1
337.29242	0.4
351.10791	1.2
358.11331	0.7
377.08826	0.6
378.11902	4.1
379.98398	63.7
380.98743	7.5
395.00751	100.0
395.09225	24.2
396.01129	10.2
396.10193	1.7
396.13562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99157	2.5
57.03444	7.2
57.20428	2.9
59.01377	94.7
65.74229	2.6
66.30452	2.7
69.19511	13.4
69.19946	11.1
71.01381	22.4
71.84913	2.6
73.02959	14.3
75.00887	4.5
77.97729	2.4
81.03449	3.8
83.01369	5.4
85.02977	12.9
87.00896	7.5
89.02442	9.4
93.03433	5.5
97.02947	3.8
99.00873	6.0
99.04523	10.4
101.02432	27.4
109.02938	7.1
113.02437	9.4
117.03471	2.7
119.05013	4.8
121.02916	3.2
123.04523	4.0
125.02407	3.4
125.90547	2.8
129.03499	6.2
132.85399	3.1
133.06648	2.9
134.03697	3.6
135.04524	6.7
137.02443	16.5
138.53226	2.6
139.04002	3.2
143.05003	9.2
145.02924	9.9
145.06557	3.0
146.03731	9.5
146.24550	2.6
147.04512	56.6
148.05327	14.1
149.06070	14.5
157.06566	4.7
159.04489	33.6
160.05266	14.1
161.02441	11.3
161.04539	11.6
161.06068	28.9
162.03185	3.8
163.04031	4.4
171.04512	5.0
172.05251	4.3
173.04552	2.9
173.06059	3.6
174.03172	7.8
175.03981	9.0
175.07542	3.3
176.04755	3.1
183.04471	7.7
184.05276	7.7
185.06026	36.0
186.06680	4.3
187.04005	23.2
187.07605	7.0
188.04762	20.6
189.01953	10.1
189.05492	6.4
190.02782	6.7
191.03485	11.0
191.05441	3.5
192.04237	10.3
193.04956	5.7
195.04463	3.7
198.03212	3.4
199.07579	12.5
201.05583	37.4
202.06210	10.8
203.03487	6.5
203.07121	100.0
204.04297	16.3
204.07410	8.1
205.04892	5.3
209.06065	9.3
211.04002	4.8
211.07663	2.7
212.04782	7.8
213.05551	16.9
215.03476	7.5
217.08678	5.9
227.03578	3.3
227.07108	40.6
229.05069	31.7
229.08658	4.5
230.05791	25.4
231.02982	9.0
231.06558	11.4
232.03700	9.7
232.07312	3.6
233.08122	5.1
237.03880	4.6
240.04146	3.2
245.08170	19.2
247.06123	14.7
253.35629	3.1
255.06651	24.3
257.04352	3.8
261.13443	31.9
271.06107	11.1
273.03955	4.8
273.07635	14.0
274.04706	5.2
287.09238	9.1
289.07242	3.0
291.05057	8.5
299.05499	7.1
305.06400	3.5
305.10309	3.9
317.06628	4.0
333.15527	10.5
349.09375	5.6
393.08182	5.7
393.12961	5.3
393.17526	54.3
394.17981	4.5
416.63214	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	393.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90650	1.4
57.03423	2.6
58.11559	1.5
59.01370	18.6
69.50955	10.3
71.01371	2.3
81.82612	1.4
83.01404	1.5
85.02959	3.1
87.00862	1.5
98.19897	2.6
99.04530	6.2
101.02420	3.3
108.04585	2.3
109.02970	4.2
111.00887	1.6
111.44782	1.5
113.02415	1.7
119.05002	4.0
121.02908	1.6
122.03751	1.8
123.04551	2.6
127.03997	2.3
129.03467	2.8
129.98207	1.7
133.02927	2.2
133.06563	2.0
135.04501	6.2
137.02419	17.5
139.04039	7.8
143.05008	3.0
145.02943	7.7
146.03720	10.2
147.04514	55.9
148.05350	14.5
149.06081	16.4
157.06592	4.3
158.03705	3.0
159.04495	20.6
160.05276	15.4
161.02470	8.8
161.06059	26.5
162.03180	3.0
163.04012	4.3
164.04787	2.2
167.05006	3.1
172.05083	2.2
173.05977	2.8
174.03194	4.8
175.03929	3.4
175.07663	2.6
183.04523	9.9
183.08102	2.1
184.05220	5.4
185.06073	27.4
186.06441	2.8
187.03972	13.4
187.07587	3.4
188.04794	15.9
189.01945	3.5
189.05502	6.6
190.02650	6.9
191.03499	9.8
192.04269	15.9
193.05022	7.7
199.07639	6.9
201.05565	34.5
202.06215	9.8
203.03638	9.5
203.07130	100.0
204.04248	13.6
204.07329	8.1
205.04897	2.9
209.06058	7.8
211.03981	4.1
211.07629	3.6
212.04729	7.4
213.05577	14.6
214.02649	1.7
214.06194	1.5
215.03505	5.2
226.06340	3.1
227.03583	2.5
227.07127	32.1
228.04202	1.8
228.07556	2.4
229.05026	34.5
229.08566	2.0
230.05807	24.0
231.02977	8.5
231.06554	10.5
232.03726	12.3
233.04457	2.2
236.03226	4.3
237.04031	5.6
240.04225	3.3
243.06729	2.2
245.08153	17.1
246.05246	1.8
247.06033	10.2
248.06384	1.5
255.06627	19.5
256.07034	1.7
257.04480	2.2
271.06143	12.1
272.06540	1.7
273.04108	5.7
273.07678	14.1
274.04736	2.5
287.09241	4.8
289.07202	1.8
299.05505	4.2
317.06583	3.4
370.95178	1.9
389.40720	1.9
393.08246	3.8
393.17520	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	391.2123
Annotation	5,8-Epoxy-9-acetoxysinulariolide
Peak:m/z	Relative Intensity
57.03397	1.8
59.01309	11.9
65.87331	0.7
69.96085	3.0
71.01346	1.7
72.02090	6.2
76.61705	0.7
80.42371	0.7
83.04961	2.3
87.00874	13.3
92.88371	0.7
98.03687	0.9
130.99852	9.8
135.56433	0.7
141.78780	0.7
147.04478	0.9
157.46399	0.8
219.17459	0.7
251.28030	0.6
254.04276	4.7
259.20639	4.1
261.22208	76.0
262.22498	7.1
279.97321	0.8
285.22208	3.0
287.20053	5.7
288.20346	1.1
303.19846	1.4
303.23242	22.5
304.23511	2.8
305.21194	52.7
306.21512	6.9
331.19101	14.2
332.19357	1.4
347.22235	100.0
348.22620	11.6
349.20163	28.6
350.20511	3.0
351.63141	0.9
391.13760	1.1
391.21262	38.7
392.21741	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	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67136	6.1
54.52769	6.8
57.97292	7.4
59.01379	100.0
61.98838	13.7
69.62102	33.1
71.84970	6.2
77.16367	6.5
96.96008	8.6
109.48759	7.0
188.99255	7.3
198.25317	6.9
255.23218	37.0
264.58948	7.3
327.72260	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	392.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.89410	3.5
87.00865	4.5
88.31676	0.8
95.02789	0.9
115.00935	0.8
121.02939	3.7
122.03161	0.9
123.04530	2.1
147.04498	2.5
148.05002	1.1
149.06044	1.0
150.06450	1.2
193.05029	1.1
243.13824	1.7
261.14896	1.1
262.91653	1.2
290.90598	0.9
367.98859	1.1
377.58295	1.0
392.14301	8.2
393.15271	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27035	0.3
59.01372	1.0
61.98827	100.0
62.49952	0.3
67.51675	0.3
68.77519	0.3
71.01395	0.5
71.14245	0.5
72.07694	0.3
72.91555	0.3
87.00891	2.9
88.01218	0.3
93.03457	0.5
94.69002	0.3
96.66285	0.3
96.96006	0.4
107.05038	0.4
121.02941	2.5
122.03238	0.4
122.03819	0.6
123.04559	2.1
124.04901	0.6
130.99878	0.8
136.05345	0.4
137.02432	0.6
139.11311	0.5
144.94545	0.3
147.04529	2.4
148.05022	0.6
148.93538	0.3
149.06046	1.1
150.06454	0.6
161.02470	0.3
162.06856	0.5
163.04037	0.4
164.04669	0.5
165.05605	0.4
168.29945	0.3
176.19705	0.3
188.16985	0.3
191.03528	0.6
192.04034	0.5
193.05084	1.0
194.05428	0.8
233.15358	2.1
255.04823	0.7
261.15015	1.0
330.14301	0.5
332.12454	0.7
392.14322	5.7
393.15485	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	393.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14222	1.8
56.27709	1.7
57.03432	1.6
59.01374	23.4
62.00094	1.6
68.99810	2.3
69.36741	12.6
71.01376	3.5
84.68758	1.8
85.02943	2.4
86.71593	1.6
99.04529	3.2
101.02415	2.0
108.04558	4.9
109.02962	4.0
127.03967	2.1
129.01932	1.8
129.07092	2.4
134.80177	1.6
135.04495	4.7
137.02466	2.9
139.11237	1.8
143.05013	2.2
145.02975	5.7
146.03763	9.8
147.04521	6.1
148.05220	1.9
149.06039	3.2
157.06569	4.9
159.04509	25.5
160.05292	21.8
161.02429	7.3
161.06076	26.5
162.03252	2.8
163.03979	2.8
164.04776	1.7
167.05098	3.6
170.03749	2.6
171.04558	1.6
172.05263	2.1
173.05998	2.0
174.03220	6.2
175.04007	6.5
175.07635	2.8
183.04471	7.5
183.08141	2.0
184.05223	5.4
185.06073	36.1
186.06548	3.5
187.04008	14.9
187.07599	4.6
188.04764	18.5
189.01927	6.4
189.05490	7.4
190.02699	8.7
195.04523	4.5
199.07614	3.8
201.05547	21.4
202.06303	8.7
203.03490	15.2
203.07124	100.0
204.04228	7.4
204.07454	5.7
209.06090	6.8
211.03984	7.0
211.07628	6.6
212.04738	11.4
213.05528	22.1
215.03485	6.6
216.04280	1.9
217.05069	2.3
217.09811	3.8
227.03519	2.2
227.07126	17.7
229.05037	41.8
229.08629	2.0
230.02385	2.0
230.05792	30.3
231.02997	25.3
231.06505	14.3
232.03731	25.8
233.04391	2.3
240.04225	7.1
241.04849	2.7
243.02948	3.7
244.03770	1.7
245.04501	2.0
245.08176	8.6
247.06190	7.9
255.06607	42.9
256.06985	4.3
257.04395	3.0
258.04837	1.9
271.06107	4.4
273.04062	6.4
273.07654	22.1
274.04779	5.2
274.07797	3.0
299.05643	8.8
301.03558	1.7
317.06644	5.2
333.15701	2.7
343.04654	2.1
361.05472	5.6
393.17566	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	393.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33484	0.7
57.97560	1.2
59.01379	21.4
61.98823	1.8
64.20373	0.6
70.02960	1.8
71.01387	3.4
71.54142	1.0
73.02951	1.2
73.33604	0.6
74.02457	0.9
75.00863	0.7
77.80003	0.5
83.01367	1.1
85.02952	1.7
87.00868	1.7
89.02456	1.3
93.03444	1.8
95.01407	0.6
97.04073	4.4
99.03934	0.7
101.02444	2.1
111.00896	0.7
113.02460	1.4
119.05001	0.9
121.02917	1.1
122.03713	1.1
123.00867	0.8
125.02409	0.6
130.06635	4.7
131.05057	1.1
135.04523	0.7
137.02481	1.0
139.02219	0.8
142.43518	0.5
144.04507	0.8
146.03802	0.7
147.04510	2.0
149.02440	1.6
149.06079	2.3
150.03210	7.4
156.04573	1.1
162.03798	0.8
163.01004	1.0
163.02217	3.5
163.04002	0.5
164.01721	2.7
164.02995	3.7
164.04494	0.9
165.03802	3.4
165.05551	8.3
166.99889	1.0
172.07639	2.2
173.04541	1.3
174.03758	0.7
177.02440	0.8
177.03860	3.3
178.03304	3.9
179.04031	1.8
180.04779	1.7
182.02171	2.7
184.07730	1.1
187.04004	1.4
189.02530	1.3
189.05458	0.7
190.03320	25.4
190.06964	1.4
191.03587	2.3
191.05353	1.2
193.04979	0.9
195.06567	3.6
197.04503	6.3
199.08853	1.3
201.01968	0.6
201.05508	0.7
202.03233	1.0
203.04099	6.9
204.04869	14.3
205.05151	0.8
206.04483	1.0
206.06439	17.3
207.06651	1.3
209.02792	1.2
216.04396	1.3
217.04834	0.7
217.08719	0.7
218.06410	11.1
219.06708	1.4
227.06992	0.7
233.05110	2.4
234.02278	5.2
234.05820	3.8
243.10249	2.1
244.03798	0.8
245.08209	1.8
247.70877	0.6
248.03947	1.7
250.05394	6.9
255.06599	1.3
261.07092	4.5
262.05359	5.7
264.22189	0.6
273.07791	1.6
277.04221	1.7
278.04932	3.2
287.04834	0.9
305.05997	100.0
306.06323	11.1
333.19244	1.3
349.04974	4.8
351.20331	1.8
361.05804	1.1
393.12292	0.9
393.21442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03441	2.2
59.01377	100.0
60.01707	1.2
61.98835	1.0
65.21836	0.4
66.00792	0.4
69.03452	0.8
70.32009	0.4
71.01379	21.6
71.05004	0.7
71.53923	0.8
72.01725	0.6
72.99317	1.4
73.02940	8.9
74.30137	0.4
75.00870	1.4
76.86229	0.4
78.95895	0.6
81.03462	0.5
83.01378	3.4
85.02948	7.0
85.03407	0.6
87.00893	2.4
87.04525	1.4
89.02444	10.5
90.71328	0.4
92.86480	0.4
93.03481	1.4
95.01406	1.8
97.02950	0.8
97.06586	1.0
99.00901	1.9
99.04598	0.5
101.02441	11.5
101.06105	0.5
113.02452	13.5
115.07704	0.5
119.03487	4.1
121.03024	0.5
124.01627	0.4
125.02435	1.1
131.03520	0.6
134.03815	0.6
143.03539	1.3
147.04543	0.6
149.04572	0.8
149.06068	0.5
153.09142	0.5
155.03510	0.5
157.08676	0.5
159.03024	0.4
161.04535	5.4
161.05675	0.4
166.41800	0.5
173.04518	2.1
175.04062	0.6
179.05576	0.7
187.13373	7.7
188.13756	0.5
191.05649	1.1
193.05130	0.5
217.10860	1.0
217.14497	1.9
235.05959	0.7
255.09067	0.6
295.08243	0.6
331.17621	7.2
331.98288	0.5
332.18182	1.0
347.12946	0.5
349.18652	13.2
350.18976	1.0
355.10663	0.6
391.11926	0.9
391.15961	1.7
391.20630	2.6
392.11221	0.5
392.20410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33794	0.6
51.36970	0.5
56.24929	0.5
57.03429	1.9
59.01376	14.2
61.98826	2.7
64.64922	0.6
65.16463	0.5
69.03442	1.3
70.84187	1.2
70.84521	0.7
71.01357	1.6
71.54115	0.5
72.02168	6.7
74.91431	0.6
83.05029	1.2
87.00873	70.8
88.01190	0.8
96.96029	0.7
99.04390	0.6
101.20490	0.5
107.05019	1.0
112.05292	0.6
121.02914	1.1
122.03732	2.5
130.99858	51.3
132.00198	0.6
135.04517	2.5
137.02419	1.2
147.04477	1.9
163.03990	0.9
165.31422	0.6
192.04222	0.8
193.05122	0.6
203.48550	0.5
219.17569	1.0
236.96802	0.6
243.17522	1.2
254.04314	32.3
254.13321	0.7
255.04636	1.5
259.20605	5.5
261.22220	77.7
262.22559	9.2
285.22256	2.6
287.20139	7.0
288.20395	1.0
303.19812	2.1
303.23239	21.8
304.23514	2.3
305.21207	56.2
306.21506	6.3
331.19147	14.0
332.19577	1.3
345.20679	1.9
347.22235	100.0
348.22568	12.9
349.20178	28.3
350.20618	3.2
391.13983	5.8
391.21265	36.2
392.14233	0.7
392.21506	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	391.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.69287	0.5
61.98836	1.1
69.24155	5.1
70.64655	0.5
87.00871	100.0
88.01216	2.0
100.78543	0.7
121.02935	1.9
122.03715	2.5
123.04460	0.6
130.99858	70.2
132.00160	0.7
135.04482	2.0
137.02431	0.8
145.02943	1.3
147.04504	1.9
149.06055	1.3
163.04153	0.6
190.06390	0.9
192.04344	0.7
193.05058	1.6
197.89441	0.6
227.10762	0.7
241.12328	0.7
243.55833	0.6
254.04297	49.2
255.04543	2.7
373.12891	0.7
391.13998	8.9
392.14349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78440	1.1
59.01368	2.5
61.23365	1.1
61.98820	4.4
62.62081	1.1
69.03455	1.5
70.84348	2.9
87.00876	100.0
88.01199	1.5
93.03464	8.0
95.05013	1.3
103.05504	1.7
105.03463	1.5
105.36340	1.2
106.04278	1.3
107.05035	13.9
108.02179	1.5
119.05020	2.4
121.02954	64.1
122.03791	13.3
123.04533	9.0
124.01655	2.2
130.99863	58.5
134.03763	5.5
135.04509	3.9
137.02454	7.2
137.09732	2.3
139.03989	1.4
145.02919	2.7
146.03745	2.0
147.04520	26.7
148.05244	4.9
149.02406	3.2
149.06062	11.7
151.07593	3.6
152.08401	7.6
154.02702	2.4
161.02486	3.1
163.03995	10.2
164.04753	3.5
165.05577	6.8
166.02724	1.8
191.03520	7.2
192.04269	4.3
193.05080	13.4
194.02017	1.4
195.02879	1.3
231.13907	6.3
241.12398	3.6
254.04303	49.8
255.04692	2.9
259.13184	1.5
285.14709	1.5
301.14636	1.6
329.13864	2.0
331.11768	8.6
391.13953	95.0
392.14270	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03445	1.3
58.00596	1.1
58.92977	0.3
59.01378	100.0
60.01714	1.1
60.89214	0.3
69.03450	0.7
71.01378	22.5
72.99318	1.4
73.02943	11.4
76.96076	0.3
81.07123	0.6
83.01389	3.4
85.02949	6.1
87.00877	2.6
87.04536	0.7
87.05063	0.3
89.02444	15.0
93.03481	1.1
95.01409	1.3
97.02951	0.4
99.00902	1.3
99.04524	0.5
101.02441	19.8
101.06123	0.4
102.02768	0.4
111.08161	0.3
113.02451	8.5
114.02826	0.4
119.03503	6.4
125.02437	0.7
131.03531	1.2
143.03508	2.2
149.04573	1.1
149.06029	0.5
155.03497	0.4
159.02997	0.4
160.04095	0.3
161.04553	6.2
166.73705	0.3
173.04575	1.9
173.05957	0.6
179.05605	3.1
187.13377	6.2
188.13765	0.5
191.05678	0.8
193.05072	0.3
199.04073	0.4
201.05653	0.7
207.42522	0.3
211.09930	0.3
216.08943	0.4
217.10938	0.5
217.14604	0.4
244.08359	0.5
245.04628	0.5
259.05557	0.3
262.39975	0.3
279.39963	0.3
331.17584	3.7
349.18646	15.5
350.18945	1.7
391.15598	0.5
391.19476	2.4
391.23724	0.9
392.20142	0.5
397.55942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03435	0.5
59.01374	100.0
60.01712	1.6
61.59234	0.3
61.98832	0.6
70.88927	0.4
71.01379	8.9
71.24600	0.7
72.99307	1.1
73.02940	2.4
73.57715	0.3
75.00831	0.6
83.01387	0.9
85.02939	4.3
87.00871	2.0
89.02431	6.3
93.03458	1.4
95.01384	0.6
99.00892	1.3
101.02438	6.9
109.02943	0.5
111.00851	0.6
111.04547	0.6
113.02446	3.9
114.22743	0.3
117.03468	0.3
119.03501	3.3
122.20412	0.4
123.04481	0.4
126.34560	0.4
129.01961	0.4
131.03537	0.6
137.02469	1.8
138.25958	0.4
143.03496	0.8
147.04471	0.5
149.02435	0.5
149.06137	2.3
155.03511	0.4
159.04587	0.5
161.02501	0.5
161.04549	3.4
163.03928	0.4
173.04561	2.2
173.05930	0.5
175.02757	0.6
175.04042	0.4
176.03336	0.4
179.05566	1.9
191.05646	1.1
193.05045	1.3
207.06654	0.5
227.03465	0.5
229.18222	0.6
237.04111	1.4
238.43898	0.4
255.03099	0.9
267.06653	0.6
281.06665	0.7
285.03973	0.4
297.11456	0.9
309.11230	0.5
331.17722	1.3
353.10312	0.5
369.60297	1.5
370.10251	0.5
391.06372	0.5
391.10928	0.9
391.15527	0.7
391.19235	0.7
391.22861	2.4
391.27808	1.7
392.23538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22868	48.8
59.01361	84.9
61.98826	100.0
71.30666	53.8
116.21984	34.5
140.64517	34.8
182.57529	34.7
225.63367	34.4
249.51299	38.6
328.24799	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98817	69.6
69.13558	16.8
71.53407	25.0
89.63078	19.4
93.44949	16.8
96.96010	19.1
110.68925	19.1
127.71265	17.5
128.27515	17.7
176.56113	18.5
251.92152	20.7
276.45526	19.8
294.74640	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	0.9
61.98829	1.0
69.70248	2.0
76.60739	0.4
93.95910	0.5
104.34534	0.5
107.19196	0.4
110.45029	0.4
119.32144	0.4
124.89480	0.4
145.27271	0.4
175.99792	0.5
285.32352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58741	1.0
59.01378	100.0
69.70566	5.9
69.70860	1.8
196.81477	1.0
216.00264	1.1
380.09436	1.1
386.56326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82052	0.5
59.01372	1.7
59.89116	0.5
61.98828	100.0
65.30825	0.5
69.37696	2.1
69.38120	2.4
71.01392	0.6
72.02277	0.5
76.28227	0.6
79.95806	0.5
83.68295	0.5
85.55557	0.6
87.00877	8.5
87.91621	0.5
91.22168	0.5
93.03445	0.8
119.05011	0.8
121.02960	7.2
122.03746	1.3
123.04529	4.2
130.99872	1.3
137.02422	0.8
145.02927	0.8
147.04527	4.3
148.05310	1.1
149.06044	4.0
161.04807	0.6
162.03200	0.7
162.06868	0.8
163.04066	1.0
164.04744	1.1
173.06023	0.7
188.04823	0.8
191.03519	1.7
193.05066	3.9
241.12398	2.5
254.04396	2.0
259.13336	3.7
267.14249	0.7
269.11688	0.8
283.10626	0.6
285.14874	0.8
301.14630	0.7
313.10593	1.0
331.12097	2.0
390.13043	0.8
390.20993	0.5
391.13998	21.4
391.18845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63345	1.3
59.01378	7.7
61.98827	100.0
69.17857	11.5
77.43804	1.2
81.27810	1.1
96.86148	1.2
103.22414	1.4
122.58930	1.4
152.99620	1.5
185.95285	1.5
197.72255	1.2
241.19637	1.5
246.39015	1.3
255.23341	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	391.1396
Annotation	(-)-Vermiculine
Peak:m/z	Relative Intensity
53.30058	1.4
59.01367	4.4
63.23748	1.7
69.03446	1.8
69.38948	11.7
87.00872	99.4
88.01212	2.1
91.05531	1.7
93.03440	7.5
93.13859	1.4
95.05009	1.9
105.03415	3.7
105.78112	1.3
107.05018	9.2
108.02164	2.1
119.05019	4.0
121.02947	57.5
122.02936	1.4
122.03748	23.3
123.04532	11.9
124.01692	2.5
126.86697	1.4
129.03464	1.4
130.99857	57.6
134.03735	7.8
135.04507	4.8
137.02448	9.1
137.09712	4.0
139.04013	2.6
145.02921	5.1
146.03706	1.5
147.04504	27.7
148.05302	7.5
149.02496	2.8
149.06085	15.7
151.07594	2.2
152.08401	5.9
154.02737	4.1
161.02325	2.2
163.03993	9.6
164.04715	4.1
165.05554	8.6
165.33235	1.5
165.82570	1.5
177.05527	2.0
182.57379	1.6
191.03429	8.9
192.04242	5.5
193.05048	16.5
194.02263	2.1
195.02956	2.7
231.13858	6.3
254.04297	50.8
255.04721	3.3
259.13358	5.2
329.14017	3.8
331.11871	8.5
391.13950	100.0
392.14258	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01863	0.7
57.03429	1.1
58.00592	1.7
59.01379	57.1
60.01695	1.1
61.98822	1.1
67.01891	0.8
69.03446	0.7
69.77573	2.8
71.01382	22.2
72.99306	1.6
73.02953	2.5
80.31413	0.5
83.01392	2.2
85.02946	6.5
87.00886	1.6
89.02449	18.8
93.03445	0.9
95.01387	1.7
96.81706	0.5
97.06580	0.5
98.20634	0.8
99.00869	1.6
100.06460	0.5
101.02444	13.9
113.02443	7.0
119.03499	6.9
134.03783	0.5
143.03510	0.6
147.11824	0.8
150.03229	0.8
161.04565	1.4
162.03284	0.7
165.05580	0.9
173.04543	1.1
177.05533	1.4
179.05606	0.7
191.05576	1.2
193.05052	1.3
195.06677	0.7
209.11806	8.9
227.12766	1.2
237.71046	0.5
241.10719	0.5
242.35884	0.5
293.06662	1.1
313.11945	0.7
353.08771	2.0
357.11063	0.7
371.17072	1.0
389.18149	100.0
390.18463	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	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01870	3.0
57.03426	3.6
59.01381	81.2
61.98829	22.7
65.84737	1.1
67.01913	2.4
69.03458	1.9
69.18170	4.7
69.18591	8.1
71.01382	43.7
72.99301	2.7
73.02947	13.7
73.56518	1.0
75.00840	2.4
80.22102	1.1
80.94049	1.2
81.03465	1.2
83.01384	8.0
85.02947	19.4
87.00857	7.9
89.02444	17.5
89.02959	2.1
93.03448	7.6
95.01366	3.5
96.96019	3.6
97.02908	2.3
99.00866	8.7
101.01796	2.4
101.02444	32.9
109.02950	4.4
110.02511	2.0
110.45016	1.1
111.04504	2.2
113.02448	16.2
119.03484	9.2
121.02920	1.3
122.44953	1.2
125.02448	31.2
126.27057	1.2
129.01988	1.7
131.03503	3.6
134.03761	2.5
137.02444	45.7
138.03094	3.9
143.03465	2.2
144.02753	1.3
150.03268	2.1
152.04805	21.1
153.05536	4.8
153.09177	3.7
153.94107	1.1
155.03412	1.4
159.02994	2.0
161.04546	10.9
163.32979	1.1
165.05568	2.5
167.07130	3.6
171.10249	5.4
173.04541	14.5
178.02707	1.3
179.03511	4.9
184.03751	5.6
189.80133	1.2
191.05582	9.7
193.05013	4.7
194.05803	4.0
197.04532	3.0
197.08119	2.0
209.02998	2.0
209.08109	6.8
212.04892	1.5
212.06898	29.1
215.09218	24.3
215.92210	1.2
216.09592	1.4
227.09245	100.0
228.09546	5.9
292.08115	1.4
345.10895	2.6
389.14499	99.6
390.14746	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	389.1813
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03434	0.9
58.00572	0.3
59.01374	5.4
67.11338	0.3
69.37628	0.8
69.38042	1.8
71.01373	3.7
73.02948	0.4
85.02946	1.1
87.00840	0.4
89.02431	2.2
97.06583	0.4
98.19897	0.5
101.02431	1.5
110.17970	0.3
111.08161	1.5
113.02441	3.5
113.79797	0.3
119.03474	0.6
161.04573	0.8
165.12825	20.8
166.13142	1.6
179.05550	0.4
183.13879	71.6
184.14201	4.9
191.10847	0.4
197.15491	1.9
207.13902	1.5
209.11790	3.0
210.12061	0.4
225.14966	1.2
227.12862	100.0
228.13194	7.5
251.12836	3.5
269.13898	1.8
281.13757	0.3
389.18207	3.5
389.25537	0.4
390.18582	0.6
398.77307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17734	0.6
57.03435	0.7
59.01377	8.5
61.98825	1.7
62.81928	0.6
69.03434	0.8
69.30460	5.7
71.01381	1.3
81.61080	0.6
85.02937	1.6
87.00872	100.0
88.01225	2.4
88.17081	0.6
93.03468	1.0
97.06585	1.4
101.02428	0.8
109.02956	1.1
111.00896	0.7
117.03490	0.9
122.03702	1.6
123.04511	1.0
124.01558	0.7
129.03378	0.7
130.99892	4.1
133.02905	0.8
134.03668	0.9
135.04500	4.1
137.02467	1.0
143.04959	1.0
145.02995	3.1
146.03778	3.2
146.04733	0.8
147.02884	0.6
147.03436	0.8
147.04495	6.3
148.05235	1.6
149.02507	0.7
149.06068	3.9
150.03224	0.8
157.06567	0.8
159.04521	6.7
160.05286	1.0
161.02441	2.5
161.06061	1.3
162.03210	10.4
163.03896	2.8
164.04782	2.6
165.05515	0.6
172.05338	2.0
173.04648	1.1
173.05888	3.1
174.03145	3.3
175.03987	4.2
183.04456	0.9
185.06055	1.0
186.06857	2.2
187.03987	3.5
187.07632	0.9
188.04773	5.1
189.05525	2.6
190.02603	1.1
191.03448	1.1
193.05026	1.6
194.33707	0.7
196.05276	1.5
197.06036	1.0
199.07626	0.7
201.05663	1.3
203.03468	0.9
203.07185	2.0
204.04330	0.8
204.06612	2.4
209.06046	2.2
210.06831	1.2
213.05557	0.9
213.09087	1.2
214.06364	5.3
214.09828	0.8
215.10811	0.8
219.02917	0.9
223.07614	1.5
227.07190	0.7
229.12282	2.1
232.03735	1.0
239.07063	0.8
239.10692	3.6
241.08690	0.9
241.12306	0.8
242.09274	0.8
243.10211	1.1
249.06377	0.9
253.08382	0.7
257.11807	14.0
257.15402	1.2
258.12216	1.5
265.12357	1.1
267.10272	1.3
273.14957	2.2
283.13364	4.4
285.11237	4.0
293.05402	0.8
299.12866	2.1
301.14371	5.4
302.14871	0.8
311.09067	0.8
327.12344	2.2
329.23291	3.5
345.13321	1.1
347.24280	0.9
353.10153	0.6
389.12366	18.2
389.17139	1.4
389.25333	3.1
390.12512	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
59.76884	0.5
61.29912	0.4
61.98827	100.0
68.22823	0.4
72.99285	0.4
74.51044	0.4
79.95753	0.6
85.02974	0.5
87.00890	1.0
93.03466	0.5
95.95210	0.4
96.96013	1.3
98.19875	1.0
98.88918	0.5
135.04587	0.6
147.04503	1.1
159.78877	0.5
161.02563	0.5
163.04039	1.0
173.06172	0.5
174.03236	0.5
201.13065	0.4
208.03833	0.5
229.06468	0.5
231.06731	0.6
257.15552	0.5
301.14606	0.6
345.13547	0.7
388.06131	0.5
389.06717	0.7
389.12241	0.6
389.16855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03716	0.9
59.01366	5.0
61.98827	100.0
62.46149	0.9
63.19714	1.0
71.54041	1.3
83.23250	0.9
87.23046	1.0
88.80143	0.9
174.65672	1.0
205.50372	1.0
226.24838	1.1
268.39725	1.0
334.96738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	1.6
61.98290	0.7
61.98832	4.7
62.15629	0.8
63.10289	0.8
63.26547	0.7
69.03475	0.9
70.93716	1.2
70.94039	1.3
84.38267	0.8
85.02962	0.9
96.73493	0.8
97.02950	2.8
114.19962	0.9
125.02443	38.8
126.02783	1.2
278.61118	0.8
343.73965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01377	100.0
61.98827	13.0
67.58791	1.3
69.03444	1.7
71.01376	6.8
71.53821	1.5
78.95898	3.4
83.01395	1.8
85.02937	4.3
87.00883	2.6
88.03517	1.4
89.02438	5.1
93.03458	3.7
96.96019	3.4
96.96952	6.0
97.02937	3.1
98.02417	1.3
101.02437	4.5
105.12983	1.3
109.02937	3.2
113.02435	3.6
119.03506	1.7
125.02439	35.1
126.02805	1.9
137.02399	2.0
153.01889	2.5
153.09221	2.6
153.24226	1.2
158.53304	1.3
173.04500	11.0
191.05615	2.9
209.08080	1.7
215.09174	5.7
321.88681	1.4
327.07153	4.1
329.08640	1.4
353.14578	7.2
375.81064	1.3
389.12292	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	388.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.04885	0.3
69.50544	0.5
69.50950	1.8
71.04043	0.3
78.90816	0.3
197.59885	0.3
296.66473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
61.98829	100.0
63.36144	0.6
69.41380	4.0
71.03910	0.7
90.38152	0.6
104.39306	0.6
141.41222	0.6
278.36487	0.7
364.94400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25120	12.8
61.98825	71.7
69.24136	100.0
69.24545	19.3
83.28640	12.4
196.15787	12.6
203.32487	12.6
216.65727	12.0
256.36633	15.7
286.63907	12.9
324.59323	16.4
387.68774	15.6
402.20456	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54017	17.3
56.70217	18.5
59.01374	37.6
61.98838	100.0
68.76472	22.3
71.11105	27.0
71.11436	29.9
72.35450	23.8
245.10432	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	1.3
61.98823	13.7
71.07771	2.0
84.21165	1.0
86.46690	0.9
253.21704	8.3
254.21988	1.5
387.25156	1.7
405.31595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77012	0.4
53.30095	0.4
59.01380	6.9
61.98829	100.0
66.22867	0.4
67.01921	0.4
69.03441	0.6
69.54063	3.0
71.01379	1.9
73.02939	0.7
83.62570	0.4
85.02957	0.9
87.00877	1.7
89.02460	1.9
93.03468	2.1
95.01399	0.5
98.19894	0.8
99.00890	2.1
101.02433	0.7
108.23168	0.5
113.02464	0.7
119.03581	0.5
125.02467	0.6
144.77916	0.5
153.09187	1.1
154.00960	1.1
171.10284	0.6
173.04581	4.3
185.99976	0.6
191.05644	1.5
197.08290	0.8
208.60341	0.5
215.09184	5.9
241.10617	0.5
248.51003	0.5
301.03830	0.5
302.45142	0.5
337.34970	0.6
388.06909	1.1
388.11835	0.6
388.16891	1.2
389.09720	0.7
389.14307	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55276	0.5
54.44864	0.5
54.54180	0.5
55.01887	0.5
57.03448	1.5
57.08794	0.5
57.12546	0.5
58.00597	1.4
59.01378	90.1
60.00963	0.5
60.01704	1.0
61.98826	1.3
66.45161	0.5
68.99811	1.5
69.03470	0.7
69.35773	2.3
69.36201	1.9
70.97267	0.6
71.01379	22.1
72.99316	1.5
73.02950	2.9
83.01397	1.6
85.02950	6.5
87.00883	1.9
89.02439	23.1
93.03469	2.4
94.03782	0.6
95.01387	2.4
96.95979	0.7
99.00876	4.3
101.02438	14.3
111.04514	0.6
113.02444	10.9
119.03500	9.5
119.05004	0.6
131.03482	0.6
143.03539	1.1
149.04581	0.7
149.06111	0.5
153.01971	0.8
159.04587	0.8
160.08508	0.8
161.04558	2.5
163.03990	0.8
163.11282	16.7
164.11615	0.7
173.04544	2.4
179.05606	1.5
189.12836	0.8
190.02461	0.5
191.05708	0.6
207.10225	3.5
225.11308	1.0
239.07147	1.6
243.15984	0.9
281.08002	1.3
343.08136	1.5
347.63968	0.6
369.08768	1.2
387.16568	100.0
388.16876	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61793	0.5
55.01878	0.8
55.07598	0.5
57.03426	0.6
58.00586	0.9
59.01377	72.0
60.01725	0.9
61.05919	0.4
61.98832	2.0
69.69133	2.5
69.69528	0.8
71.01381	14.3
72.99289	0.6
73.02957	1.1
74.48031	0.6
83.01408	1.0
85.02951	3.7
89.02439	14.1
93.03446	0.6
93.75276	0.5
95.01376	1.1
101.02451	9.0
113.02444	6.1
119.03492	4.2
121.73515	0.4
130.62534	0.5
141.77617	0.6
148.06175	0.5
151.59351	0.5
163.11269	5.5
175.01591	0.5
179.05685	0.5
192.71292	0.5
207.10249	11.1
208.10611	0.9
212.75851	0.5
224.71420	0.5
371.38953	0.5
387.16586	100.0
388.16913	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01875	2.1
57.03453	1.8
58.00594	1.3
59.01379	100.0
60.01720	1.8
61.01802	1.3
61.98828	4.3
63.44030	0.7
69.03471	2.0
69.55981	4.2
71.01379	51.2
72.99300	2.1
73.02946	59.0
74.03255	1.0
75.00881	1.0
81.03473	0.6
83.01386	17.5
85.02944	9.2
87.00880	10.8
89.02435	16.2
93.03458	1.2
95.01380	1.8
96.96008	1.3
97.02944	1.8
98.19922	0.8
99.00884	2.9
101.02440	51.5
102.02793	1.0
113.02444	16.0
113.06059	1.0
119.03506	6.4
121.10234	11.5
125.02444	2.5
131.03484	2.4
136.01678	1.1
137.02443	0.9
139.11314	2.1
143.03482	3.1
147.04535	0.9
149.04556	1.7
149.06071	0.8
151.97519	3.0
155.03477	1.6
161.02544	1.1
161.04553	9.3
162.04845	0.8
163.04054	0.9
165.09192	20.0
166.99857	1.7
167.10831	1.2
173.04521	2.3
174.03220	7.8
181.04938	0.7
183.10284	7.5
188.04698	1.3
189.05560	2.2
189.12897	0.9
194.99280	1.7
203.07185	2.8
216.04147	1.1
221.08389	1.0
228.02728	0.9
231.06612	2.6
232.07210	0.9
243.05063	1.6
301.16629	1.2
319.08197	5.0
327.14487	4.3
345.15448	8.8
349.09348	1.7
351.10803	5.0
372.06885	1.0
387.16547	59.7
387.24368	2.2
388.16913	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	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.96218	0.5
58.00598	0.6
59.01377	69.6
60.01717	0.6
62.90464	0.5
64.56596	0.6
69.45926	2.9
69.46330	1.1
71.01379	15.2
72.99313	1.1
73.02972	0.7
78.36932	0.5
83.01386	1.4
85.02942	2.8
87.00854	0.6
89.02438	14.9
95.01357	0.8
98.19900	1.0
99.00892	0.5
101.02435	9.1
101.03088	0.6
113.02444	5.0
119.03501	4.6
143.06076	0.6
163.11290	4.8
168.46707	0.6
207.10248	11.9
208.10748	0.6
215.37544	0.6
355.29855	0.6
387.16592	100.0
388.16910	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
60.31019	0.5
61.98828	100.0
69.86017	2.6
101.37482	0.5
142.46748	0.5
170.72964	0.5
193.07072	0.6
206.06190	0.6
209.08275	0.7
342.65405	0.5
386.13281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.4
57.03434	3.0
59.01377	19.9
60.08015	1.1
61.98825	3.2
63.05734	1.0
65.17722	1.0
67.01889	1.2
68.99802	3.3
69.03458	2.5
70.53763	4.0
71.01383	24.2
72.99297	4.5
73.02939	1.8
75.00871	19.9
81.03419	1.4
83.01382	2.2
85.02450	2.2
85.02945	24.9
87.00881	9.7
89.02441	6.7
93.03453	49.7
94.03780	2.0
95.01373	7.5
99.00876	12.8
103.00357	3.0
111.00846	1.8
113.02448	33.6
115.00378	2.6
117.01900	3.2
123.04532	1.5
129.01924	2.1
136.01628	2.3
137.02437	100.0
138.02774	3.2
166.18953	1.1
175.02469	3.2
195.25749	1.2
200.95773	1.2
211.06064	12.4
231.05040	5.2
249.06133	58.5
250.06438	2.9
267.07184	57.3
268.07486	2.4
280.34354	1.2
325.09323	1.9
369.08176	2.3
381.08368	1.4
387.09277	89.0
388.09732	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	386.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83922	0.8
59.01366	2.0
59.89608	0.8
61.98828	100.0
79.95742	1.2
80.96516	1.6
94.84341	1.1
96.95972	1.4
97.06582	1.0
173.06007	4.1
174.06793	1.1
176.01146	0.9
199.07603	1.3
227.07108	1.2
227.10562	1.1
228.07869	1.6
229.35023	1.3
243.10330	1.2
244.10637	1.1
289.17734	1.0
386.17017	1.3
387.14688	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	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.0
61.98828	100.0
65.01670	1.3
66.68222	1.5
74.78275	1.3
85.85754	1.3
107.28970	1.4
122.03811	1.3
172.36203	1.3
261.78125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01720	1.2
61.98840	0.5
69.17095	3.7
71.01395	1.0
73.02949	0.9
75.37658	0.4
82.61604	0.3
85.02954	0.8
87.00880	3.9
89.02473	0.6
99.00893	0.4
101.02444	1.7
113.02441	0.9
137.02438	0.5
147.04588	0.6
149.06114	0.6
155.74945	0.5
161.02557	0.4
173.04605	0.5
223.04575	0.4
225.05728	0.7
226.06551	0.4
228.04300	0.6
251.07121	0.6
269.04489	0.4
269.08081	0.6
279.06671	1.1
297.07813	1.3
325.11472	1.4
341.06766	1.2
373.69843	0.4
385.01761	0.7
385.11450	0.5
386.12509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42785	0.3
55.86490	0.3
56.86737	0.3
59.21094	0.3
61.98828	100.0
68.85915	0.3
71.53568	0.4
71.53915	0.6
83.43375	0.3
87.65335	0.4
93.02074	0.3
104.84155	0.3
117.44018	0.3
130.08745	4.8
139.49130	0.4
165.01920	0.8
166.02663	0.3
170.07607	0.4
201.09198	0.7
322.20285	2.5
323.20648	0.5
325.11548	0.9
385.12875	1.3
392.66092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72024	2.0
59.01375	8.6
59.15169	2.6
61.98829	100.0
85.02966	2.0
89.47307	1.9
98.20673	6.5
114.73032	1.9
139.47163	2.1
198.26143	2.1
204.49326	1.9
212.63223	2.3
325.11459	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	386.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23796	1.0
59.01368	2.0
61.98835	5.0
62.07114	1.1
67.03978	1.1
68.21380	1.0
71.02644	1.6
71.02979	1.4
74.00688	1.6
87.00886	1.1
96.95978	1.4
97.06586	1.5
101.02439	2.2
101.08058	0.9
116.01756	2.9
122.03710	1.3
142.00938	4.8
152.03014	2.7
169.10550	32.2
170.10901	1.5
173.06053	4.3
179.10750	10.7
188.07919	1.3
195.08485	27.9
196.08759	1.2
199.07576	1.5
200.04736	1.3
200.08012	1.1
213.09544	100.0
214.09917	6.7
215.06807	2.2
216.07375	1.2
216.11020	1.5
226.09526	2.1
227.07072	2.5
227.10403	1.3
228.07942	2.3
229.08655	1.8
230.09106	1.2
243.10179	1.5
244.10640	4.1
300.12848	2.3
324.16953	1.3
325.14331	1.3
342.13727	1.5
386.16876	4.3
387.14172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77094	0.8
53.32369	0.8
55.01836	0.8
57.03405	1.1
58.49504	0.8
59.01382	6.4
61.98820	0.9
66.58261	0.9
69.03454	9.1
69.39047	6.5
70.37533	0.8
71.01380	11.3
73.02924	1.3
81.03372	1.1
83.46332	0.8
85.02924	3.3
87.00874	21.6
89.02423	1.5
92.02684	0.8
93.03456	16.7
94.03780	1.1
97.02924	1.6
98.19924	2.0
99.00854	3.2
101.02421	2.1
106.04177	1.3
107.04976	1.4
108.02117	1.2
113.02396	0.9
115.00329	3.1
119.05023	71.9
120.05321	2.6
120.49052	0.8
121.02957	1.9
123.04496	2.1
128.97585	0.8
129.18701	0.8
130.04196	2.6
130.99844	1.6
131.05046	4.1
132.05807	2.2
133.06572	2.2
135.04475	0.8
136.05284	1.8
137.02390	2.0
141.01857	1.6
143.04964	2.6
145.05569	1.2
145.06589	14.9
146.03679	1.1
147.04445	1.7
147.08086	3.2
148.99554	0.8
149.06021	2.0
159.04468	2.1
159.08092	1.5
160.81343	0.8
161.02245	1.4
161.05894	0.9
163.04002	100.0
164.04352	6.3
165.05602	2.0
165.09062	1.2
171.04501	4.6
172.05171	3.2
173.04480	3.7
173.05991	19.6
175.03902	1.5
177.05453	2.8
180.04161	2.4
185.00912	5.6
187.03961	1.9
188.04797	2.2
189.09244	1.2
191.07037	3.7
193.07059	1.4
203.03496	7.4
216.04066	1.1
217.05049	10.2
217.08574	1.9
219.02750	0.9
221.04573	1.4
223.07626	1.7
224.08412	0.9
225.09193	74.2
226.09505	7.3
235.09665	1.2
250.02673	5.2
251.10777	7.0
253.12332	6.8
254.12395	0.9
261.11017	1.0
265.04980	4.0
279.10089	3.8
297.11172	2.4
323.09036	4.1
324.09109	1.1
325.11270	1.9
341.10260	11.0
342.10336	1.4
349.09232	7.0
367.08203	1.8
385.09122	57.4
386.09470	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	385.0927
Annotation	Diferulic acid
Peak:m/z	Relative Intensity
52.77094	0.8
53.32369	0.8
55.01836	0.8
57.03405	1.1
58.49504	0.8
59.01382	6.4
61.98820	0.9
66.58261	0.9
69.03454	9.1
69.39047	6.5
70.37533	0.8
71.01380	11.3
73.02924	1.3
81.03372	1.1
83.46332	0.8
85.02924	3.3
87.00874	21.6
89.02423	1.5
92.02684	0.8
93.03456	16.7
94.03780	1.1
97.02924	1.6
98.19924	2.0
99.00854	3.2
101.02421	2.1
106.04177	1.3
107.04976	1.4
108.02117	1.2
113.02396	0.9
115.00329	3.1
119.05023	71.9
120.05321	2.6
120.49052	0.8
121.02957	1.9
123.04496	2.1
128.97585	0.8
129.18701	0.8
130.04196	2.6
130.99844	1.6
131.05046	4.1
132.05807	2.2
133.06572	2.2
135.04475	0.8
136.05284	1.8
137.02390	2.0
141.01857	1.6
143.04964	2.6
145.05569	1.2
145.06589	14.9
146.03679	1.1
147.04445	1.7
147.08086	3.2
148.99554	0.8
149.06021	2.0
159.04468	2.1
159.08092	1.5
160.81343	0.8
161.02245	1.4
161.05894	0.9
163.04002	100.0
164.04352	6.3
165.05602	2.0
165.09062	1.2
171.04501	4.6
172.05171	3.2
173.04480	3.7
173.05991	19.6
175.03902	1.5
177.05453	2.8
180.04161	2.4
185.00912	5.6
187.03961	1.9
188.04797	2.2
189.09244	1.2
191.07037	3.7
193.07059	1.4
203.03496	7.4
216.04066	1.1
217.05049	10.2
217.08574	1.9
219.02750	0.9
221.04573	1.4
223.07626	1.7
224.08412	0.9
225.09193	74.2
226.09505	7.3
235.09665	1.2
250.02673	5.2
251.10777	7.0
253.12332	6.8
254.12395	0.9
261.11017	1.0
265.04980	4.0
279.10089	3.8
297.11172	2.4
323.09036	4.1
324.09109	1.1
325.11270	1.9
341.10260	11.0
342.10336	1.4
349.09232	7.0
367.08203	1.8
385.09122	57.4
386.09470	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	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
57.03447	12.6
58.03760	0.9
59.01373	10.9
70.53778	2.1
70.54165	2.7
71.01381	8.0
72.99306	3.2
73.02952	2.2
75.00869	0.9
81.03455	1.3
83.01390	2.6
84.02146	2.3
85.02948	100.0
86.03278	2.2
87.00869	2.9
89.02444	1.7
93.03468	0.9
99.00872	1.8
101.02429	5.8
101.07357	1.0
103.00359	1.6
111.00862	2.3
113.02417	2.8
115.28848	0.9
119.13129	0.9
125.02438	3.4
129.01955	10.0
133.01434	1.2
134.03769	5.0
144.86909	1.0
147.02975	10.4
151.04047	1.0
173.04565	2.3
191.01981	24.3
191.05560	3.5
193.05258	1.8
193.07198	11.0
205.03539	3.9
209.03035	18.3
223.04594	20.9
250.02493	1.0
325.11331	17.6
326.11639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.7
57.03437	2.3
58.28675	0.6
59.01371	3.5
60.37009	0.5
61.98825	0.7
69.03437	1.2
69.23511	2.1
69.23932	2.7
71.01379	3.1
72.99306	13.8
72.99694	1.1
73.02963	0.8
75.00867	2.8
77.78066	0.7
80.18368	0.5
81.03455	8.4
83.01398	0.7
85.02952	11.4
85.87065	0.5
87.00871	8.0
89.02454	1.1
93.03447	2.4
97.02969	0.7
99.00886	7.8
101.02442	1.1
109.51968	0.6
110.06125	0.6
113.02445	4.2
115.00372	0.9
117.01933	2.0
121.02966	2.7
122.06150	0.9
123.04523	0.9
125.02451	28.1
126.02790	1.2
129.01944	22.8
130.02254	0.6
130.99823	0.6
131.03500	1.4
134.03717	0.8
135.04521	2.4
136.05257	1.0
143.03482	4.3
147.03008	11.1
147.04295	0.8
149.02434	16.7
149.03632	0.9
149.06099	1.0
150.02733	1.0
152.01125	3.1
161.04573	1.0
161.05965	0.7
163.03996	2.8
163.07671	1.0
164.04790	14.6
165.05351	1.0
169.01468	0.9
169.05121	1.1
173.04599	1.3
174.01677	5.2
175.03885	0.8
179.03517	1.1
179.07114	4.8
181.08670	1.1
191.01924	1.8
193.01427	8.0
193.05042	0.6
194.01773	0.7
205.03503	18.3
206.03903	0.7
208.03767	17.8
209.04176	1.6
209.06653	2.1
211.09859	0.9
223.04564	100.0
223.06200	26.8
224.04692	4.1
224.06725	1.5
233.04424	0.6
233.85847	0.6
235.09937	0.7
267.08807	0.6
315.77539	0.6
325.09030	1.1
367.10202	2.0
385.11432	13.3
385.15866	1.1
386.11670	1.0
401.22482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03447	12.9
59.01377	10.7
61.98831	2.6
68.99812	1.0
69.37588	3.1
69.37996	1.4
71.01376	4.8
72.99308	2.1
73.02947	0.9
75.00852	1.9
78.73883	0.7
81.03463	0.8
82.70360	0.8
83.01386	1.8
84.02168	2.8
84.20999	0.7
85.02950	100.0
86.00283	0.7
86.03283	2.5
86.34139	0.7
87.00871	3.0
93.03446	4.0
99.00903	1.2
101.02440	1.8
103.00349	1.2
111.00872	3.2
111.99551	0.7
113.02438	1.1
119.05067	0.8
125.02425	2.0
129.01944	9.0
133.06595	1.0
134.03761	5.7
136.01665	1.7
137.02405	1.9
147.02998	10.5
149.06107	0.8
151.04007	3.4
155.03470	0.9
163.04030	1.8
164.04771	2.0
173.00897	0.7
173.04552	9.6
173.06044	1.0
177.05533	1.8
191.01970	31.8
193.05090	3.9
193.06964	1.3
205.03458	4.2
209.03041	9.4
211.06114	3.2
211.25992	0.8
212.06458	1.0
223.04558	18.8
224.04958	1.1
279.12387	0.7
290.01474	0.7
325.11423	2.2
385.07410	1.3
385.11554	2.5
386.11118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Sinuflexibilin
Peak:m/z	Relative Intensity
51.35783	0.5
57.03449	0.9
59.01374	2.1
61.98819	2.4
71.54794	0.6
73.02941	1.7
93.43288	0.6
96.44337	0.6
97.06522	1.2
102.98204	0.6
104.16206	0.7
104.96754	0.6
109.06617	0.6
111.08176	0.6
123.08171	2.0
125.09702	4.1
137.09737	1.5
160.95457	0.6
165.12817	2.3
167.14432	1.0
171.10266	8.1
177.12871	0.9
183.13858	0.7
195.13960	1.0
197.06111	0.7
197.11716	0.7
209.11993	0.9
213.05714	0.7
225.05608	1.1
227.12788	0.7
239.03508	0.9
239.12845	1.6
241.05067	1.1
253.04936	1.0
291.19763	1.2
296.03091	0.9
297.04010	4.5
298.04791	6.3
303.23438	1.2
309.20819	1.4
313.07205	2.2
321.24316	2.6
324.10043	0.6
325.03525	1.4
337.23950	0.8
339.25400	5.8
340.25690	0.6
341.11026	0.6
344.05490	0.6
347.22086	0.9
352.96872	0.6
365.23367	4.0
367.08487	0.7
368.08972	12.9
369.09387	1.9
383.11362	25.3
383.24362	100.0
384.11621	3.2
384.24673	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	384.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29324	0.4
57.03442	2.6
59.01382	1.6
61.98827	100.0
68.06400	0.4
73.02943	1.4
75.00871	0.6
76.02154	0.4
87.00886	0.5
90.53333	0.4
96.96035	0.7
97.06601	0.9
101.02432	5.5
113.02465	0.7
132.36366	0.4
137.02478	0.5
159.04543	1.5
159.08165	0.7
162.06816	0.5
166.99849	0.5
171.04501	1.0
171.08211	0.8
172.05315	2.5
173.06049	1.0
185.06091	1.5
186.06889	1.7
187.07622	2.9
191.03499	0.9
193.07164	0.5
196.05339	1.7
197.06058	1.0
199.03954	0.6
199.07646	1.7
200.04771	0.7
200.08508	0.7
201.09201	4.6
202.06366	1.3
203.07210	1.0
214.06354	3.3
214.51682	0.5
215.07152	4.6
215.10764	1.2
225.09221	5.6
226.10002	1.1
228.07928	1.3
229.08629	3.0
231.06534	0.8
243.10223	8.8
244.11058	1.6
245.08173	2.0
287.09320	0.5
288.10104	0.5
323.16580	2.1
325.11292	1.9
341.14008	0.7
341.17783	0.6
384.11996	1.1
385.12650	0.9
385.16656	8.4
385.26123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
60.18062	0.6
61.98826	100.0
66.91740	0.7
71.01401	1.0
71.20253	1.3
85.02949	1.9
101.02438	1.4
118.41999	0.8
127.18611	0.8
155.88101	0.8
164.03448	0.8
193.07195	1.8
210.58817	0.7
221.36571	0.8
284.03564	1.2
325.11392	2.4
359.28375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22644	0.6
55.01876	3.1
57.03452	2.6
57.39718	0.5
58.00591	1.2
59.01377	32.8
61.98813	1.3
69.03443	1.5
69.79291	2.6
71.01379	52.7
72.01703	1.0
72.57895	0.6
72.99297	1.7
73.02945	19.9
73.03358	1.0
75.00854	2.2
81.03457	0.9
83.01381	8.9
85.02950	21.4
87.00874	3.8
89.02439	22.7
92.03178	0.5
95.01380	3.8
96.95984	1.1
97.02940	3.5
99.00881	12.7
99.04507	0.7
101.02438	47.2
102.02741	1.1
105.54610	0.5
110.36861	0.5
111.00910	1.3
113.02451	19.2
114.02752	0.8
115.03990	3.1
119.03476	2.8
125.02444	4.6
127.80042	0.5
129.01933	1.4
131.03473	3.3
143.03500	3.6
149.04556	5.8
149.05806	0.8
159.02948	4.3
161.04546	25.1
162.04880	0.9
171.73904	0.6
172.86823	0.6
173.04518	1.0
175.03860	0.6
191.05606	2.7
193.05128	0.6
205.03476	0.7
209.04596	0.7
233.06644	3.9
251.11336	57.4
252.11662	4.1
265.61340	0.6
285.06189	0.6
293.08752	2.3
298.27527	0.5
302.86154	0.5
383.15558	100.0
384.15915	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	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
59.01612	0.9
61.98817	2.7
69.03421	1.1
70.44592	1.0
70.44932	2.8
71.01366	2.0
82.26249	0.9
83.05063	0.9
85.02943	3.1
87.00871	29.3
93.03450	2.2
97.06595	1.9
101.02439	1.2
113.02471	1.5
119.05029	9.7
121.02946	1.9
123.04544	0.9
130.99808	2.3
133.06570	1.1
137.02382	1.6
144.05600	1.1
145.02927	2.5
146.03757	1.3
147.04518	2.9
148.05276	1.0
159.04468	1.8
161.02370	1.3
161.06029	1.6
162.06866	6.5
163.03973	5.7
163.07628	6.4
172.05275	5.9
173.04527	2.9
173.06026	2.8
173.09706	9.3
174.03215	2.3
174.06781	1.0
175.03966	4.1
175.07611	16.2
176.08046	1.2
177.05571	1.2
179.10742	1.7
186.06805	4.9
187.07578	3.6
188.08331	2.0
189.05524	3.4
189.09172	3.6
190.06323	15.0
191.10756	9.1
193.04962	1.2
198.06776	2.0
200.04738	1.1
201.09200	28.0
202.06415	1.1
202.09641	2.1
203.07158	1.3
204.07857	3.5
209.11652	1.1
215.07193	1.3
217.08640	2.7
218.09547	0.9
219.10245	51.7
220.10507	4.6
221.11816	1.5
227.10764	7.8
228.07855	2.4
229.08681	4.2
232.07506	1.5
233.08058	1.3
233.11824	3.4
237.06075	1.7
243.10234	2.0
245.08250	1.9
245.11737	2.2
251.12869	2.2
253.08730	1.6
261.11276	10.1
271.09698	5.5
273.07617	3.5
289.10815	7.0
291.08725	4.2
297.07626	3.0
323.11365	8.6
333.09769	1.3
339.08804	1.6
347.10989	1.3
351.10889	17.2
352.11224	2.1
353.10144	1.0
365.12445	18.8
366.12634	2.1
383.13437	100.0
384.13803	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	383.1344
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
55.70704	1.0
58.30886	1.0
69.01858	0.9
70.15219	3.5
77.31083	1.0
79.92033	0.9
81.27869	1.1
83.04987	1.2
87.00867	13.9
93.03439	2.7
95.05030	1.1
97.06580	27.2
98.06904	1.2
98.19962	1.1
103.05526	1.3
103.94012	1.0
105.03458	1.1
107.05045	7.6
111.04488	4.0
112.05279	1.8
113.06057	1.5
119.05019	1.3
121.02953	57.6
122.03761	16.9
123.04491	3.6
135.04497	2.8
137.02423	3.7
139.04070	1.0
147.04517	23.5
148.05345	8.0
149.02444	1.6
149.06102	2.1
158.75764	1.1
163.04007	16.6
164.04767	6.6
165.05501	1.6
179.71797	0.9
191.03542	7.6
192.04315	5.0
201.09200	1.5
214.94794	1.0
219.10178	4.2
233.07928	1.1
245.11958	1.1
261.11310	2.1
274.18332	1.1
289.10703	1.9
291.08752	1.8
321.13593	1.2
323.11362	11.9
324.11783	1.5
351.10693	5.3
383.13425	100.0
384.13739	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	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
63.14523	0.8
64.52903	0.7
65.00060	0.7
69.18253	5.7
69.18671	3.1
71.05038	0.8
79.05567	0.8
80.48540	0.8
81.14698	0.7
87.00869	17.8
91.05512	0.9
93.03464	4.4
97.06577	10.8
98.19918	1.5
105.03470	1.6
107.05028	17.6
108.02130	1.2
111.04507	1.8
112.05292	15.8
119.04981	2.8
121.02950	48.8
122.03787	9.9
123.04494	2.5
130.99799	1.4
135.04529	1.8
137.02429	4.3
139.03958	0.9
141.71309	0.8
143.05008	1.1
146.03656	1.4
147.04507	25.4
148.05333	4.7
149.02402	1.7
163.03995	16.3
164.04776	7.1
165.05522	1.7
172.05193	1.1
175.07649	1.3
191.03452	7.7
192.04268	6.5
194.02188	0.9
201.09193	8.3
219.10291	1.5
254.04257	1.9
261.11169	2.3
289.10806	1.0
291.08740	2.6
323.11334	9.4
337.33472	0.9
351.10800	8.6
383.13409	100.0
384.13831	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	383.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.5
59.01634	1.9
71.01407	6.2
71.53127	1.4
72.99285	1.6
73.02929	3.5
75.00856	2.3
78.95907	8.2
83.01402	2.1
85.02939	9.8
87.00878	12.6
89.02435	5.4
93.03445	2.1
96.96002	5.4
96.96958	6.4
101.02404	2.8
110.98475	1.6
111.04507	1.5
113.02435	2.3
119.03449	2.0
127.03987	2.3
129.01913	2.8
149.04526	2.8
156.25093	1.4
165.04033	3.5
173.01176	1.2
175.04004	2.0
179.05557	3.0
191.05612	100.0
192.05920	3.6
195.05083	3.7
209.06610	4.0
250.55093	1.3
341.10925	3.8
346.48682	1.3
383.13153	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	383.1133
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
59.01373	2.3
61.30210	0.8
61.98571	0.7
61.98828	7.6
65.00320	4.9
69.99171	0.7
70.31519	2.7
72.99283	0.9
80.68732	0.7
84.14281	0.8
110.00092	13.7
111.00887	6.7
113.02454	1.8
119.01402	0.8
123.00847	1.9
133.02951	0.9
136.98808	4.7
137.99567	3.0
139.00369	16.4
147.22926	0.7
151.00334	1.5
161.02458	0.8
162.52640	0.8
163.00374	1.2
164.01132	1.4
165.99075	14.3
166.99675	0.8
169.27965	0.7
171.61937	0.7
183.04510	1.1
196.00063	1.1
197.06033	0.9
199.03896	1.1
211.03976	1.7
213.05515	1.7
215.03439	0.9
225.05589	1.8
227.03456	2.3
229.05049	1.3
229.08632	2.7
241.05060	2.4
253.05009	3.6
255.02950	2.4
257.03564	1.5
269.04453	1.1
271.02417	2.7
271.09720	1.2
283.11969	0.8
283.64120	0.9
284.10406	1.6
285.03671	1.7
286.04718	2.3
296.10248	1.3
297.04025	0.9
297.07413	0.8
299.01929	3.0
313.03610	2.3
314.04254	3.1
323.09390	1.2
325.03506	21.9
326.03787	1.8
353.06558	1.5
368.08975	41.2
369.09351	7.0
383.11304	100.0
384.11670	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	383.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59007	0.4
65.00334	1.5
69.95318	2.1
95.15820	0.4
106.00636	0.7
107.05019	1.3
119.01379	0.6
135.00890	0.9
136.98799	0.5
146.03729	10.7
147.04135	0.6
149.99556	1.1
151.00348	1.0
155.05035	0.9
157.06580	2.3
160.98776	1.1
161.99600	3.6
163.00375	6.0
169.06584	1.7
170.07257	0.6
181.06575	1.6
182.03706	0.7
183.04466	0.9
185.06049	1.5
189.99048	0.7
190.99858	24.3
192.00244	1.3
196.05309	0.6
197.06088	3.2
198.06810	2.0
199.03987	0.6
209.06081	1.0
210.03255	0.8
211.03949	0.8
212.04794	0.7
213.05563	3.8
214.06306	0.9
223.03970	0.5
224.04741	1.5
225.05574	6.0
226.02698	1.7
226.06270	1.1
227.03487	1.6
238.02711	0.8
239.03474	1.1
240.04272	0.9
241.05070	11.1
242.05461	2.2
251.03470	1.1
252.04286	1.0
253.05040	8.8
254.02242	4.0
254.05792	9.9
255.02962	3.6
255.05421	0.5
268.03790	0.9
269.04532	10.1
270.05161	1.9
281.04514	4.4
282.01764	5.4
282.04681	1.0
283.02423	11.6
284.02643	0.9
296.03217	2.7
297.04016	38.2
298.04776	80.9
299.05130	6.9
309.04102	1.0
312.06519	2.9
312.09714	0.8
313.07156	58.1
314.07425	5.9
333.07993	0.6
335.05618	1.2
349.07248	0.5
350.07910	1.1
365.10345	2.5
367.08292	0.9
368.08960	56.4
369.09283	7.6
383.11316	100.0
384.11633	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	383.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.42051	0.4
61.98845	0.6
68.25613	0.4
68.49387	0.5
70.39710	1.5
70.68253	0.4
71.01393	0.5
85.58467	0.4
87.00865	1.1
89.02481	0.6
96.96042	0.6
98.39594	0.5
110.00119	0.4
113.02522	0.5
121.60336	0.5
148.01695	1.3
149.02431	0.8
152.39810	0.4
157.97153	0.5
161.02533	0.8
161.99631	0.6
165.98994	0.8
188.01074	2.4
190.99875	0.9
196.05342	0.7
197.05972	0.7
211.04065	1.0
212.04747	1.6
213.05566	0.6
214.06226	0.4
223.03947	0.6
224.04807	1.8
224.18452	0.4
225.05527	1.1
226.06281	0.7
227.03355	0.6
230.36165	0.5
239.03477	1.8
240.04237	4.2
241.05057	3.1
251.03499	1.3
252.04239	7.1
253.04988	2.8
267.03162	1.0
268.03705	2.7
269.04538	3.6
270.05118	1.0
281.04501	0.6
291.19611	0.6
295.02533	2.6
296.03226	21.1
297.03894	7.0
298.04785	26.5
299.05066	3.1
309.20593	1.1
311.05490	1.5
312.06241	2.5
313.07138	6.2
314.07388	0.6
324.09839	0.7
344.05362	4.1
349.07309	0.5
350.07956	1.6
351.08545	0.5
365.10217	1.9
367.08029	1.3
368.08951	61.1
369.09280	7.5
383.11310	100.0
384.11670	13.9
384.16663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1134
Annotation	Oxyisocyclointegrin
Peak:m/z	Relative Intensity
59.01374	1.7
61.98830	9.8
64.42390	0.5
65.00304	0.6
71.54855	1.0
87.00883	0.8
92.34814	0.6
106.07763	0.5
110.00085	1.1
119.05018	1.0
122.98573	0.5
149.17897	0.6
151.00368	0.9
157.02943	0.7
158.03795	0.5
160.98732	0.8
161.99628	0.6
165.12819	0.7
167.05003	1.0
181.06671	0.6
183.04553	0.7
183.13872	2.1
187.07553	0.6
190.99802	2.7
192.00426	0.6
197.05989	0.7
209.06046	1.7
211.03986	1.1
213.05530	0.7
215.07167	0.6
224.04942	0.7
225.05586	2.1
225.70168	0.5
226.06319	1.5
227.12794	3.2
235.03862	0.7
237.05563	3.9
241.05357	0.5
241.08638	0.6
253.04964	3.3
254.05804	1.7
263.03534	1.7
263.06732	0.6
265.05008	5.0
266.05826	3.2
267.02902	0.7
281.04541	5.6
282.05032	0.9
291.03030	0.6
293.07990	0.7
294.08884	0.7
306.08893	1.4
309.04044	30.7
310.04810	35.4
311.05264	3.9
311.08542	0.7
321.07678	1.2
325.07095	7.8
333.07648	0.9
335.05600	1.6
349.07257	2.1
350.07925	16.6
351.08441	3.4
353.06415	0.6
365.10300	2.1
367.08261	1.0
368.08969	55.6
369.09323	6.2
383.11328	100.0
384.11670	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	383.0983
Annotation	Euoniside
Peak:m/z	Relative Intensity
56.71622	0.4
59.01377	3.3
61.98825	1.5
70.90173	1.0
71.01054	0.4
71.01360	2.5
73.02952	0.7
73.92077	0.5
84.02187	0.7
85.02952	1.9
87.00877	0.8
89.02433	0.7
91.05524	1.5
93.03447	6.1
95.01350	0.5
96.95987	0.5
101.02415	1.1
106.04249	1.0
107.05025	2.7
108.02188	0.7
109.02926	0.6
111.60035	0.5
113.02452	0.7
119.05077	0.6
121.02988	0.6
131.05034	3.3
132.05824	3.4
133.06590	73.2
134.06906	3.9
147.04515	0.8
155.42786	0.4
159.04483	0.5
161.04503	1.0
166.05086	1.6
174.91946	0.4
177.05553	100.0
178.05894	7.5
203.03561	0.6
210.04066	1.2
241.25920	0.5
323.17139	0.7
339.10803	2.6
383.09808	29.2
384.10046	3.4
384.17038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0768
Annotation	(3E)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic acid
Peak:m/z	Relative Intensity
59.01364	2.1
61.36213	0.6
61.98826	2.0
63.76948	0.5
64.83578	0.6
67.28891	0.7
70.83727	1.4
71.01351	0.7
77.25115	0.6
87.00866	3.9
89.02479	0.6
93.03452	14.4
94.03800	0.8
119.05008	4.0
120.01888	0.6
121.02936	2.4
123.04520	0.9
129.03406	0.5
130.04248	0.6
130.99803	0.8
131.03403	0.6
131.05072	0.8
132.02173	0.6
134.03741	0.6
145.02992	1.4
146.03738	10.2
147.04515	6.2
159.04491	4.1
163.03964	0.7
173.04488	1.7
173.05975	1.0
175.07622	7.2
179.10896	0.6
183.08154	0.6
186.66347	0.6
187.07637	0.7
189.09172	0.6
190.06288	1.2
197.09692	1.1
199.04076	0.7
201.05560	1.1
201.09126	1.4
203.07117	0.7
209.05891	0.6
209.11795	2.2
210.06691	0.9
212.04758	1.1
214.06367	4.9
219.06607	13.2
219.10196	2.6
220.39435	0.6
225.09196	5.7
227.07034	3.7
235.07668	1.0
245.04485	0.8
251.07233	1.2
252.07767	0.7
253.08675	47.9
254.08994	4.8
295.09546	1.6
297.07654	100.0
298.07999	11.0
324.65448	0.8
339.08704	43.9
340.09055	7.1
351.11011	1.6
383.07718	18.5
383.13229	5.0
384.08017	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
57.23331	0.5
59.01389	2.5
67.01881	0.6
68.27161	0.4
69.31072	4.2
71.01369	1.6
72.99306	0.6
76.93595	0.5
83.05022	0.6
84.23502	0.5
85.02953	9.3
87.00867	4.2
89.02455	0.7
93.03443	2.5
99.00883	1.0
101.02459	0.8
109.02991	0.8
111.04520	1.1
112.98849	0.5
127.03983	2.0
129.01965	0.9
147.02986	0.6
173.00952	0.9
173.04482	1.0
177.05586	1.1
191.05602	100.0
192.05946	5.2
200.14114	0.5
267.04327	0.6
301.77264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05420	0.6
52.76141	0.5
55.29342	0.5
59.01379	5.2
61.98831	9.6
65.77213	0.5
69.03478	0.5
71.01377	2.8
71.53487	0.8
76.03276	0.6
83.01422	0.6
85.02944	3.6
86.43519	0.6
87.00873	9.8
89.02441	1.6
93.03458	7.4
99.00875	0.6
101.02435	0.9
106.04266	0.7
107.05027	0.8
108.02165	2.3
109.02951	1.8
111.04534	0.7
112.93660	0.5
113.02437	0.6
119.05025	1.5
121.02956	1.6
121.06567	1.8
122.03745	1.9
123.04517	1.7
124.01606	0.8
124.14475	0.5
125.02443	0.9
130.04250	0.9
131.05043	2.5
133.02965	1.2
134.03763	1.5
135.04517	2.8
137.02434	2.9
139.04012	2.4
145.02953	1.0
147.04510	8.4
148.05299	6.1
149.06076	100.0
150.06396	5.3
155.03445	0.7
159.04465	4.4
161.02461	1.1
161.06056	0.8
162.03186	0.7
163.03951	0.9
163.07616	0.7
164.04843	0.5
165.05545	1.0
171.04318	0.5
172.05338	0.6
173.04544	4.9
173.06070	1.9
175.04008	2.9
175.07605	1.2
178.02628	0.7
179.03456	0.8
179.07091	0.7
189.05516	1.1
190.06274	0.7
191.05577	1.6
191.07137	0.8
192.04274	1.4
193.05042	81.9
194.05374	6.0
201.05479	1.0
201.09149	0.9
203.03510	0.6
204.04237	0.7
209.04358	1.3
219.02954	2.2
219.06548	0.7
219.10229	1.2
235.06015	0.9
237.04002	3.1
253.08623	0.8
259.09708	0.5
263.05530	0.8
267.10327	2.2
323.07843	0.8
339.10934	29.4
340.11264	3.7
351.10330	0.6
365.08853	4.2
383.09790	27.9
384.09698	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	383.0771
Annotation	Tetracenomycin F2
Peak:m/z	Relative Intensity
52.90872	0.6
61.98818	1.1
63.94501	0.6
67.10365	0.7
75.33527	0.6
87.00874	2.5
93.03453	100.0
94.03766	3.5
123.04510	1.4
131.05025	2.3
135.04480	1.4
137.84518	0.7
145.02945	2.2
146.03760	3.5
147.04509	4.5
150.19966	0.8
158.03723	3.9
159.04503	59.8
160.05060	2.5
172.05267	2.2
173.06073	22.4
174.06543	1.2
175.03947	1.5
175.07664	5.5
187.07658	0.9
190.06395	3.8
201.05579	8.3
201.09193	3.0
202.05956	1.0
203.03563	1.0
209.06073	0.8
216.07744	0.8
219.06601	2.9
219.10283	4.4
225.05389	0.8
227.10791	1.4
229.45316	0.9
235.07632	1.3
237.05574	2.2
238.06233	1.6
239.07120	2.0
245.04544	3.1
245.08191	1.0
245.11871	0.8
251.07103	12.5
252.07610	1.7
253.08673	20.1
254.09032	2.0
261.11441	0.9
265.55444	0.7
267.10226	45.6
268.10599	3.9
273.07755	1.2
287.37665	0.8
289.10880	1.9
295.09720	7.1
297.07681	16.9
297.11032	1.2
298.07999	1.9
306.05347	5.3
321.07745	1.9
323.11081	0.8
339.08688	46.6
340.08972	4.3
351.10858	2.2
365.12445	1.3
383.07721	15.9
383.13382	8.1
384.08005	1.6
384.13751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.8
57.03445	3.5
58.00591	1.2
58.31351	0.4
59.01376	32.3
61.98809	0.5
67.01877	1.1
68.99784	0.7
69.03454	1.9
69.40603	1.9
69.41038	1.7
71.01378	41.4
72.01728	0.9
72.99299	2.7
73.02943	26.7
75.00874	1.5
81.03484	0.8
83.01379	12.2
85.02946	26.7
85.06553	0.6
86.00091	1.8
86.01374	0.4
86.03304	0.5
87.00867	10.7
87.08186	0.9
89.02433	10.7
89.02939	0.9
89.53699	0.6
93.03486	1.1
95.01385	2.7
96.31053	0.4
97.02950	2.2
97.06570	1.0
98.04631	0.5
98.19968	1.1
99.00875	10.5
99.04460	0.5
101.02438	55.8
102.02773	1.1
111.00877	2.2
113.02442	18.6
114.02767	0.6
115.04015	1.5
119.03481	0.5
123.04482	0.5
125.02454	3.3
129.01904	1.3
130.99867	0.7
131.03496	3.6
134.03766	0.5
135.04518	0.5
137.02492	0.5
143.03502	2.1
147.04527	0.7
149.04550	1.9
149.06064	3.7
157.08713	1.0
159.02985	3.2
159.04488	1.5
161.04552	17.6
161.05893	0.8
163.03967	1.8
163.07721	0.7
164.04797	0.7
173.04565	1.1
173.06041	1.1
175.03999	0.7
175.07600	0.8
185.05878	0.6
187.03987	0.8
187.07608	0.5
188.04713	2.7
189.05554	1.4
189.09213	1.2
191.05624	1.0
193.05046	1.2
199.07664	0.7
201.05524	0.9
202.06274	0.6
203.07108	0.9
213.12477	0.5
214.06326	0.7
215.10707	1.1
217.08659	4.2
229.05080	0.8
232.07443	0.7
233.06569	2.5
243.10364	1.1
245.08209	0.6
249.13405	94.9
250.13785	6.6
261.11255	3.6
293.08752	0.8
305.06699	0.6
305.10162	0.7
349.09256	2.2
350.09216	0.6
381.17599	100.0
382.12692	0.9
382.17972	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	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93903	0.6
55.27208	0.5
59.01371	1.6
61.98831	1.4
69.77906	0.6
71.17773	1.3
73.67112	0.7
74.71587	0.6
78.95890	0.8
86.48348	0.7
92.42155	0.6
131.71527	0.7
137.06076	0.8
138.06845	1.0
151.07651	1.3
152.99564	1.5
170.05841	2.8
178.04390	0.6
186.18956	0.8
192.11589	1.1
199.13361	1.4
200.73970	0.7
217.79636	0.6
233.19119	1.4
235.20695	1.9
241.21989	0.7
251.20111	2.9
277.18069	78.3
278.18372	8.0
279.19653	23.1
280.19891	2.3
284.03128	0.8
295.19119	100.0
296.19455	10.3
306.18311	0.7
345.24228	0.8
363.25406	17.2
364.25714	2.8
381.26385	7.3
382.26840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18169	0.6
59.01371	1.3
60.12391	0.7
61.98821	2.3
71.08233	1.1
71.08577	1.6
74.24796	0.7
78.95886	1.2
81.71748	0.7
105.00866	0.8
105.39241	0.8
113.94762	0.7
153.12857	3.9
163.11392	1.7
165.12817	3.6
170.05815	2.4
179.10759	11.7
180.11021	1.4
181.12332	34.5
182.12711	1.7
195.10281	2.4
197.11780	3.8
199.13383	100.0
200.13701	6.3
215.12869	2.3
246.00931	0.7
284.03265	1.5
299.05600	1.3
363.25342	6.6
364.25650	0.8
381.11487	0.9
381.26691	5.0
381.62500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
60.01715	0.8
61.01779	0.9
61.98829	100.0
69.41122	5.9
92.21693	0.8
106.39998	0.7
127.40780	0.8
129.50497	0.8
214.86192	0.8
234.18053	0.9
246.93463	0.8
255.18726	0.9
255.57086	0.9
275.62482	1.1
331.62012	0.8
344.25354	0.9
374.23315	0.8
382.10114	1.3
383.11285	1.6
383.15414	1.3
383.24362	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44088	0.5
59.01377	100.0
59.98760	0.5
60.01730	1.0
61.98829	1.2
74.50677	0.6
77.89314	0.5
90.59690	0.6
92.10116	0.6
93.45819	0.6
96.34933	0.6
174.43542	0.6
195.72115	0.5
236.58745	0.6
322.27457	0.6
383.28555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50524	1.8
59.01370	8.1
61.45331	2.0
61.98819	7.9
69.03445	3.4
69.42679	1.8
69.43056	14.7
70.42170	1.9
74.22617	2.5
83.05006	2.5
87.00877	38.2
90.89607	2.0
93.03465	3.5
99.00861	2.9
109.02917	4.0
125.19398	1.9
127.20255	2.0
129.01952	4.2
129.07066	2.7
130.99838	8.4
131.04999	2.8
137.02397	4.0
142.75676	1.9
143.04951	2.2
145.02988	4.4
145.06529	3.4
146.03722	3.2
147.04521	8.3
148.05284	5.1
149.02376	3.1
149.06071	33.0
150.06552	2.3
155.04979	3.3
157.32715	2.2
158.03612	3.1
159.04510	39.4
160.05103	3.7
161.02454	25.3
161.06007	2.5
162.03154	2.6
163.04018	5.8
163.07712	2.2
167.04965	3.5
172.05296	6.7
173.04527	6.5
173.06038	17.5
174.03195	7.9
174.06854	3.7
175.03979	35.1
176.04709	4.7
177.01945	4.2
177.05463	7.3
182.03720	4.4
183.04466	21.5
184.05235	2.7
185.05995	13.5
186.03229	2.3
186.06796	6.5
187.03941	17.4
187.07678	4.2
188.04448	3.9
189.01913	2.6
189.05513	3.1
189.09070	3.3
190.02669	3.4
193.05028	7.5
196.05371	5.2
199.04018	11.5
199.07635	6.1
200.04791	18.5
200.08398	3.0
201.05551	35.3
202.06216	5.4
203.03481	28.2
203.07141	3.6
204.04256	54.3
205.04710	2.3
207.06590	9.6
208.03757	2.7
211.03992	93.7
212.04628	15.9
213.01944	5.7
213.05534	21.7
214.02786	4.5
214.06297	6.8
215.03369	3.6
215.07047	2.7
215.10736	8.5
217.05028	2.6
217.08656	4.4
225.09213	7.7
227.03464	33.4
228.04254	21.2
229.05014	29.0
230.05539	3.1
233.08147	5.9
243.06606	34.4
243.10248	25.0
244.07092	3.7
246.05270	6.1
248.02991	2.3
255.02925	12.6
259.06137	5.6
260.06802	2.2
261.07645	20.3
261.11194	2.7
275.09235	100.0
276.09586	7.2
287.05542	8.5
287.09061	5.4
293.10330	26.1
305.06696	45.1
305.10141	3.9
319.08176	14.8
337.09259	48.9
337.13242	3.4
338.09616	5.3
355.54227	2.5
381.11838	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16645	0.5
50.51701	0.6
50.60933	0.6
53.62078	0.5
55.01876	6.0
57.03456	4.2
59.01376	35.6
60.01712	0.6
61.33427	0.5
67.01884	1.1
69.03451	1.4
69.39726	2.1
69.40131	1.7
71.01378	43.6
72.99309	2.0
73.02942	25.8
74.31740	0.5
75.00871	1.2
79.97733	0.5
81.03465	1.0
83.01386	12.0
85.02946	25.5
86.00105	1.9
86.03286	0.9
87.00874	10.8
87.08160	0.7
89.02435	11.3
93.03455	0.8
95.01376	3.9
97.02950	2.4
97.06606	1.0
98.19855	1.0
99.00881	9.8
99.04550	0.5
101.02437	53.3
102.02769	1.3
109.02901	0.6
111.00892	2.7
111.60845	0.5
113.02447	20.9
114.02784	0.7
115.04000	1.8
119.03510	1.0
121.02928	0.6
125.02435	2.9
129.01878	1.8
131.03490	3.9
143.03485	2.1
146.03783	0.6
147.04538	0.8
148.05206	0.6
149.02414	0.8
149.04558	1.9
149.06052	3.6
156.65198	0.6
159.03001	3.5
159.04466	1.7
161.04552	15.9
163.03960	1.4
164.04703	0.7
171.08099	0.6
173.04550	1.9
173.06055	1.0
174.03172	0.7
175.04054	0.6
175.07620	0.8
186.06807	0.5
188.04773	2.0
189.05533	1.7
189.09192	1.0
191.05554	1.1
193.05058	1.2
199.07722	0.8
202.06366	0.9
203.07104	0.8
205.03433	0.8
208.03796	0.6
214.06287	0.6
215.10759	0.6
217.08711	5.4
232.07385	0.9
233.06656	2.6
243.06419	0.6
243.10199	1.6
245.08275	0.7
249.13402	87.1
250.13710	6.7
261.11298	3.2
293.13669	0.6
295.08063	0.7
305.10217	0.7
340.52985	0.6
349.09464	3.2
381.12219	6.4
381.17596	100.0
382.12894	1.1
382.17975	11.1
401.31973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94068	1.1
57.03440	2.1
59.01377	25.7
61.98828	6.8
69.03436	1.0
69.18363	9.4
71.01389	3.4
71.49953	1.0
83.04994	1.0
85.02944	3.4
87.00874	100.0
88.01225	1.7
89.79830	1.0
93.03440	2.7
99.00912	1.1
101.02489	1.9
108.92699	1.0
109.03001	1.6
112.98789	1.5
121.02953	1.8
122.03739	1.5
123.04544	2.4
130.99883	8.5
131.99197	1.0
135.04543	2.2
137.02434	1.9
145.02953	3.1
146.03722	3.8
147.04495	4.7
148.05270	1.6
149.06096	14.1
159.04503	10.7
160.05254	1.5
161.02426	3.6
161.06053	1.7
162.03200	2.1
163.04013	6.2
163.07683	1.1
164.04791	4.3
165.05548	5.0
172.05299	2.4
173.04579	1.9
173.06055	8.1
174.03224	5.1
174.04561	1.0
174.06804	1.6
175.04007	3.5
175.07597	4.3
176.04800	1.4
177.05524	2.4
185.06104	5.0
186.06789	3.5
187.03978	3.1
187.07651	4.1
188.04793	24.1
189.05516	5.4
189.09251	6.3
190.02646	1.3
190.06360	5.3
191.07135	2.6
191.10794	2.1
193.05103	5.3
199.03946	1.4
199.07642	8.4
201.05507	7.1
201.09232	1.8
202.06325	3.7
203.07088	4.3
204.04202	2.6
204.07756	1.4
205.08644	2.3
207.02985	1.4
214.06310	4.6
215.06944	2.5
215.10780	3.0
216.07767	1.4
217.08684	31.8
218.09073	2.9
219.06555	1.6
225.09175	5.5
227.07112	2.0
231.06546	2.7
231.10204	2.1
233.08141	8.7
234.08913	1.1
235.09656	1.9
243.06593	2.1
243.10262	13.9
244.10521	2.0
245.08188	4.7
249.07654	2.0
249.11310	1.5
254.04292	2.1
259.09821	5.1
261.07651	3.9
261.11246	3.4
269.08203	1.4
271.06064	3.0
275.12762	2.2
277.10858	3.7
287.09213	4.8
293.08459	1.2
305.10092	1.9
319.11823	4.6
321.09720	1.8
322.13248	1.8
349.09256	74.8
350.09476	7.2
381.07660	1.6
381.11948	18.4
382.12192	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	379.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	1.4
69.74726	1.7
71.01381	0.6
75.62141	0.3
80.96513	1.1
85.02940	0.5
85.65833	0.3
99.71548	0.3
101.02441	1.4
102.26749	0.3
104.90637	0.3
105.65216	0.3
125.97909	0.3
135.82051	0.3
311.48825	0.3
319.21304	2.5
343.25024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67421	0.9
59.01377	100.0
60.01717	1.0
61.98830	2.2
63.48546	0.9
73.25562	0.9
81.48906	1.0
84.77228	1.3
84.99200	1.3
299.05530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44632	4.5
55.59680	4.9
59.01367	21.9
61.98832	51.3
69.45675	33.1
71.01373	9.8
72.99262	5.9
80.32821	5.3
82.21185	5.0
85.02953	8.4
87.00876	100.0
93.03453	14.6
98.20723	7.6
101.02393	5.3
103.04773	4.0
108.02155	5.9
109.02934	11.4
112.98804	10.9
117.03416	5.2
118.45086	4.7
121.02902	4.4
123.04490	13.9
129.01921	16.0
130.99838	18.5
131.05061	6.1
134.03743	7.0
135.04535	9.1
137.02431	10.7
145.02939	7.1
146.03737	11.1
147.04524	28.9
148.05287	6.9
149.02455	6.1
149.06070	42.8
157.06583	7.0
158.03673	7.9
159.04501	55.2
161.02426	19.8
162.03288	4.5
163.04010	16.6
164.04765	16.6
165.05606	7.1
172.05261	7.5
173.04514	14.6
173.06091	22.4
174.03172	17.8
174.06645	5.6
175.03993	79.0
177.01935	7.8
177.05473	5.8
183.04495	20.2
184.04889	5.5
185.06073	14.2
186.06796	4.7
187.04012	19.0
187.07620	10.2
188.04688	8.7
189.09203	8.1
191.03497	16.5
193.05022	10.9
199.03923	19.7
199.07707	6.9
200.04709	15.4
201.05563	37.9
202.06226	5.3
203.03528	39.0
203.07094	8.1
204.04247	53.7
207.02902	7.8
207.06631	14.7
208.03716	6.4
211.03993	95.3
212.04521	15.7
213.01709	5.0
213.05513	21.6
214.02644	5.3
214.06253	8.1
215.03624	4.8
215.10796	9.2
217.05055	9.2
217.08588	13.5
219.02917	12.5
225.09239	5.0
227.03465	52.2
228.04259	23.3
229.05028	31.6
233.08141	13.5
235.06155	6.8
243.06625	33.0
243.10187	30.7
245.04466	11.5
246.05206	8.3
249.07741	5.6
254.04198	7.4
255.02934	12.7
259.06009	18.7
261.07675	30.0
275.09253	94.3
276.09576	7.5
277.07114	22.7
287.05530	16.3
293.10400	32.4
305.06732	37.1
309.09747	9.9
319.08160	19.7
320.08820	5.8
337.09387	38.1
337.12900	7.7
338.09473	7.0
349.05365	7.9
349.09286	7.0
381.07892	42.1
381.12494	33.1
382.12637	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.7
61.98828	12.7
64.96417	1.2
69.03438	1.8
69.64527	5.5
69.64934	3.2
71.01373	3.3
74.76376	1.2
85.02921	1.6
87.00871	75.9
93.03458	2.0
98.50269	1.3
113.09792	1.5
130.99835	10.6
132.06854	1.4
135.04495	2.8
136.05324	2.3
146.03632	2.8
147.04457	2.0
148.05228	2.7
149.06062	5.2
154.21648	1.3
159.04504	3.8
160.05295	2.2
161.05972	1.6
161.09666	1.8
162.03064	1.5
162.06715	1.5
163.03972	5.3
164.04834	3.1
171.08180	3.4
173.04590	3.2
173.06010	3.1
174.03230	2.9
174.06842	1.7
175.04018	2.3
175.07620	6.2
176.04773	4.8
177.05539	4.7
179.64977	1.6
185.06068	1.6
186.06833	1.9
187.07617	2.0
188.04794	3.7
189.05449	2.0
189.09209	24.4
190.09448	3.0
191.06996	3.1
191.10812	2.2
196.05391	1.6
199.07683	9.1
202.06395	3.2
203.07019	4.2
205.08665	8.3
206.09361	4.0
207.02910	1.9
208.03699	2.2
214.06444	2.6
215.10695	11.9
216.07800	1.8
217.08675	19.8
217.12109	1.6
219.06523	3.4
220.58099	1.3
221.11833	14.6
225.09007	2.2
231.10211	3.8
234.08942	3.5
243.10277	11.5
245.08127	1.9
247.13246	1.4
249.11304	21.5
250.11671	2.0
254.04265	4.0
259.09750	3.4
260.18793	1.3
261.11307	3.5
263.12805	2.4
275.12881	4.6
287.09052	3.1
289.07208	2.1
291.12332	6.1
305.10373	1.8
319.08356	2.8
319.11658	8.8
321.09827	6.9
349.09366	12.5
381.11874	100.0
382.12164	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03445	2.2
58.00583	0.7
59.01378	29.2
61.98811	0.5
66.78991	0.4
68.99860	0.5
69.03453	1.1
70.83115	1.1
71.01379	63.6
72.01743	1.0
72.99300	1.8
73.02943	25.3
75.00880	1.2
83.01379	6.3
85.02947	24.8
86.03302	0.7
86.31335	0.5
87.00882	3.2
89.02441	21.0
95.01392	4.9
96.94557	0.5
97.02952	2.4
99.00880	12.1
101.02439	39.8
102.02794	1.1
108.70341	0.4
111.00868	0.6
113.02449	24.7
114.02817	0.7
115.04015	0.8
119.03469	2.9
125.02446	3.7
129.01918	1.3
131.03503	3.8
141.90485	0.4
143.03499	3.7
149.04572	3.3
159.02965	5.0
161.04544	30.5
162.04807	1.2
191.05690	1.1
205.03636	0.5
233.06670	2.0
247.11850	48.0
248.12231	3.4
379.16064	100.0
380.16425	9.1
399.66904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1606
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01863	2.2
57.03453	1.1
58.00590	3.8
59.01375	95.3
59.34333	0.7
69.03442	1.1
69.18734	1.6
69.19137	5.8
71.01377	63.5
72.01699	0.9
72.99303	3.9
73.02942	15.4
75.00861	1.0
83.01387	4.1
85.02943	11.6
87.00862	3.6
87.38146	0.7
89.02438	100.0
89.07198	0.7
90.02779	1.6
95.01367	2.6
97.02940	1.4
98.19891	2.0
99.00867	18.1
101.02431	40.6
102.02790	1.0
108.04225	0.7
113.02446	19.2
113.47609	0.8
114.02795	1.0
115.03967	0.9
119.02668	1.4
119.03493	21.4
125.02419	3.6
131.03497	20.3
143.03487	5.7
149.04543	45.4
150.04875	2.0
161.04570	4.8
161.05766	0.7
179.05588	9.5
191.05600	13.0
221.06635	1.3
247.11827	5.1
251.07690	2.4
379.16043	39.6
380.16400	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	379.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40069	0.6
59.01380	6.5
61.98803	0.8
65.89928	0.6
69.27464	4.6
69.27867	1.7
71.01369	1.8
75.15199	0.6
83.01380	0.9
85.02935	1.0
87.00874	100.0
88.01229	1.7
88.04026	1.0
93.03463	0.8
101.02444	1.2
115.00332	0.9
121.02958	4.6
122.03748	1.5
123.00855	1.0
123.04527	1.5
125.02468	1.4
130.99863	73.2
132.00177	2.0
132.03035	3.2
133.03418	1.3
147.04526	1.9
148.05206	0.8
149.06166	1.0
161.04546	0.8
163.03938	1.3
165.05557	2.0
173.05963	0.8
187.07729	1.0
201.05537	0.9
210.05988	0.8
215.07121	1.1
231.10248	1.2
253.03519	6.4
254.04309	79.8
255.04683	6.4
259.09692	0.9
282.05698	0.8
309.06189	1.5
319.17538	5.5
320.17264	1.0
379.06635	18.1
379.11111	2.0
380.07349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
60.99305	14.6
61.98831	2.8
71.02341	1.4
71.02675	1.4
82.82373	0.8
87.00872	1.4
88.98804	100.0
89.99106	1.0
96.95988	1.8
120.21719	1.0
121.02969	1.4
128.07156	0.9
130.32825	1.0
137.00717	0.9
150.79518	1.0
157.76411	0.9
160.01660	4.1
175.03964	3.8
195.09520	1.2
292.26694	0.9
304.95981	1.0
343.72101	0.9
356.64572	1.0
379.10492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98829	100.0
66.41716	0.3
68.38940	0.4
71.20915	1.0
72.01360	0.4
73.80808	0.3
96.96030	1.3
99.71087	0.4
109.76521	0.3
286.77332	0.4
378.18991	5.7
385.48715	0.4
389.59610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01376	4.5
61.98812	1.3
68.99818	5.5
69.03438	1.5
70.23215	0.8
70.91006	1.8
71.01367	1.1
74.42442	0.7
81.03476	1.6
83.01373	3.8
85.02945	4.4
87.00872	100.0
88.01231	1.4
88.04057	1.1
91.05527	0.7
93.03445	4.2
93.96035	0.7
95.01372	1.9
95.05037	1.6
97.02958	1.9
99.00879	1.6
103.05556	0.7
108.02171	5.6
109.02986	0.9
111.00896	1.0
115.00340	0.9
115.92081	1.8
116.92854	0.8
119.05006	0.8
121.02950	37.1
122.03764	1.5
123.00887	6.2
123.04527	14.6
124.01650	3.2
125.02436	6.5
128.35756	0.7
130.99854	13.6
131.04980	1.2
132.03030	1.9
133.06586	1.8
134.03673	1.4
135.04510	1.9
137.02466	0.9
137.06058	3.3
141.01976	0.9
145.02994	1.0
146.03712	1.1
147.00891	1.5
147.04521	10.3
148.01717	0.9
149.02390	2.0
149.06071	6.0
152.99620	1.3
159.04524	3.1
160.05283	1.0
161.02461	1.1
162.03209	1.6
163.04007	4.3
165.04175	1.2
165.05551	22.8
166.05850	1.6
173.06073	7.9
174.03174	3.9
174.06845	1.5
175.03944	2.0
175.07613	1.0
177.05531	3.7
178.25285	0.6
187.03999	2.6
187.07658	3.2
188.04759	2.2
189.05536	1.1
189.09244	1.4
191.03543	1.4
193.05049	3.3
200.04803	1.2
201.05556	6.2
202.02736	1.3
202.06262	4.0
203.07066	1.3
205.05038	3.2
213.05330	0.6
213.09131	0.8
215.07124	7.0
216.07874	9.8
217.01373	2.1
217.08650	11.4
218.09036	1.3
219.06586	1.6
226.06331	0.8
229.05052	1.4
230.05745	4.0
231.06523	0.9
231.10374	1.2
241.08670	2.5
247.06209	1.1
253.03516	27.9
254.04175	6.3
259.09698	6.9
283.11826	0.9
289.07007	1.5
303.08768	1.1
309.06226	0.9
319.04535	4.6
347.07697	23.9
348.08011	4.0
379.06665	74.8
380.07007	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	377.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82246	1.7
50.91163	1.5
59.01379	19.0
61.98829	8.6
71.23463	2.4
71.23793	2.7
79.21609	1.7
96.96010	4.2
110.25356	1.6
129.02335	1.8
171.10269	31.1
238.20711	1.9
277.21698	34.3
278.21909	5.5
281.17493	1.9
295.22766	100.0
296.23083	8.1
317.20926	30.5
318.21231	3.5
361.19788	5.0
377.23053	26.5
378.23419	4.2
387.33014	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	378.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42286	0.4
54.32585	0.4
61.98826	100.0
70.09232	1.6
87.97851	0.4
88.04054	1.5
89.27464	0.4
89.47081	0.4
95.73402	0.4
115.00349	0.6
132.03018	6.6
281.05444	2.0
340.60580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13831	0.9
55.93307	1.0
61.98825	100.0
79.23245	1.3
94.00046	1.2
108.99207	1.0
112.62564	1.2
112.83539	1.1
124.54411	1.1
148.01682	1.6
152.44705	1.1
175.07671	2.4
243.02905	5.8
254.02187	1.2
255.02954	14.0
256.03235	1.9
271.02441	34.4
272.02914	3.8
300.02710	77.3
301.03024	6.6
315.05072	84.7
316.05386	7.5
342.16769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.7
69.03451	2.6
70.02909	1.0
71.01376	9.0
71.53757	1.7
85.02940	2.9
87.00876	7.2
87.82870	0.9
88.04037	42.7
89.04396	1.1
93.03443	1.3
97.06590	3.0
99.00901	1.2
112.57150	1.0
114.01962	4.1
115.00376	18.0
121.02953	1.7
123.04552	4.8
130.05109	1.2
130.99867	1.9
132.03024	100.0
133.03300	2.0
134.03612	2.8
140.07185	4.2
146.03734	2.4
147.04518	3.1
149.02359	1.2
149.06033	4.7
159.04477	1.6
161.04655	1.1
161.06047	1.8
162.03195	1.1
164.04823	1.5
165.05630	1.1
173.04573	2.2
173.06071	2.9
174.03073	1.0
175.03970	2.1
175.07625	6.4
176.04591	4.4
187.04074	2.3
187.07649	1.9
188.04787	1.7
189.05579	2.1
190.06380	3.5
190.89117	1.0
191.05551	1.3
191.07144	1.1
193.05069	4.5
201.05605	2.7
201.09193	2.4
202.06363	13.2
203.07016	1.9
204.07875	1.6
217.08694	3.3
218.08315	1.0
219.10229	14.9
227.07156	1.5
244.09897	1.3
245.08197	4.4
246.11237	2.1
255.05103	4.0
260.36237	0.9
262.10849	12.8
275.11447	2.3
281.05185	1.2
295.01404	1.1
303.08612	1.0
316.11859	3.3
316.76434	1.1
319.10471	4.8
334.13208	0.9
360.10681	5.8
378.11945	41.6
378.17032	1.3
379.12106	6.4
379.19720	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	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20423	0.9
61.98820	2.8
74.99057	2.3
84.26399	1.0
98.51397	1.1
107.67253	1.0
116.54960	1.0
117.41148	1.1
159.08479	8.9
161.06303	2.8
209.01231	3.3
217.07108	1.3
263.46097	0.9
264.56842	1.1
265.00546	1.1
277.07532	1.6
289.07559	2.0
291.09082	95.6
292.09229	13.1
357.13632	1.4
359.15314	100.0
360.15515	16.4
375.18411	9.7
377.16895	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	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96735	0.4
61.98836	0.6
65.19364	0.3
69.55146	2.3
74.99067	2.7
80.61345	0.4
86.36275	0.3
88.11430	0.3
91.56465	0.3
93.00135	0.8
113.88912	0.3
129.38651	0.4
139.06111	0.4
143.05347	0.5
149.00894	0.6
159.08464	11.4
161.06401	3.0
192.98137	0.8
209.01289	2.3
217.07199	1.3
252.70357	0.4
275.05936	1.2
277.07535	3.4
289.07578	1.6
291.09082	99.5
292.09192	13.4
309.10101	1.0
338.92615	0.4
343.12363	0.6
357.13800	1.8
358.14349	0.4
359.15317	100.0
360.15491	19.5
360.20145	0.5
375.18472	9.6
376.18610	2.0
377.16455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54832	1.6
59.01374	40.7
61.98809	3.1
71.08905	3.0
71.09258	2.5
71.11044	2.0
72.32903	1.8
84.48925	1.9
95.05011	3.8
98.20583	1.7
99.92575	2.2
102.61742	2.0
108.96705	2.1
109.06599	1.9
111.11939	2.3
121.10238	31.6
122.10606	2.1
128.32426	1.6
128.44572	1.6
141.78329	1.8
171.10254	59.2
172.10603	3.7
185.11807	3.2
207.09949	1.8
226.30659	1.9
231.21179	3.3
275.20148	100.0
276.20358	9.4
278.11423	12.1
293.21231	94.7
294.21619	11.0
315.19382	49.1
316.19760	3.5
359.18533	9.4
375.21445	43.1
376.21442	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.4
57.03456	1.4
59.01364	1.3
61.98832	0.7
67.60635	0.5
70.44547	1.3
71.01373	2.4
73.02928	0.7
74.59602	0.7
75.00871	11.7
85.02966	1.9
87.00880	1.1
89.02441	1.6
101.02449	1.7
111.08179	1.1
129.01926	4.1
147.03004	6.6
165.04033	19.6
165.12833	28.6
166.04326	0.7
166.13191	2.0
183.13898	100.0
184.14233	7.3
209.11816	2.2
213.14946	1.4
227.12877	91.7
228.13170	6.7
357.15924	0.8
375.16589	40.2
375.27161	2.6
376.17059	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56611	0.5
57.03442	2.1
59.01382	3.7
64.12181	0.5
66.31556	0.5
69.03489	0.6
71.01381	1.9
71.05013	3.1
71.22292	0.8
72.02171	0.7
80.58849	0.6
81.03472	0.6
83.05024	1.3
85.02951	1.5
87.00872	0.6
87.04513	100.0
88.04845	1.9
89.02439	1.2
93.03453	4.1
99.04546	0.6
102.90298	0.6
105.52173	0.5
107.05086	0.6
111.04526	5.2
123.86768	0.7
137.02464	1.1
139.11285	15.7
140.11636	1.3
155.03477	6.0
157.12338	2.4
171.18814	0.6
173.04547	14.0
183.10181	1.3
191.05560	5.2
201.11314	49.5
202.11595	3.1
207.45657	0.6
212.03249	0.7
339.07123	1.0
368.68097	0.6
375.16580	62.3
376.16968	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	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	4.4
59.01376	100.0
61.98830	6.8
62.92854	2.3
66.39094	2.0
71.01378	67.6
71.21821	4.4
72.99317	4.1
83.01377	3.7
85.02934	12.4
87.00889	9.0
89.02441	93.3
95.01371	4.6
96.96052	3.2
101.02426	29.0
113.02448	28.7
117.03450	11.6
119.03495	35.5
119.04960	3.6
121.02949	2.7
133.02953	3.5
134.03751	3.8
135.04512	2.2
143.03494	4.6
145.01872	4.5
145.02948	46.4
146.03743	13.5
147.04526	14.0
149.04495	2.5
153.01883	3.9
161.02440	44.6
161.04539	6.0
162.03207	51.6
163.03862	2.4
165.05554	5.1
177.05577	24.6
178.05821	3.6
179.05614	17.3
180.04295	9.4
180.99976	2.4
195.06595	23.3
201.11177	2.3
236.27863	2.4
280.18188	2.4
314.60925	2.5
316.42560	2.5
353.53586	2.3
357.11801	14.3
375.16428	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Demethoxydeacetoxy-pseudolaric acid B
Peak:m/z	Relative Intensity
57.03446	15.8
59.01381	22.1
59.15428	2.3
61.98854	3.1
69.03448	4.9
70.50974	3.9
70.51312	3.3
80.81989	1.9
85.02946	3.2
87.00882	3.6
93.03443	5.3
101.02438	17.0
109.02958	4.1
119.04968	2.2
121.02951	5.8
129.03485	2.9
130.04251	2.0
135.04533	5.6
137.02448	11.7
139.03973	3.4
139.11279	4.0
144.05843	2.3
145.06596	2.8
146.03723	7.2
147.04515	63.5
148.05305	11.7
149.06094	2.1
155.05013	3.4
158.03648	2.5
159.04504	26.0
159.80498	2.0
160.05211	5.9
161.06036	16.6
163.03992	7.3
164.04765	3.1
172.05293	48.6
173.04651	3.7
173.06061	93.0
174.03258	10.0
174.06471	7.1
175.03943	6.2
176.04695	10.3
183.04517	5.7
185.06073	7.0
186.06866	11.8
187.04018	12.2
187.07634	16.5
188.04709	2.8
189.05537	32.8
190.05901	2.1
191.03511	3.0
192.04250	11.2
193.05077	2.0
196.05193	3.6
197.06053	32.6
198.06764	13.3
199.07599	4.3
200.04730	10.5
200.08307	2.5
201.05559	33.5
201.09038	4.6
202.06155	2.2
204.04265	7.1
205.12291	4.8
211.07616	8.9
212.08365	4.4
213.05522	3.5
215.07121	11.2
216.07928	20.8
216.11404	2.9
217.05109	4.8
217.12202	2.6
218.05809	2.6
225.08969	2.7
226.09848	3.2
227.10735	2.7
228.11363	4.3
229.12263	31.9
230.12752	5.0
231.13899	9.8
232.03668	3.9
243.13867	78.4
244.14252	9.2
245.11801	4.2
246.12605	31.9
254.13008	2.6
257.11786	33.5
258.12485	6.9
259.17029	4.3
260.06894	4.5
267.13864	11.4
268.14111	3.3
269.15466	85.2
270.15817	6.3
271.13397	10.0
285.15005	6.6
287.16498	100.0
288.16785	9.6
313.14453	17.9
329.17511	4.5
331.15472	81.7
332.15887	9.7
375.07220	2.7
375.14301	52.8
375.18182	7.7
375.27393	12.0
376.14746	7.1
384.46094	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03435	1.5
59.01380	12.2
60.99293	0.9
61.98847	0.6
65.89222	0.3
67.01894	4.6
69.03445	1.1
69.66397	2.0
71.01378	4.9
71.05016	0.6
72.78529	0.4
72.99304	0.5
73.02943	1.4
75.00900	0.4
81.03460	1.0
83.01395	0.6
83.05024	1.2
85.02964	1.5
86.03268	0.3
87.00877	1.1
87.04513	13.0
89.02453	1.1
93.03457	27.3
94.03785	1.1
99.00869	0.7
101.02438	1.3
109.02958	1.0
111.00900	1.0
111.04522	5.5
113.02467	1.3
127.04018	0.6
137.02431	4.8
137.06082	0.6
139.11316	1.8
149.06050	0.5
155.03514	4.8
157.12415	0.6
165.04031	0.4
173.04541	100.0
174.04871	4.7
183.10249	0.7
191.05542	2.2
200.77081	0.4
201.07613	0.4
201.11327	6.6
202.11697	0.6
226.66579	0.3
227.09203	0.4
227.12973	1.6
351.33676	0.4
356.78448	0.4
375.12613	0.8
375.16595	21.8
376.16895	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98760	0.9
57.02253	1.0
57.43346	0.9
59.01370	5.8
61.98828	100.0
71.53830	1.4
77.31109	1.1
77.78762	1.1
81.78693	1.0
96.96008	1.0
134.70486	0.9
145.94569	1.0
155.16298	1.0
155.80322	1.1
183.26518	0.9
216.77534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45825	1.1
59.01370	4.7
61.98827	100.0
65.72531	1.3
68.39258	1.1
69.19749	5.2
69.20181	6.6
76.44801	1.0
173.33162	1.0
204.27371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	6.0
59.01379	100.0
61.98832	22.6
62.15445	1.6
65.00299	1.3
66.30427	1.4
71.01382	66.3
71.06152	3.2
72.99313	4.2
73.02942	2.3
83.01382	3.5
85.02953	12.3
87.00896	9.6
87.04494	5.7
89.02445	92.9
95.01399	4.6
101.02439	39.3
104.34357	1.4
108.02175	5.1
113.02452	24.9
117.03466	10.6
119.03496	40.6
119.05006	4.2
121.02976	4.1
122.03725	2.7
123.04495	3.7
129.31319	1.6
131.03506	4.7
133.02927	4.1
134.03752	2.2
135.04527	3.0
143.03481	7.2
144.04834	1.7
145.02954	57.6
146.03740	14.2
147.04520	15.1
149.04477	2.0
150.03186	3.6
161.02440	61.5
161.04558	4.6
162.03223	71.1
163.03671	4.9
177.05568	39.6
178.05844	3.8
179.05640	15.2
180.04282	14.0
189.01947	1.6
195.06610	23.3
201.11295	3.1
224.60866	1.5
260.47113	1.4
357.11990	11.4
375.16943	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	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.7
61.98832	9.3
71.35342	1.0
71.53963	1.4
72.18305	1.1
93.03470	3.3
106.29038	1.2
108.02181	1.3
150.10545	1.6
163.55588	1.3
165.12840	23.0
166.13260	1.1
244.10843	5.3
247.20689	11.4
273.18552	5.2
291.19641	100.0
292.19989	10.7
313.17767	13.3
314.18512	1.6
373.19937	16.8
374.20074	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	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37832	1.8
59.01373	24.0
61.98822	12.6
71.17689	3.5
80.27161	2.0
80.63976	1.8
97.06577	2.9
108.02163	2.3
121.10236	15.8
125.09735	5.3
185.11803	8.6
197.11726	4.0
207.09940	4.5
245.19078	10.0
259.30209	2.1
291.19653	66.3
292.19946	7.6
306.97775	2.2
313.17825	100.0
314.18176	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	373.2591
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03452	2.2
59.01372	2.5
61.98810	0.4
64.25547	0.3
69.03437	0.3
69.28596	1.1
69.29025	2.1
73.02914	0.8
75.00898	0.4
85.02978	0.5
87.00871	0.4
90.93605	0.4
97.06561	0.6
111.08144	0.6
113.81184	0.3
123.08157	1.0
125.09691	3.2
127.11270	1.9
137.09727	2.1
141.09213	0.5
143.10751	0.6
147.04478	0.9
149.06041	0.6
153.09215	0.5
153.12833	0.4
155.10760	2.0
166.58818	0.3
171.10243	8.8
187.03946	0.4
188.08455	0.4
191.03441	0.6
193.04984	0.6
194.56239	0.4
201.14928	0.4
215.07211	0.4
229.14394	0.7
230.15213	1.1
243.15797	0.4
267.13861	0.4
300.84659	0.3
312.60233	0.3
329.13892	0.6
343.24936	0.4
355.25146	1.8
371.24347	1.1
373.25900	100.0
374.26236	13.6
374.29941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2743
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
61.98815	5.5
64.83819	1.1
79.79283	1.2
80.02699	1.8
87.88083	1.0
96.53746	1.3
98.20664	3.2
107.81074	1.1
119.05000	2.1
121.06559	2.7
135.08110	2.2
163.11246	1.2
173.09726	1.4
185.48898	1.1
221.47495	1.2
229.23650	1.5
261.22253	8.6
263.88385	1.1
280.24625	1.2
313.25397	2.8
329.28455	100.0
330.28723	14.4
373.27432	84.2
374.27823	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	373.1501
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
50.66717	0.7
55.01883	1.2
57.03443	2.0
58.00591	7.0
59.01377	16.5
61.98840	1.5
67.01884	1.3
69.03452	1.6
71.01382	17.2
71.54001	0.7
72.99302	0.9
73.02946	3.6
75.00868	1.1
76.02142	0.6
81.03451	1.9
82.42897	0.7
83.01418	1.1
83.05031	5.6
85.02951	7.9
87.00878	3.8
89.02441	1.6
93.03456	8.0
95.05051	0.9
97.02951	1.7
98.03709	1.3
99.00880	1.2
101.02445	6.4
108.02187	0.8
109.02916	0.9
109.06579	1.0
111.04529	4.8
113.02437	4.6
120.08176	0.9
122.06105	0.8
124.07656	1.0
125.06010	0.8
128.13335	0.8
129.02005	1.3
132.04518	1.1
134.07396	0.9
135.04503	0.9
136.30190	0.7
137.02448	0.9
137.09721	13.6
138.10045	1.2
139.07651	4.0
139.11282	4.9
146.06117	3.6
147.03091	0.8
147.04497	1.1
148.07680	3.3
149.09711	4.6
150.05658	0.7
152.07175	1.0
153.01929	3.5
153.09167	0.7
155.03461	5.5
155.10780	30.4
156.11107	2.1
161.04553	6.8
163.04013	1.0
166.05048	0.7
167.05891	1.8
167.10770	24.2
168.04300	1.6
168.11070	1.7
173.04543	20.1
174.04906	0.8
181.08698	5.8
191.05606	5.0
193.08665	1.0
195.86711	0.7
199.09749	100.0
200.10117	6.2
204.06548	4.2
211.07724	1.2
211.09747	25.3
212.10161	1.4
215.03482	0.8
225.11282	1.0
237.06375	2.2
241.04950	1.4
242.08308	0.8
244.19687	0.8
253.08711	2.3
255.11446	1.5
267.10480	0.9
271.09860	0.8
271.14551	3.7
329.15048	8.1
330.15359	0.9
355.13086	1.7
373.14438	63.8
374.14807	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	373.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99961	0.8
55.01878	3.1
57.03439	8.2
58.00581	1.6
59.01378	52.7
61.98831	4.5
69.03440	2.5
69.34813	4.6
69.35237	2.8
71.01379	55.3
71.17068	0.9
72.01733	1.2
72.99300	3.5
73.02940	11.6
81.03442	1.7
83.01386	5.3
85.02943	20.2
87.00881	6.9
89.02441	35.2
93.03443	1.5
95.01393	3.6
95.05035	1.2
97.06620	1.1
99.00892	4.6
101.02441	43.9
102.02789	1.2
102.85541	0.9
109.02954	3.6
109.82055	1.0
111.15673	0.9
113.02454	22.5
119.03488	20.9
121.02960	1.9
125.02400	2.6
125.09738	1.4
129.02007	1.2
129.03392	1.1
131.03484	2.5
137.02457	3.6
137.09779	1.0
139.03989	2.0
139.07657	1.4
143.03508	4.3
145.06589	3.7
146.03697	2.0
147.04507	16.1
148.05237	3.0
149.04597	1.8
151.03947	1.2
155.05006	3.4
158.03758	1.4
159.03020	3.3
159.04521	17.9
160.05275	4.7
161.02443	1.3
161.04559	15.1
161.05919	2.1
171.04517	1.7
171.10263	7.7
172.05275	21.2
173.06059	100.0
174.03189	1.3
174.06427	7.0
175.04015	2.9
176.04730	1.6
179.05638	5.1
183.04536	2.2
185.06085	4.1
186.06795	2.4
187.03976	6.2
187.07626	13.9
188.04839	1.9
188.08444	5.1
189.05470	1.1
191.03513	3.7
192.04305	2.3
196.05318	2.3
197.06076	19.5
198.06850	9.2
199.07549	4.8
201.05556	25.6
202.05922	2.5
203.03563	3.9
203.07114	1.5
204.04195	1.6
209.06100	1.7
211.07626	2.9
213.05545	4.1
213.09235	2.5
213.26616	1.0
214.06342	2.5
215.07109	17.2
215.10664	1.5
216.04366	1.9
216.07921	7.9
217.05034	21.7
217.08189	1.2
218.05568	2.4
223.07634	1.9
223.13222	1.1
225.05510	2.3
225.09116	1.0
227.10786	9.2
228.11420	2.4
229.12289	4.0
231.06689	1.5
237.09328	1.0
241.12331	13.3
242.12645	1.9
243.16034	3.0
244.11044	6.2
251.10793	1.3
253.14458	1.2
255.10272	9.7
256.10876	2.7
260.06882	19.6
261.07333	1.9
265.12350	2.7
267.13852	22.3
267.16501	1.2
268.14294	3.3
269.11832	1.1
285.14938	28.1
286.15375	3.1
293.17560	2.0
299.02005	1.6
311.12936	3.3
311.18585	1.7
328.02237	1.6
329.13916	19.4
330.14420	2.8
343.04694	2.0
355.25003	1.0
358.06891	3.8
373.05713	1.6
373.13000	20.0
373.22122	6.5
373.26047	39.9
374.08783	1.1
374.13266	2.8
374.22525	1.8
374.26468	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	373.0926
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
59.01351	2.7
61.98811	2.5
65.00323	1.0
70.63911	1.3
70.64228	1.1
71.01363	0.9
71.05025	1.3
89.94776	0.9
91.05513	2.6
93.03467	1.2
95.05025	2.4
103.05540	1.3
105.03456	3.2
108.02148	1.6
117.03436	1.0
119.05004	2.8
120.97326	0.8
121.02934	6.9
123.04504	5.0
134.03735	0.8
136.98759	2.4
137.02399	2.5
137.09680	1.5
139.00333	0.9
139.03938	1.3
145.02980	4.8
146.03670	0.9
147.04509	36.7
147.86900	0.8
148.05325	12.4
149.06079	22.1
150.06325	1.0
151.04056	1.0
161.02414	4.4
161.99525	2.3
164.98309	0.7
172.05258	0.9
173.71794	0.9
176.04721	1.0
177.02013	0.9
191.03485	11.7
192.04311	4.6
193.05040	25.4
194.05327	1.9
200.04784	2.0
213.01913	7.4
214.02231	1.1
221.08281	4.0
227.03430	2.1
228.04373	1.7
229.01389	1.9
230.02184	2.0
241.01393	8.6
242.02115	1.8
242.97112	0.8
244.03726	1.2
255.02992	1.5
256.03696	4.7
257.00879	6.6
257.15433	2.8
258.01468	1.1
269.00851	7.1
270.01349	0.8
271.02399	2.7
272.03201	3.3
272.05963	0.9
282.01791	1.0
283.02597	1.7
284.03186	3.3
285.00464	7.9
285.14951	4.3
287.05780	1.1
297.00381	14.8
298.00784	1.2
299.01871	4.6
299.05325	1.6
300.02631	12.0
301.02954	1.3
304.02203	1.8
311.01999	1.2
312.02640	5.8
312.99841	13.6
313.03101	1.3
314.00308	1.2
315.05081	14.9
316.05341	1.4
327.01627	1.5
327.04898	1.2
328.02213	23.6
329.02499	3.0
329.13907	6.2
331.24902	1.8
343.04572	34.2
344.04880	2.9
357.06171	1.4
358.06891	91.4
359.07303	10.5
373.09174	100.0
373.12872	6.5
374.09387	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	373.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07132	2.0
59.01382	20.9
61.18975	2.2
61.48108	2.4
61.98820	2.3
71.01368	5.1
71.24616	4.7
85.02952	6.7
87.00854	3.4
93.03447	10.5
95.19560	2.5
101.79771	2.5
108.02168	4.8
121.02937	4.7
122.03711	6.7
123.00865	3.1
123.04517	3.8
133.02992	2.7
134.03705	3.3
137.02432	4.4
137.09700	2.8
137.99399	2.7
145.02931	4.2
149.02495	3.4
150.03197	2.5
151.04002	3.0
153.01926	4.4
155.10751	4.4
163.03934	2.7
164.04716	2.4
165.05548	4.6
167.04977	3.4
168.04245	3.9
169.05064	3.2
169.06563	5.3
173.04529	36.7
180.05789	3.7
181.06386	3.8
181.90576	2.3
183.04526	3.1
185.06076	6.7
195.04457	6.1
196.05292	8.2
197.06047	18.5
197.11833	3.1
199.09689	5.6
209.06129	5.3
211.07712	4.0
212.04808	3.5
213.05579	22.5
215.03442	4.0
223.03963	9.2
224.04759	16.0
225.05540	39.6
226.06279	3.0
236.04726	3.6
237.05573	6.3
238.06389	6.0
239.07132	14.8
240.04320	4.7
240.07837	6.1
241.05046	89.9
241.10803	4.4
242.05367	10.5
243.06590	5.0
252.07999	3.0
253.05034	84.1
254.05385	7.4
256.07404	66.1
257.07712	4.7
259.06018	3.8
260.06882	14.2
267.06583	11.2
268.07382	61.4
269.07782	7.9
271.06503	4.6
271.09723	100.0
272.09915	10.8
281.04520	5.3
283.09732	54.5
284.09979	6.6
286.08322	3.3
297.04037	5.0
300.06369	4.4
301.10791	43.1
302.11111	3.9
311.09979	6.3
315.08643	14.2
327.08615	8.4
328.64597	2.3
331.17557	3.0
343.08231	22.1
345.09933	12.7
355.08218	33.9
356.08478	4.1
373.09470	10.9
373.15262	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	373.0923
Annotation	Eriostemin
Peak:m/z	Relative Intensity
59.01368	1.8
67.47791	0.7
68.01026	0.7
71.01368	1.1
85.02921	1.1
95.01360	0.9
108.02160	1.5
117.03437	1.5
120.58088	0.8
121.02924	1.2
123.04490	1.8
124.98869	0.8
133.02951	2.7
146.03728	1.2
147.00911	1.3
147.04556	3.0
148.05234	2.3
149.06079	1.9
157.02913	1.2
161.02428	12.6
161.06064	3.2
162.02939	1.1
162.06856	7.3
169.02892	2.0
175.03918	1.1
176.98303	2.5
179.03531	1.5
185.02463	5.4
187.03978	2.7
187.07639	1.0
188.04713	1.4
189.05530	4.4
190.06409	1.1
191.03426	1.5
193.01424	1.6
193.04996	2.0
197.02428	1.3
198.03232	1.1
201.01961	6.4
201.05551	2.6
204.97723	1.4
213.01903	14.5
214.02425	1.7
216.04251	1.9
217.85727	0.8
219.99953	1.0
226.02493	1.2
227.03450	1.9
229.01382	13.1
234.05150	4.3
241.01349	15.4
241.05130	1.1
242.01852	1.4
243.02914	1.7
244.03784	6.9
254.02295	0.9
256.03738	8.0
257.00830	8.6
257.15457	2.4
258.01135	1.3
269.00894	15.1
270.01230	1.7
271.02487	1.9
271.05997	1.6
272.03156	2.5
283.02396	1.3
284.03275	11.5
285.00415	21.4
285.03345	1.0
285.14941	2.8
286.00671	2.3
297.00299	1.3
298.00980	1.1
299.02155	1.9
299.05563	4.8
300.02756	14.3
301.03171	1.2
312.02753	2.4
312.99887	19.9
313.03168	0.9
313.14441	1.6
315.05109	6.0
324.46939	1.0
327.01447	1.6
328.02209	66.2
329.02576	7.1
329.13901	10.4
330.14432	2.0
331.15353	1.4
341.06720	1.1
342.03812	1.5
343.04547	84.2
344.04956	9.0
357.06250	1.4
358.06912	100.0
359.07211	10.8
362.29709	1.0
373.09225	97.6
373.12729	3.7
373.16046	6.0
373.25858	9.3
374.09534	12.3
374.26492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
56.20178	0.7
57.03445	12.3
58.00578	0.7
59.01376	8.9
61.98829	15.3
69.03460	1.0
70.36115	2.5
71.01386	5.1
72.99310	1.3
75.00879	1.7
78.95920	0.7
83.01393	2.7
84.02172	2.7
85.02950	100.0
86.03296	2.8
87.00879	4.7
88.98820	0.9
89.02446	3.6
93.03432	1.5
96.96019	2.1
103.00381	1.8
107.72381	0.9
109.03097	0.7
111.00829	0.8
111.08127	1.0
112.98828	0.9
114.09657	0.7
115.00394	0.8
119.05008	1.0
121.02950	9.8
123.04627	0.8
125.02477	1.5
129.01933	5.9
133.01398	1.1
135.44606	0.9
147.02995	15.0
149.04562	5.5
150.45081	0.8
151.04005	1.0
153.01912	4.8
155.07143	0.7
167.03413	1.4
168.04237	2.4
169.05040	1.1
173.00995	0.9
173.04558	2.5
181.01859	0.8
181.05081	3.1
191.01976	36.6
191.05566	4.0
192.02339	1.5
199.09804	1.9
209.03027	7.8
210.01340	0.8
210.03444	1.0
211.03510	2.6
225.05475	0.9
265.32144	0.8
267.56848	0.8
268.86441	0.7
341.12433	2.1
357.09717	0.8
373.07849	2.9
373.15137	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.50430	0.6
55.77031	0.6
57.03448	12.7
57.99520	0.6
59.01378	9.3
61.98828	10.9
62.60594	0.6
64.94153	0.7
68.99813	1.1
70.29646	0.6
71.01378	5.6
71.52074	0.8
72.65986	0.6
72.99313	2.5
73.02942	1.4
75.00848	1.6
78.95895	1.6
83.01394	2.9
84.02160	2.4
85.02948	100.0
86.03279	2.8
87.00880	4.9
89.02442	2.6
93.03474	1.6
96.96004	2.1
96.96965	1.1
99.00884	0.7
101.02435	1.0
103.00367	2.4
109.02940	0.7
111.00881	1.1
111.04448	0.8
119.05007	0.9
121.02956	8.8
123.04519	1.0
125.02452	1.8
129.01944	6.4
131.60315	0.7
142.99846	1.1
147.02986	13.8
148.03339	0.8
149.04553	5.6
149.06013	1.5
153.01927	5.6
155.07213	0.9
167.03535	0.8
168.04277	2.9
169.05019	1.9
173.04587	2.1
181.05061	2.6
191.01964	36.5
191.05540	4.6
192.02368	1.6
199.06038	0.7
199.09738	2.2
209.03050	5.7
210.03358	0.8
211.03496	2.2
313.11560	1.0
341.12338	1.9
373.03134	0.9
373.07782	3.0
373.15076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71662	0.8
57.03433	2.5
59.01381	24.7
59.08891	0.7
60.99304	1.1
61.98825	4.3
65.00317	2.0
67.01885	2.8
69.03446	3.3
71.01385	7.5
71.53354	1.1
72.99290	1.0
73.02940	2.4
74.02444	0.7
75.00887	0.8
80.58076	0.7
81.03455	6.1
83.01382	14.2
83.05033	2.0
85.02947	4.7
85.06586	1.4
87.00864	3.4
89.02462	4.9
90.19202	0.9
93.03461	19.5
95.01362	1.4
95.05032	1.0
97.02938	1.5
97.06533	1.0
97.99451	0.8
99.00875	3.9
99.04500	7.4
101.02431	3.4
105.03452	1.4
106.06575	1.0
107.01392	20.3
107.05016	0.8
108.01676	1.1
109.02943	2.2
111.04518	4.8
111.08106	1.4
113.02465	3.8
115.00340	0.8
119.03458	1.0
119.05019	2.0
121.02944	1.6
121.06567	2.1
123.00881	1.9
123.04505	3.6
124.07668	1.3
125.02438	8.7
129.01883	1.1
130.08781	0.9
132.04543	1.7
133.05457	0.8
133.06578	4.3
135.04485	1.9
137.02440	4.1
137.05975	1.2
137.09686	1.9
139.00388	1.0
139.03969	1.0
139.07628	1.0
139.15813	0.8
145.06529	1.0
147.04488	1.6
149.02455	5.2
149.06062	1.6
150.03242	1.0
151.00363	7.0
151.04053	1.2
151.07613	3.7
152.07161	12.4
153.01913	3.4
154.02698	1.1
155.03477	3.9
161.02376	1.0
161.04556	1.9
163.03969	2.9
163.07632	1.8
165.01894	2.2
165.04303	1.9
165.05539	0.9
167.03496	7.6
167.07083	1.2
169.05083	2.1
173.04539	58.8
174.04930	1.4
178.02676	1.2
179.03438	2.3
191.01994	1.0
191.03546	2.0
191.05589	12.4
191.07166	1.3
192.99825	1.0
193.01437	13.8
197.04485	1.7
199.09737	9.9
200.10098	0.8
205.01437	4.9
206.02066	1.0
207.02939	1.9
209.04448	1.3
210.05298	1.2
211.02470	0.9
211.06026	1.0
214.12265	1.1
218.99380	1.1
225.11337	2.5
235.02460	92.3
236.02786	6.0
243.06978	1.0
253.03511	19.5
254.03786	1.3
257.12924	2.4
265.03506	38.1
266.03998	1.6
277.03516	1.4
283.04642	3.6
295.04538	1.1
301.12027	1.7
337.05484	2.1
355.06686	27.9
355.10928	1.8
356.06903	2.7
371.82382	1.0
373.07712	100.0
373.14877	33.9
374.08044	9.8
374.15308	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57383	0.8
61.98829	100.0
69.36901	3.5
69.37340	3.9
74.70553	0.8
75.92547	0.9
76.64106	1.0
79.92979	0.9
100.57757	1.1
127.28691	0.9
249.96411	0.9
261.47522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
61.98829	100.0
70.68214	2.7
76.01151	1.0
83.01386	2.3
119.61518	1.1
145.83968	1.0
175.84924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02251	1.3
59.01373	5.7
61.98829	100.0
62.16459	1.2
71.13786	1.9
83.01379	3.5
103.76269	1.1
121.03001	1.8
357.12973	1.5
363.26318	1.4
394.89200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
61.98827	100.0
69.78893	4.3
73.43543	1.1
83.01382	2.3
100.82780	1.3
131.04980	1.0
136.67082	1.4
145.02956	2.4
146.03743	3.8
147.04456	1.6
159.04488	1.6
167.85361	1.2
167.91130	1.1
217.03091	1.2
234.01563	1.3
254.13109	1.2
372.15115	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	371.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
61.98818	3.3
69.92182	2.6
71.01366	1.7
79.95736	3.1
80.96511	2.1
83.01385	8.5
85.02936	2.0
86.43734	0.8
96.96004	89.8
101.02448	1.8
112.27645	0.8
112.48797	0.7
113.01741	0.8
116.55459	0.7
117.03468	3.7
121.02945	2.5
136.05266	1.8
138.08188	0.8
145.01891	1.3
145.02943	14.7
146.03320	1.0
147.04437	0.9
150.97084	1.1
180.98157	1.8
183.01097	0.8
187.03918	0.8
187.07426	1.1
188.00633	0.7
200.63928	0.8
209.03004	1.3
214.06328	0.9
231.52013	0.8
241.00229	7.1
283.13327	4.4
371.13794	100.0
371.24081	3.0
372.13989	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	372.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.1
61.76285	2.4
61.98830	100.0
62.86071	2.9
67.77952	2.3
75.22977	2.5
83.01373	6.5
86.42815	2.3
189.29152	2.6
234.39124	3.0
323.76440	3.1
372.15076	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15969	1.3
59.01363	4.3
61.98826	100.0
62.76160	1.2
72.94265	1.3
83.01359	2.1
86.52426	1.2
96.58643	1.4
98.20721	4.0
199.10310	1.5
230.13519	2.1
235.07660	1.5
237.66795	1.4
329.13608	1.5
372.15381	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75626	0.9
55.07113	0.8
59.01367	2.0
61.98830	100.0
64.55803	0.9
70.38901	1.8
70.39261	2.5
83.01363	2.4
91.96894	1.0
147.93216	1.1
195.46159	1.1
245.14854	1.0
369.89423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
54.99935	1.4
55.01869	1.9
55.60141	1.4
57.03433	5.0
59.01104	2.4
59.01378	25.3
59.70832	1.3
68.99802	3.5
69.03438	3.5
71.01377	23.0
72.99287	6.1
73.02937	2.7
74.02441	3.6
75.00862	19.1
81.03487	1.9
83.01374	3.2
83.04987	1.4
85.02947	21.9
87.00872	15.1
89.02439	5.5
93.03440	3.4
95.01366	6.1
98.20761	3.3
99.00882	10.8
103.00371	2.6
113.02444	25.5
115.00355	2.3
117.01900	2.1
121.02948	100.0
122.03290	4.5
123.04515	3.5
128.03505	2.0
129.01935	3.2
130.99780	2.6
135.04462	1.7
141.06673	1.8
149.06131	1.6
167.03445	8.0
173.04494	3.3
175.02432	4.2
177.34521	1.4
189.03984	1.4
191.01811	1.7
191.05524	1.5
193.04994	1.6
209.02972	2.6
209.08090	3.0
231.05095	5.6
249.06140	73.2
250.06448	5.6
253.05045	1.8
353.08496	2.1
371.09772	68.1
371.16541	5.6
372.10355	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	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
59.01374	24.5
61.98828	8.5
70.68514	7.4
71.01389	21.1
71.02724	3.1
73.02928	3.1
74.99132	2.9
78.95898	8.8
79.95764	2.8
80.96473	2.9
83.01385	29.1
83.57845	3.0
85.02956	12.4
86.66381	2.9
87.00867	7.8
89.02448	5.8
94.37803	2.8
95.05009	2.6
96.96005	52.6
97.06595	6.6
99.00895	4.8
101.02439	8.8
109.02921	5.7
113.02455	6.4
117.03411	4.4
121.02966	10.6
125.00527	3.2
136.05302	5.5
137.09706	3.1
139.11284	5.0
145.02959	8.3
147.04462	6.5
149.06042	2.8
159.04556	3.7
160.05234	2.5
161.04593	6.9
161.05934	3.8
168.04323	4.5
169.06595	6.3
170.03773	4.8
171.04498	4.3
172.05309	13.4
173.04651	2.9
173.06046	11.7
174.03238	3.8
175.04027	5.6
179.03476	3.3
183.04456	3.4
185.06067	30.1
186.06778	9.3
187.04045	4.4
191.03485	2.6
191.14372	6.6
195.04504	28.9
196.05290	55.5
197.06076	43.6
198.03210	3.2
199.03990	15.8
199.07666	3.6
201.09219	2.9
205.86687	3.0
209.03046	6.7
209.06076	15.5
209.07997	5.4
209.15417	10.4
210.06726	5.6
211.03941	9.4
211.07622	7.4
212.04802	5.8
213.05551	59.7
213.08842	2.9
214.03036	3.6
214.06342	97.6
215.06783	9.5
215.10745	6.3
221.06075	3.3
222.06847	3.1
223.07622	6.3
224.08159	4.1
225.05531	7.2
225.09178	6.7
226.06213	4.0
226.09842	3.2
227.10745	12.2
229.12334	5.6
235.07700	4.0
237.09128	3.8
239.07106	5.4
239.10748	34.7
240.11244	8.0
241.00334	4.0
244.10959	17.8
250.71896	3.1
253.08759	6.4
253.12236	3.9
254.09538	10.4
255.13850	7.6
257.04501	7.4
258.05316	4.9
263.10764	51.3
264.11273	12.5
265.12323	46.8
266.12814	6.0
283.13388	100.0
284.13788	11.8
327.12350	6.3
327.25296	4.2
356.12900	3.2
371.14270	50.6
371.19315	5.5
371.20074	4.8
371.24341	33.3
372.14780	7.8
372.24570	4.0
377.43155	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03448	7.5
59.01376	9.7
68.99812	1.2
70.80592	1.2
71.01381	13.2
72.99288	3.1
73.02953	1.7
75.00875	2.3
83.01385	1.9
84.02157	1.2
85.02950	64.7
86.03272	2.3
87.00874	12.7
89.02443	7.3
93.03455	0.8
99.00862	1.7
101.02461	2.2
103.00360	1.5
113.02488	0.7
115.00372	1.6
121.02948	0.9
121.94075	0.6
122.91645	0.8
123.04475	1.0
124.07693	0.7
126.02856	0.6
129.01953	3.7
131.03525	1.0
133.01434	6.7
134.03717	1.4
134.05220	0.8
135.04498	2.8
136.01636	2.3
144.06662	1.8
146.03723	1.1
147.02974	3.6
147.06635	2.4
148.05324	1.0
149.04579	1.4
149.06070	3.1
151.04021	2.3
162.03300	0.9
163.04002	1.2
164.04814	0.8
173.00780	0.7
173.04599	0.7
179.03520	0.8
179.05688	0.8
179.07129	1.6
191.01976	13.4
191.03740	1.1
191.05560	6.2
191.07066	0.9
193.07195	1.7
197.04497	1.0
209.03017	100.0
210.03290	4.1
219.06572	0.8
225.05124	0.9
235.06061	6.2
251.05510	0.6
263.42560	0.7
265.07059	1.2
286.65848	0.7
295.08121	0.9
325.11368	1.9
353.08942	1.0
371.09662	16.5
372.10217	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94243	0.6
55.01868	1.3
57.03451	5.8
59.01374	8.9
61.98832	1.7
68.99812	1.1
69.12741	0.5
70.03624	2.0
71.01374	9.9
72.99299	2.2
73.02950	1.2
75.00865	2.6
80.99796	0.5
83.01395	1.6
84.02136	0.9
85.02945	61.0
86.03283	1.3
87.00867	6.7
89.02435	5.3
93.03374	0.5
98.20616	0.7
99.00842	0.9
101.02431	0.7
103.00369	1.6
108.02152	0.6
113.02462	0.7
115.00362	0.7
122.02492	2.0
129.01936	2.9
133.01405	6.0
134.03778	1.1
135.04486	2.1
136.01649	1.0
137.89832	0.5
146.03719	1.2
147.02940	2.5
148.05319	1.7
149.06046	1.9
151.04028	1.4
161.02481	0.8
164.04773	0.7
175.04016	0.8
176.04713	1.0
177.05545	1.1
179.03459	0.5
179.07045	0.5
184.73276	0.5
191.01956	12.9
191.07133	0.7
209.03009	100.0
210.03340	3.5
219.06621	0.7
221.08109	0.8
226.70567	0.5
226.83588	0.6
235.06114	4.4
247.06071	2.2
249.06100	3.0
265.07135	4.5
278.90207	0.7
325.09152	1.1
353.08737	1.1
371.05917	0.7
371.09821	10.4
371.14203	0.4
372.09772	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	369.2431
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
55.35919	1.4
59.01369	1.7
61.98835	1.6
64.09968	1.4
65.81610	1.3
70.67412	2.5
70.67724	1.7
72.11402	1.4
105.09538	1.4
113.02475	1.5
121.03053	1.7
133.10234	2.6
136.75800	1.5
145.95172	1.5
163.11281	100.0
164.11597	6.8
179.10768	20.0
193.12338	25.1
223.04433	1.8
224.69479	1.4
258.82355	1.4
267.68027	1.7
337.21738	11.9
338.22720	1.8
369.24316	84.3
370.24707	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	370.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74589	1.2
51.04685	1.0
56.02164	1.2
57.03446	7.0
59.01373	9.6
61.92756	1.1
61.98825	2.2
64.31181	1.2
65.35226	1.1
65.63903	1.5
67.01871	1.1
71.01385	7.6
71.53545	1.2
72.12492	1.0
72.99304	4.9
73.02923	2.1
75.00867	3.0
81.03452	2.3
82.03778	1.4
83.01378	4.7
84.02166	1.7
85.02454	2.6
85.02946	36.3
86.03281	10.1
87.00872	7.2
89.02390	1.3
93.03451	3.0
99.00880	2.4
101.02431	4.3
102.02760	1.3
109.02927	2.6
111.00881	11.4
111.04489	1.3
112.01198	5.1
113.02475	2.0
119.05007	3.3
120.05349	1.5
121.02953	1.7
123.04543	2.1
123.99858	2.1
125.02425	7.8
126.02761	4.3
129.01935	12.4
130.02260	6.1
134.03743	5.8
135.04315	1.6
137.00624	1.5
137.02443	2.5
141.00177	11.1
145.02946	6.8
146.03711	2.7
147.02986	3.0
147.04478	6.7
148.04924	1.6
149.06088	6.3
150.06416	4.8
150.98576	1.9
153.00110	5.5
154.00917	3.8
161.04446	1.5
163.02217	2.2
163.03925	1.5
164.04393	1.5
165.00162	9.4
165.05568	2.8
168.99641	9.6
171.77545	1.1
173.04483	3.5
178.00919	4.4
179.01701	79.9
180.02484	66.7
181.02840	4.4
185.99910	2.9
191.05658	3.2
193.05009	9.2
194.05354	7.0
195.01215	2.0
196.05988	2.9
200.34021	1.3
205.03481	12.3
206.03835	12.3
209.02974	5.2
209.04706	2.2
220.03354	1.8
223.04568	35.3
224.01482	71.1
224.04851	26.7
225.01793	3.8
225.05075	2.4
229.42252	1.4
239.03807	100.0
240.04077	8.7
249.99399	37.9
250.99733	1.8
265.01715	77.0
266.02014	7.3
283.02789	6.2
298.01376	1.3
320.07617	1.1
326.06870	1.9
352.04614	7.0
370.05713	22.9
370.16541	2.3
371.05927	2.8
371.09979	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	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03437	6.3
59.01375	13.3
68.51846	0.9
71.01379	14.0
71.52596	1.5
72.99307	2.9
73.02946	3.0
75.00870	2.3
77.44454	0.8
83.01380	1.8
84.02172	1.7
85.02950	67.4
86.03318	1.7
87.00877	18.2
89.02446	9.2
93.03432	1.6
99.00843	1.3
101.02425	2.5
103.00412	1.5
109.02946	1.0
111.00866	1.2
113.02431	1.3
121.02969	1.6
129.01930	3.6
133.01437	6.6
134.03725	2.6
135.04501	5.6
136.01645	3.0
144.06668	2.3
146.03677	1.6
147.02986	3.4
147.04494	0.9
148.05339	4.7
149.04526	3.2
149.06104	4.7
151.04027	3.7
161.04613	1.0
161.06027	1.6
163.03949	2.2
164.04797	2.2
165.03990	3.0
173.04504	1.3
175.03891	1.5
179.05621	1.2
179.07123	2.2
188.89796	1.0
190.06386	1.2
191.01964	13.5
191.05608	13.7
191.07170	1.4
193.07172	1.8
197.04584	1.2
207.06566	0.9
209.03018	100.0
210.03342	3.7
216.04146	1.0
232.19798	1.0
235.06085	9.9
247.06085	1.8
251.05661	2.0
265.07159	2.8
277.60294	0.8
295.08389	1.7
325.11362	3.4
353.08646	1.2
371.09744	27.9
372.10013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96465	0.8
59.01382	1.6
61.98826	100.0
62.31166	1.0
71.53955	1.0
83.01370	5.7
113.22942	0.9
121.02959	2.1
136.05312	1.2
184.74174	0.8
229.08884	1.0
254.81500	1.0
370.12027	1.6
371.14850	1.4
371.23990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.9
61.98826	100.0
68.02764	0.8
70.04388	2.3
83.01378	3.5
83.01822	0.9
114.09470	0.8
121.02954	2.3
136.05269	1.3
157.57985	0.8
193.30527	0.7
305.84299	0.8
326.66000	0.8
371.14798	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49206	0.7
59.01379	2.1
61.98826	100.0
68.66380	0.5
69.85803	2.2
70.12860	0.5
81.03615	0.5
81.82497	0.5
83.01393	3.2
85.02979	0.7
87.00869	0.6
90.83273	0.5
95.48709	0.6
98.19930	0.7
121.02948	7.6
136.05331	0.8
203.24290	0.5
209.03130	0.8
371.07608	1.3
371.15158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02224	0.6
53.06982	0.7
55.01868	2.3
55.34113	0.6
57.03437	7.1
59.01368	11.0
61.98803	1.4
63.08370	0.7
64.08199	0.7
69.03417	0.7
71.01376	17.7
71.22443	1.2
72.99293	3.3
73.02932	3.8
75.00871	2.2
78.95895	1.0
83.01364	2.4
84.02156	1.3
85.02944	65.8
85.75681	0.7
86.03277	1.5
87.00867	25.2
87.01384	1.5
89.02435	6.5
97.02934	1.4
99.00869	1.6
101.02445	2.0
103.00356	2.1
109.02917	0.9
113.02412	2.1
113.20757	0.7
121.02927	1.2
121.37840	0.7
122.02489	1.0
129.01921	2.9
131.03520	1.4
133.01425	5.8
134.03731	1.4
135.04509	4.6
136.01665	8.8
136.30713	0.8
146.03778	1.4
147.03001	3.0
149.06046	2.6
151.03995	9.8
162.03177	0.9
164.04765	1.7
173.04518	1.6
175.03946	1.1
176.04680	1.3
177.05508	1.0
179.03441	1.7
179.07129	2.0
191.01973	13.2
191.05556	1.2
193.07019	0.8
204.04172	1.3
209.03001	100.0
210.03294	5.8
219.06551	2.0
235.06218	3.9
235.08398	0.8
249.05908	0.8
271.04129	0.8
295.08136	0.9
325.11230	1.5
327.10944	0.9
371.09778	45.2
372.09973	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	369.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08976	0.5
55.01873	5.0
57.03440	3.8
58.00589	1.2
59.01375	36.0
61.98824	6.1
63.90055	0.5
68.99785	0.7
69.03449	2.4
69.48453	4.0
71.01377	57.7
72.01697	0.9
72.99307	5.4
73.02943	25.7
75.00873	3.9
81.03453	4.8
83.01389	9.2
85.02943	30.4
86.03228	0.6
87.00377	0.8
87.00868	4.0
89.02440	21.8
95.01393	3.4
97.02950	3.8
98.20628	1.1
99.00874	14.7
99.04481	0.6
100.92530	0.6
101.02437	57.8
102.02774	1.5
111.00858	2.7
113.02444	23.3
115.02532	1.0
115.03998	3.5
117.00434	0.8
117.01948	0.9
119.03508	1.7
119.05012	0.9
125.02442	17.8
126.02861	0.7
129.01959	4.3
131.01985	2.1
131.03459	2.9
134.48262	0.6
143.03487	5.4
147.02954	0.7
149.04500	4.8
159.02962	5.3
161.04547	31.8
162.04878	1.2
163.03964	0.8
168.98112	0.5
191.05594	2.1
205.03493	11.0
223.04575	11.7
224.04951	0.8
227.00543	0.6
233.06638	5.2
237.09773	73.3
238.10158	4.4
257.03729	1.3
293.08798	2.6
308.70337	0.6
321.62091	0.7
369.13971	100.0
370.01819	0.7
370.14313	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	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49571	1.1
57.03449	3.1
59.01365	3.9
61.98821	5.0
70.83494	2.7
71.01381	4.6
76.71872	1.0
85.02966	4.6
87.00871	100.0
88.27759	1.0
97.06591	1.6
99.00880	1.5
109.02828	1.2
119.04991	1.8
121.02944	1.6
122.03725	2.8
123.04569	1.7
125.02457	2.9
126.75084	1.1
128.01109	1.5
129.01961	1.7
130.99852	91.6
137.02411	2.2
146.03754	1.6
147.04497	3.4
148.05292	6.2
149.06088	1.7
151.07674	2.3
163.03993	2.3
165.05576	2.2
172.05217	1.3
175.03976	2.8
176.04837	6.5
177.09224	1.2
178.00887	4.7
187.07632	1.3
190.06364	1.5
191.10736	4.5
200.04727	1.2
201.09201	1.3
205.03535	2.6
205.08734	2.7
208.11613	1.2
217.08458	1.8
219.10196	4.7
223.04578	5.7
223.09708	1.3
223.62253	1.1
229.08658	2.6
243.03165	1.2
254.04300	72.8
255.04646	4.5
265.01468	1.2
273.07648	1.3
281.48734	1.1
284.03146	1.4
289.10703	1.2
299.02103	1.3
300.02591	2.2
325.03922	2.2
351.10822	61.9
352.11249	9.1
352.80032	1.1
363.01300	1.2
369.11838	22.5
370.08881	3.4
370.12683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Fargesone C
Peak:m/z	Relative Intensity
57.03445	5.3
59.01378	0.5
61.98829	0.5
67.64471	0.3
69.11869	0.3
69.77419	0.5
69.77833	1.1
73.07050	0.2
81.03452	1.2
83.01389	1.1
85.02951	0.3
107.05047	0.7
107.08652	2.5
108.02161	0.4
109.06579	8.7
121.02960	0.8
122.56514	0.3
124.00742	0.5
124.01656	9.2
125.02460	0.8
125.09718	6.7
133.06583	0.3
137.02451	2.7
138.03185	0.7
147.14447	0.3
148.01651	0.4
149.02411	0.4
149.09705	15.4
150.03212	3.6
150.10039	1.0
151.03928	0.4
151.07634	5.2
157.23526	0.3
158.82439	0.3
161.02431	0.3
171.10234	0.3
175.04041	0.6
176.04739	1.1
176.06128	0.3
177.05527	0.6
191.07109	0.9
193.08675	100.0
194.09007	6.2
311.22095	0.4
369.13388	37.2
370.13727	5.3
370.18210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07225	0.8
55.01870	3.1
56.02206	0.8
57.03459	4.7
59.01380	3.4
60.54436	0.8
69.03474	5.5
71.01385	6.4
71.52585	1.3
72.99307	37.6
73.02953	1.0
75.00880	6.2
80.39917	0.8
81.03454	39.2
82.03786	0.9
83.01383	1.6
85.02946	26.6
85.83091	0.8
87.00871	3.7
93.03432	1.2
97.02955	2.5
99.00877	24.4
99.04478	1.0
101.02445	2.5
104.07623	0.8
111.00880	4.7
113.02440	8.0
115.00340	1.0
115.04011	1.1
117.01938	4.9
119.05014	7.4
123.04491	0.8
125.02444	100.0
126.02805	4.1
129.01942	23.7
130.02242	0.8
131.03534	4.2
143.03496	16.1
145.02977	1.0
147.03014	8.3
147.04221	1.5
149.06055	1.2
161.04512	6.3
163.04018	4.6
169.01404	2.9
177.03981	1.1
193.05046	1.4
205.03520	86.2
205.60141	0.9
206.03911	4.0
207.01198	1.1
223.04584	88.8
224.04959	4.3
263.03772	1.0
312.59085	0.9
369.08478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03445	0.7
59.01360	1.5
69.03448	1.8
71.01376	2.2
71.30184	1.1
72.99304	19.9
75.00867	3.9
81.03455	16.3
85.02943	8.0
87.00858	2.1
97.02923	1.2
99.00877	12.5
100.01228	0.6
113.02446	5.0
116.45284	0.6
117.01959	3.1
119.05004	1.8
125.02441	50.5
126.02753	1.7
129.01933	22.2
130.02196	0.9
131.03516	1.2
143.03496	7.9
147.02991	10.4
161.04539	2.3
163.03983	0.9
163.20857	0.6
169.01436	2.0
173.04485	0.9
184.52077	0.6
205.03514	42.3
206.03850	1.8
223.04567	100.0
224.04991	4.4
231.02548	0.7
280.01511	0.6
326.91177	0.6
341.41464	0.6
357.91669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
57.03456	1.9
59.01378	15.0
65.03967	0.5
69.03462	1.4
71.01387	20.0
71.22359	0.8
73.02950	11.1
81.03487	0.6
81.39639	0.4
83.01392	4.1
83.05048	1.1
85.02953	11.5
87.00874	3.9
89.02441	6.3
89.03977	1.9
93.03471	3.0
95.01396	1.2
97.02980	1.2
97.06604	0.7
99.00896	3.9
100.56609	0.5
101.02444	21.6
102.02748	0.5
107.44508	0.4
107.51602	0.4
111.00879	1.1
111.04527	3.0
113.02448	8.7
117.03452	7.3
118.03806	0.5
119.05019	1.3
121.02968	0.5
123.04488	0.6
125.02458	1.4
127.04025	0.7
129.01945	1.2
131.03490	3.8
134.03743	82.2
135.04073	4.6
137.02426	0.7
137.06111	0.7
143.03429	1.0
149.04686	1.0
149.06078	7.3
154.96603	0.5
155.03514	3.0
159.03001	1.7
161.04547	7.7
162.04848	0.5
163.04004	2.1
173.04552	6.1
173.06058	3.0
173.09729	1.4
191.05608	6.4
191.10751	1.2
193.05052	100.0
194.05386	6.5
199.07555	0.6
217.08723	2.0
217.12294	0.9
233.06743	0.7
235.11856	37.3
236.12215	2.9
243.10214	0.8
261.11346	2.8
305.10260	0.6
323.11252	0.6
332.17795	0.5
349.09290	0.7
367.10361	14.8
367.16034	38.9
368.10779	1.3
368.16418	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	367.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.4
59.73407	1.7
61.98828	100.0
62.90662	1.6
70.03793	3.4
70.04197	7.7
75.00850	2.3
87.00847	2.2
96.96008	4.9
115.88709	2.1
116.06229	1.6
124.86404	1.7
128.00758	2.2
129.29445	1.7
134.03735	4.9
145.03014	1.8
192.65973	1.7
193.05020	5.4
227.32394	1.8
237.43266	1.9
293.21030	3.5
305.25381	1.8
367.16327	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
57.03449	10.7
57.19985	0.6
58.03788	0.6
59.01373	3.8
67.01887	0.8
67.87899	0.7
69.30202	3.6
69.30620	2.3
69.31921	0.6
71.01380	6.9
72.99311	5.3
73.02940	1.0
74.57671	0.8
75.00877	2.1
81.03470	3.7
83.01388	6.4
84.02158	1.1
85.02946	56.6
86.03275	1.2
87.00890	3.6
99.00864	3.8
101.02431	5.8
107.91250	0.6
111.00874	21.4
113.02423	1.1
119.05038	5.4
119.59610	0.6
120.05390	0.7
125.02441	8.3
127.43169	0.7
129.01939	22.6
143.03474	2.2
147.03004	3.6
161.04526	2.0
163.04007	3.5
185.45551	0.7
187.02484	1.4
187.38902	0.7
205.03519	30.0
206.03844	1.6
223.04575	100.0
224.04948	4.7
279.43076	0.8
285.76321	0.7
326.79620	0.8
369.11838	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	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63588	0.6
59.01374	1.6
61.98827	100.0
62.36753	0.7
65.10294	0.5
70.06979	2.6
86.77067	0.7
95.00025	0.6
96.96062	0.9
113.03745	0.7
116.12053	0.6
117.65847	0.7
174.31548	0.7
219.90909	0.7
284.03934	0.7
369.11972	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	368.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60877	0.8
59.01372	3.1
61.72040	0.7
61.98826	100.0
69.80093	2.4
69.80505	1.5
74.38699	0.7
82.36792	0.8
98.20625	1.4
121.02956	0.9
127.80345	0.8
131.00266	0.8
147.72040	0.7
216.24655	0.7
369.12518	1.4
369.17450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98817	1.7
65.00302	0.3
69.92892	0.3
70.07459	0.3
70.91535	0.8
82.48738	0.3
87.00887	0.6
94.50967	0.3
96.35934	0.3
96.96013	0.3
105.36467	0.3
121.02958	0.8
124.91303	0.3
133.02983	1.0
134.03760	0.6
136.41426	0.3
145.02907	0.7
149.02394	1.0
160.01620	1.2
163.36710	0.4
167.98103	0.3
173.02422	0.5
175.00349	1.4
188.01163	6.4
189.01678	0.5
193.05040	0.5
197.06026	0.8
200.01140	2.5
201.01912	3.5
209.06058	0.5
211.03951	0.4
212.04875	0.3
223.04045	0.7
225.05525	1.2
227.03545	0.6
235.03984	0.5
237.05544	1.3
241.04961	0.8
243.06612	0.9
251.03523	0.4
252.04314	0.9
253.05042	3.3
254.05507	0.4
263.03384	0.6
264.04382	0.5
265.05063	1.7
267.02896	0.5
268.03723	0.7
269.04492	1.1
280.03909	0.6
281.04483	2.1
282.05261	0.4
284.03345	0.4
292.03625	0.5
295.06491	0.4
295.09747	0.9
296.03232	0.7
297.04034	12.3
298.04419	1.6
308.03369	0.5
308.10498	0.7
309.04022	67.6
310.04407	7.0
311.05740	0.5
323.05588	0.9
323.09265	1.1
335.09271	1.3
337.07217	2.3
338.07495	0.4
344.05414	0.9
351.08698	2.8
352.09476	50.7
353.09824	6.1
367.11819	100.0
368.12164	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	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.7
69.58623	0.6
95.71803	0.5
98.19859	1.5
109.46939	0.5
110.00054	1.2
125.00391	0.6
132.27843	0.5
138.24846	0.6
145.02931	0.7
163.00420	1.0
165.99039	0.5
167.04912	0.7
190.99811	1.4
192.00429	0.5
195.04562	0.9
196.05225	0.7
199.03966	0.6
211.04041	0.7
212.04781	2.1
213.05389	1.3
223.03882	0.7
223.11406	0.8
224.04843	0.6
225.05495	1.0
229.40433	0.8
237.05635	1.2
239.03453	0.9
240.04285	0.6
251.03401	1.2
252.04254	3.5
253.04997	3.6
260.62994	0.6
265.04999	2.2
267.02875	1.5
267.10168	1.1
268.03702	1.5
268.10928	1.3
269.04474	0.8
279.10193	0.9
279.32648	0.6
295.09622	3.3
296.03217	2.3
296.10480	2.9
297.04065	7.3
298.04453	0.8
299.06793	0.5
306.48788	0.6
307.09683	1.0
308.10489	5.5
309.04022	12.0
309.07480	0.6
309.11060	0.8
310.04343	1.4
323.09128	3.3
324.09680	0.7
335.09174	1.4
337.07227	0.9
351.08737	3.9
352.09485	100.0
353.09821	13.9
367.11813	89.6
368.12134	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
57.03456	1.9
59.01378	15.0
65.03967	0.5
69.03462	1.4
71.01387	20.0
71.22359	0.8
73.02950	11.1
81.03487	0.6
81.39639	0.4
83.01392	4.1
83.05048	1.1
85.02953	11.5
87.00874	3.9
89.02441	6.3
89.03977	1.9
93.03471	3.0
95.01396	1.2
97.02980	1.2
97.06604	0.7
99.00896	3.9
100.56609	0.5
101.02444	21.6
102.02748	0.5
107.44508	0.4
107.51602	0.4
111.00879	1.1
111.04527	3.0
113.02448	8.7
117.03452	7.3
118.03806	0.5
119.05019	1.3
121.02968	0.5
123.04488	0.6
125.02458	1.4
127.04025	0.7
129.01945	1.2
131.03490	3.8
134.03743	82.2
135.04073	4.6
137.02426	0.7
137.06111	0.7
143.03429	1.0
149.04686	1.0
149.06078	7.3
154.96603	0.5
155.03514	3.0
159.03001	1.7
161.04547	7.7
162.04848	0.5
163.04004	2.1
173.04552	6.1
173.06058	3.0
173.09729	1.4
191.05608	6.4
191.10751	1.2
193.05052	100.0
194.05386	6.5
199.07555	0.6
217.08723	2.0
217.12294	0.9
233.06743	0.7
235.11856	37.3
236.12215	2.9
243.10214	0.8
261.11346	2.8
305.10260	0.6
323.11252	0.6
332.17795	0.5
349.09290	0.7
367.10361	14.8
367.16034	38.9
368.10779	1.3
368.16418	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	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.3
61.98798	0.8
65.00298	0.6
69.39366	1.5
98.20648	0.4
107.01394	0.3
110.00058	1.0
117.02595	0.2
128.17258	0.2
128.38435	0.2
131.33986	0.2
135.00874	0.4
143.04918	0.3
145.02962	1.5
163.00294	0.8
167.04953	0.4
167.77037	0.3
169.06561	0.6
183.04471	0.3
184.05223	0.4
190.99797	1.5
192.00638	0.5
195.04549	0.4
196.05199	0.4
197.05989	0.6
200.08308	0.2
201.09084	0.4
209.05998	0.5
211.03932	0.9
211.11263	0.3
212.04768	2.2
213.05469	1.2
221.06432	0.3
223.03955	1.1
223.11143	0.5
224.04727	1.3
224.11798	0.3
225.05473	1.3
226.02556	0.3
235.04074	0.5
237.05470	1.1
239.03445	0.8
240.04234	1.1
241.05048	0.6
251.03415	0.6
251.10681	0.7
252.04213	2.9
253.05048	3.6
253.08702	0.5
254.05579	0.3
255.02861	0.3
255.10219	0.3
256.03754	0.3
263.03497	0.5
264.03995	0.3
265.05011	1.6
265.08691	0.4
267.02945	1.2
267.10223	0.8
268.03754	1.1
268.10959	1.5
269.04446	0.3
279.02948	0.3
279.10309	0.9
281.04501	0.8
293.08060	0.4
295.02594	0.5
295.09744	2.9
296.03262	2.4
296.10510	2.9
297.04001	9.2
298.04465	1.2
300.10104	0.4
307.09714	1.2
308.10468	4.9
309.04059	13.9
309.07474	0.7
309.10791	0.6
310.04358	1.4
323.05743	0.5
323.09244	4.4
324.09732	0.7
335.09262	1.3
337.07019	1.5
351.08759	4.7
352.09479	100.0
353.09814	12.5
367.11816	83.8
368.12164	11.9
368.16895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25549	0.4
59.01362	1.3
61.98829	0.6
67.94881	0.4
69.50879	2.3
69.51294	0.6
89.86115	0.4
90.53322	0.4
91.03992	0.6
121.02940	0.9
128.26936	0.4
131.01375	0.4
133.02951	1.3
134.03745	0.7
148.01613	1.1
149.02419	0.9
152.37183	0.4
159.58495	0.4
160.01622	1.1
161.02487	0.4
163.00362	0.4
175.00363	1.8
187.03990	0.5
188.01122	7.1
189.01764	1.3
193.05093	0.4
194.00056	0.5
200.01085	3.2
201.01892	3.4
209.06088	0.6
225.05545	0.7
227.03513	0.7
235.03911	0.5
237.05464	0.8
239.03615	0.5
241.05060	0.6
243.06590	0.5
253.05058	3.2
265.05045	1.4
267.02847	1.1
269.04572	1.1
279.02875	0.7
280.03671	0.6
281.04544	2.3
291.02988	0.5
293.21246	3.1
296.03302	0.7
297.03976	7.6
308.03290	0.9
309.04019	64.6
310.04355	7.9
311.05688	0.5
312.06189	0.8
323.05789	0.7
323.09250	0.6
333.07623	0.7
335.09152	1.2
337.07062	1.1
344.05353	1.5
351.08698	1.8
352.09473	37.9
353.09790	5.5
367.11813	100.0
368.12143	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	367.103
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.08667	0.3
59.01366	0.9
69.87458	1.2
71.01365	0.5
73.02937	0.7
81.03475	0.4
83.05025	0.5
85.02946	0.8
87.00901	0.6
89.03954	1.8
90.24657	0.3
93.03452	2.5
95.35036	0.3
98.20016	0.4
99.00796	0.3
101.02473	0.3
111.04515	2.2
114.24503	0.4
117.03458	9.6
118.03757	0.3
127.03995	0.3
129.01955	0.4
134.03729	88.3
135.04063	4.4
137.02422	0.7
149.06062	6.3
155.03508	2.4
173.04541	5.4
191.05608	4.4
193.05034	100.0
194.05359	6.8
213.95844	0.3
221.68529	0.3
235.11937	0.9
367.10333	7.8
367.15433	0.8
368.10773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
57.03448	0.7
57.20843	0.4
59.01385	2.3
60.99280	0.6
66.48029	0.5
67.01889	5.9
69.03439	1.2
70.68747	1.1
71.01379	2.8
72.38004	0.3
73.97248	0.4
81.03456	1.1
83.05035	1.1
84.93907	0.4
85.02940	1.8
87.00885	2.5
87.39849	0.4
89.03951	0.6
93.03452	31.8
94.03773	1.1
99.00844	0.4
105.52560	0.4
109.02954	1.3
109.96210	0.4
111.00858	1.5
111.04521	4.6
117.03481	2.5
119.05019	1.9
123.04486	0.6
134.03735	23.5
135.04115	0.9
137.02438	4.8
145.02969	0.5
147.04485	0.6
149.06065	2.1
155.03513	4.5
155.89188	0.4
159.04469	0.9
163.04024	1.9
165.05537	0.5
172.39578	0.4
173.04535	100.0
174.04901	4.4
174.06355	0.6
175.07603	1.0
186.06868	0.6
188.04790	1.8
189.09195	1.0
191.05594	14.9
191.10777	0.9
192.05922	0.9
193.05034	18.7
194.05370	0.7
204.07938	0.9
214.06378	0.5
216.07867	0.4
217.08618	4.0
233.11795	1.2
243.10136	2.2
255.05066	0.8
261.11295	3.1
304.05518	0.4
305.10226	0.8
349.09296	1.4
367.10303	8.2
368.10699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18700	0.6
57.03437	1.2
59.01390	3.7
59.03353	0.7
61.79175	0.6
61.98818	1.6
66.41464	0.6
70.08737	2.1
79.95743	0.7
80.38132	0.6
89.02460	0.6
91.03990	0.9
92.94781	0.7
93.07080	0.7
95.05030	0.6
96.95996	2.9
97.06562	1.9
110.33270	0.7
116.92757	0.7
121.10231	10.6
123.08142	0.8
125.09711	6.6
147.08138	1.3
151.08098	0.8
169.61389	0.7
185.11821	10.9
186.12166	1.2
197.11824	2.7
209.11943	1.3
211.13394	1.2
223.13455	0.8
235.09862	1.0
247.20708	0.9
273.18530	1.6
291.19638	100.0
292.20004	11.2
350.08099	0.9
365.10300	0.8
365.19489	0.8
365.23526	3.8
366.23389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89135	0.5
56.32280	0.6
57.03466	0.9
57.67984	0.5
59.01377	4.6
61.98818	1.1
66.70313	0.9
70.09024	2.8
82.47539	0.7
96.96002	2.7
111.08144	5.3
121.10265	4.7
125.09727	3.6
129.28059	0.6
135.11787	0.7
141.12810	0.9
147.08173	1.2
164.67937	0.7
167.10762	1.1
177.12894	1.6
185.11801	6.1
186.12164	0.8
195.13881	4.3
197.11824	1.8
209.11716	1.0
211.13452	0.8
235.09998	0.9
238.53621	0.7
247.20613	1.8
273.18640	1.7
291.19641	100.0
292.19946	13.0
365.15378	0.8
365.19611	1.6
365.23560	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	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01433	20.5
61.82268	20.4
61.98824	100.0
62.49404	21.9
67.39742	20.1
68.33018	21.6
71.52797	43.6
82.08458	20.2
91.98243	21.3
178.36060	22.0
187.75746	19.7
192.24947	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	365.2693
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01853	0.5
59.01364	0.9
61.62357	0.4
61.98831	0.7
62.65432	0.3
67.82819	0.3
71.04994	0.6
71.53535	0.5
81.42835	0.3
83.04984	0.4
87.00868	0.4
96.95979	0.6
103.59853	0.4
105.01900	0.5
137.06090	0.4
155.14417	1.1
163.11282	0.7
165.12866	2.2
181.12309	1.9
192.03136	0.6
199.13383	28.6
200.13776	1.8
229.14973	0.4
347.25928	4.1
348.26282	0.6
363.25623	0.4
365.26923	100.0
366.27258	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
52.76588	0.5
59.01373	0.6
61.98811	1.1
69.93503	0.9
69.93898	1.1
71.01382	0.5
85.06576	2.1
88.36097	0.4
96.95985	0.5
98.20547	0.5
120.67832	0.4
199.13347	2.0
219.04724	0.5
242.30704	0.4
261.18484	0.9
279.19632	16.4
280.19907	1.7
347.25867	6.7
348.26178	0.6
353.29642	0.4
363.25391	0.5
365.26923	100.0
366.27274	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06327	0.5
55.01862	2.2
57.03450	2.6
58.00587	0.6
59.01377	48.8
60.01709	1.1
61.98819	1.8
69.03467	0.8
69.30174	1.5
69.30577	2.4
71.01379	16.2
71.05005	1.1
72.99309	1.6
73.02943	6.7
75.00854	0.8
78.77728	0.5
83.01385	5.5
85.02948	9.9
86.00098	0.9
87.00879	7.0
89.02438	4.9
93.03433	1.3
95.01401	1.3
97.02943	0.9
99.00851	2.5
101.02434	17.0
101.06076	3.6
109.02956	0.8
110.21951	0.5
111.00883	1.8
112.98823	0.6
113.02449	8.1
119.03501	2.2
121.02969	0.8
121.43908	0.6
123.04494	1.1
129.02020	1.2
130.99825	0.7
133.02940	0.9
135.04483	0.5
137.02440	1.1
143.03520	0.6
145.02980	1.0
146.03719	0.8
147.04485	3.1
149.02425	0.6
149.06081	1.1
154.55112	0.5
157.12358	1.9
159.03096	0.9
159.04488	1.3
161.02437	1.8
161.04573	2.3
162.03235	1.0
163.03957	1.0
167.10791	0.6
171.04443	0.8
173.04552	1.2
173.06035	1.3
174.03284	0.6
175.03951	1.2
179.05606	1.4
185.06087	0.9
185.11819	3.3
187.04024	2.8
187.07820	0.6
188.04744	1.9
190.06308	0.9
191.03474	1.2
191.05463	0.7
201.05702	1.1
201.09230	0.9
203.01900	1.0
203.07101	0.6
203.12918	7.0
204.04221	1.5
204.13185	0.6
215.07140	1.0
216.07866	0.5
217.04980	1.7
233.08167	2.2
234.68454	0.5
235.02519	0.6
236.03290	0.7
241.08617	1.1
245.08334	0.6
259.09787	1.3
305.16000	1.9
347.17059	13.7
348.17224	1.2
365.18140	100.0
366.18497	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06367	0.5
55.01865	2.3
55.36957	0.5
57.03447	2.0
57.25629	0.5
58.00594	0.9
59.01377	36.6
60.01700	0.6
60.31177	0.5
60.42266	0.5
61.98814	2.1
63.28973	0.5
63.61647	0.5
69.03450	1.2
69.58637	2.0
69.59044	1.2
70.92949	0.5
71.01379	15.8
71.05025	0.6
72.41833	0.5
72.99290	1.7
73.02944	6.3
75.00865	0.9
83.01382	4.6
85.02946	9.0
86.00123	0.9
86.03300	0.6
87.00868	8.4
89.02437	4.2
93.03434	0.9
95.01388	1.7
97.02904	0.5
98.20627	1.0
99.00880	2.1
101.02441	15.2
101.06076	4.2
107.10330	0.6
109.02953	0.8
111.00911	1.3
113.02453	6.0
119.03461	1.6
123.04491	0.6
125.02419	0.6
129.01895	0.5
130.99835	0.6
131.05028	0.7
133.02934	0.7
135.04572	0.6
145.02979	0.8
146.03690	1.1
147.04497	2.0
149.06062	0.8
157.12296	1.5
159.03125	0.6
159.04517	1.6
161.02454	1.5
161.04591	2.8
161.05911	0.7
162.03218	1.8
163.03984	1.0
165.05435	0.8
171.04501	0.6
172.05330	0.7
172.07704	0.8
173.06027	1.8
175.03949	1.0
185.06056	0.8
185.11835	3.8
187.04021	2.3
187.07613	0.6
188.04813	2.5
191.07155	0.5
197.06068	0.5
201.05554	1.2
201.09122	0.8
202.06381	0.5
203.01891	1.2
203.03638	0.7
203.07114	0.9
203.12859	6.3
204.04211	1.8
205.08789	0.6
212.04652	0.6
215.07104	1.4
217.05069	1.3
233.08167	2.3
234.07826	0.7
241.08624	1.3
243.06694	0.5
245.04472	0.8
259.09686	1.3
277.06863	0.8
289.03735	0.6
305.15894	1.3
321.06024	0.6
329.16165	0.7
347.12735	0.6
347.17038	12.8
348.17694	1.4
363.16498	0.7
365.09088	2.3
365.18130	100.0
366.14417	0.8
366.18536	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.4
59.01361	3.7
69.03436	2.3
69.54626	15.5
73.02937	3.8
74.07581	3.0
81.03408	2.9
81.83472	2.2
85.02930	4.6
87.00870	18.7
95.56934	2.5
97.06551	3.1
98.20629	4.7
101.02444	16.9
101.02989	3.0
106.53429	2.2
109.02904	2.8
117.53111	2.1
117.90289	2.1
133.02922	5.6
135.04501	2.3
137.02464	3.3
146.03674	4.2
147.04517	29.9
148.05264	2.7
149.05965	3.5
158.03702	3.5
158.62852	2.8
159.04543	20.8
160.05171	5.0
161.06013	6.5
163.07693	5.0
172.05319	39.8
173.06071	53.6
174.03233	5.3
174.06548	7.1
175.03999	7.0
175.07613	5.2
176.04744	10.9
183.04518	3.4
186.06870	14.3
187.03975	6.5
187.07608	39.2
188.04816	3.4
188.08133	7.1
189.05553	13.2
189.09198	14.2
197.06046	12.6
198.06763	8.8
199.07729	2.8
200.04831	4.5
200.08044	3.2
201.05579	25.5
201.09195	73.9
202.02725	9.3
202.09596	6.9
203.07047	4.3
204.07890	33.5
205.08249	4.8
212.08391	6.8
215.07120	31.3
216.07869	31.5
217.04982	3.4
217.08374	5.3
217.12347	3.6
225.09160	7.0
227.10764	76.9
228.11029	5.6
229.08600	5.3
245.11790	76.5
246.12131	7.6
271.09695	15.9
277.14243	4.1
289.10791	100.0
290.11230	12.3
321.13266	7.9
333.09723	6.2
347.11514	4.1
365.08911	4.1
365.12476	52.1
366.12781	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	364.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17117	0.3
55.80909	0.3
61.98825	100.0
69.82242	1.2
87.00884	0.5
113.43353	0.3
130.99852	0.3
181.61073	0.3
183.13933	0.8
187.07545	0.3
228.45247	0.3
301.16626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1612
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
57.88815	0.4
59.01107	0.7
59.01381	8.5
62.54528	0.4
69.72195	0.7
69.72610	1.4
71.01378	21.1
73.02946	2.7
75.77748	0.4
81.41382	0.5
85.02942	1.1
85.06583	18.3
86.06846	0.5
87.00915	0.6
88.04040	6.9
89.02441	5.5
92.89774	0.4
94.23682	0.5
98.19943	0.8
99.00869	3.3
101.02480	1.2
107.21333	0.4
113.06084	3.1
115.07607	0.7
116.03548	1.1
130.08739	1.9
142.08763	1.0
143.07127	0.6
160.09785	55.9
161.04599	0.4
161.10187	2.4
183.82802	0.5
202.10742	0.6
214.10716	0.4
232.11893	0.6
247.11870	1.8
248.12170	0.5
292.14017	6.5
364.16110	100.0
365.16498	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	364.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09402	3.8
57.38290	4.2
59.01376	96.3
59.81340	4.8
60.01693	12.9
61.01786	7.6
61.75407	4.0
61.98829	100.0
63.20979	4.5
69.32042	3.6
69.32347	36.6
76.62630	5.4
95.17973	4.6
96.96023	10.8
98.20686	9.6
118.19509	5.2
163.05911	4.3
219.06926	14.9
220.07098	15.3
288.13583	9.5
290.48456	4.7
302.16769	10.4
303.16470	9.9
304.16623	79.3
305.16675	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	365.103
Annotation	Candidusin C
Peak:m/z	Relative Intensity
59.01365	4.1
68.00546	1.1
70.81680	1.1
84.59973	1.2
85.81497	1.2
92.40394	1.1
96.96010	2.4
97.19804	1.6
99.45419	1.3
142.27106	1.1
190.99875	2.1
192.00626	3.1
199.07640	1.4
239.03459	4.5
249.09030	1.3
260.06894	2.0
267.03036	1.7
276.04221	1.9
277.75616	1.5
293.08237	1.9
294.08823	2.0
305.08066	2.1
306.08981	3.2
309.03976	3.1
320.03238	3.0
321.07669	2.5
335.05582	4.6
349.07101	3.6
350.07916	98.6
351.08267	15.1
365.10275	100.0
366.10608	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	365.1027
Annotation	Candidusin C
Peak:m/z	Relative Intensity
59.01334	0.5
61.98782	0.4
65.00293	0.6
70.65742	0.7
83.72363	0.2
96.95951	0.8
110.00037	0.6
116.38068	0.3
119.04984	0.2
123.00837	0.3
124.01489	0.2
129.44225	0.3
133.99976	0.4
136.98665	0.3
147.00774	0.2
149.02423	0.4
157.06575	0.5
159.08096	0.4
161.99521	0.4
163.00357	1.3
167.04956	0.9
183.04430	0.3
190.99834	1.6
192.00618	1.7
193.01347	0.3
198.06770	0.5
199.07515	0.3
207.08124	0.5
209.05960	0.5
221.06100	0.3
221.09741	0.5
223.07733	0.2
235.03889	0.3
235.07530	0.7
237.05515	0.6
237.09116	0.3
239.03389	0.4
249.09219	0.4
251.03438	0.4
251.07066	0.9
253.05005	0.4
259.07602	0.6
261.05655	0.4
261.08694	0.3
263.07043	0.9
265.05127	1.3
265.08600	1.6
266.09244	0.7
276.04272	1.2
277.04642	0.4
277.08725	1.7
278.05844	0.4
278.09094	0.3
279.02905	0.5
279.06448	0.4
281.04440	0.5
287.07040	0.4
288.07965	0.4
289.08701	0.3
290.05795	0.9
291.03635	0.3
291.06476	1.8
292.07062	0.4
293.08176	2.7
294.08994	1.9
303.06418	0.4
304.07330	0.4
305.08151	2.6
306.05533	0.5
306.08841	3.2
307.06094	0.9
307.09229	0.3
309.04037	2.2
310.04056	0.3
320.03247	2.4
321.03976	0.4
321.07599	2.6
322.08145	0.4
331.05960	0.4
332.06842	0.7
333.07626	1.4
334.04837	0.7
335.05624	4.3
336.05957	0.6
349.07175	5.9
350.07913	100.0
351.08258	12.9
365.10257	95.1
366.10611	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	363.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
61.20199	1.2
65.68384	1.3
69.91245	2.1
69.91650	5.7
73.23280	1.3
77.76103	1.2
98.19925	1.2
109.02941	2.3
121.06570	1.1
147.04500	1.7
149.06030	4.0
156.05797	1.2
157.06422	1.3
159.04498	3.0
160.05283	2.9
171.04425	1.8
171.08179	3.9
172.05324	15.0
173.05923	2.9
183.04469	1.9
184.05241	1.4
185.06073	28.6
186.06859	14.4
187.03995	2.7
187.07564	11.7
189.05612	1.6
189.09152	3.9
196.05287	18.4
197.05789	2.2
198.06891	1.4
199.04034	7.3
199.07648	26.2
200.04776	1.6
200.08391	14.8
201.09261	6.8
204.04309	2.0
209.06039	8.9
210.06873	1.5
213.05591	14.2
213.09097	2.9
214.06354	38.5
214.09648	2.4
215.06682	3.9
215.10773	9.2
216.11063	1.7
223.07648	14.9
224.08284	4.8
225.09196	45.7
226.09517	4.5
228.07877	3.5
231.10263	2.3
232.07411	2.4
241.08690	2.3
243.10236	100.0
244.10561	7.8
257.08347	1.3
275.12909	4.3
287.09158	2.9
300.22052	1.3
319.11871	1.9
363.06989	1.9
363.23843	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	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01377	3.0
61.98841	1.2
67.01871	1.9
69.03452	74.4
70.03793	2.0
71.01374	1.7
71.54562	1.0
77.59644	0.9
81.63432	0.7
85.02943	4.0
86.31460	0.8
87.00876	1.1
91.79333	0.7
95.04973	1.1
96.96023	0.9
97.06566	1.2
103.05566	1.0
104.19632	0.8
105.03437	0.9
113.02443	100.0
114.02796	3.0
117.03471	4.7
119.05017	1.9
121.02940	1.3
123.04536	1.0
126.20454	0.7
128.01172	3.4
129.01907	1.4
129.03461	2.1
131.05052	0.9
136.01677	2.0
137.02441	1.5
137.09709	0.9
143.08914	0.8
145.02950	16.4
146.03719	18.0
147.04524	18.8
148.05231	1.5
149.06061	0.8
151.03880	0.8
153.06537	0.9
158.03725	1.9
162.03236	5.7
163.04008	2.6
163.11217	1.9
173.06065	0.8
177.05571	2.4
189.01878	5.0
190.02702	9.9
191.03439	5.4
192.04271	1.3
206.71637	0.7
207.02895	1.1
214.09952	1.0
215.10681	3.1
215.14415	1.4
221.04494	7.0
222.05318	6.8
227.14359	2.0
235.09691	2.3
243.10205	5.1
245.15559	1.0
259.13266	1.1
271.13333	2.1
275.13086	0.8
287.09225	1.8
289.14441	1.0
301.14282	4.1
319.15536	2.4
363.10925	2.8
363.18173	6.9
364.18542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47447	0.4
57.03448	1.1
58.00592	0.4
59.01378	100.0
60.01699	0.9
69.03462	0.5
71.01379	12.8
71.54056	0.4
71.54480	0.5
72.99310	1.1
73.02946	6.9
75.00886	0.4
80.96538	0.5
82.30216	0.4
83.01387	2.2
85.02967	2.9
87.00903	1.7
89.02439	6.8
93.03468	0.6
95.01399	1.1
96.95985	0.4
97.06602	0.9
99.00838	0.6
101.02443	9.4
109.02980	0.6
113.02433	6.5
119.03479	3.1
125.02517	0.5
128.01155	1.0
131.03503	0.9
135.04477	0.6
137.02434	1.2
139.11378	0.6
141.09224	0.5
142.06604	1.2
143.03511	0.4
145.02959	2.1
146.03712	0.8
147.04463	1.0
149.02423	0.4
160.01717	0.6
160.05283	0.4
160.07709	1.7
161.02426	10.7
161.04439	1.9
162.03224	3.5
163.03819	0.6
172.05212	0.5
173.04555	0.6
173.06076	0.5
177.05490	0.5
179.05681	0.7
181.40665	0.4
183.10239	0.5
185.06070	0.9
186.06853	1.8
187.07597	0.8
188.01131	1.4
189.01935	6.4
190.02690	8.4
191.03468	2.6
199.07614	0.7
199.68021	0.4
201.11353	1.6
202.06389	1.0
203.03624	0.5
213.05629	1.0
214.06300	1.2
215.06979	0.6
215.10762	0.7
217.05055	0.5
222.01656	0.5
223.07506	0.5
225.09114	1.1
229.05101	0.6
233.01004	0.6
234.01692	8.7
235.02028	0.5
243.10205	5.2
244.10416	0.5
287.09232	0.8
304.11877	7.0
317.02808	0.9
319.11697	0.5
322.12930	8.3
331.08200	14.4
332.08493	1.7
363.10846	24.0
364.10950	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	364.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
58.00578	1.4
59.01375	100.0
59.57483	1.0
60.01714	1.7
61.98829	2.0
69.03436	1.3
69.36153	5.6
69.36567	3.4
71.01379	44.9
72.99303	2.4
73.02942	25.9
73.67575	1.0
83.01390	8.9
85.02952	14.2
87.00874	22.2
89.02442	27.7
93.03471	5.3
95.01382	3.7
97.06573	5.1
98.20657	2.1
99.00882	2.4
101.02441	33.6
109.02983	1.9
110.43071	1.4
111.00914	1.9
111.04520	2.0
113.01679	0.9
113.02436	28.1
114.02754	1.2
115.24165	1.1
119.03487	12.0
119.04991	1.3
121.02940	3.1
123.00885	1.9
123.04530	3.1
124.01611	1.2
125.02441	2.7
131.03497	3.1
135.04494	1.9
137.02371	2.0
139.42279	1.0
142.06606	4.9
143.03494	2.5
145.02957	6.9
146.03374	3.9
147.04541	3.2
149.04588	2.1
149.06055	3.4
155.03455	1.5
159.04506	2.3
160.07657	5.8
161.02405	3.3
161.04578	6.4
161.05792	1.1
162.02882	3.4
163.03978	2.1
165.05499	2.1
173.04529	6.7
173.06046	3.2
175.04036	1.9
177.05655	1.3
179.01694	2.1
179.05576	2.1
181.04987	1.3
186.06769	1.6
187.04021	1.8
187.07558	1.5
189.01845	3.3
189.09236	2.1
190.02489	4.4
191.03401	4.7
191.05568	2.4
192.03856	3.2
201.05585	1.5
201.09181	1.6
203.03528	1.8
215.07062	3.1
216.07851	3.0
217.08710	2.3
227.10738	2.1
230.05765	1.3
231.10178	1.8
233.08179	1.5
234.01463	1.7
235.02068	2.7
244.10567	2.1
245.12024	1.8
249.05551	1.4
255.05101	3.8
259.09744	2.9
259.13232	1.3
265.05096	1.2
266.01041	1.0
283.79916	1.1
293.00882	1.2
293.09320	1.1
294.05270	1.4
295.06171	1.4
304.11884	23.0
305.12122	1.9
310.07919	1.4
321.04257	1.6
321.07880	2.5
322.12915	33.0
323.13232	1.7
325.10855	1.9
332.08615	4.7
347.07593	3.2
350.04224	7.3
364.10873	7.3
365.07520	4.1
365.12628	2.0
369.09695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
57.41785	2.0
59.01376	99.0
61.98819	2.1
69.03451	2.1
71.01379	14.7
72.89192	1.8
73.02923	7.7
76.81709	1.8
83.01383	3.3
83.05061	1.9
85.02935	5.2
87.00872	5.1
89.02441	7.0
97.06490	1.9
98.19839	2.7
99.00854	3.7
101.02444	11.2
109.02956	3.7
113.02425	8.1
123.00903	3.0
128.01111	2.8
145.02965	3.2
149.06018	2.6
156.05823	3.1
159.04471	3.5
160.07607	2.6
161.02411	21.8
161.04521	3.3
162.03195	4.4
171.08192	3.0
172.05293	15.7
173.04475	3.2
173.05875	3.5
183.02992	2.5
184.05113	2.6
185.06064	32.9
186.06837	18.5
187.07590	14.4
188.01321	2.1
189.01865	11.7
189.05652	2.9
190.02705	14.8
191.03265	2.7
196.05251	18.8
197.05885	2.3
199.03957	6.7
199.07626	25.9
200.08377	18.0
201.09215	6.9
202.06357	5.8
204.04172	2.8
209.06058	8.0
210.06770	2.9
213.05598	13.0
213.08958	2.7
214.06337	36.2
215.06799	2.9
215.10736	10.6
223.07643	18.8
224.08202	5.9
225.09175	37.7
226.09526	4.7
230.00345	1.9
232.07323	2.5
234.01678	15.1
241.08569	3.6
242.09236	2.4
243.10234	100.0
244.10568	9.7
269.08218	2.0
287.09210	6.9
304.11844	6.7
316.46869	1.8
319.11938	4.8
322.12976	11.8
331.08139	23.1
363.06961	4.6
363.10870	37.5
363.23615	2.8
364.11111	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	363.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98820	0.4
68.84615	0.4
69.20293	0.9
69.20706	2.4
70.57732	0.3
71.01385	0.4
75.00849	0.4
85.02958	0.5
87.00863	0.7
89.03952	1.2
93.03497	0.4
97.06602	1.6
98.19923	0.7
101.60266	0.3
109.74295	0.4
113.02441	0.6
117.03464	19.9
118.03751	0.8
130.04248	0.5
131.05080	0.5
143.04971	0.4
145.02950	100.0
146.03760	22.6
147.04550	2.5
156.05742	0.4
157.06541	0.6
159.04485	0.5
160.05269	0.8
171.04463	0.5
172.05228	0.9
173.04529	0.5
173.05934	0.5
174.03242	0.5
185.06050	1.1
186.06750	0.9
187.03969	0.8
187.07539	0.5
188.04662	0.5
189.01936	2.9
190.02580	1.2
199.07703	0.8
202.06474	0.7
208.23209	0.4
213.05553	0.4
214.06354	1.7
215.10733	5.4
216.11188	0.6
225.09222	0.6
241.08788	0.5
243.10242	15.9
244.08534	0.4
244.10518	2.0
247.63824	0.4
258.47571	0.4
259.09662	0.4
275.12875	2.7
276.13297	0.4
287.09247	3.6
288.09586	0.5
293.23318	0.4
308.94537	0.4
319.11783	2.5
363.10730	1.8
364.11301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88851	0.9
59.01376	100.0
60.64392	1.0
61.98794	1.1
64.71575	0.8
95.33508	1.1
105.12196	0.9
113.04664	0.8
139.55899	1.1
177.66310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
98.19898	2.7
115.08383	0.9
117.21716	0.8
126.12890	0.8
130.18990	0.9
132.86627	0.8
133.36647	1.1
155.33495	0.9
164.98235	1.1
177.05568	0.8
191.03462	2.7
203.03595	1.1
203.80809	0.8
207.86502	0.9
226.00946	1.0
231.02966	1.7
259.02509	3.8
284.03299	1.2
287.01877	4.3
301.03580	1.1
302.04269	6.3
317.06665	6.2
353.90335	0.9
363.21848	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	362.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86018	1.2
59.01372	7.2
61.98829	100.0
71.54510	2.1
75.22250	1.1
87.00874	2.5
87.50957	1.4
96.96037	2.2
167.47649	1.1
172.35741	1.2
220.72426	1.2
239.07123	7.6
267.06635	3.0
283.06186	1.6
285.62360	1.8
299.09247	22.9
300.09570	3.1
361.28531	1.7
363.25085	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11010	0.5
57.03426	0.7
59.01379	100.0
60.01720	1.3
61.98825	1.4
69.46236	4.1
71.01383	2.5
73.02957	0.8
75.38688	0.6
80.59719	0.6
85.02950	1.7
87.00898	1.4
89.02456	1.2
93.03447	1.3
98.19833	1.2
101.02451	0.8
113.74419	0.6
119.05033	2.4
120.05412	1.2
125.02480	0.7
129.01904	0.8
132.52718	0.6
135.00070	0.6
140.07175	79.8
141.07530	2.5
153.65483	0.6
163.03960	3.8
164.04356	1.2
173.04538	1.6
183.10352	0.7
191.05540	1.4
256.07028	0.7
268.57138	0.7
301.12170	0.8
302.12369	2.5
352.98740	0.6
362.08316	1.0
363.16568	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67716	0.8
57.03426	1.2
59.01364	2.0
61.98805	1.0
65.00317	4.5
71.01387	0.8
71.14392	1.2
85.02941	2.8
96.99310	1.1
97.06572	1.0
98.79900	0.8
117.03448	1.7
121.02926	3.2
123.04527	0.9
127.11305	0.8
136.98770	2.3
137.02388	1.7
145.02901	1.7
147.04547	2.1
159.04509	3.7
161.02419	3.0
163.03979	4.1
164.98288	6.2
165.05566	0.8
171.04485	4.4
171.10234	6.9
173.02335	1.4
175.03978	2.3
177.05534	1.9
183.13835	1.4
187.03978	7.7
189.01953	1.5
191.03516	10.7
192.03651	1.0
197.02350	2.5
199.03856	1.5
201.01802	1.5
202.02699	1.0
203.03490	10.3
211.13437	4.8
213.01846	3.1
214.02654	1.6
215.03455	11.1
229.14445	4.4
230.02124	1.1
231.02954	19.6
232.03279	1.6
239.13159	0.9
241.01343	7.2
242.02101	1.8
243.02890	5.4
246.05391	1.7
250.22623	0.8
258.01700	6.7
259.02429	49.1
260.02740	3.3
271.02377	0.9
273.03946	4.0
285.00406	1.8
286.01163	5.7
287.01947	68.7
287.12796	1.7
288.02286	5.9
289.03525	1.0
291.19626	1.4
301.03531	11.7
302.04285	97.0
303.04648	9.7
317.06613	100.0
318.06955	11.2
319.11987	1.0
327.21713	54.6
328.22000	5.4
363.07126	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.2
69.70657	1.6
71.01391	4.2
71.05379	3.0
71.59314	1.7
73.02944	1.9
85.02937	4.5
87.00874	40.4
93.03440	4.2
93.57890	1.5
97.06557	3.7
100.05307	3.4
101.02470	1.8
109.02946	7.8
110.00098	17.7
113.02464	2.5
116.92850	5.1
119.04961	2.1
121.02967	11.3
123.00852	1.9
130.99843	2.3
136.98900	2.4
137.02477	3.2
137.99603	3.2
139.00392	8.9
140.01135	4.2
144.05751	1.8
145.02962	3.1
146.03717	5.3
147.04497	2.4
149.06032	2.9
151.00247	1.8
159.04506	5.1
160.05243	4.9
161.02332	2.5
161.05803	1.9
165.99059	60.2
166.99843	9.9
168.00652	25.4
169.01392	9.5
170.03677	2.8
171.04427	5.1
172.05267	7.9
172.35944	1.6
173.04546	2.0
173.05890	4.0
173.11816	5.8
175.03999	3.3
178.99954	2.4
181.01436	28.8
181.03043	1.5
184.00140	4.2
185.06046	20.5
186.06847	10.8
187.04060	3.0
187.07634	11.5
188.04689	2.3
189.01886	2.8
189.05533	3.9
189.09189	6.5
193.98505	5.9
194.99306	3.0
196.05281	18.8
198.03163	3.6
199.02419	4.5
199.03987	9.6
199.07632	15.6
200.04726	3.4
200.08371	8.0
201.05528	3.2
201.09138	4.3
204.04346	2.3
204.07896	4.3
206.99312	1.9
209.00905	36.8
209.06070	5.1
210.01288	2.6
213.05530	15.2
213.09222	3.9
214.06332	34.3
215.03343	2.7
215.06914	3.8
215.10739	6.7
216.04144	2.2
222.98778	1.9
223.02504	2.0
223.07587	9.3
224.08426	5.0
225.09192	48.9
226.09592	5.5
227.03450	3.1
228.07857	2.3
231.03053	4.6
231.06613	9.1
232.07207	2.0
238.01099	4.7
239.01830	2.6
241.08585	3.1
242.02217	7.0
243.02937	4.8
243.10233	100.0
244.10506	10.0
246.05321	8.1
253.03555	7.0
255.02892	3.8
257.04523	2.5
257.08072	2.6
259.02344	4.4
270.01654	8.5
271.02380	13.7
272.03217	7.0
275.12955	12.0
287.02060	4.8
287.09238	6.8
288.02679	5.0
298.01114	13.9
299.01801	9.2
302.04346	5.9
303.05109	2.2
305.40729	2.5
313.03561	12.0
315.01450	4.9
316.02155	6.0
317.06537	2.9
319.11984	8.5
330.03848	6.6
331.04517	11.1
331.08243	5.4
332.04861	2.7
334.03159	2.0
345.06107	16.6
346.06326	2.7
348.04938	2.9
363.07196	82.8
363.14548	3.7
363.23798	11.1
364.07666	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	363.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79610	2.2
57.95490	2.2
59.01382	18.4
69.48418	5.1
69.48814	13.2
71.01368	6.6
85.02974	4.3
87.00877	3.2
89.02444	3.4
93.03443	3.7
101.02496	3.1
103.75571	2.0
111.04535	3.4
113.02441	3.2
119.04958	2.8
122.03700	2.7
122.57709	2.6
129.01913	2.7
134.03828	3.3
135.04503	5.6
137.02434	21.9
139.03940	5.5
145.02933	6.9
146.03722	14.3
147.04521	30.5
148.05316	17.0
149.06044	9.4
159.04457	5.9
160.05267	9.8
161.05968	7.0
162.06804	9.9
163.03998	18.1
164.04771	2.7
172.05283	6.5
173.04578	2.9
173.06021	4.7
174.03169	4.4
174.06827	6.7
175.07634	50.3
176.07936	4.9
177.05536	7.2
185.06128	12.9
186.06804	16.2
187.03920	3.3
187.07581	7.3
188.04735	2.5
189.05545	4.2
189.09253	3.3
190.02628	2.9
191.03490	100.0
192.04190	20.6
196.05276	4.6
197.09653	5.4
199.03970	3.6
199.07584	15.9
200.08313	7.3
203.07108	12.2
212.04747	3.1
213.05518	3.9
213.09274	2.7
214.06326	14.3
215.06676	2.8
215.10748	77.4
216.11064	5.3
217.08640	3.3
217.12280	5.1
219.06587	14.1
222.05394	3.7
223.07713	5.4
224.03235	2.3
225.09157	15.2
231.10165	12.3
232.10738	5.4
236.03209	5.3
238.08263	2.3
241.08670	9.7
242.09480	2.6
243.10234	89.2
244.10497	7.8
247.06041	16.6
247.13354	10.3
248.06429	2.6
259.09726	23.3
260.10266	4.2
266.04288	10.6
275.09320	7.9
275.12823	26.1
276.13141	3.3
287.09210	35.6
288.09589	3.1
291.12314	12.9
319.11865	50.8
320.12250	5.1
322.12878	2.3
363.10855	26.1
363.18298	2.6
363.23450	3.7
364.11218	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	21.9
56.02220	0.8
57.03424	0.6
57.76033	0.5
59.01383	2.3
61.98840	2.3
66.64156	0.3
71.01375	3.3
71.54861	0.5
73.02957	0.4
75.00873	5.6
77.92955	0.4
80.95265	0.4
85.02956	3.2
87.00894	0.8
89.02426	2.2
99.00899	0.4
101.02445	2.7
119.03513	0.7
119.88715	0.4
129.01942	34.2
130.02272	1.0
147.02992	21.8
148.03287	0.4
161.02391	1.2
165.04089	1.9
173.05931	0.5
175.03969	0.6
183.13902	15.2
184.14240	0.7
195.13898	13.8
196.14151	1.0
213.14957	100.0
214.15297	7.8
237.04811	1.0
237.54945	0.8
243.02864	0.5
257.08197	1.4
259.04364	0.8
317.03241	0.7
346.03040	0.5
361.05573	0.8
361.09402	0.8
361.18683	26.4
361.25949	1.2
362.19125	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	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02320	1.0
59.01377	18.8
61.98808	1.3
70.59251	2.4
70.59619	1.1
81.16353	1.1
167.55063	0.9
277.77020	1.0
279.23267	100.0
280.23596	11.2
349.67706	1.0
361.15842	1.6
361.23553	20.9
362.23959	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18294	0.8
50.26566	0.9
51.88487	1.0
58.68953	0.8
59.01159	0.9
59.01376	9.9
64.48621	0.9
68.99815	4.8
69.03436	1.4
69.68683	0.8
71.01380	2.2
71.54128	0.8
71.54463	1.4
72.21422	1.0
73.02926	1.0
75.18787	0.8
77.03922	1.4
79.05533	3.0
85.02937	1.9
87.00848	2.7
91.05523	11.8
92.05865	1.0
93.03440	3.1
95.01369	4.6
95.05019	6.8
97.02946	2.9
99.65984	1.0
101.02438	1.3
101.03926	1.1
103.05531	8.0
103.66057	1.0
105.03461	17.4
108.02158	4.1
119.05019	17.8
121.02948	7.5
123.00891	13.2
123.04527	1.1
124.01652	6.2
125.02455	15.1
129.03456	4.5
131.05011	1.5
137.02446	4.7
139.04019	1.6
143.89587	1.0
144.55652	1.0
145.02902	3.5
146.03653	3.2
147.04509	100.0
148.05075	4.3
149.06071	17.6
163.03986	2.0
165.05594	1.3
165.82587	1.0
173.04491	4.0
175.03981	1.3
191.03477	29.7
192.04118	2.9
193.05017	10.8
194.05368	1.1
199.03998	1.3
213.09219	1.1
217.01358	5.2
229.08670	4.5
235.02486	7.7
241.08487	1.4
251.13808	1.0
257.08118	5.5
273.07788	1.1
285.07751	10.7
289.06961	1.4
317.06631	13.0
319.17615	1.6
319.21063	2.9
329.06583	1.4
361.05603	24.6
361.09778	1.6
361.22241	2.8
361.25995	1.6
362.05719	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	361.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97028	2.0
59.01377	10.8
69.41981	6.0
69.42407	11.4
71.01389	4.5
83.01370	4.8
83.05000	1.9
85.02948	6.0
93.03467	4.7
99.00771	2.6
100.18542	2.0
101.02439	2.9
108.04517	2.9
109.02929	4.3
117.03435	3.4
127.03991	4.4
128.01097	2.8
135.04498	5.7
138.01909	2.3
140.01120	2.7
143.04979	5.9
145.02945	4.2
146.03754	11.1
155.03450	2.4
157.06535	7.7
159.04485	32.3
160.05301	24.8
161.02426	12.1
161.06050	27.2
162.03221	3.4
163.04033	3.9
164.04767	4.2
164.98256	3.1
167.04945	5.4
173.04504	13.3
173.05974	4.2
174.03218	5.4
175.03961	5.4
182.99330	5.2
183.04482	7.0
183.08224	2.3
184.05191	4.1
185.06055	52.6
186.03242	3.0
187.04019	14.6
187.07600	4.9
188.04745	27.1
189.01872	5.5
189.05424	6.6
190.02643	11.5
195.04471	4.7
196.05232	2.6
199.07637	2.2
201.05542	24.7
202.06227	8.5
203.03522	15.5
203.07112	100.0
204.04214	6.1
204.07503	6.9
209.05974	7.1
211.04021	11.6
211.07556	9.9
212.04741	19.3
213.05544	31.1
214.02591	2.4
214.06068	3.3
215.03453	8.7
217.01514	2.5
226.06198	2.5
227.07111	12.2
229.05023	55.0
230.02220	2.9
230.05766	41.5
231.02979	29.3
231.06497	17.5
232.03722	35.4
233.04382	3.6
237.05479	4.6
238.06255	2.8
239.03407	2.8
240.04279	8.2
243.02831	3.4
245.07959	2.7
247.06146	6.2
255.06601	53.1
256.06900	2.9
256.33380	2.5
258.05188	2.7
273.04025	4.6
273.07602	17.7
274.04880	6.7
274.07910	2.8
284.03223	3.1
289.07208	2.4
299.05539	9.5
343.05035	4.7
361.14917	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	361.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58109	8.8
59.01365	14.8
69.61230	19.1
69.61622	25.5
71.01358	11.7
85.02946	17.8
90.73637	9.8
101.02444	18.8
110.88181	8.4
111.00863	23.6
117.01955	11.7
142.99809	14.1
147.04459	11.9
170.76315	8.8
173.04573	21.0
187.06157	9.5
191.05528	21.4
193.07198	28.0
195.61395	9.7
219.16293	9.1
325.11462	100.0
326.11584	15.1
361.08905	85.4
362.09344	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	361.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97164	0.5
57.03460	0.6
59.01380	11.7
61.98835	0.7
67.01889	0.7
68.99815	4.3
69.03450	1.3
69.30295	4.5
71.01382	1.1
77.03970	1.0
79.05540	2.3
79.43155	0.6
85.02944	2.0
86.91975	0.6
87.00883	1.3
91.05530	10.4
92.76614	0.5
93.03460	4.4
95.01388	4.8
95.05026	6.2
97.02947	3.1
101.02460	0.5
101.03976	0.9
102.04729	0.6
103.05534	6.9
105.03458	11.4
108.02151	4.5
109.02940	7.4
111.00896	1.7
111.04522	1.0
117.03421	1.0
119.05024	14.8
121.02949	33.5
121.06535	1.1
122.03757	20.2
123.00883	16.3
123.04556	2.9
124.01672	8.8
125.02441	13.5
129.03482	5.3
130.04251	1.1
131.05038	1.0
133.02954	1.7
134.03703	1.5
135.04514	2.5
136.01666	0.9
136.05305	1.9
137.02441	18.4
138.02902	0.7
139.04018	6.2
145.02956	3.5
146.03773	2.8
147.04517	100.0
148.05321	11.9
149.06085	19.8
150.03177	0.6
150.09721	1.3
154.02696	3.8
158.03754	0.9
160.01590	0.7
160.05180	0.7
161.06099	3.8
162.06761	0.7
163.03986	3.4
164.04762	1.1
165.05560	32.4
166.05927	1.3
173.06076	0.9
175.03835	1.5
175.07579	1.0
179.07143	12.3
180.07578	1.1
189.05489	0.7
191.03485	17.4
192.04259	14.3
193.05045	11.2
194.33978	0.7
199.03894	1.0
200.04710	0.8
207.03004	2.9
209.08211	1.9
209.11816	10.8
210.11996	0.7
213.11298	0.7
217.01443	5.6
218.02130	1.1
218.05927	1.0
219.02989	1.3
223.09744	1.5
224.03293	3.2
229.08675	4.6
235.02440	5.5
236.03229	10.5
241.08733	1.2
257.08157	2.7
273.07745	0.9
273.11066	0.6
275.13147	2.2
285.07648	7.7
286.08051	0.9
287.05930	0.7
289.07169	1.0
298.12094	0.9
301.19995	0.8
313.14359	1.4
315.12454	3.6
316.12891	1.3
317.06656	17.6
318.06992	2.0
327.34344	0.6
329.06577	1.6
343.04614	2.7
346.14163	9.2
347.14511	1.1
361.05670	22.3
361.16519	86.9
361.25977	1.9
362.05896	2.8
362.16782	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	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84217	0.5
55.30684	0.4
59.01379	0.9
71.01378	0.6
71.53444	0.7
73.02942	1.1
75.03431	0.4
80.90464	0.5
86.14598	0.4
87.00894	1.2
89.02450	1.7
91.28899	0.5
97.06606	0.5
97.49262	0.4
110.86488	0.5
111.08163	1.2
131.03462	0.9
149.04550	6.2
165.12839	27.7
166.13167	2.4
172.97441	0.4
173.06085	0.5
181.12320	0.6
183.13889	100.0
184.14230	7.7
193.04977	0.5
209.11839	1.6
227.12874	83.4
228.13187	7.0
263.98904	0.4
359.17084	13.3
359.28036	1.4
360.17502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09515	0.5
59.01378	23.2
61.98813	1.0
71.52515	1.0
81.10931	0.6
180.03076	0.6
277.21698	100.0
278.22095	11.1
308.02988	0.6
359.22009	23.4
360.22272	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	360.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77677	4.7
57.03431	4.7
59.01373	10.1
59.02267	4.2
61.98829	12.7
63.13493	4.9
65.00331	11.3
65.99477	4.0
65.99845	11.0
70.16907	16.4
87.00874	25.0
97.06579	5.7
109.02965	4.4
110.00108	37.5
110.56934	4.4
121.02917	4.8
122.02434	9.9
123.00875	4.5
124.04025	4.7
124.98840	7.0
136.98845	10.9
137.02417	8.5
137.59814	5.0
140.01138	6.9
145.03006	5.4
147.03282	17.3
147.04538	13.0
150.01958	71.5
162.02010	11.3
163.02786	6.0
165.99062	85.6
166.06009	5.1
170.02481	5.5
171.03191	12.2
172.03983	4.3
173.04582	6.1
175.02710	10.6
177.01964	5.2
178.01459	100.0
178.02921	10.2
179.01759	7.4
181.01401	25.8
191.02145	25.2
192.02960	18.0
193.05020	6.9
199.02715	11.7
200.03455	15.4
204.02951	11.2
205.01501	7.1
206.02203	15.2
209.00778	5.5
213.14925	8.1
215.02261	14.0
216.02983	26.3
217.03769	30.3
218.00926	43.9
219.01343	5.8
220.02449	9.0
222.01653	17.2
228.02950	14.4
231.01625	22.5
232.00056	4.5
232.02348	14.1
233.03212	13.7
243.01689	10.4
244.00366	6.7
244.02460	32.5
245.03287	14.5
254.00812	9.9
255.01677	4.5
256.02466	7.3
260.01978	10.6
264.05197	5.7
271.01328	17.9
271.99466	8.7
272.02084	12.9
273.02838	74.9
274.01181	6.0
287.01959	12.1
299.00684	33.8
300.01279	12.6
301.02240	12.5
315.01297	6.9
317.01846	11.3
359.27856	7.6
360.04218	7.7
360.10413	5.7
360.15598	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	359.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14766	1.0
57.03443	1.2
58.00577	1.0
59.01375	100.0
60.01688	1.8
61.62361	1.1
61.98820	4.6
69.43201	2.3
69.43610	4.3
71.01377	18.4
72.01691	1.3
73.02950	1.9
76.71298	1.0
77.99548	1.0
81.03434	1.3
85.02940	6.8
87.00873	2.7
89.02435	17.1
93.03452	3.9
94.03782	1.3
95.01381	2.5
99.00871	1.9
99.04520	1.5
101.02435	8.4
105.29388	1.0
110.02435	1.7
113.02449	6.3
113.03567	1.1
119.03509	5.0
119.05000	4.4
123.00886	20.3
131.03445	1.4
137.06076	49.9
138.03227	22.5
138.06419	2.4
139.00346	1.2
139.03583	1.6
143.03464	2.1
149.05954	1.5
151.04041	1.3
153.01944	1.1
153.05559	8.4
155.03447	2.1
161.04535	9.6
161.08157	8.8
166.99821	5.3
173.04489	7.5
174.04898	4.7
179.05582	4.4
182.02185	18.7
183.02650	1.6
185.08160	1.9
191.05534	2.0
192.06015	2.2
197.04527	46.2
198.04860	2.6
222.96715	1.1
235.58762	1.0
239.05653	1.4
299.11185	1.3
312.11566	1.2
359.09894	3.6
360.09341	1.2
365.47995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.35975	0.5
50.96914	0.5
57.03432	0.7
59.01375	15.9
59.97958	0.5
61.98820	2.3
63.07261	0.5
71.01370	3.3
71.52568	0.5
71.52941	0.8
73.02935	1.0
83.01360	0.9
85.02942	2.2
86.03265	0.5
89.02443	1.3
93.03461	1.5
95.01385	2.8
99.04519	1.5
101.02425	1.5
110.02497	1.2
113.02455	1.3
113.03539	0.5
115.03979	0.9
116.61501	0.7
119.05026	0.8
123.00877	38.4
124.01225	1.1
125.02380	0.6
135.04518	0.6
137.02454	1.3
137.06073	6.9
138.03218	48.6
139.03551	2.1
140.01152	1.0
141.07529	0.5
149.06012	0.8
153.01918	0.7
153.04317	1.0
153.05566	18.4
155.03474	1.3
161.04538	1.8
161.08195	8.2
165.01918	0.6
166.99850	10.7
173.04561	2.1
182.02197	37.1
183.02544	2.1
185.08093	1.1
191.05611	1.0
197.04536	100.0
198.04893	5.9
239.05649	1.3
249.05881	0.6
268.68939	0.7
348.41528	0.6
359.09518	3.1
360.09183	1.3
373.50787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23763	0.5
59.01374	3.3
69.03440	2.2
73.02966	0.7
78.67164	0.8
85.02934	1.3
87.00872	0.6
93.03465	2.0
97.02912	0.8
99.00877	0.8
103.58137	0.6
108.08196	0.9
109.08513	0.9
120.04543	2.2
122.06093	1.7
126.40785	0.6
131.06117	2.2
133.01695	1.5
140.63412	0.6
144.08107	0.7
145.02921	1.1
147.03259	41.7
148.04066	8.4
157.05270	1.8
159.05615	1.2
159.09210	1.1
163.03883	0.8
169.05396	1.1
172.07617	0.9
173.04553	1.8
175.03990	2.0
176.04803	0.7
180.04361	0.9
184.07674	1.9
185.00882	1.4
187.08740	6.8
188.09001	1.0
189.05424	1.0
190.06357	2.2
191.02194	3.3
191.07143	1.3
193.05020	1.0
194.05676	0.7
199.05048	1.5
200.05751	1.9
200.07164	2.2
205.08690	1.4
207.06680	0.7
208.07437	1.3
212.07222	6.8
213.03036	1.2
213.06635	1.0
214.07477	1.0
215.08206	3.1
215.11786	1.1
225.06662	0.7
225.10234	0.9
226.07387	1.7
227.04604	22.5
227.08244	2.3
228.05206	3.7
229.11008	0.7
238.07436	0.9
241.06085	2.0
241.09799	2.8
241.14468	0.8
242.06920	4.8
243.07729	46.5
243.11282	4.1
244.08037	4.1
253.09839	1.2
254.06877	1.0
255.07732	14.9
256.08057	1.4
269.09180	4.1
271.10870	10.0
287.06842	3.8
287.09796	1.0
297.08820	6.0
299.06790	1.0
299.18558	1.6
315.09790	10.0
316.10349	1.2
317.19568	5.6
359.08804	100.0
359.14902	2.8
359.20825	2.5
360.09076	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	359.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67493	0.3
56.12796	0.4
59.01384	1.1
61.98838	0.5
62.10989	0.4
65.61967	0.3
67.99859	0.3
68.81868	0.4
71.54185	0.7
86.35728	0.4
87.00890	1.1
89.57604	0.4
93.36755	0.4
95.01389	0.9
109.02944	10.5
109.03685	0.6
109.97282	0.4
124.01660	0.5
129.26653	0.4
133.02974	0.9
133.66884	0.4
140.39650	0.4
145.02989	1.0
146.03677	0.5
148.01698	2.6
148.98842	1.1
149.99593	1.5
151.97585	0.4
157.02997	1.0
158.03752	2.1
159.04460	0.6
161.02434	3.6
163.87521	0.4
165.12846	0.7
169.02983	0.5
170.03786	0.7
171.04480	0.5
171.10226	0.5
173.02422	0.5
173.06157	0.4
174.03189	5.0
175.03737	0.4
176.98227	2.1
177.99062	2.7
185.02457	1.0
186.03214	5.3
187.03777	0.8
189.01913	0.5
192.00591	0.8
193.01399	8.9
197.02406	1.2
198.03038	0.5
199.03935	0.5
201.01904	1.9
202.02715	5.1
203.03253	0.6
204.97685	2.1
205.98662	0.7
211.04056	0.4
213.01918	5.6
214.02708	10.5
215.03265	1.2
218.02194	0.6
220.00143	0.6
225.01898	0.5
226.02663	0.7
227.03517	1.1
229.01407	4.4
229.05003	0.9
230.02171	25.7
231.02600	2.1
239.03535	0.5
241.01418	3.0
242.02176	16.6
243.02611	1.4
246.01703	1.2
253.01308	0.6
255.02974	0.5
257.00836	3.2
257.04547	3.3
258.01691	5.7
259.02118	0.6
265.14316	0.5
267.02893	0.6
269.00995	0.9
270.01682	5.8
271.02264	0.8
283.02322	0.5
285.00793	0.8
285.04013	5.8
286.01202	11.6
286.04190	0.7
287.01617	0.8
297.00409	1.3
298.01248	1.7
299.01834	0.9
300.02887	0.5
301.03491	4.3
302.04031	0.7
311.02014	1.1
312.02667	0.7
313.00256	0.6
313.03555	1.5
314.00647	41.2
315.00937	3.4
327.05142	0.5
328.02234	0.7
329.03000	78.6
330.03323	9.2
341.17508	0.5
344.05338	39.2
345.05679	4.6
359.07681	100.0
359.28009	1.2
360.08032	13.9
381.30768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0771
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
57.03436	1.2
58.14376	0.7
59.01353	1.3
59.07573	0.7
61.05831	0.7
75.00872	6.2
82.58132	0.8
87.00869	2.6
106.44021	0.7
108.78525	0.7
114.05966	0.7
115.05025	0.8
124.01669	1.1
133.02950	1.5
147.04506	3.9
148.01694	0.8
149.04575	1.9
149.06053	1.2
149.99623	0.9
151.00345	1.0
158.03711	7.6
161.02411	2.2
162.12688	0.8
165.12819	6.0
169.02954	13.5
170.03311	1.0
173.06036	7.4
174.03232	1.8
183.13893	22.6
184.14157	1.2
185.02434	0.8
186.03212	61.1
187.03554	3.8
201.05540	9.1
202.02713	1.5
202.05873	0.9
213.01915	3.1
214.02695	18.2
215.03026	1.9
217.05089	0.8
219.06602	3.8
227.12874	16.9
228.13419	1.2
229.01460	2.2
229.05034	8.4
230.02167	12.1
231.02525	0.8
242.02190	11.4
243.06531	1.5
245.04524	3.3
247.06064	1.6
257.04535	43.3
258.01749	1.2
258.04935	2.1
270.01648	2.1
273.04037	2.5
285.04074	2.6
301.03412	2.8
313.23862	3.3
314.00760	3.0
329.03009	50.8
330.03204	6.0
344.05331	100.0
345.05692	11.5
359.07693	82.9
359.17401	4.7
359.27975	41.3
360.08051	11.3
360.17761	1.0
360.28479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98824	0.5
70.54948	0.9
70.55305	0.9
80.33576	0.4
109.02958	9.2
123.00801	0.6
124.01609	0.7
125.62149	0.4
132.24817	0.4
133.02948	0.8
145.02901	0.5
146.03716	0.5
147.04398	0.6
148.01678	2.2
148.98795	1.0
149.02373	0.6
149.99614	1.3
158.03749	2.7
161.02405	3.4
165.12816	0.8
170.03714	0.6
173.02486	0.9
174.03217	4.1
174.95660	0.5
175.03764	0.5
176.98267	1.1
177.99071	2.0
183.04692	0.5
185.02449	1.1
185.06015	0.5
186.03198	4.8
190.02632	0.6
193.01410	7.8
194.01797	0.5
197.02414	1.5
198.03192	0.6
201.01918	1.6
202.02705	4.3
204.97810	3.0
205.98473	0.8
213.01907	4.7
214.02699	11.2
215.03197	1.1
218.02159	0.8
225.01688	0.6
226.02719	0.5
227.03505	0.6
229.01370	3.9
229.05000	0.6
230.02168	22.9
231.02570	1.2
241.01369	2.8
242.02177	14.0
243.02554	1.6
243.10182	0.7
244.50510	0.4
246.01743	0.6
255.03055	0.7
257.00897	2.6
257.04529	2.9
258.01697	5.3
267.02939	0.5
269.01028	1.1
270.01654	5.2
271.02048	0.8
283.02600	0.6
285.04001	4.6
286.01187	9.3
286.04141	0.4
287.01804	0.5
294.56830	0.5
297.00351	1.4
298.01041	0.9
301.03421	3.6
311.01834	1.1
312.02551	0.7
313.03534	1.2
314.00674	36.9
315.00974	3.0
329.03000	73.1
330.03339	7.0
344.05331	35.8
344.11545	0.6
345.05707	3.8
359.07684	100.0
359.28018	1.1
360.08023	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	358.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01690	9.1
59.01375	11.8
61.98824	100.0
69.66587	38.5
69.67004	21.3
98.20642	14.9
117.69296	8.9
211.51384	9.2
336.63055	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	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	81.2
60.01714	0.7
61.98826	5.6
71.10950	0.5
71.47436	0.8
71.67265	0.6
72.99303	2.8
73.02940	0.6
74.01669	0.6
87.47136	0.6
90.97135	1.3
114.98877	2.1
117.10876	0.6
118.96632	0.7
132.98199	1.7
156.99921	6.0
157.03555	2.4
157.99983	0.9
159.01463	2.2
161.98965	0.7
174.99242	22.8
198.99573	0.7
201.02538	24.9
202.02649	2.6
203.99876	0.9
215.04291	0.9
217.00281	100.0
217.97893	2.4
218.00473	3.6
273.01706	0.8
274.99652	4.5
275.99670	1.0
298.38376	0.5
299.00964	2.0
317.00601	7.3
318.00735	2.1
359.01599	15.5
360.01675	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	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16716	0.5
51.21242	0.5
57.03433	3.3
59.01376	3.2
61.98818	4.8
65.00305	2.3
67.01878	2.0
68.99802	2.6
70.80692	1.2
71.01379	2.1
72.99288	0.5
73.02941	0.7
78.95898	0.6
81.03438	1.3
83.01378	15.9
85.02941	2.0
87.00848	0.6
88.09715	0.6
89.02431	0.9
91.01891	0.7
93.03461	0.6
97.02901	0.7
101.02434	1.8
103.11836	0.5
107.01343	2.8
108.02174	0.6
109.02944	7.9
111.00874	1.6
113.02483	0.7
121.02959	0.8
123.00876	1.9
125.02436	44.1
126.02773	1.6
134.03745	0.8
134.04672	0.7
135.00897	0.9
135.04535	0.9
137.02452	0.7
137.03510	0.8
138.03201	2.2
149.02417	3.0
149.06033	0.7
150.99191	1.0
151.00356	16.7
153.01921	100.0
154.02258	4.9
161.02455	0.5
161.04625	0.7
166.99889	0.7
167.03465	1.1
169.30003	0.5
173.04376	0.7
177.01947	3.1
178.99855	4.3
179.03494	0.9
182.02191	1.6
185.08170	0.7
189.01926	0.6
195.02951	1.9
195.06567	0.9
197.00917	0.8
197.04507	4.2
211.06261	0.5
232.24130	0.5
280.57657	0.5
287.07724	0.6
315.07132	9.3
316.07712	1.0
341.05164	0.8
342.93170	0.5
359.06110	12.8
359.09671	0.8
359.13144	0.7
360.06293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78952	0.9
55.01879	7.4
55.36767	0.9
57.03413	1.3
58.56491	0.9
59.01368	3.5
61.98824	1.8
71.01386	1.6
71.54549	1.6
73.60575	0.9
75.00866	3.9
80.82419	1.0
83.01379	2.2
83.05022	1.1
85.02962	0.9
89.02418	1.1
90.46637	1.1
97.06548	1.8
109.36463	1.0
111.08118	3.1
121.02946	6.9
126.15969	1.2
129.01074	1.5
129.01939	16.1
145.02843	1.4
147.02972	6.8
147.04562	0.9
165.12839	33.2
166.13126	2.9
173.02223	0.9
173.05998	1.3
183.13887	100.0
184.14166	6.3
187.07596	2.0
201.01849	1.8
201.05600	1.3
209.11736	4.1
215.07047	2.9
220.09908	1.3
227.12874	95.2
228.13124	7.1
241.14488	2.3
260.10474	2.6
285.13541	1.1
313.14423	2.1
325.03445	3.8
357.06104	2.8
357.15643	23.2
357.26294	4.6
358.15891	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	357.2642
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.86914	0.7
57.39340	0.6
59.01382	1.6
61.98794	0.6
62.96354	0.6
67.31300	0.6
71.01387	0.8
71.24236	1.3
83.01388	1.8
83.05007	0.9
84.58543	0.6
85.06699	0.6
93.07083	4.0
94.09150	0.7
121.02951	3.8
135.04477	0.8
137.06039	0.7
140.42430	0.6
142.97702	0.6
156.78340	0.7
174.68829	0.9
215.07045	0.8
227.16515	15.5
228.16852	1.3
260.10580	0.8
293.21246	0.9
297.24316	2.4
327.25403	17.3
328.25757	1.4
339.25403	1.7
357.06351	1.3
357.13507	1.9
357.26425	100.0
358.26776	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	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05627	4.0
61.98829	100.0
69.37663	30.7
83.01366	5.6
114.21951	4.1
356.28223	5.4
357.13019	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	357.0612
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01304	0.4
56.80958	0.3
59.01370	0.6
60.04545	0.4
63.03094	0.4
69.39960	2.9
77.03977	0.5
88.44082	0.4
93.03450	0.6
121.02943	100.0
122.03260	3.9
141.15524	0.4
142.79549	0.4
165.01906	1.1
180.05795	1.1
181.06567	7.2
182.06874	0.8
189.75584	0.4
210.41191	0.4
215.07050	0.5
225.05569	6.1
226.05922	0.7
313.07120	9.1
314.07571	1.2
321.13330	0.4
344.19003	0.4
357.06110	32.7
357.17169	0.8
357.26462	4.3
358.06470	5.3
358.27005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89865	0.8
59.01361	2.0
63.83842	0.8
69.71201	1.7
69.71598	2.6
71.01379	0.9
73.02901	0.8
81.03459	0.8
83.05028	1.2
89.02415	1.2
93.03450	3.3
111.04534	4.8
121.10240	4.5
139.11287	1.8
155.03542	6.4
155.85291	0.8
173.04558	9.6
183.10249	100.0
184.10574	7.2
184.59889	1.0
191.05684	1.9
193.79582	0.8
211.08000	0.9
229.08972	2.1
310.45435	0.8
357.15515	33.0
358.15866	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.8
59.01377	5.4
61.98833	0.8
69.03451	11.8
71.01372	3.0
71.05009	3.2
73.17767	0.6
77.38273	0.6
81.03445	0.8
83.01411	0.6
85.02959	1.4
87.00877	1.9
89.02459	2.3
93.03441	5.2
97.67809	0.6
98.20663	1.7
101.02454	1.5
111.04522	5.2
111.08137	2.6
113.02438	2.0
113.06091	1.8
119.03361	0.7
123.08167	1.0
127.04026	0.9
129.01866	0.7
139.11282	15.9
150.42036	0.6
155.03471	5.2
161.02480	1.6
161.04550	1.0
162.02774	0.9
163.02884	1.1
173.04523	9.7
174.04742	0.7
177.09138	0.6
183.10240	100.0
184.10582	7.8
191.05521	0.9
210.23978	0.7
229.45970	0.7
357.10767	3.2
357.15451	19.8
358.15741	2.3
358.20175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80054	20.5
69.64835	68.4
69.65244	46.7
70.38654	18.6
72.77753	18.1
77.02679	19.3
85.02948	100.0
191.01956	22.4
209.02994	33.7
265.56638	21.3
355.15674	84.4
355.24707	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2275
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01382	1.5
61.98822	3.3
62.85019	0.9
65.05080	0.8
71.53271	1.1
85.02954	3.2
101.06109	1.5
109.02946	1.1
111.00874	1.6
122.03728	8.5
127.07690	1.8
128.46169	0.9
135.04520	25.2
136.01651	2.0
136.04843	1.4
137.68146	0.8
141.94841	0.9
147.08176	2.9
149.06065	2.1
149.09689	8.7
151.07643	3.0
154.02718	1.9
161.09705	10.0
163.07651	3.7
163.11292	57.0
164.08411	14.2
164.11604	3.5
165.09192	9.3
166.09511	1.2
177.09209	77.8
178.09953	20.3
179.10774	75.8
180.11150	4.6
183.10321	2.0
187.11261	1.0
191.10774	11.6
193.08688	10.3
203.62303	0.9
232.90555	0.9
265.12210	1.9
280.14661	3.1
298.15717	52.5
299.16025	7.5
307.16925	1.6
309.22095	1.2
309.39200	0.9
313.21439	1.1
322.19385	2.2
337.21725	54.4
338.22104	8.6
340.20401	100.0
341.20715	12.4
355.22766	93.2
356.23141	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	356.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49419	0.8
57.03453	1.5
59.01375	6.2
61.98831	100.0
69.03455	0.9
69.54826	3.6
69.71967	0.7
71.01385	3.3
72.99316	0.7
80.65876	0.6
85.02959	6.3
85.06593	0.7
86.03307	2.3
87.00895	2.2
89.02473	2.3
93.03462	2.8
97.03025	0.7
99.00898	0.7
101.02467	1.5
109.03000	0.7
111.04435	0.6
115.00460	0.6
122.06120	0.6
123.00839	0.7
123.04540	1.7
124.97909	0.6
129.02011	0.6
131.07137	4.6
134.02429	1.3
134.03786	1.3
135.04071	1.5
137.02489	1.2
140.70462	0.6
147.04507	0.7
149.06033	0.9
150.06511	0.9
151.04053	1.3
162.03406	0.7
163.04021	2.9
173.04561	2.3
177.05592	0.7
178.02773	1.3
178.06352	1.4
179.03165	0.7
181.05119	2.3
182.05350	3.1
183.06689	0.6
187.04033	1.0
191.02008	1.3
191.05659	1.3
192.02335	0.7
193.05069	3.4
193.08731	2.8
194.05450	2.3
205.05095	2.0
209.03018	4.2
210.03304	3.0
220.07443	2.2
220.90822	0.6
235.09798	3.5
235.33026	0.6
293.12393	17.0
294.12863	1.5
356.10260	1.5
356.14206	1.2
357.11981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38561	0.5
61.98825	100.0
62.99208	0.5
69.67591	2.3
98.20613	0.7
151.04105	0.5
153.63318	0.5
183.23209	0.4
221.15422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02332	3.9
55.33252	3.3
59.01352	4.7
61.98828	100.0
69.84507	12.9
83.01379	7.0
84.78179	3.7
98.28223	3.6
121.02925	9.9
134.46504	3.2
174.57977	4.3
231.08235	3.4
285.24307	4.8
293.99133	3.9
337.01035	3.5
356.19727	4.2
357.06171	4.0
357.13385	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.6
59.01377	3.6
70.83549	1.4
71.01372	1.6
85.02943	6.2
87.00887	0.6
89.02435	0.9
93.03458	0.8
101.02429	0.9
105.63998	0.5
106.04173	0.6
113.02415	0.6
121.02917	1.3
132.02203	3.3
133.02975	1.0
134.03734	59.9
135.04066	3.1
137.02431	7.7
139.04008	2.5
149.06078	17.5
150.03232	0.8
150.06392	1.1
160.01648	16.8
163.03905	0.7
173.04642	0.7
175.03993	25.6
175.55269	0.6
176.04369	1.7
178.02704	32.4
179.03044	2.0
191.01994	1.3
191.03490	2.2
191.05540	1.1
191.07147	0.7
193.05042	100.0
194.05386	7.4
203.03386	0.6
206.05756	1.4
209.03011	1.9
214.07547	0.6
217.05057	1.5
221.08148	1.8
229.93388	0.6
235.06065	0.8
293.95432	0.6
355.10510	2.9
356.10736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00566	0.8
59.01381	10.2
63.61520	0.5
70.72156	1.7
71.01382	5.5
72.99303	0.6
76.42245	0.5
78.46268	0.4
85.02944	7.4
87.00848	1.3
88.66043	0.5
89.02437	3.6
90.55589	0.5
93.03457	1.0
101.02441	2.0
113.02447	2.1
126.38514	0.5
129.01981	0.7
132.01234	0.9
132.02177	13.1
134.03743	7.1
136.05318	0.6
147.04512	1.0
147.10310	0.5
149.06042	2.5
160.01659	65.1
161.01997	3.4
163.04076	1.2
173.04475	0.8
175.03999	100.0
176.04312	5.7
177.01895	0.8
178.02705	0.6
188.99855	0.5
191.00311	0.5
191.01942	1.9
191.03545	2.2
191.05557	1.3
191.07135	1.5
193.05055	18.3
194.05354	0.8
202.02721	0.8
206.05804	1.3
207.06650	0.9
209.03001	2.0
210.21227	0.5
217.05063	5.8
221.08195	1.5
235.06018	3.1
265.07257	1.2
295.08243	1.9
355.10416	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56892	0.7
55.01868	1.7
57.03442	3.4
59.01101	1.1
59.01373	9.5
61.98830	8.4
67.01889	6.0
71.01386	9.4
71.53681	0.9
72.99301	1.0
73.02932	2.3
81.03438	1.3
83.01391	2.0
83.05024	1.3
85.02944	20.7
87.00865	3.4
89.02468	1.4
93.03454	32.6
94.03806	1.0
95.01395	0.7
99.00874	0.8
101.02435	5.1
105.03413	0.7
109.02982	0.9
111.00876	2.4
111.03756	1.0
111.04492	4.9
113.02484	2.3
117.03448	1.0
119.05044	1.2
121.02964	1.3
123.04539	4.9
124.78728	0.7
129.01955	1.3
130.08722	0.8
132.02161	1.9
133.02957	30.0
134.03769	14.6
135.04564	6.1
137.02438	5.2
137.06070	1.0
147.03003	1.3
148.05330	0.9
149.06079	8.6
150.06824	1.0
155.03481	4.8
155.04552	0.7
160.01648	4.2
161.02434	100.0
162.02779	6.3
163.04012	1.0
163.79530	0.7
164.04750	1.0
173.04538	93.3
174.04871	3.3
175.03964	7.0
176.04735	2.7
177.01910	0.8
178.02675	1.8
179.03505	2.5
181.05035	15.3
181.08635	1.2
186.69128	0.8
191.01968	5.2
191.03539	1.0
191.05595	1.9
191.07167	3.6
193.05029	19.5
199.90314	0.7
209.03027	5.7
223.06238	0.9
235.06081	6.6
265.07104	5.3
295.08188	7.5
355.10309	72.6
356.10715	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
59.01374	2.9
61.98812	0.8
67.01885	2.6
69.76969	2.5
69.77390	1.1
71.01381	1.7
83.05025	1.3
84.02167	0.9
85.02942	12.0
85.03455	0.7
87.00874	2.2
88.59074	0.6
92.07533	0.6
93.03458	3.3
95.01385	1.0
101.02394	0.8
105.75227	0.6
107.01375	1.4
107.05033	2.0
111.00867	3.1
111.04512	1.6
115.00343	0.9
119.05051	1.1
123.00868	1.5
123.04533	16.4
123.53929	0.7
124.04847	1.0
129.01973	0.8
134.03728	11.9
134.04715	4.2
135.04489	0.7
137.02428	2.5
137.06065	4.1
138.03227	1.1
146.03616	0.8
147.02931	1.0
147.04634	0.8
149.06076	4.2
155.03506	2.7
163.03986	1.5
166.02675	1.9
173.04544	4.3
173.05919	0.7
174.01646	4.6
175.02377	0.7
175.03940	1.6
178.02762	5.9
179.03693	0.8
181.05066	100.0
182.05438	4.4
191.01945	2.9
191.03539	3.6
191.05600	1.8
193.05022	18.0
194.05367	0.7
206.05757	3.1
209.03030	5.7
217.05066	1.0
221.08119	4.6
265.07239	0.8
295.08240	1.5
303.94287	0.7
355.10400	11.6
356.10687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87648	0.9
56.92049	0.9
59.01373	4.4
66.96867	0.8
67.01888	4.4
69.76653	4.0
71.01378	4.0
83.05024	1.2
85.02950	11.8
87.00858	3.1
93.03455	25.3
94.03800	1.3
99.04529	1.0
109.02955	2.3
111.00880	1.9
111.04522	6.2
119.05021	1.2
127.04006	2.6
133.02954	1.4
134.03714	4.8
134.38336	1.0
135.04521	73.9
136.04826	3.7
137.02435	5.5
138.05615	0.8
151.64896	1.0
155.03494	3.6
161.02414	3.2
166.68204	0.8
173.04539	96.3
174.04863	4.2
179.03491	66.2
180.03819	4.5
191.05602	100.0
192.05936	3.6
241.64461	1.0
318.24268	0.8
353.08755	21.0
354.08914	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	354.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47545	4.1
59.01366	12.5
61.58463	3.6
61.98832	100.0
70.43903	8.0
71.00259	3.5
76.74724	4.5
85.02930	8.1
90.39654	4.5
90.55597	3.6
92.66525	3.9
95.05898	3.5
119.37820	4.1
131.09819	3.8
155.42540	4.1
183.64876	4.4
336.06329	4.2
355.19318	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03450	12.7
59.01378	8.8
67.45798	0.5
71.01383	6.6
71.28233	0.7
71.28576	0.8
72.99307	1.8
73.02922	1.0
75.00860	1.9
78.99265	0.5
83.01371	1.9
84.02162	2.1
85.02950	100.0
86.03281	2.7
86.35276	0.6
87.00882	2.3
88.02854	0.5
89.02453	4.0
101.02457	1.5
103.00349	1.4
110.80424	0.5
111.00861	0.6
113.02474	0.8
115.00365	0.5
118.61892	0.6
119.03498	0.5
119.05045	4.5
121.02950	1.1
129.01955	4.6
130.56294	0.5
131.03479	0.6
132.46738	0.5
133.01418	1.3
140.84903	0.5
145.02904	0.6
147.02989	7.3
148.03308	0.7
149.04541	5.4
157.50433	0.5
161.04594	0.5
163.04018	5.3
163.06131	1.0
173.04526	1.2
181.05032	0.8
191.01974	20.4
191.05629	1.3
193.05237	0.5
193.07173	1.0
209.03011	24.2
210.03398	0.8
344.33881	0.5
355.06641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
56.60839	0.5
57.03447	13.2
58.78733	0.4
59.01380	8.4
68.99816	1.0
70.26229	0.8
70.26620	1.0
71.01381	4.8
72.99299	1.4
75.00863	1.4
76.06105	0.4
82.23716	0.4
82.70630	0.4
83.01380	1.4
83.88733	0.4
84.02174	2.9
85.02949	100.0
86.03288	2.8
87.00864	1.2
89.02441	2.1
99.00817	0.4
103.00378	2.1
111.00894	0.6
119.05002	3.0
129.01944	6.7
133.01392	2.5
145.02956	0.5
147.03003	8.5
156.16496	0.5
163.03966	3.8
170.93773	0.4
191.01967	25.5
192.02260	0.8
209.03018	43.7
210.03300	1.3
294.56400	0.4
355.06683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43690	0.6
55.01862	2.4
57.03447	13.6
59.01373	8.3
59.35514	0.6
65.50678	0.6
68.99780	0.7
69.69023	1.7
69.69439	1.8
71.01385	3.5
72.99299	2.0
73.09169	0.6
75.00842	1.1
83.01382	1.8
84.02163	1.3
85.02946	100.0
86.03291	2.0
87.00874	1.5
87.15271	0.6
101.28491	0.5
103.00357	2.1
104.87285	0.6
119.05025	4.5
125.47634	0.6
129.01932	5.8
133.01407	0.9
136.97464	0.6
147.02994	10.2
163.03983	4.7
164.04483	0.6
173.04539	0.7
191.00240	1.4
191.01976	23.8
192.02435	1.1
209.03009	26.6
210.03311	1.1
242.05847	0.7
307.05325	0.6
355.06512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88023	0.9
55.01884	1.8
57.03440	11.5
59.01372	9.7
61.98833	1.6
68.99813	1.1
69.81763	5.2
70.55652	1.1
71.01381	9.2
72.99295	1.2
75.00859	1.3
77.38535	1.0
83.01367	1.2
84.02164	2.3
85.02946	100.0
86.03301	1.8
87.00898	1.3
89.02441	5.3
103.00375	2.7
115.87070	0.9
119.05001	2.8
129.01942	4.0
133.01419	6.9
147.03003	7.9
158.01013	1.0
163.03964	1.8
191.01968	24.0
193.05028	2.2
209.03012	93.0
210.03416	3.4
276.40106	1.1
372.06543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64214	0.6
54.74316	0.7
55.01873	1.6
55.17552	0.6
55.32372	0.7
57.03445	11.9
58.03742	0.7
59.01376	8.4
60.67360	0.6
61.58914	0.6
63.78930	0.7
64.35291	0.6
68.87742	0.6
68.99793	1.1
70.43174	1.1
71.01379	8.7
72.99298	1.7
75.00867	1.0
79.29820	0.9
80.35882	0.7
83.01361	1.2
84.02165	2.1
85.02949	100.0
85.23971	0.7
86.03286	3.0
87.00882	1.6
89.02443	3.2
103.00370	1.1
118.89985	0.7
119.05038	2.7
124.39312	0.6
129.01955	5.3
133.01416	5.6
135.04509	0.7
147.02969	6.4
159.22678	0.8
163.04012	2.1
191.01979	25.4
203.70752	0.8
209.03017	72.4
210.03339	2.6
352.77414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0884
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
55.01863	3.3
57.03437	9.6
59.01375	34.2
60.48501	2.1
69.03433	5.0
70.84768	5.3
71.01383	42.5
72.99307	28.2
73.02937	26.8
74.02465	2.4
75.00865	10.3
78.95895	28.9
80.07903	2.1
83.01366	6.2
85.02948	64.1
86.03304	2.8
86.39696	1.9
87.00864	30.5
89.02437	15.4
95.01381	16.4
96.95995	5.2
96.96952	3.4
97.02937	2.5
99.00870	18.1
101.02432	28.8
103.00376	2.7
109.02879	3.0
111.00836	3.4
113.02446	84.9
114.02751	3.5
115.00374	5.2
117.01929	4.5
119.03516	3.1
125.02441	4.5
126.98884	3.2
129.01917	9.5
131.03479	19.7
136.93944	5.6
138.93752	7.8
157.01384	8.7
161.04565	13.9
165.04013	3.5
168.99998	2.7
175.02493	32.7
177.97296	2.3
179.05557	11.6
193.03474	2.9
193.07227	14.2
198.12933	2.1
198.90553	4.1
200.90315	10.4
218.90276	8.3
226.98756	2.7
254.85474	3.1
256.85193	18.9
257.84656	2.2
264.99719	10.0
265.05685	22.0
268.99933	6.5
274.86914	3.8
279.94293	2.5
280.97653	2.2
318.81940	12.6
336.82639	8.7
336.98315	2.7
337.07693	5.7
354.99228	9.6
355.08707	100.0
355.12195	6.9
356.09042	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	352.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37753	0.5
53.48809	0.4
58.29956	0.4
58.41809	0.4
58.60254	0.4
61.98829	100.0
65.65287	0.4
69.38916	2.0
69.39343	1.6
69.59813	0.4
71.30025	0.4
73.09105	0.5
80.65945	0.5
81.90845	0.4
87.00904	0.6
257.08231	0.7
289.11011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.47691	0.5
59.01377	3.9
69.36817	3.3
70.54457	0.5
71.01408	1.2
73.49506	0.5
75.21772	0.5
81.03451	1.2
83.05035	0.6
85.02956	7.9
87.00882	1.8
93.03465	3.2
96.95991	1.0
101.02429	0.8
107.05022	1.4
108.92727	0.5
109.02958	0.8
111.04539	2.5
127.04005	1.8
133.02937	1.2
134.03728	5.5
135.04520	58.6
136.04839	2.0
155.03540	0.7
161.02443	4.0
173.04503	4.4
179.03490	55.5
180.03850	3.9
191.05600	100.0
192.05966	4.4
203.77098	0.6
221.10419	0.5
255.05151	0.9
353.08728	19.7
354.09021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10560	0.7
59.01368	5.2
60.99329	0.7
67.01874	4.0
67.36351	0.6
69.03436	0.8
69.53813	4.5
71.01372	4.4
73.02956	0.8
81.03460	1.5
83.05019	0.9
85.02943	13.5
87.00862	3.7
93.03451	25.9
94.03788	1.4
99.04492	1.0
107.05039	1.6
109.02940	1.9
111.00852	1.5
111.04520	6.9
113.02425	0.9
115.00340	0.8
127.04063	1.6
133.02924	1.8
134.03746	5.3
135.04523	85.0
136.04849	3.5
137.02444	5.5
155.03485	5.6
161.02452	5.4
173.04544	100.0
174.04831	4.3
176.01018	0.8
179.03490	76.5
180.03801	4.3
191.05603	73.7
192.05928	2.4
205.05064	1.0
353.08710	20.2
354.09131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01380	16.4
66.82314	3.8
68.65999	3.0
69.78598	10.6
69.79006	5.8
81.76241	2.6
87.00861	12.3
96.96008	22.7
97.06578	3.9
98.19991	6.1
108.46009	3.2
117.61689	2.4
121.02948	13.7
121.10201	7.8
122.03725	3.3
130.99852	3.1
147.04488	6.1
163.04013	3.4
171.10266	15.1
275.20184	15.4
277.76968	3.0
293.21075	9.4
315.05042	5.7
351.10773	27.1
351.17026	100.0
352.17337	11.3
368.18588	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	352.0938
Annotation	Dichotomide V
Peak:m/z	Relative Intensity
59.01371	0.3
65.00329	1.6
69.85898	1.0
89.42545	0.2
95.01440	0.2
96.88047	0.2
96.96009	0.3
98.20641	0.2
110.00115	1.1
119.04987	0.2
121.02975	0.4
123.00872	0.4
135.00894	0.4
136.98788	0.4
141.03458	0.2
143.05016	0.3
145.02951	1.9
151.00354	0.3
154.04245	0.3
155.05005	0.4
157.06578	0.2
158.03729	0.4
160.98817	0.5
161.09700	0.3
163.00397	1.3
165.99062	0.3
167.05013	0.8
169.06613	0.4
170.06839	0.2
171.04492	0.2
179.03508	0.2
181.06589	0.4
182.03673	0.4
183.01160	0.8
183.04489	0.8
184.05229	0.3
185.05956	0.2
185.09724	0.3
186.03271	0.3
190.99838	1.4
191.05618	0.4
192.00620	0.7
193.06526	0.3
194.46223	0.2
195.04514	0.8
195.08188	0.2
196.05220	0.5
197.06044	0.8
199.04019	0.5
200.08426	0.4
201.09222	0.7
207.04457	0.2
209.05995	0.5
209.09702	0.3
211.04031	1.1
212.04770	2.0
213.05585	1.2
222.10399	0.2
223.03972	1.1
223.11319	0.6
224.04779	1.4
225.05574	1.4
226.02727	0.7
227.03525	0.5
227.10741	0.3
235.04022	0.2
237.05556	1.3
239.03529	1.3
240.04228	1.4
240.11586	0.2
241.04964	0.3
251.03592	1.2
251.10686	0.6
252.04283	4.0
253.05002	3.6
253.08571	0.7
254.05711	0.3
255.03012	0.3
255.10350	0.5
263.03455	0.4
265.05051	1.9
265.08063	0.3
267.03036	1.2
267.10120	1.1
268.03693	1.3
268.11069	1.6
269.04489	0.5
279.02917	0.5
279.10114	1.1
280.03674	0.4
281.04520	0.8
283.02551	0.3
291.06711	0.2
293.08234	1.1
295.02621	0.3
295.09705	3.2
296.03308	1.7
296.10547	2.4
297.03995	6.2
298.04300	0.5
300.02838	0.2
305.08240	0.2
307.09808	1.1
308.07217	0.2
308.10495	5.0
309.04056	9.4
309.07483	0.8
309.10867	0.5
310.04333	1.1
323.05893	0.3
323.09235	4.2
324.09531	1.0
334.08551	0.2
335.09195	0.8
337.07153	1.3
351.08694	4.2
352.09482	100.0
353.09836	13.7
353.14322	0.3
353.17896	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	352.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98826	100.0
62.98525	0.4
70.04965	0.2
71.30864	0.3
85.02965	0.2
87.00894	0.7
96.96024	0.4
107.27750	0.2
121.02954	0.3
123.89087	0.2
161.02582	0.3
163.50563	0.2
172.05272	0.4
174.03236	0.5
185.08479	0.2
187.07594	0.3
199.04031	0.4
200.04755	0.6
203.07115	0.5
204.04289	0.2
215.07112	0.9
228.04323	0.9
229.05043	0.3
229.08723	0.3
257.08096	1.3
289.10843	1.4
290.11182	0.3
352.11276	0.7
353.06610	0.3
370.43777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84438	0.8
57.03445	1.9
59.01377	100.0
60.01717	1.4
69.35871	0.7
69.67711	3.7
69.68094	1.3
70.41786	0.6
71.01380	16.1
71.05022	0.8
71.62959	0.6
72.01743	1.3
73.02947	3.3
83.01366	0.8
85.02959	2.9
87.00897	1.5
88.04072	0.8
89.02442	7.0
95.01403	0.8
96.95992	1.1
98.20612	0.7
99.00897	1.7
99.04516	1.0
101.02441	7.0
111.04571	0.7
113.02436	4.7
119.03507	3.1
123.04559	0.9
125.02415	0.7
129.05579	19.0
130.05930	1.0
133.02979	1.6
140.26830	0.6
143.03580	0.8
146.08232	8.9
147.08568	5.8
157.18800	0.6
161.04539	12.5
165.05588	1.0
173.04651	0.8
177.02014	0.9
179.05684	1.8
291.10840	22.3
292.11316	2.2
351.14914	18.0
352.15314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.01372	14.6
64.46263	0.9
67.01839	1.0
68.99805	1.5
71.01375	13.6
71.01732	1.2
71.53830	1.1
72.99299	4.3
73.02950	2.0
75.00862	12.8
80.05067	1.4
83.01408	1.0
83.05040	1.0
83.44323	0.8
85.02945	16.6
87.00868	17.4
89.02428	4.0
92.05046	2.6
94.06595	1.0
95.01371	4.4
99.00881	6.6
101.02463	2.0
101.06071	100.0
102.06446	2.6
108.04545	1.6
111.00876	1.4
113.02435	18.5
115.00376	2.0
117.01964	2.3
122.06134	4.6
125.02400	1.0
129.01973	2.1
130.99844	4.7
131.06187	1.6
133.02950	2.2
138.05606	4.4
147.04489	1.6
150.05605	2.8
164.04758	1.2
166.05078	2.3
167.05815	1.0
168.06682	2.6
173.04620	2.0
175.02498	2.1
175.05199	2.4
177.05815	0.9
182.04729	0.9
187.07545	1.1
189.05515	0.9
191.10884	1.0
201.09210	1.4
210.04128	1.6
212.05614	10.5
213.06032	1.2
218.05702	1.0
219.10179	1.4
231.05122	1.7
249.06113	16.1
254.04344	3.0
289.11029	1.3
291.10870	1.1
294.42599	0.9
307.12726	2.9
309.34122	0.9
333.11975	1.9
351.12961	71.3
352.13635	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	351.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84322	1.5
70.84661	1.0
87.00876	100.0
88.01213	2.5
114.63562	0.7
116.63448	0.7
121.02973	1.3
122.03755	3.5
130.99863	55.7
132.00174	0.7
135.04517	1.5
137.02484	1.6
142.42950	0.7
147.04523	2.7
148.05206	0.7
191.03374	0.8
192.04329	1.1
201.09396	1.1
212.72601	0.7
219.10222	0.9
241.29556	0.6
254.04305	48.6
255.04701	2.3
273.07599	0.8
289.10910	0.7
319.57248	0.7
351.10892	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	351.1082
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
54.38241	1.3
63.94514	1.3
69.03451	1.9
69.41349	6.3
85.02934	1.7
87.00333	2.9
87.00871	55.6
88.01214	1.9
97.06575	11.2
101.02437	1.4
101.48241	1.2
115.00381	1.3
120.01674	1.3
121.02946	13.4
122.03704	5.1
123.04497	5.9
130.99831	8.9
146.03717	9.2
147.04515	11.1
148.05243	2.1
149.06059	4.0
159.04597	1.7
160.05275	2.0
161.06076	1.8
162.06822	2.9
163.07623	5.5
172.05293	7.0
173.06035	3.1
173.09546	1.4
174.03198	6.1
174.06860	3.0
175.03918	3.3
175.07640	28.5
176.04700	2.1
176.08023	1.4
185.06073	2.0
186.06825	4.7
187.07611	5.9
188.04791	5.1
189.05511	4.6
189.09232	2.2
190.06392	8.7
191.03442	2.9
191.10805	2.7
192.04218	1.4
200.04761	15.9
200.08415	1.7
201.05362	3.7
201.09175	14.1
202.09575	1.8
203.07132	9.0
204.07928	7.6
215.07040	3.5
216.04205	1.6
216.07941	3.0
217.08675	9.9
219.10251	18.5
220.10526	1.5
220.94467	1.2
227.10719	8.2
228.07852	4.0
229.08662	45.5
230.09042	3.6
233.33679	1.7
243.10104	1.9
245.08160	5.9
245.11795	5.3
247.09650	5.3
254.04291	5.3
261.11292	5.3
271.09756	4.0
273.07654	28.2
274.08032	3.6
289.10760	6.0
291.08698	4.0
315.08704	2.0
333.09793	13.3
334.10019	2.2
351.10815	100.0
352.11188	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	349.2018
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
55.52874	0.5
57.03428	1.5
57.59008	0.5
59.01365	1.7
69.94225	2.0
71.01379	1.1
83.05012	0.6
85.36530	0.4
87.00871	5.2
93.85489	0.5
96.96003	1.5
104.34001	0.5
113.02425	0.5
114.86356	0.4
121.02975	0.6
130.99849	1.1
145.02974	1.0
162.62477	0.5
184.56122	0.5
219.17497	0.8
259.20645	1.2
261.22198	23.5
262.22614	2.2
287.20248	0.5
305.21188	7.9
306.21576	1.0
349.20178	100.0
350.20496	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	349.2014
Annotation	Havardic acid D
Peak:m/z	Relative Intensity
57.03446	1.9
59.01356	1.7
61.64698	0.3
62.40751	0.3
69.03449	0.9
71.01369	0.7
71.54212	0.5
79.01804	0.4
83.05015	0.5
87.00871	36.3
91.61027	0.4
96.96002	1.0
130.99863	8.1
139.82954	0.4
145.02873	0.9
156.51689	0.5
175.07628	0.6
188.04742	0.6
217.08737	0.5
218.38663	0.4
219.10249	0.6
219.17429	0.5
233.18990	0.9
255.52760	0.4
259.20587	1.3
261.22192	24.6
262.22525	3.6
263.22784	1.3
277.21655	0.6
287.20087	1.4
305.21179	14.1
306.21417	1.9
307.21759	1.5
349.20084	100.0
350.20459	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	351.1082
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
59.01373	13.2
61.98820	3.1
68.99811	2.8
69.19339	14.0
70.37700	1.4
87.00874	98.3
88.01175	3.1
91.05527	2.3
93.03448	6.9
95.05031	2.4
96.20639	1.7
96.96016	4.2
96.99316	1.8
97.06584	12.9
98.81237	1.8
99.00877	1.6
105.03474	2.6
107.05053	10.4
111.04490	2.4
112.05286	9.0
117.03465	1.9
119.05006	3.6
121.02951	54.3
122.03783	18.7
123.04524	3.3
124.01664	2.4
130.99858	34.4
133.02939	5.5
135.04527	24.3
137.02419	10.1
139.03964	2.0
139.39301	1.4
146.03761	3.2
147.04512	32.4
147.29419	1.6
148.05278	6.7
149.02414	3.8
151.04019	2.7
154.02734	2.9
159.04578	2.7
161.02444	3.9
163.03999	9.8
164.04768	4.6
165.05550	3.0
172.05318	8.6
173.06021	2.7
175.04016	1.7
175.07584	1.8
176.04796	2.5
179.03506	2.1
187.07637	18.9
188.08313	3.7
189.01978	4.1
189.05562	2.6
191.03452	13.0
191.10788	5.0
192.04250	6.5
193.04956	2.9
194.02257	3.7
197.81250	1.6
200.04716	4.4
201.09280	5.6
215.07098	26.6
216.07462	1.7
217.08740	2.0
219.03001	2.3
219.10258	6.6
229.08704	2.1
233.04486	2.0
245.11795	2.1
247.02411	13.2
254.04311	35.7
261.11395	4.2
289.10739	5.1
291.08755	14.1
300.02762	4.9
315.05161	11.9
333.02289	3.1
333.09686	2.1
334.00998	1.6
351.10831	100.0
351.14453	5.0
352.11002	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	350.1453
Annotation	cis-Zeatin riboside
Peak:m/z	Relative Intensity
59.01375	5.0
63.75153	0.5
70.88247	1.2
71.01379	19.9
71.05013	7.8
72.01714	0.5
73.02965	1.5
74.12245	0.6
88.04031	5.6
89.02432	4.3
89.19086	0.5
98.20554	0.5
99.00863	2.6
99.04515	2.6
101.02423	0.8
112.24120	0.5
116.07150	1.2
129.05603	1.1
146.08218	67.6
147.08611	2.5
174.11487	0.7
204.07278	0.5
218.10255	1.5
225.94876	0.5
233.10263	1.8
278.12445	6.9
350.14520	100.0
351.14835	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	350.1453
Annotation	cis-Zeatin riboside
Peak:m/z	Relative Intensity
52.62447	0.5
59.01379	6.3
69.38919	3.6
69.39264	0.5
71.01377	22.3
71.05020	8.3
73.02927	2.3
84.42325	0.4
85.02926	0.6
86.06126	1.4
88.04044	5.4
89.02456	4.3
99.00880	2.5
99.04507	3.3
101.02440	0.5
111.20602	0.4
112.04053	1.5
114.05578	0.6
116.03543	0.8
116.07187	1.4
119.88207	0.5
128.07153	1.0
129.05574	0.6
144.06709	2.0
146.08224	70.5
147.08595	2.2
158.04587	4.7
159.02960	0.7
174.11383	0.7
178.54691	0.5
188.09308	0.6
200.21745	0.5
218.10345	1.7
233.10330	2.3
246.74640	0.4
267.61972	0.5
278.12411	8.0
279.13144	0.7
350.14532	100.0
351.14838	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03455	4.8
58.00590	3.6
59.01379	100.0
60.01705	0.8
69.03441	2.4
69.16344	6.9
70.41132	0.9
70.52830	0.8
71.01382	80.5
72.01720	2.0
72.99302	4.1
73.02944	11.0
75.00856	1.4
81.03436	1.0
81.86636	0.8
83.01382	5.6
85.02947	22.3
87.00864	4.4
87.04519	2.8
89.02445	61.0
90.02760	1.4
93.03468	1.6
95.01391	6.3
97.02956	1.7
97.06583	2.6
98.20656	1.9
99.00872	4.5
99.04536	1.1
101.02444	48.1
102.02815	1.1
102.28297	0.8
107.05045	0.9
110.06053	1.6
111.00885	1.2
113.02451	32.1
114.02766	2.4
115.11842	0.8
116.92863	1.4
119.03501	27.0
121.02977	0.9
122.06097	2.0
123.04523	2.0
125.02432	1.6
129.01910	1.0
131.03474	2.6
131.07230	0.8
135.04507	2.0
136.04071	1.5
137.06059	1.1
143.03500	5.3
145.02972	1.1
146.03719	3.0
147.04526	2.7
149.02513	1.6
149.04591	1.5
149.05994	1.1
157.06389	1.0
159.02974	3.2
159.04532	3.7
160.05254	1.1
161.04559	24.3
161.05881	1.3
162.04750	0.9
163.04002	11.4
164.04814	5.7
173.02319	1.1
173.05994	1.7
173.09740	3.8
174.03233	0.9
174.06830	4.5
175.03937	1.2
175.07561	1.9
179.05594	10.5
185.06049	1.4
185.11812	1.3
186.06778	1.7
187.04050	1.1
187.07655	1.1
187.13390	12.5
188.04793	15.5
189.05576	5.5
189.09158	4.6
196.05299	1.6
199.07718	2.6
200.08202	1.0
201.05629	1.0
201.11261	1.9
203.07108	2.8
204.07884	3.3
207.02980	1.3
208.03717	4.9
214.06310	3.3
215.07156	1.1
215.10756	1.4
217.08696	38.5
218.08974	4.4
225.09212	2.9
232.07420	1.4
243.10164	8.6
247.10852	1.0
252.02826	1.3
259.10849	0.9
261.07407	0.8
261.08453	1.1
261.11292	14.1
262.11548	1.2
287.09897	3.2
305.10345	3.9
306.11087	0.8
331.09351	1.8
349.09872	7.3
349.15234	2.7
349.18658	53.6
350.15082	1.4
350.18903	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	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01874	2.2
57.03437	3.0
57.71636	0.4
58.00591	3.6
59.01377	100.0
60.01720	1.1
61.98812	0.5
69.03461	0.8
71.01379	67.9
71.05023	0.6
72.01734	0.7
72.99297	4.0
73.02944	8.1
73.04082	1.0
75.00868	0.5
77.39900	0.5
81.03490	0.5
81.07108	0.5
83.01385	4.7
85.02949	17.0
86.03236	0.5
86.30540	0.4
87.00870	5.0
87.04530	0.7
89.02440	62.4
90.02763	1.0
91.05580	0.5
93.03477	0.8
95.01382	4.8
96.04551	0.7
97.02950	1.0
97.06590	0.9
98.02451	0.5
99.00887	3.4
99.04499	0.9
101.02439	48.9
102.02782	1.2
109.02979	0.4
113.02444	27.9
114.02780	0.5
119.03496	27.1
120.03796	0.7
121.02953	1.0
125.02451	1.5
129.01935	0.8
131.03494	3.1
135.04527	3.2
137.02438	0.6
139.05135	1.3
143.03479	5.5
145.02933	1.2
146.03723	1.2
147.04506	1.7
148.51410	0.4
149.02428	1.1
149.04529	2.5
149.06093	2.0
151.05168	0.4
159.02986	1.9
159.04501	2.3
160.05087	0.4
161.04558	16.3
161.06042	1.2
162.04768	0.5
163.03999	7.9
164.04793	4.8
164.07184	1.2
166.01413	0.5
173.02467	0.4
173.04532	0.4
173.06082	0.9
174.03220	0.7
174.06876	0.9
175.04022	0.4
175.07661	1.1
177.10384	0.6
179.03557	1.2
179.05594	10.4
180.05792	0.4
185.06042	1.2
185.11771	0.5
186.06889	0.6
187.03972	0.7
187.07672	0.8
187.13377	9.8
188.04788	4.4
188.13855	0.8
189.01913	0.6
189.05566	2.3
189.09160	2.4
191.03600	0.5
193.04974	0.5
196.05325	0.7
199.03784	0.5
199.07674	1.1
201.05571	1.1
201.11305	0.5
202.06393	0.5
203.07112	1.2
204.07837	0.6
207.02971	4.7
208.03766	3.4
211.03905	0.5
214.06360	1.2
215.10712	0.9
217.08691	8.2
218.08995	0.6
219.06567	0.6
220.07361	1.0
225.09172	1.1
243.06606	0.8
243.10199	4.7
244.87517	0.4
252.02736	2.7
261.07867	0.5
261.11313	2.6
262.11557	0.6
277.10760	0.5
287.09375	2.2
303.09915	1.4
305.10294	2.8
306.11722	0.4
316.87363	0.4
331.09097	1.2
349.09772	5.1
349.15039	1.0
349.18619	21.9
350.10004	0.4
350.18881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0926
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
50.47520	1.3
57.03448	2.8
59.01358	3.0
59.43750	1.3
69.03426	2.9
69.23042	13.3
72.01580	1.2
85.02939	2.7
87.00871	35.9
93.26730	1.5
97.06583	5.1
111.00861	3.5
121.02936	2.0
122.03729	1.7
123.04535	2.2
146.03726	9.9
147.04462	2.7
159.04494	8.3
161.06082	4.2
163.03947	5.4
163.35864	1.5
164.04759	5.2
173.06061	6.1
174.03204	19.4
174.06828	12.4
175.03903	2.6
175.07649	10.8
185.06081	1.8
186.06837	4.1
187.03970	5.8
187.07599	3.8
188.04784	47.3
189.05548	16.3
189.09189	3.9
190.06262	2.5
196.05264	2.0
199.07582	5.4
201.05492	10.4
201.09016	1.5
202.06274	11.7
203.03409	1.3
203.07132	25.0
203.08942	2.5
204.07907	9.8
213.05589	2.9
214.06392	10.2
215.06804	3.1
215.10785	2.1
217.08676	100.0
218.08974	10.0
219.10185	2.1
225.09267	3.3
227.07104	1.5
232.07196	3.1
241.08807	2.2
243.10236	22.8
244.10617	1.3
252.05307	1.5
259.09683	6.5
261.11304	22.3
262.11682	3.3
269.08200	1.9
287.09268	5.9
305.10944	2.3
313.07028	3.4
331.08163	6.3
349.09232	27.3
350.09854	3.0
372.67358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41923	0.8
52.73244	0.7
59.01369	3.5
69.42397	5.1
87.00873	100.0
87.04507	1.0
88.01196	1.7
89.04017	0.9
97.06586	1.7
98.20621	1.5
109.02905	1.0
117.03464	7.5
121.02973	2.8
122.03720	1.9
129.03419	0.8
130.99846	2.6
135.04515	4.6
137.02449	1.0
141.15826	0.9
145.02951	39.4
146.03773	13.3
147.04523	8.1
148.05287	1.1
149.06059	4.3
159.04492	7.2
161.02429	2.3
161.06175	0.9
162.03200	5.3
163.04010	6.6
164.04779	3.8
173.06053	2.5
174.03220	1.4
174.06729	0.7
175.04080	1.0
185.06105	0.8
187.04018	2.3
188.04755	3.9
189.01917	4.0
189.05502	1.9
189.09233	5.7
190.02623	2.8
191.10690	1.1
193.05138	1.7
199.07715	2.5
201.05685	1.9
201.09244	1.9
203.07111	1.7
204.07840	0.9
207.02968	1.3
208.03581	0.9
210.84315	0.9
215.07042	0.9
215.10713	2.2
217.08688	12.3
217.12215	1.7
218.09111	1.4
220.07159	1.0
225.09181	0.8
233.11798	3.5
243.10255	14.3
244.10437	1.1
259.09686	2.6
261.11313	8.5
262.11624	1.0
305.10501	1.4
317.03244	1.0
331.08124	1.3
349.09241	9.0
350.09625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2223
Annotation	3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione
Peak:m/z	Relative Intensity
53.90587	0.3
55.37860	0.3
57.03449	0.7
59.01379	9.3
59.53978	0.3
69.03434	0.3
69.86012	1.4
71.01368	0.9
72.02173	2.1
83.05036	0.6
98.19913	0.4
107.67983	0.3
130.03838	0.3
219.17505	0.6
241.25356	0.3
259.20535	1.9
261.22205	34.2
262.22543	4.3
277.99509	0.3
285.22220	1.3
287.20123	0.4
303.19809	0.7
303.23291	12.7
304.23535	1.8
305.21194	33.4
306.21539	4.0
346.44562	0.3
347.22220	100.0
348.22568	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	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98537	0.2
69.97586	0.6
83.20576	0.2
119.90561	0.2
162.98454	2.3
164.96353	0.4
204.00053	0.3
205.00140	0.6
205.99777	0.7
206.97441	76.4
207.97554	6.9
262.04022	0.2
348.98624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.7
63.01701	1.0
67.58208	0.9
69.03443	1.7
69.74431	3.6
69.74821	2.2
70.10452	0.9
71.01368	5.3
73.92656	1.1
78.71174	1.0
85.02942	2.1
89.02438	5.2
92.02345	1.2
94.07972	1.0
97.06607	5.0
98.19930	1.2
101.02430	3.8
113.02447	2.7
121.02946	2.4
122.03745	1.3
123.04475	2.1
130.90678	1.2
135.04378	1.0
138.33600	1.2
142.63991	1.2
146.03705	4.5
147.04500	2.5
148.83823	1.1
149.06042	2.2
159.04512	7.7
160.05241	1.9
161.05997	2.9
163.04036	6.3
163.07614	1.2
164.04825	5.8
164.07069	1.4
173.02390	1.8
174.03105	2.6
174.06845	9.4
175.04015	2.2
175.07655	6.5
186.06821	2.2
187.07509	2.0
188.03122	2.1
188.04778	38.2
189.05521	15.8
189.09142	2.8
196.05142	1.2
199.03894	1.2
199.07755	1.3
201.09023	1.2
203.07114	7.1
204.07887	10.6
205.08600	1.3
214.06294	8.6
217.08667	100.0
218.08968	8.4
219.10323	1.6
225.09183	2.5
232.07367	4.5
233.08014	1.1
243.10245	15.1
244.10506	2.4
261.11261	22.3
262.11591	3.2
268.02991	1.0
287.09412	2.3
316.24896	1.1
349.10049	3.7
349.18628	4.9
363.07474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21783	2.0
57.03433	6.5
59.01387	13.0
67.01869	3.6
71.01383	38.1
71.32091	2.2
71.32429	3.0
72.99309	2.7
73.02952	15.3
75.00851	2.4
83.01379	9.8
85.02928	12.4
87.00867	5.5
89.02454	11.7
90.03194	1.9
93.03458	37.2
99.00876	40.8
99.04514	3.9
101.02418	8.4
111.00874	10.8
111.04517	13.8
112.98804	67.3
115.00372	4.9
124.98784	5.5
129.01949	14.4
131.03461	4.2
136.97606	1.8
137.02420	11.2
142.35252	2.2
142.98720	3.7
142.99855	71.8
143.03510	4.3
144.00209	1.9
145.01462	4.3
149.04562	12.3
150.67920	2.0
155.03490	6.2
172.99464	4.0
173.00920	54.7
173.04533	100.0
174.01332	2.6
174.04860	3.9
191.05618	3.3
261.04974	2.2
298.89706	2.2
311.09952	4.4
347.03763	2.7
347.09674	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	347.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
59.01378	100.0
61.98814	1.5
69.79158	3.6
71.01373	7.8
73.02910	2.3
73.63529	1.1
75.44442	1.0
83.01370	1.7
85.02952	2.4
89.02450	1.5
89.60587	0.9
97.02917	1.4
101.02464	3.3
113.02456	3.4
125.02444	53.4
126.02775	2.6
138.70509	1.2
143.03368	1.5
161.04533	9.5
164.78047	1.0
167.28189	1.1
173.04430	1.9
285.12350	1.2
301.95779	1.1
343.78787	1.0
348.12830	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	347.1246
Annotation	Achillamide
Peak:m/z	Relative Intensity
59.01371	6.4
62.87221	1.3
69.44294	8.2
69.44704	2.0
71.01377	2.6
79.05560	1.6
83.05015	1.4
84.04550	1.7
85.02950	2.5
89.02437	1.8
95.05001	5.7
97.01641	1.5
98.19901	2.7
99.04492	4.0
101.02432	1.9
106.51440	1.4
107.03730	2.4
110.06110	75.3
111.06435	2.9
111.08122	2.7
116.05063	17.9
118.06644	9.6
122.06113	83.8
123.06475	2.2
144.04538	73.2
145.04886	2.9
146.06084	1.9
147.03188	2.4
147.04446	1.7
161.04691	1.9
162.05597	49.8
163.06297	6.9
164.07076	1.7
167.03038	1.5
173.04488	2.8
173.08170	5.2
187.03925	1.5
188.03424	8.9
191.05737	1.8
195.05328	3.4
199.09737	3.8
227.10803	2.1
230.11833	1.9
255.11345	16.7
256.11667	1.7
257.13065	1.7
259.09744	1.5
260.12747	1.4
263.39752	1.5
267.11340	50.2
268.11761	7.8
273.12457	13.4
279.06332	1.7
285.12421	100.0
286.12787	9.5
303.13461	22.6
304.13776	3.0
309.59970	1.3
311.10397	2.1
329.11337	4.4
347.12601	14.7
347.60583	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37323	0.2
52.30242	0.2
59.01376	6.1
60.01724	0.5
61.98827	100.0
67.22952	0.2
69.77310	1.3
76.35874	0.2
77.66352	0.2
102.59919	0.2
105.84193	0.2
201.02547	0.9
202.02704	2.1
203.02275	2.7
203.99976	48.5
205.00089	4.9
248.51627	0.2
346.01013	1.2
347.01041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94545	2.5
58.80600	2.2
59.01350	4.9
61.98828	100.0
64.77173	2.8
76.73642	2.7
87.00866	2.5
94.39053	2.5
98.20689	5.8
99.00880	3.1
101.02482	2.8
116.49556	2.8
120.44630	2.3
129.21228	2.3
212.13695	2.8
212.32736	2.5
223.13950	3.0
229.09384	2.8
248.40829	2.4
291.19687	4.6
292.19968	5.4
339.75034	2.5
342.75729	3.4
361.99292	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03434	5.6
57.03724	1.0
59.01376	12.8
64.56457	1.2
67.01885	5.2
68.99799	1.6
69.80107	1.1
71.01384	32.4
71.53389	2.1
72.99299	3.1
73.02943	11.9
78.95911	2.4
83.01379	6.0
83.05015	2.8
85.02940	11.2
87.00869	5.1
87.68440	1.2
89.02448	8.6
93.03456	41.1
94.03829	1.9
96.99300	1.6
99.00877	28.6
99.04517	3.4
101.02443	5.1
107.18049	1.1
111.00883	12.0
111.04505	13.7
112.73991	1.2
112.98811	59.3
114.68362	1.2
115.00379	4.7
124.98808	3.8
125.02457	2.4
129.01935	11.9
137.02443	9.2
140.98177	1.6
142.99858	71.9
143.03502	2.7
144.00157	2.7
145.01414	4.0
149.04585	9.6
155.03503	7.6
173.00912	43.9
173.04541	100.0
174.01213	2.9
174.04836	3.0
175.02458	2.5
191.05656	3.4
251.07767	1.7
311.10144	1.4
311.63736	1.5
327.08707	1.4
347.03790	2.4
347.10419	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01368	4.3
63.14903	0.8
66.24980	0.8
69.16590	3.5
69.17016	3.9
71.01376	0.8
75.00872	1.1
85.02942	1.4
87.69848	0.8
93.03478	2.8
95.03774	2.0
96.31849	0.9
98.19896	1.2
104.05042	1.6
106.06631	3.8
108.04546	0.9
112.40340	0.8
116.22867	0.8
116.23708	0.9
122.06125	2.2
124.07698	5.4
132.04552	36.4
133.05338	22.2
134.06169	4.3
135.06462	0.9
148.04012	2.4
150.05582	1.6
165.04289	21.2
173.04544	6.6
176.03543	0.7
176.07184	1.1
177.04327	5.2
178.05098	2.2
185.69270	0.7
186.09258	3.9
191.05597	1.3
198.09306	1.1
209.03268	5.8
213.06671	3.1
214.12329	6.8
215.11847	5.6
229.09756	3.7
240.10448	1.4
241.09787	2.2
249.06140	1.1
255.11514	0.9
257.12936	20.3
258.09186	1.6
258.13229	2.1
268.08447	1.0
283.10867	8.2
284.11185	1.4
301.11896	16.4
302.12408	1.9
327.09769	2.5
345.10883	100.0
346.11185	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	345.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.3
70.71860	2.4
93.03455	2.2
95.03745	1.8
96.04546	0.9
106.06611	3.0
108.04556	1.5
108.23182	0.9
109.23402	0.8
113.02458	1.6
122.06113	3.6
124.07681	7.9
132.04559	35.1
133.05357	19.9
134.06184	5.5
148.04077	1.9
150.05597	1.5
153.83617	1.1
165.04309	19.8
166.04610	1.0
173.04578	4.3
177.04308	4.3
178.04987	1.4
184.07729	1.8
186.09203	3.4
191.05597	2.5
198.09181	1.5
209.03279	4.4
213.06609	3.0
214.12411	7.5
215.11812	6.2
225.06700	1.3
226.07439	1.4
229.09827	3.3
239.08434	1.3
241.09760	3.1
249.06161	1.7
255.11362	1.2
257.12949	22.0
258.09378	1.4
258.13257	1.9
283.10910	8.7
301.11902	16.4
302.12308	2.2
327.09723	1.3
345.10886	100.0
346.11304	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35849	0.7
57.03436	0.8
57.87192	0.6
59.01377	4.0
70.06017	1.8
71.01361	1.6
71.34407	0.7
72.99304	1.0
73.43497	0.7
75.00465	0.9
75.00865	8.9
89.02436	1.8
93.03477	0.8
93.11545	0.7
106.53516	0.7
111.08104	1.5
117.01934	1.1
135.02989	42.4
136.03345	1.3
145.02959	1.2
164.98315	0.8
165.11424	1.3
165.12825	25.9
166.13171	2.1
173.04512	1.5
183.13884	100.0
184.14224	7.2
190.19353	0.7
209.11800	1.4
227.12866	78.5
228.13190	6.5
303.21567	2.0
330.03809	0.9
345.15549	24.6
345.22366	1.1
345.26553	4.5
346.15887	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.72629	0.3
57.03426	0.7
59.01363	1.3
60.93079	0.3
61.34824	0.4
69.03442	1.3
69.96426	1.0
71.24076	0.4
73.45776	0.4
75.88152	0.4
83.05013	1.2
96.12537	0.4
97.06561	0.7
98.20576	0.4
99.08156	8.0
108.83569	0.3
115.98613	0.4
121.02991	0.6
121.10229	2.5
125.09731	1.8
127.11255	1.2
137.09702	1.1
139.11270	0.7
147.41252	0.3
149.13324	0.7
151.16385	0.4
156.20969	0.3
165.12819	0.9
171.10265	18.0
172.10576	0.9
175.11230	0.8
193.12335	14.6
194.12703	1.1
197.15431	0.9
211.13399	2.3
225.14960	18.3
226.02588	0.4
226.15295	1.2
243.16016	6.4
279.43799	0.5
289.18024	4.1
290.18542	0.5
293.21268	2.3
298.01230	0.7
313.03488	1.8
325.23871	0.7
328.05914	1.0
343.08542	1.7
343.24857	100.0
344.25195	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.98229	0.3
56.95115	0.3
57.03439	0.5
59.01374	0.4
69.97038	1.5
82.99847	0.3
96.72761	0.3
97.53648	0.3
98.20687	0.4
99.08137	0.5
113.09727	0.5
121.10225	9.8
122.10525	0.7
125.09692	1.3
125.63397	0.3
127.11261	2.0
137.09708	2.3
139.11327	2.0
140.90987	0.3
150.06197	0.3
153.09248	0.6
153.12854	0.4
157.28368	0.4
163.87848	0.4
165.09177	0.6
171.10258	59.2
172.10591	3.2
198.03200	0.6
214.02521	0.4
226.02716	0.4
231.60742	0.4
256.81723	0.4
293.21130	1.3
298.01151	1.2
313.03455	2.0
328.05875	1.6
343.08408	2.8
343.24850	100.0
344.25186	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22976	0.9
57.10555	0.7
59.01369	2.3
59.10820	0.9
63.19815	0.8
69.03447	1.2
69.77019	0.8
70.96286	2.1
77.45280	0.9
83.04998	1.2
99.08127	6.4
121.10244	2.4
125.09748	1.0
125.36862	0.9
127.11297	0.8
137.09666	1.2
161.49271	0.9
171.10260	21.5
193.12305	11.0
211.13342	2.5
225.14911	16.0
226.02614	1.2
226.15332	2.5
237.56459	1.0
243.16002	5.6
270.01718	1.1
293.21216	2.4
298.01166	3.1
313.03531	5.1
328.05859	2.3
343.08313	5.9
343.24857	100.0
344.25195	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	344.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71399	0.6
56.37038	0.6
56.48000	0.7
59.01374	19.1
59.70428	0.8
60.01691	1.3
61.98826	100.0
71.01368	7.7
71.52577	0.9
73.02954	0.8
78.95919	1.3
85.02977	1.3
87.00883	2.5
89.02446	6.7
92.05058	1.3
99.00875	1.7
101.02442	5.0
101.15961	0.8
108.04548	1.1
113.02465	2.3
118.60149	0.6
119.03510	2.1
120.04515	3.5
122.06126	1.6
123.00874	1.5
123.04746	0.9
136.04077	1.5
138.05618	6.4
139.04012	1.3
147.06621	1.3
150.04265	0.8
164.03505	11.0
171.06686	2.4
173.04591	1.4
178.69760	0.8
183.94389	0.8
201.02559	5.5
202.02684	4.2
203.02390	2.3
208.85049	1.1
213.85139	0.7
300.10922	2.9
343.99448	1.7
344.03696	1.0
344.09787	18.1
344.12997	1.7
345.10687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54755	0.6
70.88642	1.3
83.58130	0.6
84.99535	0.6
85.70720	0.6
90.27824	0.7
91.85285	0.6
97.91928	0.6
111.27471	0.6
122.03426	0.6
132.01892	0.7
160.01619	2.9
198.03235	3.2
200.01045	1.0
202.02623	5.7
226.02711	19.9
227.03113	2.4
229.04881	0.8
242.02280	2.3
257.04572	1.5
270.01611	6.9
281.04501	2.4
282.05167	1.3
283.02408	1.0
284.03284	3.1
285.04025	38.8
286.04425	2.9
297.04089	1.1
299.05478	5.0
309.03943	4.4
313.03513	78.1
314.03897	8.8
327.05063	10.4
328.05826	24.5
329.06314	3.3
343.08185	100.0
343.23981	2.4
344.08548	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	343.1032
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
55.10877	0.7
58.00585	1.8
59.01376	35.9
61.98812	1.8
62.36275	0.7
64.87083	0.8
69.90776	0.9
70.17471	0.8
70.74664	1.2
70.75015	1.7
71.01381	22.5
72.99287	1.7
73.02941	1.7
79.38674	0.7
80.32953	0.8
83.01394	1.6
85.02940	4.6
87.00861	1.9
89.02445	21.3
93.03449	2.4
95.01369	2.8
99.00869	1.1
101.02441	10.4
109.02905	1.2
111.04496	1.1
113.02451	7.4
119.03496	7.3
119.05023	81.1
120.05381	4.4
121.02943	4.2
123.00885	17.6
123.04485	2.0
124.01698	5.8
125.06028	0.9
131.03514	1.0
133.03044	0.7
135.04475	1.0
137.02422	1.1
137.06091	1.2
138.03227	8.7
139.04004	9.4
143.03523	0.9
148.05174	0.7
161.04558	0.8
163.04002	100.0
164.04359	5.3
167.03551	1.3
168.03839	0.9
173.04526	2.3
179.03444	1.6
179.05606	1.9
181.01428	0.9
181.05165	4.0
181.27675	0.9
253.07153	2.8
343.10519	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08580	0.4
59.01379	9.8
59.01657	0.6
59.29313	0.4
61.98796	0.7
67.01837	0.5
69.03423	1.0
71.00386	0.5
71.01380	3.5
72.99270	0.4
73.02911	1.0
79.01868	0.4
81.03415	0.7
82.91286	0.4
83.01363	0.7
85.02917	1.4
87.00840	1.5
89.02421	1.0
93.03422	0.8
95.00818	0.6
95.01381	6.4
95.04967	0.4
97.02938	0.6
99.00835	0.6
101.02421	1.7
108.02146	1.2
109.02947	2.0
111.00867	1.0
113.02434	1.3
121.02941	3.8
122.03716	0.9
123.00880	100.0
123.04501	1.4
124.01680	45.0
125.02043	1.4
125.06067	0.6
135.04503	1.3
136.01627	0.6
137.02464	1.5
137.06073	4.1
138.03223	51.3
139.04015	55.9
140.04329	2.5
149.02469	1.4
150.03195	0.5
151.04016	2.2
159.02974	0.4
161.04585	1.7
163.04062	1.4
165.01974	0.7
166.02733	1.9
169.01511	1.0
169.08838	0.5
173.04517	2.6
178.02824	0.8
181.05072	8.7
182.05421	0.6
191.05675	1.6
193.05159	1.2
198.40419	0.5
203.05620	0.6
283.08511	1.2
343.10242	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	343.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05730	0.4
59.01353	0.5
69.38536	2.9
71.01315	0.5
79.99046	0.9
93.03410	1.2
103.91441	0.5
117.03457	1.0
129.82701	0.4
130.04198	0.8
132.02124	1.1
132.06812	1.6
142.04190	2.0
145.02966	0.8
154.04147	0.6
158.03716	3.5
161.02354	0.9
169.02971	0.5
170.03705	2.6
170.69862	0.5
171.10292	2.4
174.03220	0.5
185.02426	9.6
186.03224	4.8
193.01353	1.4
197.02390	1.9
198.03209	3.7
210.03113	0.6
213.01904	1.7
214.00633	0.8
214.02716	11.3
214.50626	0.5
215.03032	1.0
226.02690	6.2
230.02216	0.5
241.01450	1.4
241.05035	1.2
242.02179	6.0
253.01399	0.6
254.02147	2.0
257.10236	2.5
259.02383	0.6
269.04535	1.3
270.01678	19.0
271.02026	1.7
285.03958	1.4
297.03934	1.0
298.01166	100.0
299.01514	9.4
313.03519	94.5
314.03839	9.1
328.05859	82.2
329.06171	9.0
342.23444	0.5
343.08212	32.3
343.21146	3.3
344.08508	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	343.082
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01391	0.8
61.98827	0.8
69.85509	1.0
69.85907	1.5
81.88794	0.5
96.96095	0.5
112.15033	0.5
137.37253	0.5
148.01669	0.6
151.00319	0.8
173.06081	0.8
185.02373	0.8
198.03204	1.9
199.03783	0.6
201.01962	1.2
202.02652	1.2
203.03369	0.8
213.01910	1.4
214.02675	1.2
217.04909	0.5
226.02708	4.0
227.03453	0.9
227.07082	0.7
229.01404	1.5
230.02151	1.2
242.02127	2.5
245.04564	1.8
253.01433	2.4
254.02039	1.0
268.03748	0.5
270.01663	14.1
271.01968	1.1
281.00830	1.2
283.02350	0.7
284.03198	1.2
285.04016	18.2
286.04440	1.6
297.00610	1.0
297.04056	1.6
298.01132	1.8
299.05643	2.3
311.05759	0.8
312.02795	1.5
313.03506	100.0
314.03845	11.3
327.05078	6.5
328.02182	2.0
328.05759	13.9
329.06088	1.8
343.08182	93.1
344.08524	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	343.0454
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
59.01374	4.0
61.98804	0.9
67.47122	0.8
71.54346	1.0
76.28995	0.8
84.52648	0.8
86.04693	0.8
87.00878	1.4
91.84367	0.8
117.66264	0.8
119.01376	1.1
119.49445	0.8
121.02936	1.3
132.02162	11.9
135.00873	1.0
135.72304	0.8
137.02341	0.9
143.05115	1.0
149.99564	0.8
156.05856	0.9
161.02388	0.9
163.00343	7.6
165.92570	0.8
171.04495	1.2
171.10275	0.9
183.04507	2.5
184.05283	2.7
187.03903	1.1
190.99844	34.4
192.00204	2.0
198.03304	1.1
199.03935	1.2
200.04663	1.0
210.03214	2.1
211.03983	2.5
212.04880	0.9
214.02625	1.4
226.02655	1.3
227.03456	2.6
227.07048	1.3
228.04135	1.4
239.03458	5.5
240.04277	10.8
241.04742	0.9
254.02034	1.3
255.02985	7.1
256.03677	2.6
267.02884	4.9
283.02454	26.1
284.03217	77.6
285.03525	7.3
298.01239	1.1
299.01932	4.1
299.05569	16.8
300.02579	1.0
300.06024	1.4
310.01190	2.8
313.03473	3.5
325.14444	1.2
328.02228	15.9
328.05920	2.3
329.02502	1.9
343.04532	100.0
343.07980	3.8
343.15729	3.1
343.21030	3.7
343.24814	1.8
344.04922	10.0
362.27905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0811
Annotation	Obtusin
Peak:m/z	Relative Intensity
71.54009	0.5
71.54379	0.6
80.95237	0.5
88.16617	0.6
89.37566	0.5
93.03461	3.2
108.02120	1.0
117.03423	1.8
130.04208	1.0
132.02138	3.1
141.03424	1.0
142.04243	6.6
145.02888	2.1
148.98723	0.9
149.99489	1.2
154.04222	0.9
157.02934	0.6
158.03654	2.1
169.02864	0.8
170.02397	0.6
170.03732	6.9
173.02309	0.6
175.97475	0.6
176.98219	1.7
177.98972	0.7
182.03586	0.9
185.02411	1.2
185.06075	0.6
186.03220	6.9
193.01465	4.1
197.02417	4.4
198.03209	11.8
199.03532	0.8
204.97675	2.0
210.03195	1.1
211.04041	0.9
213.01915	3.5
213.05420	0.7
214.02701	23.5
215.02989	1.3
220.00392	0.6
225.02010	0.8
226.00461	1.1
226.02707	19.7
227.03027	1.5
230.02150	1.3
237.01683	0.5
241.01315	1.5
241.05087	4.6
242.02164	7.0
243.02530	0.8
253.01460	1.9
254.02202	7.7
255.02585	1.0
255.15105	0.5
259.02414	1.3
269.04556	5.1
270.01694	11.4
271.01843	0.8
281.00916	1.4
282.01703	1.2
285.04062	4.0
295.02347	0.6
296.03275	1.4
297.03958	1.9
298.01166	64.1
299.01520	5.9
311.05591	2.2
312.02805	0.6
313.03519	88.0
314.03940	9.2
327.05078	1.2
328.05862	54.6
329.06137	5.2
343.08203	100.0
344.08545	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0819
Annotation	Araneol
Peak:m/z	Relative Intensity
61.55212	0.5
71.30615	1.0
81.88816	0.5
93.03445	3.1
102.27697	0.5
104.06496	0.4
108.02177	0.8
109.45196	0.5
112.78397	0.6
117.03464	1.5
121.02872	0.6
129.03461	0.6
130.04240	1.0
132.02182	2.2
141.03493	1.1
142.04227	5.9
145.02914	1.4
148.98720	0.7
149.99590	1.6
157.02855	0.8
158.03670	1.4
167.05006	0.5
169.02863	0.8
170.03711	6.3
171.04146	1.0
176.98346	1.2
177.99043	1.4
182.03688	0.8
185.02457	1.0
186.03218	6.4
187.03601	0.8
190.99835	0.7
192.00490	0.5
193.01410	4.1
193.12315	1.0
193.55066	0.5
197.02477	3.6
198.03197	12.0
199.03598	1.0
202.02809	0.7
204.97739	1.5
210.03180	1.1
211.04071	0.7
212.04619	0.7
213.01950	2.5
213.05457	0.8
214.02676	24.1
214.93428	0.6
215.03033	1.7
218.99376	0.8
225.01927	1.9
225.14912	1.5
225.99232	0.8
226.02693	21.3
227.03076	1.8
230.02148	0.7
239.03458	0.6
241.01303	1.5
241.05051	4.6
242.02185	7.4
243.02640	0.7
253.01375	1.3
254.02165	7.5
255.02794	0.7
259.02536	1.3
269.01810	0.8
269.04517	5.0
270.01666	11.0
271.02234	0.9
281.00903	1.1
285.04016	3.6
295.02365	0.7
296.03177	1.5
297.03986	1.0
298.01151	58.9
299.01501	5.8
311.05737	1.8
312.02707	0.9
313.03510	89.8
314.03885	9.5
327.05148	1.3
328.05838	53.6
329.06125	5.1
341.45364	0.5
343.08176	100.0
343.24652	6.2
344.08530	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	341.3059
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
53.12685	1.2
53.86327	1.1
59.01354	2.9
61.98800	2.1
71.05019	24.7
71.53159	1.4
73.02972	1.8
83.05016	1.6
93.91118	1.1
99.76155	1.2
185.00905	1.7
192.73367	1.4
198.09804	1.4
203.12222	1.2
232.67241	1.2
247.44003	1.4
267.26907	3.8
279.27100	1.4
281.28491	30.2
282.28815	2.7
323.29532	11.3
324.29831	1.9
341.20007	6.9
341.30573	100.0
342.30908	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	342.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10692	0.4
69.64436	2.8
74.00700	0.6
77.80715	0.4
90.75230	0.4
92.61649	0.5
111.02753	0.6
115.12104	0.5
116.01772	3.5
122.03709	0.8
126.05096	1.1
137.37029	0.5
138.01456	1.6
142.00917	4.5
152.02968	2.4
156.40794	0.5
162.02327	0.9
169.10551	35.6
170.10873	1.9
179.10774	12.5
180.11009	0.7
195.08470	33.3
196.08788	1.9
213.09534	100.0
214.09856	7.3
227.07161	0.7
320.20712	0.5
342.14337	2.1
342.17804	0.5
343.21359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84425	0.9
57.92655	0.9
59.01366	4.0
59.14745	0.9
59.98878	1.2
60.59170	1.0
61.98820	2.3
71.02357	0.8
71.38381	1.6
73.01172	19.1
73.02850	1.0
80.07969	0.9
84.04536	3.8
87.00870	2.1
89.02493	1.3
129.32547	1.1
136.96539	1.0
137.02452	1.3
169.10559	100.0
170.10909	6.2
185.11784	1.3
256.13757	3.8
298.01138	1.2
298.14825	7.2
299.15143	1.1
301.21973	1.1
313.03488	1.9
328.05988	1.0
342.10776	2.3
342.14352	2.5
343.08304	1.4
343.15451	1.8
343.24826	3.3
363.04813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91396	0.8
59.01373	1.3
68.99818	2.2
69.34985	1.7
69.35389	6.0
80.84556	0.9
91.01945	0.9
99.00862	4.2
104.02676	6.4
112.23303	1.0
116.02673	2.5
119.01370	4.4
127.00378	6.7
127.01895	3.1
128.02672	29.7
129.03508	1.8
132.02164	4.2
133.02928	1.5
141.03455	1.8
143.01331	4.7
143.05020	2.0
144.02176	2.5
145.02933	2.1
147.04439	1.8
154.99861	4.3
155.01234	1.4
156.02164	24.5
157.02795	3.0
159.00810	1.6
159.04517	1.3
160.01706	2.8
161.02434	1.0
169.02928	1.5
171.00864	3.0
171.04465	2.3
172.01669	7.5
173.02399	2.2
183.00917	1.9
184.01654	35.6
185.02376	8.9
187.00363	2.6
187.04015	1.3
196.01630	1.3
199.00284	4.9
200.01135	55.9
201.01886	7.8
202.02660	2.0
203.03568	1.4
210.98784	1.4
212.01129	3.1
213.01895	4.2
214.02695	1.5
214.99915	1.0
215.03549	2.0
216.00572	1.2
219.03011	2.0
226.02798	1.4
226.99927	6.4
227.03697	1.7
228.00621	33.9
229.01340	9.2
231.02992	2.6
238.99812	1.8
240.00572	1.9
241.01460	2.6
242.02042	1.2
243.02974	9.9
247.02504	1.2
254.99391	1.2
256.00089	5.2
257.00989	2.6
259.02493	5.8
270.01669	1.4
271.02335	4.9
285.00363	8.3
287.01968	10.1
298.01212	11.9
299.01431	1.8
300.02744	3.5
313.00076	1.8
313.03412	12.4
315.01453	75.1
315.04724	3.4
316.01804	7.7
328.02182	8.9
328.05884	10.7
343.00922	100.0
343.04590	12.1
343.08185	6.3
343.21140	4.6
344.01276	11.2
344.04901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67835	0.4
59.01366	1.1
69.03458	2.4
69.41792	1.2
69.42202	2.4
83.05054	1.1
84.02160	3.1
95.04935	0.6
97.02944	1.5
97.06588	11.8
97.36478	0.5
99.04505	1.3
103.46473	0.4
119.08667	0.6
124.99888	0.5
125.09694	1.8
137.09773	1.0
148.52414	0.4
151.11230	0.6
165.12848	0.8
171.10252	13.9
172.10722	0.6
175.11165	0.9
177.12744	0.6
185.11839	1.1
193.12328	16.6
194.12634	1.2
197.15356	0.5
211.13403	3.8
221.11867	1.4
225.14938	20.1
226.15286	1.0
243.15997	6.9
244.16473	0.7
253.14429	1.0
291.19592	2.0
323.22342	0.6
341.23288	100.0
342.23627	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90025	0.4
54.09880	0.4
57.21011	0.4
59.01380	1.3
64.25793	0.4
69.03468	1.3
69.26521	1.2
69.26943	2.8
69.51286	0.4
71.01373	0.7
84.02161	20.2
87.00871	0.5
89.02486	0.6
89.73874	0.4
97.02948	7.2
97.06594	1.6
99.04520	3.8
116.06320	0.4
119.08668	2.0
125.09696	1.0
127.11304	1.5
135.08165	1.8
137.09712	1.5
153.09203	0.6
161.02339	0.5
168.98752	0.4
171.10268	55.5
172.10646	3.5
193.12280	2.0
205.84207	0.4
210.72443	0.5
221.11728	0.5
225.14969	2.8
232.74261	0.5
239.12831	0.5
243.16077	1.2
253.14467	1.1
291.19601	1.9
341.23288	100.0
342.23605	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.54545	0.9
57.03449	2.1
58.00581	4.2
59.01379	100.0
60.01705	1.3
69.86555	2.1
69.86957	3.3
71.01380	65.7
72.01739	1.0
72.99311	3.1
73.02949	3.4
83.01417	1.8
85.02951	8.1
85.97350	1.0
87.00883	5.4
89.02441	84.3
90.02788	1.5
95.01386	2.5
101.02443	31.2
113.02447	23.7
119.03500	29.3
131.03461	7.5
142.08952	0.9
143.03522	6.3
149.04544	34.6
161.04547	9.9
179.05603	33.8
191.05782	1.1
341.10883	47.4
342.11261	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99494	0.9
57.03443	4.6
59.01388	8.1
62.14759	1.0
67.01892	2.4
69.03444	5.1
69.19743	2.4
69.20146	8.1
70.00850	1.0
71.01383	3.1
71.05016	40.0
71.05417	1.9
81.03452	34.0
83.05021	26.1
84.02169	2.4
85.02969	1.3
87.00870	20.2
87.04479	1.3
89.02457	2.6
93.03500	2.1
95.05020	16.8
97.02939	7.8
97.06579	14.1
98.03754	1.7
98.06929	2.6
99.04515	44.2
99.08141	1.5
100.04868	1.7
106.04247	1.7
107.05023	1.5
108.02181	1.9
109.02961	6.6
109.03639	0.9
109.06590	8.8
110.03733	1.6
111.04506	12.4
113.05980	1.5
117.80697	1.0
119.04924	1.2
121.02966	2.0
121.06590	3.9
122.03709	2.9
123.04515	3.7
123.08165	3.1
125.09711	2.8
127.07694	1.7
127.11301	1.4
130.99869	5.1
133.06564	4.4
135.08142	2.3
136.05380	0.9
137.02457	2.9
137.06078	1.5
137.09694	1.4
139.03986	1.8
139.07680	1.1
141.12871	1.4
145.02931	1.1
146.03719	2.4
147.04527	10.4
147.08151	1.3
148.05330	2.6
149.06096	5.2
149.09724	1.0
151.07642	15.4
153.09200	3.1
155.10788	2.7
159.04465	1.4
161.06107	1.6
163.11359	1.8
165.09184	3.2
165.12892	1.5
166.13016	1.2
171.08084	2.4
171.10252	43.2
172.05269	2.1
172.10608	2.0
173.06082	4.4
175.07573	2.7
175.11259	2.6
185.06093	1.8
185.11812	2.6
187.07558	1.7
189.05566	2.0
189.12871	3.6
191.03467	3.1
191.14363	8.4
192.04321	3.2
193.05006	4.2
193.12331	20.0
194.12631	1.4
196.05272	2.9
197.06027	1.3
199.07660	4.1
199.13385	3.2
201.09154	1.5
202.06213	1.6
205.15984	2.3
207.13925	3.1
209.11769	3.0
209.15434	2.0
211.13452	5.3
214.06200	1.6
215.07083	4.4
215.10899	1.2
216.07507	1.0
217.12352	1.7
225.09146	5.4
226.12083	1.1
231.13818	1.4
233.11804	3.2
235.13373	49.8
236.13684	3.4
241.08582	1.2
243.06499	6.0
243.10216	2.8
243.17537	6.2
244.10956	2.2
249.14920	3.3
251.12704	1.3
253.14426	100.0
254.14717	7.6
287.16489	34.7
288.16772	3.8
305.17548	17.0
306.17715	1.6
323.18637	12.6
341.06647	1.8
341.13937	7.1
341.19629	13.3
341.23410	3.3
356.10355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.0
59.01393	7.0
65.59597	1.3
67.01859	1.8
68.42596	1.3
69.03452	3.9
69.27434	11.2
71.01381	3.1
71.05021	27.3
80.02680	1.9
81.03455	29.8
81.94080	1.3
83.05017	18.0
84.02161	2.2
87.00877	4.7
87.04520	2.7
89.02488	1.9
95.05017	11.2
97.02944	5.1
97.06590	8.0
99.03911	2.5
99.04517	32.6
108.37856	1.5
109.02952	3.1
109.06586	8.0
111.04518	7.1
121.06592	2.1
122.03731	1.8
123.04556	1.9
123.08144	2.3
125.09731	1.9
130.99844	2.2
133.06586	2.3
135.08124	3.1
145.06651	1.6
147.04521	3.8
149.06044	1.4
151.07640	10.4
153.09213	3.4
155.10727	2.6
165.09158	3.4
171.10271	35.0
172.10681	1.8
173.06036	3.1
175.11365	2.8
179.03444	1.4
185.11711	1.8
189.12758	2.8
191.14499	7.7
193.12335	17.5
199.07515	2.6
199.13248	2.1
205.16014	1.7
207.13776	3.0
211.13309	4.3
212.69505	1.6
217.12280	2.0
233.11862	2.4
235.13370	39.1
235.54671	1.2
236.13774	3.7
243.06676	2.3
243.17574	4.4
249.14847	2.7
251.12787	1.7
253.14435	100.0
254.14822	8.0
287.16467	24.0
288.16879	2.9
305.17529	12.4
323.18552	6.6
341.13840	6.1
341.19998	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.00596	0.4
59.01380	9.3
69.03487	0.4
69.46618	3.0
71.01377	6.4
72.99335	0.4
73.02952	0.9
75.00883	0.4
78.95886	0.4
85.02950	1.6
86.85091	0.4
87.00872	1.8
89.02447	6.0
91.05531	0.5
93.03468	3.6
96.96976	0.9
98.19870	0.7
101.02433	2.6
107.05056	1.1
108.02251	0.5
109.02962	1.0
111.00909	0.4
111.04523	1.0
113.02447	2.2
117.03490	0.8
119.03491	3.0
119.05021	0.6
121.06582	0.5
123.04528	1.8
133.02971	0.7
133.39790	0.4
134.03741	4.8
135.04521	100.0
136.04836	4.9
137.02467	1.3
137.06105	0.6
147.27390	0.4
149.06076	0.8
152.01164	0.4
161.02431	2.7
161.04558	1.0
163.04013	0.5
167.03484	2.0
173.04555	10.8
177.05585	1.0
179.03490	97.2
180.03830	5.3
193.05042	1.7
195.05032	0.8
221.04517	1.1
251.05574	1.6
252.05746	0.5
281.06668	3.1
281.09885	0.6
332.26328	0.4
341.08365	4.4
341.12222	1.3
342.09088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01116	3.3
59.01376	47.0
61.98803	2.1
62.72396	2.2
67.02741	2.2
69.03436	2.8
71.01374	20.9
71.23623	4.0
73.02966	2.7
83.01385	10.5
85.02922	4.3
86.30092	2.1
89.02448	26.5
93.03458	22.5
101.02438	15.0
104.55396	2.2
106.04223	2.3
113.02423	7.4
117.03416	4.9
119.03515	5.5
119.05031	25.3
121.06557	2.4
123.04518	4.6
131.05029	5.5
132.05756	4.9
133.02930	6.4
133.06604	100.0
134.03700	2.3
134.06905	7.2
135.04466	9.2
137.02444	2.4
143.04974	3.6
145.02945	4.4
145.06561	8.0
147.04532	36.0
148.05240	4.5
149.05119	1.9
149.06087	22.2
156.05771	4.5
157.06615	17.8
159.04465	3.7
160.04124	2.9
160.05298	34.9
161.02415	2.8
161.05960	6.9
163.07707	10.3
165.05559	4.2
167.03441	6.1
169.06595	3.1
173.04457	7.3
173.05974	4.9
175.03944	3.2
175.06308	3.3
175.07660	49.4
177.04114	2.9
177.05554	43.8
178.05809	4.0
179.03493	6.0
179.05557	8.3
187.07645	12.5
189.05563	23.5
191.07106	4.5
193.04964	8.0
201.05476	8.3
205.05063	20.5
207.06581	13.2
219.06662	12.0
221.04550	85.9
222.04836	5.1
223.06020	6.0
231.06546	2.2
235.09613	3.7
263.05634	15.8
279.08450	3.3
297.09592	2.9
322.87460	2.2
323.07663	18.4
324.07819	2.4
341.08609	75.7
342.08893	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
57.03435	6.0
59.01383	24.8
59.28291	3.1
61.98867	3.5
67.01871	4.6
69.03442	13.1
69.88952	14.9
71.05016	11.6
73.02963	3.0
74.88515	3.3
80.02676	3.3
81.03452	52.4
83.05023	32.0
85.02950	12.0
87.00865	7.8
89.62267	2.8
93.03463	5.4
95.01377	4.4
95.05032	13.2
96.06422	3.4
96.96001	6.3
97.02943	16.7
97.06569	16.6
99.04514	65.5
100.04854	3.8
101.22116	3.0
103.56300	3.3
107.05020	10.7
108.02154	11.8
109.02940	10.8
109.06586	11.9
111.04519	7.3
119.05052	3.8
121.02940	19.3
121.06545	8.7
122.03733	16.4
123.04541	8.4
123.08196	6.1
125.06097	4.0
125.09700	6.6
127.04002	4.7
131.05014	5.1
133.06578	3.3
135.04539	4.9
137.06056	19.4
137.44002	3.1
147.04530	4.4
148.05365	3.9
149.06100	25.1
153.09219	3.9
155.10680	3.4
165.12761	3.5
167.07106	14.0
171.10265	74.4
172.05312	3.2
172.10521	3.5
177.12878	4.5
178.06371	21.9
185.11819	6.2
187.07559	4.6
191.14427	11.0
193.12270	19.3
195.13889	4.3
197.06049	3.3
199.07489	3.6
199.09596	3.8
199.13411	12.2
205.12329	6.0
209.11790	7.6
210.04321	3.7
211.04083	4.2
211.13290	6.3
212.04784	4.5
213.09215	7.7
221.11589	4.6
226.06308	4.1
229.08649	4.3
235.13345	49.6
236.13661	4.9
239.12883	3.7
241.08769	25.0
242.09433	6.3
245.97414	3.7
247.13344	9.5
249.11298	16.0
250.11966	10.4
253.14441	100.0
254.14697	4.9
255.04022	9.9
259.17050	7.9
260.98801	3.3
265.14368	5.0
273.12448	3.0
285.14871	9.9
301.08527	2.9
301.14423	4.3
303.15903	35.2
321.13791	5.0
321.17117	52.7
322.17560	4.6
339.05090	4.0
339.12418	6.1
339.16064	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	339.1996
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
56.89246	0.3
63.75003	0.3
71.44877	0.3
72.84828	0.3
75.29663	0.4
79.95756	1.1
86.72743	0.3
96.91982	0.3
96.96030	0.5
98.95577	0.6
115.75256	0.3
119.05036	1.2
124.37630	0.3
170.00429	1.7
183.01193	46.8
184.01805	3.2
197.02769	3.1
198.03410	0.6
211.04303	0.5
212.04788	0.3
216.00885	0.9
225.05838	0.7
239.07489	0.8
275.23898	0.4
339.19952	100.0
340.20267	11.4
353.26599	0.3
357.86053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
52.30604	0.5
54.71368	0.5
65.82162	0.5
69.80340	2.4
83.97383	0.5
90.40168	0.5
101.30831	0.5
163.11276	84.1
164.11636	4.0
222.67302	0.5
266.05414	0.6
274.83032	0.5
339.23248	100.0
340.23590	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	341.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51168	1.1
53.05038	1.1
57.03440	1.6
59.01107	1.8
59.01377	19.4
59.61401	1.0
63.43492	1.1
65.22670	0.9
65.77936	1.3
67.01891	1.2
69.03450	4.4
71.01376	15.0
72.99311	1.7
73.02924	1.5
75.00864	15.9
85.02956	6.7
85.06565	1.7
87.00873	51.6
87.54481	1.3
88.01210	1.3
89.02446	12.3
93.03458	14.4
95.01375	1.6
101.02435	6.3
103.00358	19.6
104.54700	1.2
109.02937	1.4
111.04508	3.0
113.02437	4.1
117.09725	1.2
119.03483	4.6
119.05013	3.3
121.02930	3.3
121.06590	2.9
123.04523	8.1
131.04901	1.2
133.02953	26.1
135.04524	28.0
136.04820	1.3
137.02426	1.7
137.05984	1.2
139.03995	1.8
147.04510	5.3
148.05275	1.2
149.02435	6.7
149.06067	18.1
153.05518	1.2
155.03563	1.2
157.02864	1.4
159.04454	2.3
161.02432	100.0
161.04549	2.8
162.02766	6.9
163.03979	3.4
165.05548	3.7
165.09184	1.3
167.03517	7.1
173.04532	26.4
174.03178	2.2
174.04703	1.3
175.00209	1.3
175.02545	2.3
175.03986	35.6
176.01125	4.4
176.04311	1.4
177.01924	29.7
177.05553	5.0
178.02188	1.6
179.03490	38.2
179.05547	5.2
180.03859	1.8
191.03767	2.6
191.05591	28.6
191.10648	2.0
193.05043	14.0
195.05093	2.6
203.03511	13.0
209.04549	3.5
217.05093	3.4
219.03009	14.4
221.04553	2.3
235.03737	1.5
235.06079	26.1
236.06509	1.6
237.01765	2.0
237.04027	28.9
238.04396	2.9
247.02391	4.1
251.05560	1.8
279.04990	3.6
279.12424	1.7
281.03131	2.1
281.06808	1.5
281.10172	3.2
341.04562	1.1
341.08350	15.3
341.12576	9.7
342.08862	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	341.0662
Annotation	8-Hydroxygalangin 7-methyl ether 8-acetate
Peak:m/z	Relative Intensity
59.01353	2.7
61.98819	1.2
65.00312	1.2
71.01347	1.6
85.55878	0.6
87.28300	0.5
89.02430	1.7
90.11327	0.6
93.03436	1.0
97.06574	0.8
98.20748	1.5
99.00887	0.6
101.02408	0.7
103.19199	0.6
113.02426	0.7
115.73483	0.6
119.03470	0.7
132.02180	1.9
133.02924	1.3
134.00087	1.2
136.98798	3.1
141.03439	0.9
143.05013	4.1
155.05026	5.5
161.99620	3.2
163.00322	2.4
166.29677	0.5
167.05013	1.4
171.04478	2.2
173.05992	1.1
182.03690	1.0
183.04492	4.5
187.03995	0.6
195.04382	0.9
196.05077	0.6
199.03992	6.2
205.54550	0.6
211.03958	7.8
224.04683	1.0
225.05473	1.1
227.03485	21.1
228.03831	1.4
239.03471	7.3
240.04010	1.0
252.04277	1.5
253.05157	0.8
255.02974	24.1
256.03357	1.9
268.03809	3.2
269.04453	1.1
270.05194	0.7
279.02841	0.8
280.03726	4.7
281.04483	2.6
282.01797	1.5
283.02460	79.5
284.02792	7.9
296.03171	0.8
297.04083	4.9
298.04797	100.0
299.05182	9.2
309.04047	1.6
311.05536	0.7
312.06442	0.8
326.04257	2.1
341.06628	21.1
341.10339	1.0
341.17542	1.7
342.06879	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	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.86780	0.7
52.14909	0.6
55.01873	1.6
57.03440	1.3
58.00596	3.5
59.01379	100.0
60.01697	1.4
66.22505	0.7
69.57095	1.1
69.57507	2.3
71.01381	68.1
72.01731	1.0
72.99298	2.7
73.02953	2.5
83.01377	2.0
85.02946	8.5
86.55403	0.9
87.00873	5.1
87.31479	0.7
89.02442	91.6
90.02756	1.5
95.01405	4.3
99.00874	1.5
101.02438	33.0
102.02812	0.9
113.02444	26.8
119.03493	31.8
125.02447	1.2
126.05659	0.6
131.03479	5.9
134.07675	0.7
143.03496	7.9
149.03363	1.0
149.04558	16.6
150.04759	0.6
161.04561	8.4
166.51666	0.7
167.03497	2.5
174.66728	0.7
175.04008	0.7
179.05608	32.6
180.05977	1.4
239.52480	0.7
249.14523	0.7
296.17715	0.6
300.88110	0.7
336.15027	0.7
341.10880	48.2
342.11407	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	341.1085
Annotation	Sucrose
Peak:m/z	Relative Intensity
51.08955	0.6
55.01883	1.3
57.03452	1.2
58.00597	3.8
59.01377	100.0
60.01703	1.8
66.91259	0.6
69.35294	4.8
69.35616	1.1
71.01379	66.3
72.01720	2.3
72.99300	3.6
73.02936	2.4
73.57676	0.6
79.59382	0.6
83.01385	2.9
85.02953	10.0
87.00873	3.7
89.02441	84.4
90.02779	2.0
95.01404	2.9
101.02438	32.4
102.02785	0.9
107.03484	1.2
113.02447	25.5
115.57529	0.6
115.74654	0.5
119.03497	34.6
127.35073	0.7
131.03537	4.9
143.03494	8.4
149.04532	2.4
161.04572	10.8
179.05611	38.9
180.06007	1.1
293.53079	0.6
341.10870	53.1
342.11127	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	338.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91203	0.4
64.84373	0.5
68.36876	0.6
68.97298	0.4
70.79691	0.8
71.01368	1.1
83.97626	0.3
94.46081	0.4
95.05989	0.4
120.62356	0.4
126.05591	1.4
133.90305	0.4
142.05119	1.8
144.06657	100.0
145.07002	3.9
158.04596	0.6
233.63028	0.4
338.08054	1.1
339.07846	0.6
358.79349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
63.18555	0.6
69.34144	1.9
69.34564	2.4
71.01390	1.4
71.25568	0.5
77.48653	0.5
115.28878	0.6
126.05569	1.3
133.05074	1.8
142.05101	2.1
144.06659	100.0
145.07021	3.5
147.06670	0.9
158.04579	1.3
187.16551	0.5
207.09459	0.6
208.57022	0.5
241.87566	0.6
248.63182	0.6
338.38968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0716
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01380	2.0
65.00313	0.7
65.03958	1.2
67.01883	0.9
70.44642	0.8
70.44974	0.4
71.01385	0.5
80.02726	0.6
91.01893	50.0
92.02242	1.6
95.71986	0.4
96.96023	0.4
108.02191	0.9
109.02950	13.2
110.03251	0.4
121.02950	1.3
123.04532	0.9
133.02943	1.4
135.00882	100.0
136.01266	3.5
137.02434	2.9
145.02919	0.5
149.02446	1.5
153.01929	62.4
154.02293	2.6
155.98521	0.4
161.02434	1.5
163.03986	0.5
177.01910	1.7
182.15012	0.4
189.01886	1.5
207.02989	0.4
209.06001	0.4
279.05124	1.4
297.05951	0.7
339.07178	31.6
339.15933	1.7
340.07440	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	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
52.72268	0.6
59.01378	28.2
68.09333	0.7
68.99834	0.8
71.01388	3.6
71.22791	0.8
72.99307	1.7
73.02930	0.8
85.02944	2.4
87.00873	1.2
91.05531	1.1
93.03448	1.9
101.02414	2.0
103.05534	3.1
105.03439	2.9
109.02941	1.1
113.02494	1.0
117.03434	1.0
118.04185	0.8
119.05034	5.1
120.05400	1.0
121.06590	4.0
123.04534	1.4
131.03484	0.8
133.02954	1.6
135.00903	0.8
135.04535	2.6
137.06071	1.0
145.02924	1.0
146.03651	0.8
147.04520	8.0
149.02428	0.9
149.06123	0.8
160.04021	1.3
161.04527	1.2
163.04053	4.5
165.04416	1.0
165.05579	9.2
173.04488	1.6
175.00365	0.8
175.03944	1.3
176.01155	1.7
177.01907	11.3
178.02365	0.7
189.01918	6.8
190.02733	4.5
191.03493	66.7
192.03873	3.6
193.06078	0.9
201.01894	2.4
202.02254	1.2
203.03513	5.9
216.00667	1.1
217.01419	2.0
219.02968	100.0
220.03311	7.5
222.01691	3.2
231.02977	12.6
232.03265	1.1
249.04018	29.4
250.04471	2.5
261.04022	2.4
279.14484	3.8
339.07181	66.4
340.07462	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03446	0.3
59.01378	2.3
65.94241	0.2
66.49024	0.3
69.45250	1.7
70.39052	0.3
71.01395	2.0
73.02950	1.0
83.01382	0.8
85.02946	1.6
87.00883	0.5
89.02412	0.3
99.00867	0.4
101.02431	2.7
113.02422	1.0
117.03458	23.1
118.03796	1.1
119.05025	4.1
137.24498	0.3
145.02943	100.0
146.03278	5.2
146.84071	0.2
161.04597	0.5
163.03979	4.2
167.76910	0.3
193.07150	1.3
207.23285	0.3
339.10806	43.9
340.11133	4.4
360.14566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1083
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.40501	0.2
55.01875	0.4
57.03433	0.4
59.01382	2.5
69.27955	0.3
70.83855	0.5
71.01385	2.1
73.02946	1.0
83.01379	1.2
85.02965	1.8
87.00883	0.6
87.91301	0.2
93.03458	0.3
99.00879	0.6
101.02437	4.3
113.02476	0.9
117.03464	24.1
118.03783	1.4
119.05023	4.4
145.02951	100.0
146.03299	5.1
161.04507	0.5
163.04016	4.5
164.04370	0.3
190.36588	0.3
193.07167	1.1
269.24026	0.3
296.40436	0.3
339.10828	45.9
340.11182	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	337.0926
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03432	2.9
59.01377	11.4
59.01638	2.2
61.98834	2.7
67.01877	6.5
69.03461	2.6
69.25712	1.9
71.01366	5.7
71.54195	2.9
83.01395	1.6
83.04999	4.5
85.02959	4.4
87.00873	84.8
88.01218	2.2
93.03450	30.5
96.95985	2.2
98.03738	4.2
107.05035	6.2
108.02142	2.7
109.02945	4.6
110.07977	2.2
111.00865	2.1
111.04519	5.3
117.03468	1.9
119.05024	52.8
120.05363	4.3
121.02959	26.2
122.03735	7.4
123.04522	22.9
127.98623	1.7
130.99831	1.8
132.02168	4.0
133.02968	2.6
134.03732	8.2
135.04570	1.9
137.02452	10.5
145.02956	3.6
147.04507	20.8
148.05272	6.9
149.06064	29.7
152.81110	2.0
155.03508	4.4
159.04523	3.5
160.01662	18.6
161.02478	9.5
162.03229	2.3
163.04004	42.0
163.07689	3.8
164.04437	5.1
165.05571	4.7
173.04541	63.5
173.06007	2.6
174.03214	26.8
174.04738	3.6
175.03987	100.0
176.04631	8.3
177.01939	6.0
187.04004	7.4
187.07628	10.4
188.04822	4.1
189.05536	7.9
190.06346	2.8
191.03477	11.9
191.05301	1.9
192.04202	4.3
193.05055	34.1
194.05428	3.2
195.02962	1.9
200.04803	2.1
201.05486	4.6
203.03500	1.9
203.07130	13.9
204.04216	1.8
205.08679	44.1
213.09247	10.2
215.07085	13.3
216.04283	2.7
217.04962	2.2
219.02942	29.0
231.06691	10.6
231.10231	41.9
232.10628	4.1
233.08099	2.2
237.04007	52.2
238.04391	3.1
247.09734	3.1
249.04160	2.1
250.06580	22.5
250.56659	4.3
251.07091	2.6
254.04361	3.3
257.08026	2.1
259.06058	13.0
275.09244	24.9
276.09579	2.0
277.07141	7.9
319.08160	18.6
337.09296	73.2
338.04141	1.8
338.09637	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	337.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.14800	9.6
69.75751	29.1
69.76160	13.5
85.14971	10.1
86.81812	8.4
93.99664	8.5
96.95988	11.4
108.33692	8.9
183.01382	11.8
211.90237	9.8
227.82910	8.5
255.23203	13.2
337.18149	59.7
337.23834	71.0
338.18591	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
59.69799	0.5
61.84887	0.5
62.62089	0.4
70.28043	1.6
71.01385	1.0
80.66579	0.4
81.03486	0.5
83.05048	1.0
85.02939	2.8
87.00879	1.6
93.03455	3.8
100.38398	0.5
111.04506	2.4
113.02460	0.5
119.05021	58.4
120.05357	2.7
127.04020	0.9
127.53650	0.4
137.02408	0.5
147.83760	0.4
155.03497	2.5
160.02940	0.4
163.03998	100.0
164.04329	6.6
173.04530	6.2
191.05592	29.5
192.05890	1.2
201.74898	0.5
251.24699	0.6
283.74899	0.5
306.22830	0.5
337.09323	6.9
338.09525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.29979	0.5
59.01375	1.4
63.82493	0.5
71.01399	0.7
71.22440	1.0
74.86045	0.5
83.05034	1.1
85.02943	5.0
87.00883	0.9
93.03464	3.3
107.73837	0.5
110.89889	0.5
111.04510	2.1
119.05028	54.0
120.05376	2.7
127.04002	1.7
145.02959	0.7
155.03505	2.9
163.04010	100.0
164.04318	5.5
173.04529	5.3
177.75327	0.5
191.05611	43.5
192.05981	1.5
257.72339	0.5
327.05191	0.5
337.09317	8.0
338.09683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01867	0.9
57.03443	1.2
59.01379	19.1
68.99545	5.4
69.03448	0.8
71.01376	8.1
71.52210	0.8
72.99310	1.9
73.02937	2.8
75.00867	1.5
78.95897	9.0
83.01381	2.5
83.05021	0.7
85.02946	9.4
87.00859	4.4
89.02439	2.8
93.03424	0.8
95.01389	1.5
97.02946	1.4
98.06088	0.7
99.00895	7.4
99.88361	0.5
101.02438	4.1
110.98528	9.5
111.00858	2.1
111.02004	15.6
111.36594	0.6
112.94553	0.6
112.98573	10.0
113.02441	8.1
113.99588	17.3
115.00375	18.6
115.03986	0.6
116.00697	0.7
119.05042	3.9
125.02394	0.7
127.00361	3.8
129.01907	3.0
129.22371	0.5
130.08812	0.7
131.03455	0.8
139.00519	0.6
141.01965	0.6
142.08725	0.9
142.99872	6.1
143.03439	0.6
143.09042	0.8
144.06662	25.4
145.01379	0.6
152.99596	2.9
157.01436	4.8
157.05089	0.8
161.00935	1.2
161.04597	1.7
163.04018	6.5
164.03456	0.6
169.01360	1.1
173.04504	0.6
174.01694	17.1
175.02466	4.7
191.05536	1.4
193.07188	1.0
277.05652	18.7
278.06015	1.3
294.03625	0.9
337.04407	7.0
337.07761	100.0
338.04547	1.0
338.08011	6.9
338.11423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03440	1.4
59.01377	3.8
60.99303	0.3
67.01890	1.0
69.03412	0.4
71.01382	1.6
71.05019	0.5
71.54086	0.5
84.02136	0.4
85.02949	13.5
87.00851	2.6
93.03446	5.1
96.95995	0.4
109.02952	0.8
111.00856	0.5
111.04507	1.6
113.02448	0.6
115.03996	0.3
117.03453	0.7
119.05028	8.8
121.02937	0.4
123.04523	1.4
127.04016	1.9
129.01938	2.7
135.04546	0.7
145.02942	5.7
146.03320	0.4
147.04539	0.9
149.06085	2.1
159.04515	1.8
160.05290	0.6
161.02473	0.7
162.03249	0.7
163.04008	8.4
164.04324	0.4
165.05573	0.4
171.02991	0.4
173.00880	0.4
173.04546	3.1
173.06076	1.8
173.19833	0.4
175.03983	0.8
175.07576	0.3
176.04723	0.8
177.05605	0.7
177.09238	0.5
187.03644	0.4
187.07573	0.6
187.14847	0.3
189.09213	0.8
191.02087	3.1
191.05605	100.0
191.06900	4.3
192.05933	4.9
192.07510	0.5
193.05109	0.4
203.07121	0.7
205.08704	0.4
217.04869	0.5
231.06642	2.3
231.10245	0.9
249.11285	4.9
250.11755	0.4
337.09476	4.7
337.13348	0.5
338.09851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28172	1.9
51.69768	1.6
59.01379	5.2
61.98827	100.0
69.21068	15.3
71.01376	10.4
79.63095	1.7
85.36515	2.1
87.00872	28.9
89.63493	2.0
93.03429	3.6
96.96001	2.8
99.00864	17.6
119.05006	1.8
121.02901	3.1
126.72929	1.8
130.99855	13.6
137.02396	2.7
147.04555	2.7
159.04495	6.0
163.03960	2.8
167.03494	8.8
172.05263	4.7
173.04526	2.8
173.05988	6.3
187.03920	6.2
187.07573	4.2
191.07121	4.5
201.05576	30.4
202.06232	4.0
215.03513	2.5
215.07034	7.4
216.07909	3.1
218.05623	2.3
227.07028	5.5
229.04990	2.6
229.12234	2.0
230.05821	44.9
230.12558	5.8
231.06119	2.7
244.03801	2.9
245.08185	13.5
254.04376	11.7
255.06673	3.2
267.06973	2.3
273.07675	68.7
274.08008	5.1
292.12674	2.7
336.11609	2.4
337.09082	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
68.99825	0.4
69.03442	0.1
69.99229	0.1
70.70953	0.1
70.71248	0.1
71.01377	1.3
72.99314	0.1
73.02956	0.2
75.00861	0.1
75.95432	0.1
78.95893	0.4
80.20805	0.1
83.01398	0.3
85.02948	0.8
87.00886	0.3
87.91698	0.1
89.02453	0.4
95.01388	0.2
96.04597	0.1
96.96043	0.2
96.96956	0.6
97.02929	0.2
98.06118	0.5
99.00886	0.8
101.02450	0.2
111.00904	0.3
111.34715	0.1
113.02437	0.8
113.99584	2.2
115.00386	0.8
124.04012	0.2
124.96474	0.1
126.05616	1.5
127.00387	0.3
129.01965	0.2
133.01445	0.1
134.48293	0.1
142.05106	1.9
144.06660	100.0
149.04556	0.9
157.01418	0.7
158.04608	0.2
165.04066	0.2
169.01439	0.2
174.01694	2.0
175.02469	0.3
177.47717	0.1
192.94040	0.1
193.07072	0.1
277.05640	2.6
278.02704	0.1
278.05841	0.2
337.07739	13.9
338.08035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.5
61.98843	2.5
68.95178	2.1
71.54744	2.5
85.10545	2.1
93.03445	6.3
96.95963	2.6
117.03452	10.4
135.04509	3.6
135.97400	2.2
143.05023	5.3
145.02919	4.7
147.04501	9.2
159.04478	6.1
161.02411	3.8
163.03992	5.1
171.04477	10.8
179.03473	7.7
186.86780	2.7
187.03972	8.1
189.01855	4.9
189.05568	6.9
199.03938	2.4
215.03522	5.0
242.02306	3.9
243.02959	8.7
244.39581	2.4
245.04558	2.6
271.02469	100.0
271.05432	5.0
272.02646	5.6
284.03247	30.4
285.03564	3.9
289.03473	7.9
291.05310	3.2
291.12354	2.1
299.05560	36.4
300.06180	3.1
317.03003	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	335.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86408	0.7
59.01377	4.3
63.31707	0.7
69.69799	3.8
69.70205	1.4
71.01396	0.7
80.05070	6.3
87.00878	1.6
92.05056	1.5
94.06066	1.4
94.06625	14.6
107.03767	2.5
108.04557	17.4
109.05365	1.3
110.06127	3.5
120.04565	8.4
122.02485	6.0
122.06119	3.5
124.04050	1.4
124.07689	6.8
127.28704	0.7
136.04034	2.6
138.05597	8.4
145.02953	0.9
148.04047	5.7
148.51190	0.7
150.05591	5.0
152.03455	1.1
152.07149	1.0
154.05119	1.8
159.04465	1.0
161.02472	1.1
162.48207	0.7
162.71211	0.7
166.05093	93.8
167.05470	4.3
182.04539	1.9
187.07616	2.2
187.09497	0.7
194.04558	6.0
199.02426	1.6
210.04074	100.0
211.04440	5.3
215.11888	2.8
228.45508	0.8
231.10219	1.2
255.11485	1.0
291.12482	2.4
302.84119	0.8
317.11398	3.2
335.12485	21.4
335.16653	0.9
336.12796	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	333.0979
Annotation	Melampodin B
Peak:m/z	Relative Intensity
56.99157	0.8
58.89606	0.8
59.01368	2.4
68.99809	1.0
69.76698	4.5
91.05518	5.7
93.03457	1.6
95.05019	2.2
97.06570	1.9
103.05524	2.0
105.03453	5.8
108.02107	1.1
109.02893	0.8
119.05024	6.3
121.02958	8.6
122.03748	9.4
122.94911	0.8
124.01659	1.0
125.52811	0.7
129.03456	2.4
133.02956	4.3
134.82814	0.7
137.02438	53.2
138.02766	2.1
139.04016	17.1
145.02911	1.6
146.03654	1.2
147.04512	100.0
148.05318	40.0
149.05634	2.5
163.04045	6.1
164.04765	3.8
169.00702	0.8
179.03484	1.6
183.44894	0.8
186.06778	0.8
191.03496	8.9
192.04272	65.5
193.04637	4.6
207.02951	8.7
224.03201	5.5
227.10716	1.0
236.03249	20.0
237.03569	1.7
289.10889	1.8
295.84860	0.8
333.09778	13.4
334.10388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79773	0.4
59.01373	3.6
61.98840	0.5
62.57555	0.5
67.01883	0.4
71.01366	3.0
71.53763	0.6
73.02950	1.9
83.01395	0.5
83.05029	1.1
85.02948	4.6
87.00877	1.6
89.02434	1.0
93.03465	3.3
99.00905	0.7
101.02428	1.5
109.02960	0.8
111.04482	2.0
113.02476	0.8
113.03603	0.4
116.05054	100.0
117.05396	4.5
122.06115	0.7
123.04494	0.4
124.03970	0.4
125.02450	0.4
127.03985	1.2
144.04617	0.4
149.06078	0.6
155.03467	2.5
160.04022	94.9
161.04395	6.1
169.04004	0.5
173.04532	4.2
173.11913	0.5
187.05118	0.5
187.09538	0.4
191.05591	42.1
192.05942	1.7
194.04543	0.6
203.03528	0.7
203.07095	0.7
241.06293	0.8
272.11359	0.7
310.59299	0.4
317.11459	0.4
334.09219	4.6
334.15408	0.5
334.19376	0.4
335.04935	0.5
335.13358	1.4
335.17139	1.7
335.20639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.1
69.03423	1.9
85.02940	2.6
96.13499	1.8
97.06586	5.0
97.15419	2.1
101.02448	15.5
109.02972	3.9
109.12383	1.6
115.59682	1.9
121.02936	1.9
122.03707	2.3
123.08218	2.2
133.03003	2.2
137.02426	6.5
139.04019	2.7
143.05019	2.6
145.06592	2.9
146.03726	5.3
147.04526	41.6
148.05357	10.2
149.06012	1.9
155.05064	2.7
159.04518	24.8
160.05225	8.4
161.06058	13.7
163.07622	5.4
169.06401	2.1
172.05295	46.7
173.06073	72.8
174.03137	4.1
174.06700	6.2
175.03992	7.7
175.07584	9.6
176.04762	14.3
183.04449	4.1
185.06009	5.3
186.06808	12.7
187.04060	9.5
187.07645	43.1
188.04799	2.3
188.08344	6.5
189.05580	26.6
189.09200	17.2
192.04247	7.1
196.05280	3.0
197.06087	20.5
198.06801	11.4
199.07634	5.7
200.04747	7.0
201.05566	25.4
201.09201	82.8
202.09595	6.3
203.07036	3.1
204.04231	4.4
204.07906	44.9
205.08392	3.3
209.09834	1.8
211.07550	4.3
212.08350	5.6
215.07124	39.0
215.10463	1.8
216.07889	28.8
217.04974	2.3
217.12352	4.2
225.09229	12.1
227.10759	99.0
228.11070	8.7
228.58447	1.9
229.08636	10.4
245.11823	100.0
246.12073	9.1
255.39209	2.0
260.06741	4.2
271.09714	15.4
289.10809	65.2
290.11078	8.3
333.09799	50.9
334.10178	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	333.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.1
59.01378	5.9
61.98829	1.8
71.01385	2.8
71.53633	1.4
73.02940	1.7
75.00901	1.2
78.95910	8.9
83.01413	1.0
83.05035	1.2
87.00863	2.2
89.02474	1.3
91.05515	1.7
93.03458	3.8
95.24744	1.0
96.96010	85.5
96.96921	9.0
97.06602	7.5
101.02438	3.5
101.04025	1.2
103.05550	1.0
105.03509	1.4
109.03008	1.3
110.02508	1.3
112.04008	1.4
113.02406	1.3
113.89699	1.1
115.07632	1.6
117.03446	3.7
119.05031	4.6
125.02448	3.2
129.03462	4.8
129.18030	1.0
133.02902	1.7
137.02422	2.7
145.02948	95.7
146.03754	43.5
147.04527	57.3
148.04854	3.5
153.01926	1.1
155.03532	1.1
159.06563	7.0
161.02419	4.2
171.03023	1.4
173.04553	9.7
184.06165	3.7
185.06464	2.2
187.59143	1.1
191.03503	16.4
191.05533	2.2
197.05539	1.2
228.64223	1.1
235.02470	100.0
236.02763	8.3
251.40096	1.2
314.99176	1.8
332.99719	2.2
333.06009	3.7
333.11981	4.5
334.05984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82382	0.4
53.23075	0.4
59.01376	0.9
61.98822	0.4
65.00322	0.8
79.04602	0.4
82.00613	0.4
97.06589	0.7
110.00086	16.7
113.02489	0.4
117.03423	0.8
119.05009	0.5
121.02966	1.1
122.00101	0.9
124.98793	0.6
136.98779	1.0
137.02444	3.7
137.99586	2.3
138.02727	0.6
139.04060	0.4
143.28185	0.4
145.03014	0.4
147.04494	7.8
148.05225	1.8
153.75972	0.4
156.97917	0.4
159.04495	0.6
161.02423	1.4
165.99055	100.0
166.12874	0.4
166.99394	3.9
181.01408	83.6
182.01735	4.0
183.02870	0.5
189.02031	0.4
191.03485	1.6
192.04242	1.9
199.02551	1.9
201.09009	0.5
213.04005	8.3
227.10835	0.7
243.03101	0.8
245.11926	0.5
259.02408	0.7
272.03323	0.6
287.05545	0.5
289.10889	1.0
301.03430	3.0
306.21744	0.5
333.02524	0.7
333.06226	1.3
333.09720	0.9
333.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45929	1.2
65.00322	8.5
68.99810	1.3
69.42149	9.3
71.01389	2.1
72.99297	1.4
74.95023	1.1
86.87404	1.2
97.06588	1.1
108.02209	1.2
108.99280	1.5
109.02950	9.0
110.00095	23.3
111.00893	24.2
119.05041	2.1
121.02937	3.3
123.00864	1.2
125.99596	2.5
130.04251	1.3
136.98808	9.7
137.02562	1.5
137.99590	11.7
139.00371	79.5
140.00714	3.7
142.81474	1.1
145.02977	3.6
146.03693	2.2
147.04512	22.6
148.05228	2.7
158.03668	1.4
159.04523	2.9
161.02478	2.7
162.06857	2.5
163.07689	3.4
164.98282	16.4
165.99072	71.5
166.99644	5.4
171.04521	2.5
172.05263	1.9
173.02394	1.3
173.06056	2.3
173.09756	1.6
174.03302	1.5
174.06786	2.1
176.50374	1.2
182.28564	1.1
186.06915	3.4
187.04002	9.9
187.07646	6.6
188.04636	1.4
188.08424	9.2
189.09210	8.4
190.02638	1.8
191.03474	5.7
191.10779	2.1
192.04323	2.9
192.97789	3.8
193.98569	22.1
197.06062	1.6
198.06796	1.4
201.01935	1.9
201.09238	15.1
202.02756	2.3
203.03409	7.7
204.07906	1.8
211.07692	1.2
213.01909	2.0
214.02545	2.0
215.03600	3.8
215.07169	2.3
216.07939	5.3
217.01453	4.1
217.12384	6.1
219.10263	2.4
227.10745	14.5
228.10907	1.3
229.01366	1.8
230.02167	1.7
231.02972	13.4
235.02428	2.4
243.02953	1.7
245.11829	14.5
246.12175	2.0
257.00848	2.2
259.02490	7.8
260.02902	1.3
260.06674	1.5
269.00995	1.4
271.09845	4.8
275.01877	2.8
285.00317	1.8
286.01187	62.6
287.01938	70.8
288.02258	5.7
289.10776	29.9
301.03522	76.6
302.03864	7.4
303.01437	26.1
304.01865	2.6
315.01431	2.4
318.03766	61.3
319.04135	6.3
333.06174	100.0
333.09851	13.9
334.06537	10.7
334.10083	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	332.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
93.56059	1.1
97.06568	3.3
105.03471	2.3
108.02151	1.2
117.03461	1.9
119.05014	2.9
121.02943	3.1
122.03725	2.5
137.02428	12.5
139.04060	5.8
145.02933	1.6
147.04515	33.8
148.05301	11.1
159.04489	1.2
161.02455	1.9
171.04469	3.2
172.04880	6.1
173.05000	2.4
174.05275	2.2
187.03989	1.1
189.01830	1.1
191.03423	4.3
192.04242	14.1
201.05389	1.0
207.02904	1.5
216.04138	3.2
224.03104	1.3
227.03427	1.2
228.03918	1.2
229.03932	1.5
230.04233	1.4
236.03297	3.1
243.02925	2.9
259.02383	2.8
269.04514	5.6
271.02225	2.5
272.03247	6.4
287.05548	4.3
289.10745	1.7
302.02789	5.1
317.05075	15.8
332.07639	9.7
332.15695	2.3
332.19382	1.1
333.09705	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	332.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.1
59.01377	11.8
64.99950	0.4
70.53285	1.2
71.01379	7.6
75.00858	3.1
75.04156	0.5
84.04556	2.1
85.02953	1.8
87.00854	0.5
89.02430	1.1
93.03452	2.0
94.02933	0.9
95.04996	0.8
97.01676	1.3
97.06580	0.7
98.25755	0.5
101.02422	1.6
110.02461	0.9
112.04048	31.3
113.02447	0.7
113.04414	0.6
113.06060	0.6
122.06113	2.8
124.04038	25.0
125.02443	0.9
125.04373	0.6
129.01941	1.6
140.07176	12.7
147.03015	4.3
153.01953	0.7
154.02232	0.5
159.06598	1.4
165.04018	4.0
166.05066	1.7
173.04518	2.8
177.78473	0.5
184.06142	100.0
185.06467	4.8
191.05653	1.3
195.43285	0.5
284.29297	0.5
297.75201	0.6
313.94965	0.6
332.09885	7.6
333.11664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41645	2.0
109.02902	2.3
117.03464	6.9
145.02922	25.6
146.03703	5.9
159.04506	4.2
160.05266	2.2
161.02350	2.4
161.06067	4.6
162.41655	1.9
170.03778	2.3
171.08121	3.5
172.05357	13.4
173.06067	5.8
174.03151	2.4
175.07635	3.3
184.05219	2.5
185.06061	30.9
186.06851	12.2
187.07648	20.5
188.22363	2.0
189.05576	12.7
189.09233	18.5
196.05286	26.7
197.05859	2.7
197.09682	4.1
198.06715	2.7
199.04001	8.0
199.07632	36.2
200.08319	14.1
201.09163	8.0
203.07088	3.5
204.07886	22.2
205.08299	4.0
207.08165	3.7
209.06055	33.7
210.06793	4.8
213.05560	21.7
213.09108	2.8
214.06311	45.2
214.09686	2.4
215.06793	2.5
215.10793	12.2
223.07629	43.2
224.08295	17.5
225.09192	65.7
226.09479	5.9
227.06999	3.0
228.07881	6.3
241.08707	5.2
242.09355	2.1
243.10205	100.0
244.10495	9.8
247.02081	2.2
269.08258	2.4
287.09421	4.6
331.08212	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	331.1035
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01372	3.5
61.98811	0.6
64.58221	0.5
69.37348	1.3
69.37760	2.7
71.01373	3.8
73.02941	0.7
75.00859	1.0
82.00603	0.7
82.99610	1.2
83.01372	0.9
84.00897	4.7
85.02940	3.0
87.00887	1.4
89.02448	1.5
93.03459	2.6
96.95977	0.6
96.96973	0.5
99.00854	0.6
101.02442	1.9
108.02180	0.7
109.02931	0.7
110.00079	6.1
111.04516	1.2
112.04089	1.0
113.02457	3.1
113.06077	5.1
114.02006	0.9
119.05067	0.5
121.02937	0.5
124.01692	1.2
124.04065	0.7
125.02447	9.0
126.05588	1.1
127.03988	1.3
129.01988	0.6
133.02969	0.5
133.63199	0.4
137.02446	1.3
137.99588	7.5
139.00354	2.1
140.01161	1.6
151.00389	1.3
151.03957	0.6
152.01184	2.5
153.01932	100.0
154.02428	5.1
155.03523	3.5
156.99658	1.4
157.05064	4.1
157.08817	0.9
161.04604	1.6
164.98280	0.9
166.02629	0.6
166.22446	0.5
167.03488	11.5
168.04272	51.7
169.01390	2.9
169.05014	9.3
169.06326	1.3
173.04552	6.9
176.01135	0.7
178.80330	0.6
179.03532	0.8
181.05020	0.7
182.99350	1.6
184.06166	2.4
191.03679	1.0
191.05629	3.2
193.01430	0.6
193.04907	0.7
198.01709	1.2
209.04546	1.1
211.07396	2.7
239.05852	0.5
245.08304	0.6
331.06696	3.0
331.10400	7.3
331.13922	1.2
332.10437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0458
Annotation	Laurencenone A
Peak:m/z	Relative Intensity
59.01371	0.9
70.41236	1.2
71.01363	0.9
85.02956	0.6
87.00916	0.6
110.00088	4.7
111.00905	3.4
112.01694	0.7
121.02155	0.7
121.02965	0.7
123.00877	1.2
127.85820	0.7
131.05229	0.5
131.76208	0.6
139.00381	5.2
140.01154	100.0
141.01456	3.4
147.00847	1.2
148.01648	4.9
149.02397	1.8
155.03487	4.6
165.99052	10.3
166.99850	4.1
170.03751	0.6
172.05318	2.4
173.02513	0.7
173.05969	0.7
173.11311	0.6
175.07608	0.8
181.01456	1.9
185.06061	5.0
186.03163	0.8
186.06786	2.0
187.07639	4.8
189.09203	2.6
196.05289	4.9
199.04036	1.3
199.07652	5.6
200.08353	2.0
201.09285	0.9
203.07045	0.7
204.07898	3.7
209.06059	4.2
210.06720	0.9
213.05598	2.2
213.09297	0.9
214.06313	6.7
215.10785	2.0
223.07635	6.4
224.08350	2.4
224.10991	0.6
225.09186	8.6
226.09547	0.7
227.03410	1.3
228.07939	1.2
241.08627	0.7
243.03056	0.7
243.10228	17.7
244.10596	1.9
271.24701	0.6
272.03198	2.8
287.05731	0.7
298.01160	1.2
316.02213	45.4
317.02542	4.6
331.04581	55.9
332.04834	5.6
340.72717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93494	1.9
69.03451	3.3
70.91113	4.6
73.32464	1.7
87.30268	1.9
93.03450	2.1
135.04541	1.9
140.01151	6.2
152.75966	2.1
156.05803	2.6
159.04541	3.4
160.05185	2.3
161.06047	4.8
170.03700	3.4
171.08151	2.0
172.05283	13.7
173.06044	5.9
174.03114	2.7
175.07634	4.6
185.06071	30.4
186.06847	14.8
187.03893	2.4
187.07605	27.4
188.08209	3.8
189.05577	12.6
189.09166	17.5
196.05284	26.1
197.05896	2.9
197.09604	2.9
199.03989	7.1
199.07629	35.1
200.08354	13.5
201.09120	7.3
203.07137	4.7
204.07874	24.4
207.08086	2.7
209.06030	28.7
210.06660	3.9
213.05565	20.6
213.09076	4.6
214.06323	44.4
214.09975	2.9
215.06773	3.8
215.10623	11.0
223.07602	39.7
224.08414	13.4
225.09166	59.2
226.09526	4.2
228.07869	7.0
239.07228	2.6
241.08691	4.1
243.10219	100.0
244.07396	2.5
244.10606	9.0
287.09235	3.9
326.97290	2.2
331.04559	2.8
345.91498	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	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11902	0.9
70.28565	1.3
70.28931	1.9
75.96927	0.8
78.46223	0.9
104.44489	1.0
111.95007	0.8
124.90903	0.8
151.00360	1.9
171.04503	2.6
173.02629	0.9
199.03976	7.7
201.01898	2.1
203.03435	0.9
214.02519	1.0
215.03563	4.0
225.01962	1.6
227.03494	6.2
229.01434	1.0
242.02217	7.1
243.02954	33.3
244.03320	3.1
255.02985	2.6
257.04565	9.2
270.01660	8.5
271.02448	55.2
272.02817	3.4
285.04034	17.2
286.04697	4.9
299.01962	51.3
300.02206	2.9
314.04312	66.1
315.04611	5.8
329.06644	100.0
330.06982	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79083	0.4
56.15940	0.4
59.01375	5.4
68.99821	0.5
69.03450	4.4
70.27731	0.9
71.01402	0.6
72.08058	0.4
73.02945	0.5
81.03454	0.8
83.01386	0.6
85.83638	0.4
85.84370	0.4
93.03473	0.5
95.01391	1.2
96.52407	0.4
97.02946	19.8
98.03302	0.6
107.01405	0.7
123.04492	0.6
124.68800	0.4
125.02441	100.0
126.02766	3.7
147.33185	0.4
149.30835	0.4
155.07123	0.8
158.11720	0.4
167.07118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87989	0.7
55.01878	1.0
59.01378	8.8
69.03462	3.9
69.50434	4.6
70.03768	0.7
71.01376	2.0
73.02944	1.8
75.11123	0.6
75.11610	0.6
83.01401	1.4
85.02947	1.9
87.00883	1.4
89.02453	2.6
90.73383	0.7
93.03440	2.0
95.01397	1.7
97.02952	19.5
101.02456	1.1
108.02176	1.3
110.06019	0.7
111.04535	1.3
121.02983	0.8
122.03747	8.4
123.03310	1.0
123.04528	8.9
125.02448	100.0
126.02810	4.1
131.03438	1.0
134.03708	0.7
135.94377	0.7
138.05623	4.2
149.02521	0.8
149.04543	6.2
155.03549	1.0
155.07108	3.3
161.04567	1.9
165.04106	0.7
167.03462	2.7
171.41953	0.7
173.04562	4.4
173.12854	0.8
191.05646	3.5
285.09912	0.8
306.64441	0.7
314.04309	1.4
329.08762	1.9
329.12326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44194	0.6
52.01180	0.7
59.01378	100.0
60.01707	1.4
67.01870	0.6
69.03454	0.7
69.25540	4.4
69.25948	1.4
71.01379	4.7
72.99304	0.8
73.02955	2.0
83.52498	0.6
85.02953	4.6
87.00891	1.7
88.64513	0.6
88.93936	0.6
89.02409	0.7
93.03455	4.9
97.03024	0.7
99.00929	0.7
101.02452	3.3
109.02950	0.8
111.00889	0.7
111.04502	1.4
113.02449	2.0
121.02976	0.7
123.04543	1.0
125.02451	1.6
127.03970	0.8
130.08736	1.4
135.04584	0.9
155.03546	1.2
155.07143	0.7
161.04568	3.0
167.03482	3.1
173.04552	18.0
174.04854	0.7
182.08258	0.8
191.05608	17.2
227.03542	1.1
255.03085	1.2
269.10254	6.5
271.02548	1.6
285.07996	0.7
299.01974	2.3
314.04315	6.3
329.06595	6.0
329.12335	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	330.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.4
61.98830	100.0
69.63776	7.7
77.48262	1.4
87.67645	1.5
98.19952	2.7
121.69983	1.4
172.04878	1.7
199.04002	2.6
200.04344	1.9
218.48370	1.3
228.03860	3.7
244.03221	2.8
256.03415	2.0
271.02411	2.8
272.02783	6.7
300.02338	9.1
314.04349	1.9
315.04633	33.0
316.04834	2.5
330.03033	1.7
330.06982	33.0
330.23642	3.1
331.07422	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.00304	1.5
56.38840	0.6
64.41105	0.6
70.28986	2.1
73.53369	0.7
75.82351	0.7
90.79464	0.6
92.48363	0.6
93.45447	0.5
117.03454	2.7
121.38979	0.6
133.02959	1.1
143.05022	13.9
144.05370	1.2
145.02960	4.2
151.00394	0.7
159.04483	0.7
170.07574	0.6
171.04506	88.6
172.04845	6.5
187.03986	2.0
189.05595	6.7
199.03983	11.3
211.03960	1.1
215.03462	10.1
217.04996	4.8
227.03485	48.0
228.03821	3.2
235.78178	0.7
241.08630	2.7
243.02942	2.7
255.02943	4.2
271.02405	2.3
285.07544	1.4
296.03345	0.9
299.01944	54.6
300.02374	4.7
314.04297	100.0
315.04660	9.6
329.06644	72.0
330.06955	7.7
338.17722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0664
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.06521	0.3
70.84555	0.7
74.43008	0.3
80.35831	0.3
86.10162	0.3
93.92995	0.3
94.00605	0.3
106.00614	0.6
109.02934	1.6
119.01334	0.5
122.00018	0.4
133.02971	0.4
134.00081	0.6
135.00893	0.5
143.05019	1.2
147.00906	0.6
148.01680	1.0
149.02365	0.7
151.00380	0.5
152.08818	0.3
157.02959	1.7
159.04530	1.3
160.98801	1.2
161.99586	3.4
163.00325	0.7
171.04506	5.0
172.04834	0.4
182.03778	0.3
183.04544	1.8
187.03992	3.5
189.99115	0.5
190.99933	0.5
197.02307	0.6
198.03186	0.8
199.03978	7.4
200.04282	0.4
211.04027	1.3
213.01753	0.5
214.02727	0.4
215.03477	4.9
216.03949	0.4
225.01897	0.8
226.02718	0.6
227.03488	10.9
228.03868	0.9
230.05856	0.4
242.02361	0.6
243.02960	10.6
244.03250	1.0
253.01382	2.0
255.02974	11.1
256.03299	0.7
258.05319	1.0
270.01639	1.7
270.05280	1.9
271.02469	23.4
272.02963	2.0
281.01004	0.5
282.01669	1.2
296.03357	0.7
298.01212	1.8
299.01950	30.4
300.02386	2.8
311.81665	0.4
313.03421	1.3
314.04306	100.0
315.04620	9.8
329.06641	71.4
330.06967	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.51310	2.9
55.01873	3.5
57.03430	4.9
58.00578	4.6
59.01372	27.9
71.01379	19.8
71.05003	6.6
71.53983	5.3
72.99280	4.7
73.02945	14.0
83.01389	6.7
85.02934	15.3
87.00882	3.4
89.02454	4.3
94.17929	3.2
97.02930	3.8
97.06584	4.4
99.00884	3.7
101.02440	30.9
105.65009	3.2
109.06572	6.1
111.08126	30.1
113.02487	7.2
121.06544	3.4
123.08137	12.2
125.09703	10.6
127.11240	6.2
135.08128	5.7
137.09631	5.4
137.63528	3.4
139.11282	4.6
153.09210	11.2
155.10669	9.5
160.33685	2.9
161.04517	5.0
165.09117	3.9
167.10661	5.6
171.10258	76.0
172.10561	5.1
183.01239	26.0
183.10291	5.9
184.63200	2.9
185.11823	39.5
193.07152	63.3
194.07559	3.4
197.11755	27.2
198.12076	4.2
199.13420	6.9
201.11299	51.7
209.11803	10.2
213.11307	17.7
227.12891	23.3
235.13231	6.2
245.19115	5.7
289.18011	14.0
307.19046	9.0
325.11276	43.3
325.14758	29.7
325.20239	100.0
326.20520	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72399	1.4
59.01383	8.0
60.78245	1.6
61.98816	1.5
62.13216	1.4
63.55701	1.6
71.01379	3.9
73.02953	2.4
81.84525	1.4
83.01377	1.8
83.04997	1.4
85.02958	1.6
95.04993	1.6
97.06594	2.3
98.19875	5.6
101.02454	7.7
121.10217	3.4
123.08150	2.6
125.09720	2.4
128.11754	1.6
139.11285	31.9
140.11662	2.1
151.11285	6.0
155.10750	2.3
165.12843	2.0
171.10255	26.3
177.12868	10.9
183.01215	10.5
183.10165	5.2
192.22206	1.4
193.07147	15.7
196.71255	1.7
197.02753	3.9
239.07674	1.6
272.40463	1.7
275.20215	8.8
293.21173	11.4
307.22739	23.8
308.22949	2.7
325.11636	9.4
325.18375	21.0
325.23770	100.0
326.18625	3.6
326.24228	12.6
346.90857	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	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	40.9
61.98827	3.3
70.89034	1.4
78.38190	0.6
87.00908	1.0
99.03037	0.8
115.02502	2.4
117.00464	4.2
125.00912	1.6
126.98912	1.4
143.02025	3.3
157.03540	1.3
159.01491	58.5
159.22395	0.5
160.01607	5.4
168.99925	6.3
170.97781	3.8
171.04498	1.1
171.97772	0.7
187.00978	100.0
188.00688	10.7
199.03987	1.2
201.02554	15.3
202.02722	2.2
216.55679	0.6
227.03491	1.2
241.00552	1.4
243.03004	1.3
255.02907	1.3
259.01456	0.8
271.02570	2.9
274.99207	1.4
287.01108	1.5
299.01926	2.7
311.01035	1.3
314.04330	11.1
328.97031	1.5
329.02130	5.5
329.06631	9.1
330.02350	1.4
330.06787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.64479	0.9
56.66084	0.8
57.31603	0.8
59.01377	100.0
61.76517	0.8
61.98829	1.2
70.60027	3.0
185.00789	2.9
214.35678	0.8
327.18561	6.2
327.29019	82.7
328.29303	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.94545	0.5
57.03447	2.9
59.01365	0.6
65.39893	0.4
69.03449	3.6
69.98863	2.1
71.01363	0.7
74.50865	0.4
83.05035	0.7
84.02143	0.9
85.02454	0.9
85.02948	12.9
90.70274	0.5
95.05004	0.7
97.02946	1.8
97.06581	3.4
115.95724	0.4
119.08691	0.7
125.09716	1.2
127.11264	1.3
137.09698	3.4
155.10780	0.6
165.12869	0.8
166.26680	0.4
167.14371	0.4
171.10262	30.7
172.10579	1.3
177.12837	1.0
183.13898	3.5
185.11879	0.5
193.12300	0.9
201.11325	1.2
203.10751	0.6
209.11787	1.0
211.13390	13.8
212.13701	1.2
221.11781	2.7
229.12317	0.7
229.14433	9.2
230.14774	0.8
239.12869	1.4
247.20665	0.5
280.92212	0.5
291.19604	2.5
292.19763	0.6
309.20612	1.4
327.21741	100.0
328.18362	0.7
328.22095	10.5
328.25961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0869
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01363	0.9
59.15268	0.5
87.00851	3.9
93.03452	30.5
94.03775	1.2
95.56528	0.5
96.99306	6.3
106.04293	0.7
107.04999	0.8
108.02154	2.1
109.02932	2.1
117.03447	2.5
119.05019	29.8
120.05373	1.3
123.04508	3.7
126.13952	0.6
130.04218	1.7
131.05019	6.1
133.02957	5.8
137.02397	0.9
143.05020	20.5
145.02942	4.2
145.06555	1.5
145.99008	0.6
147.04532	0.9
150.04395	0.5
157.31879	0.5
158.03668	0.8
159.04477	2.2
163.03998	18.8
163.07588	0.8
164.04391	0.8
171.04491	1.7
173.06004	1.0
203.03561	0.8
211.07597	5.9
219.08078	1.4
221.05945	0.8
221.09622	1.5
222.06828	0.7
223.07597	1.5
235.07585	4.2
237.09195	5.8
238.09509	0.8
239.10696	1.1
263.07123	0.8
264.07809	0.6
264.45471	0.5
265.08646	21.1
265.11533	1.1
266.08978	2.1
273.91275	0.6
283.09671	3.8
295.08322	2.6
309.07727	5.4
327.08694	100.0
328.09058	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	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03452	6.4
58.00595	1.5
59.01370	8.8
69.03454	2.2
70.64475	3.3
71.01360	4.2
71.05009	4.3
73.02938	4.0
80.02657	2.3
83.01392	1.6
83.05009	3.2
87.04485	1.7
96.95994	1.4
97.02945	3.0
97.06579	5.4
98.56846	1.4
101.02449	7.1
109.06567	11.3
111.08159	16.1
123.08182	2.3
125.06058	1.7
125.09701	17.9
127.07668	1.7
127.11267	9.1
137.09721	3.8
141.09259	2.0
141.79494	1.4
149.09732	1.2
151.11285	3.0
153.05319	1.3
153.09167	3.3
155.10765	3.8
157.12379	1.9
161.04546	1.6
165.09212	3.6
167.10791	3.4
169.12259	3.5
171.10281	11.3
181.12305	1.8
193.07164	15.9
193.12399	1.8
195.10260	2.8
197.11781	19.9
198.12234	2.3
199.02087	1.4
199.03978	4.3
199.07622	2.5
199.09697	2.0
199.13289	2.3
201.11307	51.9
202.11647	2.5
211.13367	14.4
213.11311	34.5
227.07118	8.7
227.12785	1.8
228.07890	5.2
235.13376	2.3
237.14923	10.6
245.19064	1.8
289.18069	22.5
290.18381	1.8
307.19147	28.8
308.19580	3.5
325.11496	12.1
325.20166	100.0
326.20544	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	325.2016
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01886	2.1
57.03442	7.4
59.01371	9.6
63.67228	2.0
68.86295	1.9
69.03431	5.6
70.16626	7.2
71.01388	8.7
71.05012	8.0
73.02940	3.6
79.39798	2.0
81.03439	3.3
83.05032	14.8
84.02151	3.1
85.02930	4.3
89.02449	2.3
95.05052	5.3
97.06593	9.7
98.03661	2.3
99.08160	3.9
101.02438	7.3
106.04221	2.3
109.06570	5.0
111.04488	5.0
113.02405	2.1
115.07648	1.8
121.06597	1.8
123.04453	2.5
123.08141	6.3
125.06065	2.4
125.09687	8.3
127.07643	15.6
129.01933	1.8
135.08185	8.2
135.32230	1.6
137.09708	3.3
139.07668	4.0
149.77237	1.8
153.09181	15.5
155.10748	4.4
163.11259	5.2
171.10254	40.7
178.09908	4.7
183.10214	2.2
184.05136	2.0
185.11798	24.8
193.07108	16.3
193.15903	2.8
194.07506	1.8
195.13876	2.3
197.11836	17.0
199.03935	6.8
199.07675	1.9
200.08287	2.4
201.11281	3.5
209.11816	67.9
210.12125	4.8
211.13388	7.6
219.13721	1.8
227.07101	9.7
228.07841	6.9
235.13474	5.9
237.14903	16.9
238.12033	5.0
245.19078	4.9
249.15016	3.0
256.13144	3.2
289.18103	27.1
290.18549	2.4
297.20657	2.3
307.19116	100.0
308.19464	7.6
308.78885	1.9
316.64902	1.8
325.11496	13.6
325.20181	88.8
325.24078	4.3
326.20602	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1138
Annotation	Robinobiose
Peak:m/z	Relative Intensity
54.32995	0.6
55.01881	2.1
57.03470	1.1
59.01158	0.4
59.01378	16.6
70.84392	1.6
71.01379	17.6
72.99315	1.3
73.02946	14.7
80.36828	0.6
83.01381	6.0
85.02943	9.3
87.00881	2.1
89.02454	4.1
95.01395	1.3
97.02961	0.9
99.00865	4.6
101.02444	30.1
110.48443	0.6
111.00902	0.6
113.02448	9.3
125.02467	1.7
131.03503	2.7
143.03485	1.0
149.04561	1.2
159.02919	1.5
161.04538	9.0
164.96524	0.6
193.07164	100.0
194.07518	4.7
233.06596	1.2
298.52454	0.6
325.11371	78.6
326.11691	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11465	0.3
58.19342	0.3
70.19210	1.3
70.30494	0.3
74.96929	0.4
79.95752	0.9
98.04009	0.3
119.05053	1.6
170.00359	1.3
183.01186	50.0
184.01851	4.5
188.88866	0.3
196.28349	0.3
197.02747	2.6
198.03262	0.4
215.80058	0.4
216.00957	1.6
225.05849	0.7
227.89099	0.3
230.02209	0.4
234.24939	0.4
239.07443	0.7
261.22113	0.4
265.96698	0.3
290.63040	0.3
325.18381	100.0
326.18710	12.6
326.22705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.05272	1.1
53.63234	1.4
55.01842	1.7
57.03439	5.7
59.01371	11.6
61.98824	2.0
70.43428	1.6
70.43777	4.1
71.01376	7.9
73.02936	6.1
80.02682	6.2
83.01381	2.7
83.05014	2.0
84.02161	6.7
85.02946	5.3
89.02423	1.7
95.05025	2.0
96.95963	1.9
97.06577	10.0
97.16656	1.2
99.00850	1.4
100.00771	1.1
101.02427	9.0
113.02424	5.3
113.09734	2.5
114.92909	1.3
119.08681	1.4
123.08140	4.5
123.65421	1.3
125.09717	74.7
126.10079	3.1
127.11304	2.7
135.08128	1.5
137.09715	38.1
138.09991	2.3
153.09219	6.9
155.10770	10.7
161.04471	3.6
164.08363	1.7
169.08678	2.9
171.10243	6.0
183.01132	2.9
187.09702	2.5
191.53111	1.4
193.07152	26.1
201.11368	1.6
209.11818	9.5
227.12869	2.3
253.17992	2.8
263.59973	1.3
279.19595	3.6
281.21124	3.1
289.18115	9.4
290.18362	1.4
307.19131	100.0
308.19525	11.4
325.02493	1.4
325.11398	19.3
325.14853	3.2
325.20419	17.3
326.11447	1.9
326.20517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
57.03447	2.3
58.00587	0.8
59.01377	23.6
69.62125	2.5
71.01378	25.8
72.99322	1.1
73.02941	17.4
75.00874	0.9
83.01390	6.7
85.02950	14.4
86.00066	0.5
86.03256	0.6
87.00878	1.8
89.02441	4.7
95.01379	1.7
95.85392	0.5
95.97453	0.5
97.02938	1.4
99.00897	6.2
99.04468	0.5
101.02441	38.8
102.02780	1.2
111.00872	0.8
113.02451	10.8
113.03251	0.6
114.02777	0.5
125.02466	1.6
129.01927	0.9
131.03497	2.0
133.05078	1.9
143.03526	0.8
145.07124	0.5
159.02988	2.5
161.04552	8.6
193.07158	100.0
193.86192	0.5
194.07521	3.7
198.93318	0.4
216.90833	0.5
233.06671	1.6
240.32190	0.5
263.06769	0.5
325.11368	67.6
326.11691	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.91726	0.4
60.92593	0.3
70.28559	1.1
70.28907	0.5
82.83858	0.3
93.03461	0.7
115.88668	0.4
119.05023	100.0
120.05363	4.5
147.51003	0.4
156.57182	0.4
163.04001	80.0
164.04329	3.8
325.09036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58286	0.4
59.01387	0.5
61.88650	0.4
70.84019	1.0
71.01373	0.5
87.00874	0.6
89.02467	0.5
93.03413	0.7
101.02447	0.6
119.05028	100.0
120.05368	4.8
145.02953	0.6
163.04008	76.3
164.04375	4.1
173.04497	0.9
175.03978	0.7
193.07190	0.7
203.03502	0.4
216.05292	2.0
258.38660	0.4
284.41614	0.4
342.10303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00773	0.6
55.01877	4.8
57.03447	2.0
58.00603	0.7
58.93727	0.8
59.01376	24.4
69.62276	1.0
69.62684	2.9
71.01381	24.8
72.99317	2.3
73.02943	18.8
75.00860	1.1
75.67744	0.7
76.06478	0.7
83.01392	7.4
85.02948	16.5
86.25935	0.7
87.00871	3.3
89.02438	5.1
95.01389	1.6
97.02950	1.8
98.19904	1.2
99.00893	6.1
101.02441	41.6
101.87009	0.9
102.02862	0.8
111.00876	1.2
113.02444	12.7
113.03177	1.2
114.02833	0.7
115.04020	1.2
125.02470	1.6
127.30064	0.7
129.01941	1.1
131.03491	2.4
133.05074	9.4
143.03493	1.0
159.02982	1.9
161.04535	9.9
193.07158	100.0
194.07512	4.2
233.06723	1.8
242.84213	0.7
325.11356	73.1
326.11703	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	323.2224
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.82072	1.3
51.22381	1.4
51.50303	1.3
57.03447	2.7
57.31476	1.3
59.01376	11.0
61.98821	2.5
69.03091	1.3
69.03452	7.2
71.01385	1.6
83.05018	2.3
88.39508	1.3
93.03422	1.6
96.96002	2.3
97.06606	2.9
119.08664	13.5
121.10226	2.3
121.61701	1.3
124.94656	1.3
125.09685	2.8
129.07883	1.4
135.08130	2.8
137.09720	31.6
139.11211	1.5
151.11282	3.5
155.10831	1.5
165.12883	2.0
171.10260	40.9
172.10600	2.5
177.12851	8.4
185.11842	2.5
197.11798	3.8
197.68282	1.4
203.14413	2.3
209.11755	1.8
221.11813	1.7
229.19577	4.1
247.20467	2.2
265.14828	1.7
273.18552	18.9
291.19635	24.5
292.19672	2.9
305.21210	19.4
323.22241	100.0
324.22559	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03450	2.8
59.01379	8.3
61.98823	2.0
69.43468	4.3
69.43899	3.9
71.05023	9.4
81.03456	1.1
83.05015	1.4
89.02420	1.2
92.61897	1.1
93.07075	1.4
96.96024	2.9
97.06603	3.2
111.08163	2.7
119.08671	5.0
121.10235	15.5
123.08198	2.4
125.09723	11.3
137.09711	18.2
141.12868	2.2
147.08144	1.8
148.08890	1.7
149.09680	7.1
151.11197	1.8
163.11296	2.3
165.12846	1.8
171.10251	23.7
177.12813	1.9
180.11327	1.4
185.11812	20.3
186.12163	1.5
197.11809	4.9
206.04355	1.2
209.11781	1.7
211.13463	1.5
217.15947	4.0
221.11703	1.1
224.39651	1.2
239.12874	2.1
247.20761	2.3
273.18637	7.9
285.31958	1.2
291.19638	100.0
292.20062	13.1
305.17715	1.5
305.21173	39.7
306.18265	1.2
306.21512	5.1
323.22250	83.1
324.22501	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.62280	3.2
59.01378	28.1
61.98824	4.8
66.12917	3.0
70.57854	5.1
70.58173	6.2
71.33179	3.0
72.88200	3.2
79.95723	6.8
89.02468	3.2
98.20013	5.5
119.08661	22.6
121.10217	3.5
123.08170	4.8
125.09707	4.1
135.86424	3.4
137.09720	7.4
151.11261	6.4
154.20593	3.5
169.89667	3.2
171.10245	37.2
181.12198	3.3
183.10271	5.8
197.11871	18.7
229.19632	7.4
247.20634	5.1
273.18582	21.4
291.19678	49.8
292.20105	4.6
305.21207	15.4
323.16446	9.8
323.19116	5.4
323.22281	100.0
324.22650	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96727	1.9
57.03442	7.5
59.01380	14.2
62.64793	1.8
64.09762	1.8
69.03455	3.7
70.81796	3.0
70.82114	2.7
71.01376	2.2
71.05016	100.0
81.03462	7.4
83.05029	5.3
91.04429	1.6
93.03475	4.0
95.05029	18.9
96.96023	3.8
97.06609	2.6
106.04169	1.9
107.05032	2.4
108.02192	3.3
109.02962	11.9
109.06596	15.9
110.03764	3.9
111.04538	9.0
121.02993	3.0
121.06582	7.4
122.03754	3.1
123.04518	4.8
123.08150	4.1
125.05960	2.2
125.09706	3.7
127.07635	2.0
133.06612	11.3
134.06969	1.9
135.08180	7.0
136.05284	2.1
137.06094	4.0
147.04451	2.0
147.08107	2.4
149.09717	1.7
151.07651	28.4
161.06171	2.4
165.09206	6.6
171.10258	36.2
185.11775	4.2
189.12769	10.2
196.05283	6.4
199.13394	5.1
205.16019	5.0
211.13446	5.5
225.09274	8.3
225.11664	1.8
233.11792	8.1
243.17488	15.6
244.17799	2.2
248.59358	2.0
249.14984	10.1
261.18610	4.2
263.16617	3.1
287.16516	66.5
288.16855	7.1
305.17563	26.6
306.18143	3.9
323.15411	2.9
323.18561	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.07429	1.2
59.01380	16.3
69.03443	1.3
69.67960	2.4
69.68351	2.9
71.01370	1.9
71.05007	5.9
74.54782	1.1
80.02681	1.4
81.03439	1.8
83.05029	8.6
84.02132	1.4
85.02966	1.2
89.09257	1.1
95.05019	4.0
96.96021	6.5
97.02949	1.2
97.06570	3.2
101.06090	2.2
105.78944	1.1
107.05028	11.8
109.06567	4.6
110.03709	1.9
121.02967	2.1
123.04485	2.3
123.08160	1.4
125.02422	2.7
125.06057	3.6
125.09705	7.9
135.08138	4.5
151.07599	1.9
151.11255	1.3
153.09206	12.1
163.00261	1.4
163.11267	7.0
165.12811	4.6
168.58115	1.2
171.10248	4.4
176.08389	3.2
178.09979	3.8
181.12340	1.6
185.11760	2.9
189.12785	1.6
190.09938	1.2
191.10794	2.0
197.11836	10.2
207.10258	8.1
209.11807	100.0
210.12154	8.3
225.11308	8.8
236.10414	2.7
237.14792	1.4
243.17523	3.3
254.11473	3.7
261.18530	5.4
263.16522	1.9
268.20026	1.3
279.19482	2.6
287.16437	10.1
305.17633	92.9
305.21173	17.6
306.17975	10.7
306.21335	2.1
323.05560	1.9
323.15201	2.3
323.18564	13.3
323.22281	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54010	1.5
57.03443	11.7
59.01106	1.9
59.01378	19.2
65.03928	1.9
71.05038	1.6
73.02968	2.2
77.22344	1.3
79.05533	2.0
81.03464	1.9
83.05022	4.7
93.03442	2.3
95.05020	50.6
96.96008	3.6
97.06583	12.7
107.05058	2.1
107.94959	1.9
109.06582	12.0
119.05030	2.6
123.08156	4.3
125.06068	2.6
125.09730	27.3
135.07205	3.0
135.08162	36.5
136.08481	2.2
163.11316	8.2
165.92294	2.0
166.78432	1.5
168.05809	2.0
171.10262	4.9
179.14391	9.5
185.11839	13.8
196.05283	21.4
197.05879	1.8
197.11859	2.3
198.46542	1.5
207.10269	9.7
209.11761	9.6
210.06847	2.4
211.13437	3.1
214.96533	3.9
223.13380	100.0
224.13695	7.7
225.09218	25.6
226.09822	4.7
227.48822	1.8
229.98521	2.0
235.13461	3.2
243.17616	1.9
247.13394	2.8
263.16495	3.9
265.14447	35.0
266.14880	2.6
287.16534	7.0
305.17563	23.7
309.02786	3.6
323.05505	4.3
323.15881	10.9
324.05304	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	323.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88540	0.7
53.47524	0.7
59.01374	5.8
63.72012	0.7
69.23457	6.8
71.01368	1.6
71.30876	0.7
85.02916	1.0
87.00877	1.3
87.68052	0.7
89.02444	1.2
93.03430	1.0
96.96025	1.3
97.06609	0.9
107.14056	0.7
113.02447	1.1
119.02741	0.7
119.05054	1.0
121.02921	0.8
122.03742	1.8
123.04516	10.8
124.04816	0.8
127.92541	0.7
137.02498	0.8
145.02864	0.9
147.04561	1.0
148.05261	1.7
149.02443	2.4
159.26900	0.8
161.02446	2.2
162.03200	0.9
163.03999	3.0
163.07625	7.0
164.04787	17.2
165.04156	1.5
165.05560	27.9
166.05948	1.0
172.05254	1.0
173.04543	0.8
174.03238	0.9
175.04004	9.4
175.11220	0.7
176.04459	0.8
180.28876	0.7
185.33942	0.7
187.07643	4.4
189.05547	3.9
190.02672	1.6
190.06235	1.3
191.03479	15.8
192.03835	1.4
203.07126	8.1
204.07854	2.6
205.08664	16.7
206.09047	1.3
219.06555	1.4
229.08649	3.3
247.09734	100.0
248.10071	9.4
251.07230	0.9
263.07074	1.4
277.16599	0.7
279.12350	8.5
281.08176	1.1
296.10471	0.9
297.90997	0.7
305.10162	0.8
307.95367	0.7
308.03238	0.9
309.07623	6.2
323.05524	1.4
323.11899	1.2
323.16498	0.8
324.09882	3.8
331.90271	0.8
335.17017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05988	1.1
51.34773	1.0
56.51820	1.0
58.00582	2.8
59.01375	94.8
60.01717	0.9
66.81306	0.9
69.18349	1.1
70.06553	2.7
71.01379	44.1
72.99303	2.8
73.02959	1.8
78.19850	0.9
79.52509	1.1
83.01384	2.4
85.02950	8.8
87.00872	2.0
88.08581	0.9
89.02437	51.6
95.01376	3.5
101.02439	28.5
113.02438	17.3
119.03493	26.9
131.03510	2.0
143.03485	1.6
149.04526	3.4
161.04550	2.0
179.05562	4.1
236.40504	1.1
314.98318	1.0
323.13443	100.0
324.13684	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.1
59.01376	87.7
60.01691	2.1
61.85125	1.1
70.70963	1.5
70.71297	1.5
71.01379	38.6
72.99287	2.1
73.02927	1.8
73.50134	1.0
73.59381	0.9
81.16918	0.8
81.68237	0.9
83.01366	2.2
85.02943	9.0
87.00864	1.5
88.92097	1.0
89.02438	45.0
90.74037	0.9
95.01369	3.2
99.08168	1.1
101.02436	27.3
113.02456	17.3
119.03497	20.0
126.61546	0.9
131.03468	2.0
143.03481	2.4
149.04507	1.1
161.04488	1.3
169.86519	1.1
173.54433	1.0
179.05600	3.5
264.53500	1.2
268.09406	1.0
323.13434	100.0
324.13846	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96386	7.3
57.03424	13.6
58.52343	7.0
59.01380	72.8
62.78391	6.7
66.02834	7.1
69.96263	16.2
69.96640	33.1
71.01402	7.2
71.05011	33.6
73.93637	8.1
77.47055	8.1
81.03447	13.2
83.01369	14.0
83.05021	15.0
93.03450	9.0
95.05016	71.4
96.96015	29.8
97.06585	14.3
109.06596	18.5
113.06048	18.1
121.02953	9.4
123.08154	22.8
123.71590	8.2
125.09703	34.1
130.08708	20.8
135.08165	24.9
151.07600	14.9
171.10283	83.4
185.11821	21.8
203.14484	9.5
209.11813	71.9
221.11819	8.5
223.13541	9.4
247.13449	12.2
249.14966	19.8
265.14401	25.9
287.16409	19.4
305.17453	46.1
323.15213	24.1
323.18558	100.0
324.19199	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.3
59.01373	14.0
61.98827	2.4
63.52591	1.7
69.03439	1.7
69.32096	14.2
71.01379	2.2
71.05006	10.8
72.48995	1.7
78.31242	1.8
80.02700	2.8
81.03463	6.2
81.53523	1.6
83.01395	14.0
83.05029	11.5
85.02926	3.5
93.03479	4.1
94.42751	1.7
95.05018	25.2
97.02943	5.4
97.06606	14.7
98.19869	2.8
101.06069	2.4
103.59501	1.6
106.04259	2.5
107.05045	3.0
109.06569	6.3
111.04482	2.7
113.06066	5.1
119.05013	2.1
121.02907	2.8
121.06615	3.2
123.04489	5.2
123.08151	6.6
125.06070	2.5
125.09716	22.0
135.08170	11.8
149.09705	5.9
151.07576	2.6
151.58630	1.5
153.09215	4.0
161.06111	2.2
161.09666	1.8
163.11255	7.5
165.09209	2.0
165.12834	5.4
167.10782	3.2
171.10275	5.3
177.09143	1.9
177.12747	3.2
179.10791	2.2
181.12297	3.2
185.11792	18.1
189.12770	4.7
191.10764	4.8
203.10733	1.9
203.14352	5.7
207.10205	2.6
209.11818	100.0
210.12146	7.7
211.13316	3.2
221.15517	1.9
235.13452	1.9
237.14951	37.0
238.15289	3.4
239.52193	1.9
243.17439	5.8
247.13327	7.1
249.14977	2.2
251.12752	2.3
265.14429	18.2
287.16562	15.8
288.16470	1.8
305.17526	23.3
323.15155	2.2
323.18634	27.9
324.18915	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	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.53473	0.2
51.80532	0.2
58.02974	1.8
59.01360	0.4
65.90275	0.2
69.24117	1.6
81.03458	0.3
84.44010	0.2
87.45185	0.2
95.05006	0.5
96.95992	0.4
97.06615	0.4
98.20667	0.3
101.61916	0.2
104.83408	0.2
107.96435	0.2
109.06575	0.6
119.61211	0.2
128.10812	6.5
129.11143	0.4
130.08734	100.0
131.08234	0.3
131.09082	3.6
149.09769	0.2
165.12839	0.8
166.51254	0.2
172.09843	0.6
278.21048	0.2
322.20200	35.0
323.20581	4.0
325.24289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86901	1.0
58.02952	1.1
59.01370	9.9
67.82831	1.0
69.03450	3.4
71.01375	3.9
71.08389	1.3
72.99313	1.4
75.00861	1.6
80.96508	1.0
85.02934	2.4
87.00879	5.1
90.84011	1.1
90.98571	1.3
93.03450	2.4
97.02950	1.4
99.00881	3.8
101.02470	1.4
102.05612	1.1
111.00866	1.1
113.02374	1.4
119.05011	7.9
128.03505	3.2
129.01909	1.4
130.04247	1.9
131.05022	7.7
133.02940	2.6
134.03729	6.9
135.04100	3.9
138.48016	1.0
144.02054	1.1
145.02901	3.7
145.06578	1.7
146.03616	1.6
146.04623	2.7
147.04488	25.1
148.04893	1.4
149.06052	3.2
150.06424	2.3
157.02928	3.1
157.06619	1.1
158.03673	3.1
159.03177	2.1
159.04492	17.6
160.01666	1.9
161.02431	9.2
161.06042	2.3
163.03973	2.0
173.02428	1.8
173.04639	1.1
173.06050	3.5
174.03221	16.0
175.03989	44.9
175.07573	1.3
176.04376	4.7
177.04097	1.8
177.05565	17.1
187.03876	1.2
187.07605	2.0
188.01233	1.3
189.05548	3.2
190.03210	1.7
191.03473	2.0
191.07018	2.3
192.01205	2.3
193.05040	2.1
194.05347	2.1
201.05568	1.5
202.02675	14.2
203.03490	100.0
204.03839	5.6
205.04979	4.7
206.08215	1.3
217.05037	22.4
218.02850	1.1
218.05362	1.9
219.02939	1.3
219.06618	2.9
221.04395	1.1
233.10294	1.1
234.02193	2.8
235.06111	6.8
235.09654	1.3
247.02451	27.7
248.02780	1.7
261.11218	1.3
262.01859	1.2
263.05603	1.9
268.46729	1.3
279.05087	17.5
305.08548	1.4
313.00665	1.1
323.04568	1.3
323.08630	1.7
324.01721	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	322.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09364	1.0
59.01373	6.9
59.24122	0.8
59.98432	0.8
63.03618	0.9
63.10909	0.8
63.66676	0.8
65.00301	0.9
69.03439	3.8
69.32571	6.1
71.01360	1.5
73.02949	1.3
84.04521	0.9
85.02928	1.1
87.00851	1.2
89.03929	1.6
97.02883	1.0
99.00858	1.4
100.04039	1.2
102.05610	12.9
117.03438	4.0
119.05025	2.5
122.06098	0.9
128.02586	1.6
128.03535	27.0
131.05005	4.0
132.02209	0.9
133.02890	1.1
134.03735	100.0
135.00964	1.0
135.04213	2.7
145.02919	1.8
146.03482	2.1
146.04599	42.7
147.04497	7.6
148.05231	2.2
149.06075	43.0
150.06393	3.6
157.02878	1.1
158.03706	1.5
159.04483	8.9
160.01648	8.2
161.02405	6.3
162.03186	2.9
163.03992	1.4
172.02478	1.7
173.02406	1.2
173.04573	1.3
173.05988	1.1
174.03233	7.5
175.03986	37.5
176.04263	1.3
176.08305	1.1
177.05592	6.8
192.06699	1.5
193.05069	22.7
194.05467	1.2
202.02701	5.3
203.03503	39.7
204.06610	1.8
205.05226	1.2
217.05042	8.2
232.09773	8.2
234.02232	1.2
234.11220	1.4
235.06087	2.8
245.06946	1.5
247.02467	11.8
260.09271	1.8
278.09995	4.3
279.05069	6.6
304.08264	15.0
305.08545	1.9
322.09286	48.5
323.09622	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56074	0.3
59.01374	100.0
60.01713	0.9
64.70329	0.3
69.15966	2.0
69.16386	1.3
71.01376	3.3
77.30825	0.3
84.41000	0.3
85.02944	0.7
89.02430	4.5
95.01418	0.3
98.19860	0.7
101.02425	1.8
113.02464	1.4
119.03478	1.9
145.02904	0.4
173.11823	1.9
179.05611	0.9
286.65759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1705
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03441	7.3
59.01373	13.7
61.98824	2.0
69.03450	3.5
70.17286	2.8
70.17659	4.4
71.01404	2.5
71.05019	11.8
73.02929	1.9
80.02663	2.8
81.03458	8.1
83.05004	3.5
93.03440	17.4
95.01371	1.7
95.05026	62.7
96.05361	2.5
96.95982	2.4
97.06584	10.6
99.64904	1.4
107.05025	13.2
108.02182	2.2
109.02939	1.6
109.06585	18.1
111.04529	8.7
119.67854	1.5
121.02960	8.9
121.06602	3.9
122.03776	3.5
123.04524	4.9
123.08181	12.5
125.09716	59.8
125.10631	3.0
126.10022	3.3
133.06601	1.7
133.55899	1.4
135.04527	7.7
135.08157	2.6
136.05328	3.1
137.06081	2.7
144.74065	1.4
146.27403	1.6
149.06094	9.6
151.07637	100.0
152.07950	4.1
161.09709	2.7
163.11464	1.4
167.07156	8.6
167.10832	2.7
169.08621	2.5
171.10286	11.7
177.12787	3.7
178.06325	6.3
183.86655	1.6
185.11790	20.8
205.12318	5.5
219.10231	2.2
219.13786	3.4
221.11777	4.4
223.09879	1.7
223.13391	10.0
235.13365	3.0
237.11252	3.1
237.15086	2.6
247.13341	5.3
249.11275	2.9
263.12866	6.4
265.14413	30.9
266.14795	3.5
277.18076	4.2
279.16098	1.8
285.14902	1.9
293.17572	3.6
303.16016	13.7
321.17059	33.2
322.17517	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	322.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98277	1.0
59.01382	7.6
59.64537	0.9
69.03452	1.8
69.56565	2.2
69.56974	4.1
71.01373	5.0
85.02957	2.3
87.00881	1.3
93.03492	5.6
98.20623	1.9
99.00875	8.0
101.02429	1.1
102.05609	40.4
106.38336	1.0
117.03439	5.4
119.05037	7.2
128.03545	53.7
130.04196	1.3
131.05037	3.1
132.02168	2.0
132.05797	1.9
133.02959	3.3
133.06566	2.4
134.03738	50.8
135.04492	1.7
143.05023	2.8
145.02951	2.2
145.06595	5.4
146.04596	100.0
147.04491	21.1
147.08173	1.3
148.05298	1.4
149.06082	26.3
157.06540	2.4
159.03191	1.4
159.04495	3.4
160.01668	10.4
160.05299	3.0
161.02382	2.7
161.06065	3.5
163.04031	2.3
163.07645	1.1
169.06596	6.0
171.04538	1.3
172.02495	2.7
173.04718	1.5
173.06079	5.0
175.02539	2.0
175.03987	27.2
175.07573	3.1
177.05559	5.7
187.04019	1.3
187.07637	13.0
189.05600	9.7
191.07115	5.5
193.05043	18.6
194.05470	1.0
201.05566	6.2
203.03467	5.5
205.05055	7.0
217.05095	1.8
219.06561	9.3
221.04510	8.4
231.06506	1.2
232.09795	5.0
235.06094	2.4
238.70404	0.9
247.02448	1.3
261.07697	1.6
263.05588	11.9
278.10306	4.5
279.08618	1.5
293.08365	1.1
304.08218	11.3
305.08691	1.2
322.09280	34.8
323.04556	1.0
323.07919	4.8
323.13416	2.3
338.39029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.4
59.91595	0.7
62.89194	0.6
65.00317	1.0
67.45851	0.7
71.05035	1.0
82.56833	0.6
83.04996	0.6
87.00872	0.9
93.03484	1.5
95.05029	1.9
96.96011	1.9
100.47033	0.7
109.02942	0.7
112.98840	0.6
114.20242	0.8
133.06572	0.7
145.02948	0.9
146.03735	2.0
149.06029	0.9
159.04512	2.7
161.02452	2.2
161.06078	1.6
162.03093	1.2
163.03923	0.8
172.05264	6.0
173.02419	1.8
173.06056	2.6
174.03206	32.9
174.06833	1.4
175.03850	4.5
175.07602	2.2
177.05501	0.8
184.05331	1.5
185.06041	4.1
186.06805	2.6
187.03995	47.7
187.07597	12.0
188.04726	7.8
189.05531	3.4
189.09232	1.0
190.06209	0.8
193.05029	1.2
197.11778	0.7
199.04037	1.8
200.04790	14.9
201.05484	4.5
201.09186	1.8
202.02711	1.3
202.06349	29.2
203.07124	100.0
204.04279	0.9
204.07516	6.7
205.05034	1.6
208.05354	1.5
209.11795	1.9
213.09175	1.8
214.06262	1.7
215.07094	31.8
216.07730	3.7
217.05040	1.9
217.08641	6.3
218.05739	0.9
223.07622	2.9
228.04295	1.6
229.04984	1.0
229.08673	6.9
230.09215	1.4
231.06601	6.1
232.03714	1.0
232.07318	1.6
239.07162	1.0
245.08197	1.6
246.08943	14.3
247.09526	2.9
249.04012	0.9
257.08145	6.1
259.09695	2.9
261.11316	10.7
262.11603	1.1
274.08450	11.1
275.08984	1.1
289.10764	8.2
291.12408	2.7
303.15967	3.3
307.11948	1.9
321.03711	1.0
321.13431	10.8
321.17017	4.7
322.13705	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	319.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
59.46062	0.4
65.30023	0.4
71.01366	0.7
71.54330	0.9
72.99306	100.0
73.99651	0.9
75.00874	0.9
82.60668	0.4
87.00880	1.4
91.75352	0.5
96.96006	0.5
101.02451	0.6
105.01932	41.2
106.02263	1.2
107.60689	0.4
133.01456	0.5
161.00916	12.3
169.49710	0.5
219.55351	0.5
256.04199	0.6
319.17731	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14445	0.9
57.03432	0.9
59.01379	15.5
66.03476	1.5
67.81175	0.9
69.03448	1.1
71.01377	3.6
71.53619	1.6
80.05065	3.1
80.96494	0.9
82.02971	3.5
82.06615	3.4
83.01382	1.0
84.04548	10.7
85.02951	2.4
85.90548	0.9
86.02465	2.9
87.00873	1.6
89.02464	1.6
92.05061	22.4
93.03450	1.7
94.02980	4.4
95.03767	3.0
95.05009	3.0
96.00935	2.2
96.04558	6.9
97.01707	8.2
97.02979	1.1
99.00861	1.2
99.04534	1.4
101.02426	1.2
102.05608	13.8
107.03784	1.5
108.04530	1.4
110.02438	1.1
110.06113	53.9
111.06468	1.8
112.04038	3.5
113.02473	1.6
119.05053	1.4
121.05357	1.1
122.06120	51.7
123.03281	3.1
124.04040	6.3
128.03540	17.7
134.03738	13.6
136.04033	44.6
137.04819	1.2
146.04594	32.5
147.04575	1.3
149.06076	9.0
154.05116	1.6
160.01605	3.0
161.02437	1.1
161.04628	1.3
161.06035	1.2
163.02731	1.5
163.04015	1.5
169.03751	0.9
173.04485	1.5
173.06050	1.2
174.03146	1.1
175.04047	7.6
181.03824	7.4
189.05530	2.1
193.05023	6.4
203.11884	21.3
204.12190	1.5
215.11935	8.2
217.05106	3.0
227.03516	1.3
229.06168	4.3
232.09750	1.5
235.11774	1.3
243.07954	1.3
245.04610	1.8
247.10851	39.6
248.11243	2.4
259.10846	48.7
260.11154	3.2
277.11993	4.8
279.14465	1.9
303.09732	3.5
304.08292	3.5
321.10889	100.0
322.09384	10.4
322.12140	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	321.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.8
71.02634	3.2
71.02953	2.8
87.00865	4.7
93.03439	3.9
95.05096	2.2
96.95994	5.8
105.80298	2.0
117.03478	1.8
121.02932	6.1
122.74825	2.2
135.04417	3.2
146.03709	2.5
149.06081	2.2
159.04462	8.4
161.02400	5.6
161.06137	2.4
162.03206	2.5
163.03951	7.2
167.08641	2.1
171.04547	4.6
172.05276	25.6
173.02480	2.8
173.06046	11.1
174.03229	28.2
174.06773	2.8
175.03900	5.9
175.07632	4.8
183.04474	10.0
183.08113	2.7
184.05058	1.9
185.06003	11.3
186.06784	10.1
187.02289	4.4
187.03993	85.7
187.07582	28.6
188.04663	13.6
189.01814	2.9
189.05531	8.2
193.04985	4.7
194.05775	4.3
195.08047	3.4
196.05301	7.7
197.05930	3.0
199.03999	10.1
199.07573	4.7
200.04767	54.5
201.05479	17.6
201.09167	12.3
202.02652	3.9
202.04541	4.2
202.06337	59.4
203.03343	2.8
203.07129	67.3
204.07434	4.9
211.04027	13.9
211.07631	22.6
213.01915	2.9
213.05602	9.4
213.09241	11.2
214.06302	9.0
215.07104	55.2
216.07722	13.0
217.05023	3.2
217.08662	35.0
218.09128	2.3
223.07681	4.0
224.04726	3.3
227.03412	4.5
228.04266	43.6
229.05067	20.6
229.08629	39.1
230.05574	3.8
230.09155	6.0
231.06577	15.7
231.10289	3.9
232.03929	2.7
232.07256	3.4
232.95135	2.3
233.07985	2.8
235.09782	2.4
239.07104	6.4
241.08795	3.0
243.10204	4.8
245.08131	6.9
246.08942	35.2
247.09624	4.6
257.08191	13.5
259.09711	6.5
260.06882	10.7
261.11292	89.1
262.11584	7.3
271.09653	4.6
274.08371	3.3
289.10794	79.1
290.11200	8.2
291.12296	18.4
307.11862	5.7
321.09595	4.8
321.13400	100.0
322.13663	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	317.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01970	0.4
59.01383	0.7
70.91120	0.6
70.91450	0.7
84.04532	0.5
87.00893	0.9
91.13071	0.4
93.03454	1.2
94.03023	0.5
94.06597	0.6
95.37533	0.4
104.05065	1.6
118.02995	0.9
122.06107	5.7
124.04025	0.5
124.07689	4.6
130.02988	0.4
132.04491	0.7
136.07664	12.0
144.74060	0.4
145.02873	0.5
149.04799	0.5
150.05583	1.9
164.03531	2.2
173.04539	1.2
181.03725	1.0
185.07234	2.3
196.07645	1.5
198.04297	1.7
199.13345	0.9
200.07219	0.5
200.10788	0.9
203.08226	2.1
212.10803	1.4
215.11795	0.5
225.06599	2.4
226.07449	1.7
227.08234	8.1
227.11772	1.0
228.08633	0.7
229.13438	0.6
230.11832	1.0
237.10335	1.4
239.08183	3.3
240.09015	6.2
241.09283	0.5
243.11337	5.0
244.08447	0.5
255.11374	28.6
256.11768	2.9
258.09641	0.8
272.08072	0.8
273.12427	100.0
274.12759	9.4
317.11368	13.2
317.19669	1.2
318.11630	1.0
325.86160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
57.61269	0.6
59.01369	2.0
60.34280	0.6
62.68352	0.5
63.01152	0.6
65.00329	1.6
69.62624	3.1
70.96915	0.6
71.01390	0.8
73.02948	0.6
74.33620	0.7
87.00882	0.8
87.64167	0.5
93.03456	1.0
108.02158	2.5
109.02950	100.0
110.00097	11.4
110.03287	3.6
111.81567	0.5
113.02438	2.4
120.99300	1.0
122.00117	0.6
124.01680	0.6
136.54073	0.6
136.98782	1.4
137.02431	2.5
137.99596	5.7
139.00415	1.3
140.01146	1.7
148.98817	3.3
155.03467	1.0
165.99068	53.9
166.99553	4.0
168.00603	1.1
173.04578	1.4
181.01416	45.0
182.01776	1.6
189.09108	0.8
193.98552	10.8
194.99174	1.9
199.02464	2.3
209.00902	82.3
210.01236	5.4
214.06418	0.9
214.26122	0.6
247.07251	1.2
301.00180	0.6
301.87091	0.7
319.04648	2.0
319.08371	1.3
319.14282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
59.18073	0.4
65.00330	1.1
68.99796	0.5
69.19176	4.0
72.99292	0.7
82.00592	0.9
82.01312	0.4
86.17483	0.4
87.00880	0.7
88.32902	0.4
91.21918	0.4
93.03457	0.6
95.54835	0.5
108.16373	0.4
110.00093	26.5
111.00414	0.8
122.00085	0.6
122.06110	0.4
124.98807	0.9
125.99649	0.4
136.98837	0.4
137.02415	0.9
137.99573	3.3
140.01056	0.5
141.99051	0.8
147.04494	1.6
152.98311	0.7
165.99068	100.0
166.99417	3.4
170.46344	0.5
172.05301	0.4
174.03227	7.7
175.03864	1.3
181.01421	49.2
182.01741	2.0
187.03978	0.4
187.07614	0.6
189.05627	2.0
189.07234	0.5
189.09250	0.9
199.02480	0.9
203.07175	3.3
213.09280	0.5
215.07224	0.5
216.04306	0.7
231.06604	2.0
231.10229	1.2
260.03259	0.6
275.09409	1.5
319.08264	2.7
319.12262	1.0
319.21115	0.7
328.99677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36647	0.6
55.64155	0.7
59.01371	1.7
59.46716	0.5
65.00301	1.4
68.69288	0.6
68.99797	0.7
69.74001	1.6
69.74413	1.8
71.01378	0.8
72.99331	0.9
81.03456	0.6
85.02952	1.0
87.00852	0.6
93.03453	1.3
95.46454	0.6
96.99274	0.9
98.19949	0.8
101.02419	1.1
109.02917	1.2
110.00094	24.8
113.02464	0.8
122.00090	0.9
125.99563	0.7
129.03447	0.9
130.04234	0.6
130.63937	0.6
133.48396	0.6
134.06105	0.9
136.98795	1.2
137.99611	3.5
139.00427	0.8
140.01158	0.6
141.99083	0.9
145.02914	3.3
146.03703	2.9
147.04509	7.3
147.66582	0.7
148.05238	1.0
149.06085	10.1
159.04501	4.9
161.02446	4.0
163.04051	1.0
163.07634	0.7
165.99068	100.0
166.99457	4.9
171.10271	0.8
172.05260	0.6
173.06046	0.9
174.03224	22.2
174.06912	0.6
175.03999	9.1
177.09196	1.5
181.01419	55.1
182.01782	2.1
183.04454	0.8
185.05931	1.2
187.03961	2.8
187.07654	1.6
188.04800	2.3
189.05542	5.5
189.07024	0.7
189.07803	0.7
189.09204	5.0
191.03580	1.7
193.05051	9.2
197.06042	1.8
199.02408	1.5
201.05557	2.2
203.03578	0.7
203.07120	9.4
203.10867	0.6
204.04021	0.7
205.08592	0.7
213.09203	5.6
214.06296	1.1
215.07053	0.9
216.04300	1.0
217.04947	0.8
225.09227	0.6
229.08667	1.0
231.06728	3.6
231.10187	16.7
232.10672	1.6
233.08212	1.6
235.02449	1.3
243.10329	2.0
245.12933	0.7
250.04323	0.6
257.12827	1.2
260.03210	0.6
275.09290	6.9
275.12686	1.2
276.09625	0.7
289.06213	0.6
319.04651	1.4
319.08267	6.6
319.12704	4.5
319.21240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99699	0.5
59.01365	1.6
61.98820	0.6
65.00321	1.8
68.62139	0.5
68.99797	0.7
70.18040	2.2
71.39151	0.5
87.00838	0.6
92.96318	0.5
93.03421	0.7
95.01363	0.5
95.72158	0.5
97.02965	0.5
98.19869	0.6
101.20147	0.6
105.21188	0.5
111.00886	1.2
117.03458	11.1
119.05015	3.5
130.04213	1.2
131.05003	1.2
133.02931	1.8
141.03447	0.9
143.05006	6.2
145.02937	6.2
146.03271	0.7
147.04468	1.2
155.04990	2.4
157.02824	0.8
158.03764	0.7
159.04491	8.2
161.02444	2.3
169.02921	0.8
171.04498	14.4
172.04895	1.1
173.02391	1.6
173.93149	0.5
174.03087	0.6
175.03984	1.0
183.04524	1.1
185.02432	1.1
187.03995	9.2
189.02060	0.7
189.05591	0.8
197.02419	2.2
198.03038	0.8
199.03957	4.1
201.01883	0.6
201.05502	2.0
213.01935	0.9
214.02597	0.8
215.03481	9.0
225.01901	2.5
227.03378	1.0
241.01385	0.9
242.02252	4.3
243.02916	9.4
270.01682	2.3
271.02448	100.0
272.02802	9.3
299.01959	14.2
300.02173	1.2
302.03281	1.4
317.02646	3.9
317.06076	1.1
317.14020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01377	10.1
62.86041	0.8
63.68188	0.9
69.03450	0.8
69.52036	2.6
69.52466	2.6
71.01382	6.0
72.99307	1.1
85.02957	2.8
87.00885	2.8
89.02436	4.3
91.05499	0.9
91.60555	0.8
93.03440	1.9
99.04517	1.4
101.02444	2.5
108.04527	2.8
109.02995	0.9
111.04510	1.0
113.02434	1.6
123.04582	0.9
137.02399	0.9
138.05675	1.1
138.60335	0.8
145.02975	1.1
147.04530	3.7
149.06038	1.0
155.03642	0.7
155.05025	4.3
159.04494	9.0
160.03947	1.0
163.04001	1.2
164.04756	1.4
171.04344	0.8
173.04535	2.7
173.06003	2.1
175.04007	1.6
177.04260	0.9
177.53992	0.7
182.03696	6.5
183.04492	37.8
184.04832	2.2
185.06093	0.9
185.08154	1.0
185.55495	1.9
187.04042	1.8
189.01741	0.8
190.02618	2.2
191.05589	1.0
192.04291	0.9
193.04781	0.9
196.20735	1.0
199.04080	1.0
200.04713	0.8
201.05559	4.7
203.03543	4.7
203.07103	3.3
207.55009	1.9
209.03215	1.1
210.03119	2.0
211.03989	84.6
212.04401	7.0
213.05437	1.8
214.02722	2.4
215.03427	1.3
217.09839	1.3
227.03473	12.9
228.04256	18.4
229.05034	100.0
229.54395	1.6
230.05437	9.7
231.06514	1.4
245.04626	1.5
255.02979	6.7
256.03510	0.9
256.09744	0.8
273.04019	15.0
273.07230	2.1
274.04514	2.3
286.09216	0.8
299.10498	2.1
317.07004	4.8
317.12051	4.5
317.15649	1.5
318.12067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0664
Annotation	1,7-Dihydroxy-2,3,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
59.01353	1.2
62.98566	0.8
65.00322	6.2
69.27795	6.2
79.37502	0.8
85.63427	0.8
88.10698	0.8
93.03464	0.8
96.99287	1.0
97.06583	0.8
101.80612	0.8
107.91342	0.7
110.00115	1.4
111.00876	17.0
117.03446	2.0
119.05036	1.2
120.99313	1.0
136.98798	9.3
139.00369	34.4
140.00739	1.2
143.04967	1.1
145.02963	1.7
152.94221	0.8
155.04942	1.4
157.02953	0.8
157.58890	0.9
159.04469	2.5
164.98288	18.3
165.99065	8.7
166.99864	7.3
168.03764	0.9
169.64491	0.9
171.04477	3.2
187.03967	5.8
187.11597	6.6
189.01855	1.2
191.03484	0.9
192.97882	0.9
193.98573	5.6
199.03952	1.4
215.03476	11.4
219.02959	1.4
227.03481	3.2
231.02826	1.7
237.83768	0.9
243.02968	3.6
253.01347	1.2
257.12079	1.4
258.05261	0.9
259.02408	9.6
270.01712	1.1
271.02441	26.7
272.02829	2.1
273.07550	1.1
273.12320	1.2
285.03952	1.5
287.01953	95.4
288.02234	6.9
290.49417	0.9
302.04288	88.2
303.04620	8.0
317.06622	100.0
318.06909	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03434	0.8
59.01379	4.2
61.98820	2.7
67.01859	0.7
69.29228	5.5
71.01376	4.9
73.02945	1.3
78.95904	1.7
81.03444	1.6
83.01379	1.8
85.02950	3.9
87.00864	1.6
88.04063	1.0
93.03455	3.0
95.01383	1.7
96.00925	0.7
96.96028	0.8
96.96961	1.2
97.02927	1.4
98.02477	0.9
99.00911	0.9
101.02418	1.4
103.49966	0.6
108.02167	100.0
109.02975	36.0
110.03317	1.0
111.04495	2.8
112.04074	1.3
113.02471	1.5
113.03563	1.1
118.98077	1.3
121.02934	1.2
122.06158	0.8
123.00900	1.4
123.04522	3.8
124.04018	0.7
125.02478	1.7
135.00897	1.1
135.04495	1.1
136.04045	1.3
137.02432	0.8
139.04066	0.7
141.01961	0.9
141.05563	22.8
147.04626	0.9
149.44960	0.9
151.00404	2.1
151.03967	2.0
152.01144	67.8
153.01927	45.6
154.02289	1.9
154.05083	1.1
162.52060	0.6
163.03979	1.8
165.01923	2.5
165.05554	1.2
166.82266	0.7
167.03517	1.5
173.03308	0.6
173.04544	4.1
177.01880	1.1
184.06116	2.7
190.99936	0.9
191.05568	0.9
195.02921	0.8
207.02531	0.8
295.86819	0.7
300.02747	1.9
315.07236	87.7
316.07544	7.0
316.10571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.9
61.98818	1.1
66.03453	1.4
69.03433	1.3
71.01384	2.5
71.53673	1.1
72.12257	1.1
73.04073	6.0
82.02989	11.1
83.01376	4.6
83.05013	1.7
84.00906	8.7
85.02939	4.4
86.06108	2.0
87.00873	5.8
93.03445	5.6
94.02969	3.4
96.04551	23.0
98.02477	11.2
99.00871	2.1
99.31449	1.0
100.04051	3.4
107.05029	1.1
109.02952	1.7
110.02438	2.2
111.00892	1.2
111.04443	1.3
112.04047	12.9
113.02404	1.0
114.05618	2.7
114.09182	1.5
118.11214	1.2
119.05013	1.2
122.02471	6.1
128.07166	2.0
130.08737	86.2
130.17656	1.3
131.09039	2.8
137.02425	4.4
138.03214	1.6
139.00349	2.1
139.04004	1.4
139.05072	2.5
140.03505	4.3
140.07162	4.1
141.10342	3.1
143.11897	74.2
144.12273	2.2
147.04541	1.8
152.01077	1.3
153.01926	2.7
153.05565	3.1
154.06171	1.2
155.03435	1.5
155.04610	1.2
156.03006	10.9
159.04510	2.2
163.04057	1.8
166.01456	18.7
168.24980	1.2
169.09837	2.5
173.02428	1.3
173.04524	7.2
173.05939	1.9
178.03851	3.5
179.11894	3.7
182.02223	2.0
182.78419	1.3
184.02481	5.8
187.10887	10.0
191.05603	14.5
199.03822	1.3
209.12927	27.8
210.44754	1.1
212.06874	1.3
223.10632	1.2
225.12415	7.1
225.81412	1.3
227.03523	1.2
227.09175	1.6
227.14072	1.7
253.11905	45.7
254.12270	4.3
269.11414	41.2
269.14337	1.9
270.11673	3.1
271.13086	10.0
272.13086	1.2
279.09747	2.3
297.10873	31.0
300.02670	3.5
315.05115	4.0
315.11951	100.0
316.12039	6.3
327.12686	1.5
337.07321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67837	0.5
59.01310	2.2
63.80335	0.6
63.90816	0.5
65.49425	0.5
67.01849	0.6
68.99754	0.5
69.03362	0.6
71.01325	0.8
71.54024	0.5
73.02903	0.5
77.17794	0.5
83.04924	0.6
87.00825	1.0
93.03458	3.4
94.71136	0.6
97.06509	1.6
108.02070	0.7
110.00048	0.8
119.04935	0.9
121.02855	0.9
133.02879	0.7
135.00784	0.8
137.02330	1.1
141.07388	0.6
145.02844	0.6
146.03613	1.1
147.04498	3.1
148.01660	6.3
148.05222	0.7
149.02467	2.9
149.05945	0.6
151.00270	0.9
155.03400	0.9
157.02948	0.6
159.04451	1.4
161.02364	1.0
163.00406	2.6
163.03867	1.2
164.04710	1.3
165.96840	0.6
170.02879	1.2
171.04390	1.0
172.05255	2.7
173.03368	0.5
173.04547	5.7
177.54053	0.7
179.07034	1.7
183.04492	1.3
183.10214	0.8
185.05283	2.9
186.03282	0.6
187.03929	1.3
189.01863	0.9
190.99855	6.1
191.03362	1.1
191.05508	1.6
192.00366	0.7
197.05969	1.0
198.03111	0.8
199.03970	3.9
200.04688	1.6
202.63995	0.6
203.03442	0.8
207.04701	2.2
207.06453	0.7
211.03915	2.0
211.07439	1.1
214.23730	0.5
215.03368	1.6
216.04129	2.4
226.02664	1.7
227.03510	5.5
227.10765	1.6
227.36057	0.5
228.04105	0.9
229.01503	0.6
229.04202	3.5
239.03383	0.7
243.02937	3.8
244.03642	2.4
254.02271	0.7
255.02893	4.7
256.03745	9.9
269.32413	0.6
271.02505	6.9
271.10580	1.6
272.02982	1.4
282.01678	0.7
283.02359	2.0
299.01917	7.8
300.02722	100.0
301.03098	9.2
315.05093	73.6
315.08270	2.4
315.14627	0.9
315.18024	1.0
316.05426	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0509
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01376	2.2
59.74635	0.4
60.64772	0.4
65.00323	3.8
69.23589	4.4
71.01383	1.0
77.72243	0.4
78.97946	0.4
87.00883	0.8
89.02409	1.4
93.76156	0.5
97.06562	1.1
108.02137	1.8
110.00095	3.3
110.03728	0.7
111.00166	0.7
111.00877	9.6
121.02879	0.5
123.00847	0.6
124.91741	0.5
132.02139	1.0
133.02873	0.8
136.01593	0.6
136.98793	15.2
138.99332	0.8
139.00363	14.9
140.00748	0.6
145.02882	1.6
148.01642	4.1
149.02356	0.7
151.00359	1.6
153.05533	0.5
154.04176	0.7
159.04491	0.6
161.02449	0.8
163.00334	1.1
164.01097	1.4
164.98192	0.9
165.99039	3.4
166.99617	0.5
171.10271	0.6
173.02402	0.9
177.05643	0.5
178.99855	0.6
182.03712	1.1
183.04379	0.8
184.05287	0.5
185.05923	0.5
190.99800	2.1
192.00613	24.7
193.00885	1.6
198.03189	1.3
199.03958	1.5
200.04697	0.9
201.02008	0.8
202.02557	0.6
203.03455	0.9
207.03050	1.0
210.03082	1.0
211.03926	1.1
213.01904	0.8
215.03481	1.3
216.04185	1.0
218.02049	0.6
226.02643	1.5
227.03416	3.2
228.04163	1.5
229.01443	1.4
230.02124	0.8
230.09264	0.5
232.03595	0.6
239.03456	0.6
243.02888	7.2
243.10381	0.6
244.03589	1.0
254.02173	6.2
255.02930	15.9
256.03561	2.1
258.87506	0.5
271.02441	30.4
272.02933	3.4
282.01669	22.0
283.02203	3.8
298.04788	1.1
299.01889	1.2
300.02716	89.2
301.03040	6.9
315.05072	100.0
315.15643	1.7
316.05417	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00266	0.6
71.14109	1.1
71.14458	0.4
96.75571	0.5
119.01328	0.5
133.02924	0.4
135.00797	0.7
144.73741	0.4
148.01649	5.1
149.02325	0.6
149.99443	0.5
151.00221	0.5
161.99438	0.6
163.00354	3.5
171.04404	1.5
172.05197	1.3
179.51633	0.6
183.04482	0.8
190.98236	0.8
190.99846	9.5
192.00517	1.9
199.04012	2.6
200.04565	1.4
210.03123	0.8
211.03926	1.3
215.03455	1.1
216.04144	1.6
226.02638	1.7
227.03474	5.3
228.04233	1.0
239.03441	0.7
243.02966	2.8
244.03674	1.9
250.55850	0.5
253.01474	0.6
255.03024	5.1
256.03729	8.4
257.03934	0.7
271.02420	5.8
272.02917	1.3
283.02408	1.9
299.01962	8.7
300.02713	71.4
301.03055	4.9
315.05081	100.0
316.05426	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	315.0509
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
65.00314	0.7
68.59387	0.2
71.30679	0.5
72.55962	0.2
79.26441	0.2
91.01891	0.3
96.64898	0.2
107.01372	0.5
108.02155	2.1
135.00885	1.0
148.01665	3.0
151.00383	0.9
163.00389	1.4
164.01158	1.1
171.04506	0.3
182.03616	0.2
185.10014	0.3
187.03918	0.4
190.99878	1.5
192.00462	0.8
193.11116	0.2
198.03246	0.2
199.03925	1.6
211.04005	0.6
215.03484	0.8
216.04156	0.6
226.02681	1.8
227.03452	3.4
228.04024	0.3
243.02953	11.9
244.03419	0.9
254.02182	2.5
255.02959	26.1
256.03470	2.8
271.02444	57.8
272.02853	5.8
283.02365	0.4
299.02017	2.3
300.02707	100.0
301.00220	0.2
301.03049	9.5
315.05063	57.6
316.05402	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	315.0507
Annotation	6-Hydroxyluteolin 4'-methyl ether
Peak:m/z	Relative Intensity
58.20512	0.9
65.00320	6.4
71.54515	1.3
77.32125	0.9
104.72753	0.9
110.00090	6.5
111.00858	2.6
123.04504	1.0
125.02464	5.7
132.02098	1.1
133.02931	3.1
136.98805	6.2
139.00362	4.5
148.01656	2.6
151.00388	1.1
153.01985	1.3
155.05005	4.2
157.02956	8.1
159.04512	1.8
161.02470	1.3
163.00406	1.8
165.99059	3.1
166.99773	1.3
171.04453	3.0
174.03256	1.5
175.34624	0.9
183.04482	3.9
187.04019	6.2
190.99864	3.7
192.00618	4.9
198.03239	1.6
199.04004	5.2
200.04819	7.0
202.02699	2.8
203.03494	6.1
211.03915	4.6
215.03445	3.1
216.04251	12.3
217.04552	1.0
226.02684	2.4
227.03452	12.8
228.04257	5.3
231.02951	3.3
232.03738	27.7
233.04063	1.9
243.02928	10.8
244.03685	4.3
247.06151	1.1
255.02968	20.6
256.03717	17.6
257.04150	1.4
271.02496	19.0
272.03226	15.4
273.03683	1.4
282.01688	4.8
283.02475	7.9
284.02881	1.4
286.04810	2.0
287.05542	6.8
299.02008	3.5
300.02728	99.9
301.02972	6.8
315.05084	100.0
316.05493	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79139	0.3
59.01413	0.5
60.13770	0.3
65.00364	0.7
68.26294	0.4
69.68179	0.8
69.68584	1.3
73.62479	0.4
74.37285	0.3
90.49583	0.4
93.03542	1.0
106.00639	0.6
112.55231	0.3
117.03531	0.7
121.02970	0.5
122.00198	0.3
132.02148	4.5
133.03008	0.8
134.00101	0.5
136.98828	0.5
137.02431	0.4
137.96378	0.3
141.03539	1.5
143.05022	4.2
155.05008	3.5
158.03745	0.7
160.98878	0.8
161.99583	3.8
163.00392	1.4
167.05058	1.6
169.03020	0.5
171.04462	2.3
172.05119	0.4
173.06053	0.6
182.03758	0.8
183.04512	4.6
184.04807	0.5
185.02425	0.5
186.03317	0.5
187.03979	0.7
187.07690	0.7
189.99144	1.2
195.04535	0.9
196.05145	0.4
198.03258	1.6
199.03984	5.7
200.01154	0.6
200.04385	0.4
205.01387	0.7
209.02475	0.4
210.03084	0.4
211.03989	8.0
212.04439	0.6
213.01953	0.5
214.02657	0.5
215.07166	0.8
216.08003	0.4
224.04735	0.7
226.02660	0.8
227.03482	22.8
228.03842	1.1
237.01924	1.0
239.03456	9.1
239.05727	0.7
240.03859	0.7
241.01500	0.4
242.02196	0.6
252.04327	0.5
253.05128	0.5
254.02180	1.8
255.02960	22.7
256.03363	2.0
265.01416	0.5
266.02127	0.4
267.03000	0.7
269.00827	0.6
269.04294	0.4
270.01624	3.0
280.03769	2.4
282.01672	5.3
283.02454	91.2
284.02759	7.7
285.04065	1.5
297.03986	5.7
298.01392	3.3
298.04779	56.1
299.01962	0.8
299.05060	5.6
313.03699	6.6
313.07123	100.0
314.04041	1.0
314.07468	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84739	0.6
65.00325	1.7
69.34978	5.6
75.15072	0.6
102.51901	0.6
117.39545	0.7
119.01418	1.3
132.02151	1.2
134.22302	0.7
136.98856	0.8
140.70860	0.6
142.04248	1.4
145.02956	1.2
147.00829	1.4
148.01660	1.3
155.05032	1.3
157.02953	1.7
158.03705	1.9
160.00386	0.8
161.02425	0.7
169.02943	1.5
170.03740	1.2
171.04536	5.0
174.03195	1.1
175.00372	2.6
182.03741	0.8
183.04457	5.1
185.02415	1.9
186.03197	3.3
187.03784	0.8
197.02441	2.1
198.03188	8.0
199.03993	9.4
200.01143	3.5
200.04315	1.2
201.01834	1.3
202.02707	1.7
211.03986	12.7
213.01912	2.1
214.02696	4.7
226.02640	3.3
227.03482	23.8
228.03911	1.2
239.03471	5.5
241.01561	3.5
242.02025	3.2
254.02202	1.7
255.02953	57.2
256.03302	5.6
269.00970	2.5
269.04559	1.7
270.01672	21.4
270.05270	5.7
270.08075	1.0
271.02121	2.0
281.00873	1.0
282.01617	1.0
283.02444	51.0
284.02859	4.2
285.04028	10.1
286.04422	0.9
297.00568	0.9
297.03976	1.4
298.01239	22.2
298.04794	99.9
299.01596	2.3
299.05161	10.3
313.03516	34.3
313.07169	100.0
314.03857	3.3
314.07498	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0714
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01372	1.9
61.98840	2.1
65.00316	2.8
71.54157	1.0
108.02176	1.1
109.02948	1.3
119.01376	3.3
119.26664	0.9
121.02907	1.8
132.02145	1.6
133.02933	3.0
135.00867	1.8
136.98775	1.8
143.05019	1.5
145.02921	1.7
147.00861	0.8
154.04289	1.0
158.03668	2.2
159.04472	2.1
161.99538	1.1
163.00317	2.0
164.98245	1.3
165.72777	0.9
165.99077	1.0
169.02919	1.1
170.03705	1.8
171.04491	3.7
173.02356	1.2
174.03046	0.9
183.04514	6.5
185.02460	2.7
186.03214	4.4
187.03983	4.4
197.02438	2.4
198.03175	8.6
199.03963	6.0
200.01175	5.3
200.76675	0.9
201.01816	2.4
202.02614	1.5
211.04054	4.4
211.13353	1.1
212.13730	2.1
213.01915	3.2
213.13916	0.8
214.02620	5.2
215.03426	2.8
225.01917	1.9
226.02721	4.7
227.03473	31.3
227.05725	1.7
228.03825	2.0
239.03499	1.9
240.03973	1.1
241.01460	4.6
242.02177	6.3
243.02892	5.0
253.01645	0.8
253.13341	1.1
255.02959	59.2
256.03333	6.0
267.02872	1.7
268.03864	2.1
269.00873	3.4
269.04437	5.0
270.01654	22.5
270.05249	19.7
271.02426	15.3
271.05380	1.8
281.12976	1.1
282.01633	6.7
283.02399	14.2
283.06033	5.1
284.02905	1.0
284.06876	1.0
285.04019	9.6
285.07230	1.6
294.21497	5.1
295.21796	6.1
296.03128	1.6
297.00836	1.5
297.03961	4.8
298.01141	31.0
298.04758	73.8
299.01840	24.1
299.05161	7.3
313.03461	39.0
313.07117	100.0
313.10611	4.5
313.23627	1.4
314.04187	29.9
314.07556	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	7-Ethoxy-3,3',4'-trihydroxyflavone
Peak:m/z	Relative Intensity
65.00321	2.8
71.54103	1.2
74.76697	0.6
79.06816	0.5
89.52940	0.6
90.04603	0.6
119.01384	1.4
121.02837	0.7
123.05962	0.6
132.02164	1.6
133.02953	1.0
136.98770	1.2
141.03450	0.7
142.04231	1.2
145.02957	1.3
147.00827	1.6
148.01619	1.8
149.99539	0.5
157.02966	1.3
158.03723	2.4
161.02388	1.5
167.05031	1.0
169.02956	2.2
170.03734	2.7
171.04488	4.9
172.01649	1.0
173.02345	1.6
174.03181	1.4
175.00301	1.4
182.03665	1.3
183.04535	5.9
185.02379	2.6
186.03233	4.1
187.03838	0.7
197.02446	3.5
198.03230	12.6
199.03989	8.5
200.01122	5.2
200.04413	0.9
201.01830	1.8
201.05568	1.6
202.02661	1.9
211.01953	0.7
211.03996	12.9
212.04419	0.9
213.01851	3.1
214.02696	7.0
215.03072	0.6
216.00543	0.7
225.01906	1.3
226.02728	6.9
227.03502	20.8
228.03770	1.6
239.03447	6.2
240.03954	0.7
241.01401	4.1
242.02176	5.1
253.01297	1.1
254.02113	2.1
255.02977	56.6
256.03256	3.5
268.03726	1.1
269.00903	3.7
269.04135	0.6
270.01648	35.5
270.05194	6.2
271.02103	3.0
282.01364	1.2
283.02466	49.1
284.02866	4.3
285.04056	17.7
286.04437	1.9
297.00360	1.3
297.03955	0.6
298.01160	31.0
298.04758	100.0
299.01569	2.8
299.05109	9.4
313.03476	53.7
313.07129	96.1
314.03812	6.6
314.07510	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.45739	0.7
62.45000	0.5
65.00315	1.5
71.14729	1.0
87.00877	0.7
93.03460	2.1
108.02167	0.7
119.01344	0.8
132.02177	1.5
136.98775	1.2
141.03433	1.2
143.04996	2.0
145.02899	1.0
147.04347	0.8
147.44104	0.6
154.04213	0.7
155.05014	1.6
158.03670	1.1
160.98766	1.6
161.99559	1.3
167.05011	0.8
169.02863	0.8
170.03773	0.9
171.04485	1.5
172.01640	0.8
174.03125	0.7
182.03716	0.7
183.04510	3.1
183.51413	0.6
185.02438	1.3
186.03148	2.8
187.07651	3.0
189.01941	0.6
197.02510	0.7
198.03195	5.1
199.03955	4.9
200.01094	2.0
201.01753	1.2
202.02690	1.2
207.08128	0.7
209.02428	0.7
211.03989	5.7
213.01910	1.9
214.02675	2.6
215.07097	2.7
222.66855	0.6
225.09207	1.5
226.02710	3.9
227.03510	14.4
228.03790	0.6
237.01837	2.1
239.01268	0.9
239.03523	8.1
240.03737	1.0
241.01411	2.3
242.02184	1.7
254.02066	1.8
254.05850	0.9
255.02985	16.9
256.03363	1.8
269.00906	1.5
269.04581	0.7
270.01678	14.1
271.02130	1.6
282.01639	2.3
283.02463	35.3
284.02777	2.8
285.04050	8.7
286.04099	0.9
292.23904	0.7
297.04037	2.2
298.01245	14.0
298.04770	100.0
299.01682	1.6
299.05063	7.6
313.03476	25.2
313.07126	63.5
313.14368	3.0
314.03946	2.3
314.07471	5.8
323.90997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42902	0.2
65.00294	0.7
67.56776	0.3
93.03439	1.4
110.00047	0.3
117.03450	0.4
132.02124	0.7
134.00031	0.4
135.00838	0.3
141.03378	1.1
143.05042	1.9
155.05022	1.9
158.03706	0.3
158.95944	0.3
160.98738	1.8
161.99608	2.0
163.00241	0.4
167.04970	1.8
171.04489	1.8
173.05978	0.6
183.04501	2.8
189.98940	0.6
190.99779	0.4
195.04404	1.2
198.03123	0.7
199.02426	0.3
199.04001	4.2
209.02359	0.4
211.03998	5.4
212.04250	0.7
226.02538	0.4
227.03484	16.3
228.03795	1.1
237.01935	2.3
239.03485	10.6
240.03816	0.9
242.05862	0.7
254.02122	0.9
254.05795	1.5
255.02962	18.2
256.03259	1.7
269.04443	0.5
270.01682	0.5
271.45407	0.3
273.41504	0.3
282.01685	1.6
283.02441	35.5
284.02765	3.4
285.04300	0.3
297.03998	2.4
298.04788	100.0
299.02530	0.3
299.05106	9.7
313.07138	66.4
314.03897	0.5
314.07474	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65238	0.4
59.01360	1.4
65.00310	1.4
70.82513	0.8
75.21770	0.5
76.35757	0.4
87.00852	0.9
87.58102	0.4
88.41515	0.4
97.06599	1.0
108.02187	0.5
111.12716	0.4
119.01366	0.8
120.79538	0.4
121.02930	1.6
137.02426	0.9
139.05499	0.5
143.05014	0.6
143.47639	0.5
145.02946	0.9
147.04465	0.5
148.01521	0.5
149.06068	1.2
155.04945	0.6
157.02937	0.5
158.03665	1.2
159.04453	0.7
161.02328	0.6
167.05023	3.9
168.05276	0.6
169.02972	2.1
170.03677	1.2
171.04480	1.4
172.05380	0.5
173.02434	0.4
180.99504	0.4
182.03613	0.5
183.04498	3.5
185.02359	1.7
186.03183	1.3
187.03995	2.5
187.07617	5.9
193.05118	0.7
195.04439	1.5
195.13858	1.3
197.02388	1.1
198.03152	4.0
199.03906	1.5
200.01071	1.6
201.01859	0.5
201.05533	0.6
202.02766	0.5
202.06305	1.0
211.03987	54.1
212.04298	3.6
213.01903	3.1
214.02640	2.7
215.03552	2.0
215.07103	4.6
216.07771	0.9
225.01909	0.4
225.05540	1.1
225.30637	0.4
226.02614	1.9
226.06343	45.5
227.03461	5.8
227.06656	3.2
229.08688	0.5
237.03979	0.7
239.03458	6.2
241.01352	1.7
242.02156	1.8
243.02873	1.5
247.13499	0.5
253.01276	0.5
254.05841	2.3
255.02962	16.0
256.03311	1.5
260.93710	0.5
269.00873	1.2
269.04538	0.6
270.01633	9.9
270.05243	8.5
271.02231	2.0
271.05399	1.0
280.33530	0.4
282.01669	0.6
283.02463	22.0
284.02805	1.7
285.04047	5.5
297.00424	0.5
298.01169	9.8
298.04727	52.2
299.01767	3.3
299.05133	4.4
313.03503	16.1
313.07092	100.0
313.14413	4.7
314.04099	7.7
314.07480	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.035
Annotation	Rhodolamprometrin
Peak:m/z	Relative Intensity
59.01355	0.5
65.00316	3.9
69.18220	2.6
69.18634	0.5
77.60570	0.3
84.38647	0.3
91.01870	0.4
93.66290	0.3
95.01316	0.4
106.00572	1.3
108.02134	0.4
109.02937	3.6
110.00086	0.6
117.03403	0.6
119.01368	2.7
121.02930	1.2
122.00057	0.3
123.00885	0.5
129.03462	0.6
129.64818	0.3
130.04208	1.0
132.02141	1.4
132.99327	0.3
133.02936	1.4
134.00090	1.7
135.00911	0.5
136.98801	1.9
139.03992	0.5
141.03453	0.7
142.04247	1.5
143.05046	2.9
144.02209	0.3
145.02959	2.3
146.03700	0.8
147.00841	1.2
147.04443	0.8
148.01614	2.1
149.02428	1.8
149.99547	0.5
151.00345	0.7
153.03374	0.6
154.04207	1.2
155.05045	1.5
157.02948	4.8
158.03726	4.4
159.04506	3.8
160.01675	0.5
160.98775	1.6
161.02396	1.2
161.99579	3.5
163.00317	1.3
169.02904	2.4
170.03757	4.3
171.04515	11.0
172.01645	1.3
172.05287	0.3
173.02432	2.1
174.03162	1.8
175.03900	0.5
177.05637	0.4
181.02972	0.6
182.03679	1.9
183.04529	3.0
185.02466	3.4
186.03217	5.7
187.03999	7.4
187.07648	3.2
188.98303	0.6
189.01909	0.7
189.99065	1.1
190.99878	0.5
197.02452	4.2
198.03220	15.9
199.03995	10.5
200.01138	6.7
201.01964	3.0
202.02725	2.4
203.03380	0.4
210.03108	0.7
211.03981	1.8
213.01926	4.6
214.02687	10.0
215.03484	7.2
215.06847	1.7
216.00674	0.7
225.01912	3.0
225.09113	0.4
226.02713	8.1
226.20303	0.3
227.03482	15.8
229.01424	0.6
229.04939	0.4
241.01413	5.9
242.02182	8.2
243.02963	12.8
245.00720	0.5
246.01741	0.3
253.01419	2.7
254.02144	1.5
255.02966	14.2
258.05408	0.7
269.00882	5.5
270.01675	44.3
271.02417	26.2
274.01276	0.6
281.01083	0.4
282.01666	1.9
283.02457	1.8
285.04037	19.6
286.04434	1.9
296.03247	0.9
297.00473	2.2
298.01212	36.6
298.04755	4.0
299.01904	26.3
313.03531	63.7
313.14423	1.9
314.04272	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99608	0.7
59.01368	2.0
59.10617	0.7
61.60440	0.7
61.98824	1.1
65.00307	0.8
71.54684	1.1
75.50482	0.7
98.07601	0.7
100.09242	0.9
108.02173	0.9
109.02917	1.2
112.98840	0.7
117.03443	1.4
117.25934	0.7
121.02918	1.4
143.05022	1.5
149.11052	0.7
152.82869	0.9
155.05083	1.7
157.02881	0.8
158.03748	0.9
167.05025	4.5
170.03746	0.8
171.04460	2.4
183.04489	4.3
185.02347	1.5
186.03160	1.3
187.03935	1.0
189.99118	1.1
195.04535	1.2
197.02457	1.0
198.03233	2.5
199.03947	6.9
201.05585	1.6
202.35646	0.8
208.47836	0.8
211.03978	15.2
212.04431	1.3
213.01907	12.7
214.02516	2.3
214.06363	1.8
226.02658	2.6
227.03484	5.7
228.04021	0.9
239.03438	7.1
241.01385	1.3
242.02097	1.5
254.02139	1.9
255.02972	19.1
256.03311	1.3
269.00858	1.0
270.01678	8.4
281.00925	1.6
283.02463	42.3
284.02676	3.6
285.03940	4.8
298.01312	8.8
298.04770	100.0
299.01678	2.4
299.05035	10.9
313.03485	13.6
313.07123	57.4
313.17429	1.8
313.23737	1.9
314.04077	3.8
314.07471	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01379	8.6
59.37075	0.8
61.98821	1.4
69.70966	2.2
69.71368	3.1
71.01379	1.3
74.05396	0.7
80.00407	0.8
93.05253	0.9
99.08084	0.8
113.09731	1.0
123.00890	1.0
135.04526	0.8
139.11272	1.1
167.14365	2.2
171.01338	0.8
171.10257	7.8
183.01161	4.2
183.13892	2.4
195.13914	10.1
213.15103	0.9
218.64558	1.0
242.15182	0.9
251.11320	1.4
275.19946	0.9
293.21179	7.9
294.21429	1.0
311.13116	3.0
311.16711	7.3
311.22244	100.0
312.22641	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0349
Annotation	Desmoxyphyllin A
Peak:m/z	Relative Intensity
55.40024	0.5
63.39956	0.6
65.00314	3.6
70.22137	1.9
93.03439	0.5
98.20022	0.7
117.03444	1.3
119.01376	2.6
121.02936	0.7
130.04218	1.6
132.02193	2.1
133.02988	1.3
136.98756	2.3
142.04294	2.9
145.02971	3.3
146.03683	1.6
147.00868	0.8
148.01732	0.9
154.04218	1.7
156.02213	1.1
157.02986	1.2
158.03723	6.4
161.02406	1.0
169.02951	3.7
170.03752	3.6
172.01585	1.4
173.02426	2.6
174.03229	2.3
182.03659	1.8
182.91211	0.5
185.02420	3.7
186.03203	11.4
187.03625	0.6
187.07622	1.3
189.01886	0.9
197.02452	6.0
198.03209	23.4
199.03621	1.2
200.01138	10.3
201.01938	3.7
202.02780	4.0
213.01889	5.8
214.02704	15.2
215.03128	1.1
215.07088	1.7
225.01877	2.7
226.02711	10.1
227.03186	1.5
227.36725	0.5
229.01364	0.9
241.01442	7.2
242.02180	11.1
243.02606	0.8
253.01369	0.9
254.02295	0.8
269.00891	6.6
270.01682	64.0
271.02087	4.2
274.01199	1.2
285.04041	32.3
286.04340	2.5
297.00287	3.1
298.01175	56.3
299.01700	4.1
313.03528	100.0
313.14377	1.6
314.03830	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01366	1.5
61.96265	0.8
63.84422	0.8
69.03475	1.0
70.83842	1.5
70.84184	1.3
83.05025	1.5
99.08158	1.7
109.50937	0.9
109.95641	0.8
113.09724	2.3
125.09723	1.7
127.11256	2.2
129.09218	2.9
131.32446	0.8
139.11284	5.5
149.59169	0.9
151.11261	0.9
151.42006	0.8
154.92392	0.8
155.10835	1.5
167.10707	1.0
169.12332	1.5
171.10272	30.7
181.12363	1.6
183.10182	1.6
183.13925	1.9
185.11821	5.4
193.12305	3.2
197.11824	6.9
199.13402	2.1
201.11308	3.4
211.13382	9.2
275.20212	2.3
293.21198	21.4
294.21396	2.1
308.14142	0.9
311.22253	100.0
312.22552	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
59.01369	2.4
68.70893	0.6
71.14169	1.0
73.07398	0.6
83.05031	0.6
87.36044	0.5
87.63774	0.5
97.06598	0.5
99.08151	2.5
113.09725	2.9
125.09699	0.7
127.11301	1.6
129.09204	6.9
134.61259	0.6
139.11298	3.0
151.11290	0.9
155.10719	1.3
163.11241	0.8
169.12369	1.8
171.10280	13.9
176.20972	0.5
177.74632	0.5
181.12372	4.0
183.10287	1.1
183.13879	2.1
185.11797	2.4
193.12274	1.5
195.13905	0.6
197.11826	9.5
199.13412	3.5
199.64345	0.5
201.11327	2.2
211.13382	16.9
212.13722	1.1
236.12184	0.6
265.21768	0.8
275.20026	1.8
293.21207	14.0
294.21570	1.6
295.26114	0.6
295.29752	0.6
311.22263	100.0
312.22610	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	311.2224
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03440	1.3
58.92035	0.8
59.01373	6.8
61.98824	1.9
68.97399	0.7
71.53503	0.7
71.53895	0.8
89.02442	1.0
99.00823	0.8
161.04509	0.9
166.29289	0.8
183.01184	6.4
197.02791	5.1
249.22200	48.5
250.22531	5.0
251.11232	0.9
260.72580	0.8
267.23163	1.8
282.83417	0.9
293.21188	21.9
294.21631	2.6
311.16974	23.1
311.22241	100.0
312.17090	2.3
312.22626	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52814	0.8
57.03450	2.7
57.82467	0.8
59.01368	2.9
66.79448	0.9
69.36473	7.0
71.24389	0.8
97.02953	1.0
97.06544	1.2
98.20657	1.6
99.08144	2.0
103.02900	0.8
111.69450	0.8
113.09735	3.2
121.10250	2.4
123.38230	0.8
125.09689	1.8
127.11308	1.7
129.09200	2.5
137.09666	1.1
139.11276	10.3
171.10274	26.5
172.10608	1.2
178.45892	0.8
181.12309	1.1
183.10179	1.0
183.13913	1.4
185.11807	4.3
193.12320	5.9
197.11832	3.6
201.11247	2.4
211.13425	8.3
215.89571	0.9
275.20087	2.2
293.21194	19.6
294.21448	1.7
311.22250	100.0
312.22604	10.5
324.58722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88498	0.6
53.50990	0.7
57.03442	2.5
59.01373	1.4
70.71928	1.7
77.65835	0.7
97.06611	1.2
99.08112	1.0
104.93373	0.7
113.09725	5.3
120.50274	0.8
121.10212	2.6
124.08221	0.8
125.09717	2.4
127.11295	2.9
137.09698	0.8
139.11284	20.6
140.11626	1.4
153.09116	0.9
155.10754	2.1
167.12206	0.7
171.10257	35.0
171.57654	0.8
172.10442	1.1
177.12837	0.9
183.13853	1.1
185.11778	2.5
195.13896	0.9
201.11310	2.7
211.13403	4.6
249.22331	1.5
275.20178	2.1
286.71841	0.7
293.21188	28.7
294.21527	3.3
311.22244	100.0
312.22607	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	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67396	0.7
55.01875	2.0
56.58001	0.6
57.03441	1.7
58.24647	0.6
58.41960	0.7
59.01379	100.0
61.98832	2.0
67.01888	3.6
69.03462	1.0
70.17374	2.5
71.01383	16.8
72.99296	0.8
73.02938	5.8
78.95930	0.7
83.01376	1.7
83.05019	0.9
85.02953	6.7
87.00890	2.4
89.02448	12.0
93.03457	49.8
94.03014	0.8
94.03809	1.5
97.13799	0.8
98.20039	0.9
99.00877	5.4
101.02440	11.5
109.02973	0.9
111.04520	5.7
113.02445	5.4
119.03545	1.3
127.04050	0.8
131.03497	1.8
137.02441	70.8
138.01947	2.0
138.02855	2.3
138.29726	0.7
143.03517	0.7
144.26352	0.8
149.04538	4.1
155.03477	4.6
159.03059	1.3
161.04587	8.9
161.05991	1.1
173.04536	65.9
174.04938	2.1
191.05600	32.6
192.05965	0.8
199.82761	0.7
251.11351	24.8
252.11722	1.3
278.96823	0.8
311.07806	4.8
311.10440	1.4
319.45862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.79690	0.6
55.25840	0.5
59.01367	4.9
61.98835	0.9
66.92871	0.4
70.67804	1.4
71.01356	0.6
76.85747	0.5
89.89107	0.6
97.06590	0.9
101.66196	0.5
105.37963	0.5
107.77843	0.5
109.96212	0.5
122.42072	0.6
122.52543	0.6
125.09715	3.8
139.11278	1.5
141.09224	1.6
141.12798	0.9
143.10658	0.7
149.34804	0.5
151.07651	0.5
153.09239	1.2
155.10811	0.6
155.14406	2.9
157.12354	0.8
167.10777	0.9
169.12491	0.6
171.10307	3.1
183.01152	1.2
195.14876	0.5
195.79933	0.5
199.09694	1.0
200.10493	2.3
247.17076	1.5
249.22209	2.5
265.21631	1.3
267.23163	1.2
275.20056	1.2
281.49069	0.6
293.21222	7.6
311.13138	5.4
311.17126	3.7
311.22244	100.0
312.13580	0.7
312.17053	0.7
312.22559	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38992	0.4
57.01687	0.4
57.03440	0.8
57.62756	0.4
59.01363	1.7
67.01894	4.7
69.03447	1.0
69.75962	2.3
71.01373	2.9
80.25859	0.4
81.03480	0.5
83.05028	0.9
85.02933	0.5
87.00839	0.5
93.03452	37.6
94.03765	1.1
98.20575	0.4
109.02972	0.8
111.00893	0.9
111.04533	4.4
112.98666	0.4
127.03908	0.5
137.02435	27.0
138.02843	1.1
148.65634	0.4
151.71196	0.4
155.03525	4.1
161.61887	0.4
173.04533	100.0
174.04826	3.8
191.05568	1.1
311.07748	4.3
312.31863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89233	0.8
57.03424	0.7
59.01377	19.5
62.84618	0.6
64.82652	0.8
67.01884	0.9
71.01382	12.9
72.99298	0.9
73.02941	8.0
78.42173	0.8
81.62186	0.6
82.76167	0.6
83.01379	1.2
85.02950	2.8
87.00868	1.9
89.02440	24.6
90.85432	0.7
92.36843	0.8
93.03457	39.5
99.00873	9.1
101.02438	12.4
105.01926	1.0
111.04519	2.2
112.00978	0.7
113.02501	1.8
117.01930	0.9
119.03508	1.5
125.02503	0.8
126.76162	0.7
131.03477	3.7
137.02435	100.0
138.02769	4.4
149.04558	8.8
155.03561	2.2
161.04529	1.4
173.03113	0.7
173.04527	17.2
191.05608	7.1
229.76204	0.7
251.11374	1.0
307.59882	0.8
311.07480	2.4
311.09991	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	311.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89233	0.8
57.03424	0.7
59.01377	19.5
62.84618	0.6
64.82652	0.8
67.01884	0.9
71.01382	12.9
72.99298	0.9
73.02941	8.0
78.42173	0.8
81.62186	0.6
82.76167	0.6
83.01379	1.2
85.02950	2.8
87.00868	1.9
89.02440	24.6
90.85432	0.7
92.36843	0.8
93.03457	39.5
99.00873	9.1
101.02438	12.4
105.01926	1.0
111.04519	2.2
112.00978	0.7
113.02501	1.8
117.01930	0.9
119.03508	1.5
125.02503	0.8
126.76162	0.7
131.03477	3.7
137.02435	100.0
138.02769	4.4
149.04558	8.8
155.03561	2.2
161.04529	1.4
173.03113	0.7
173.04527	17.2
191.05608	7.1
229.76204	0.7
251.11374	1.0
307.59882	0.8
311.07480	2.4
311.09991	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03448	2.1
59.01374	3.1
70.44127	3.1
71.05018	21.9
96.95979	1.2
97.06610	6.4
97.07132	0.9
98.20465	1.2
116.64684	1.1
121.10243	5.7
123.08228	1.4
125.09740	5.8
129.49686	1.0
135.08150	1.4
137.08771	1.8
137.09712	21.3
138.10168	1.3
141.12885	1.7
171.10257	54.6
172.10593	2.4
181.12384	1.9
185.11794	10.7
197.11807	1.3
207.13875	1.4
219.13875	2.6
235.17039	2.6
237.14996	2.4
247.20677	1.8
251.16510	20.9
273.18622	2.1
288.69257	1.3
291.19644	65.2
292.20071	5.3
309.20682	100.0
310.20963	10.6
327.32764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
59.01381	5.2
60.63861	0.8
67.01875	5.9
69.03430	0.9
69.60982	3.1
69.61395	2.3
71.01379	5.9
73.02954	1.7
81.03452	1.0
83.04979	1.2
85.02932	3.3
87.00880	2.6
89.02432	3.2
93.03454	72.9
94.03781	2.5
99.00844	1.6
100.20451	0.8
101.02438	1.9
109.02942	2.0
111.00890	1.0
111.04507	6.1
113.02461	1.5
137.02438	89.2
138.02797	3.7
149.04506	0.9
155.03493	5.2
164.98657	0.8
173.04536	100.0
174.04875	3.5
189.07393	0.8
191.05605	44.0
192.05927	2.2
196.68445	1.0
311.07397	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38900	0.3
56.20338	0.4
59.01376	3.0
69.79588	1.9
69.79893	0.3
71.01344	0.4
83.05003	0.6
85.02944	0.4
93.03455	35.4
94.03799	1.2
98.19930	0.7
111.04516	1.7
137.02440	100.0
138.02789	3.8
155.03493	1.6
173.04509	4.9
173.05841	0.4
191.05594	3.1
205.52367	0.4
311.07880	2.3
328.24881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.91132	0.4
55.01887	0.8
57.03444	3.2
59.01379	4.6
61.98832	0.7
66.44230	0.4
69.03471	1.6
71.01383	0.5
71.05019	16.1
71.54923	0.6
73.27094	0.5
81.85567	0.4
83.05036	0.9
95.05036	1.0
96.96023	2.0
97.06588	6.1
107.05050	2.4
109.06608	1.2
111.08171	0.6
113.09802	0.4
119.08634	2.5
121.10235	11.7
123.04550	1.0
123.08150	2.7
125.09724	10.0
126.10104	0.6
131.60994	0.5
135.08180	1.8
137.09720	22.1
138.10086	1.2
139.11256	0.6
141.12851	2.3
147.08139	0.7
148.08942	0.7
148.88896	0.5
165.12875	0.6
167.10786	0.5
171.10263	51.2
172.10652	2.0
181.12328	0.7
183.10233	0.6
185.11815	18.1
185.13475	0.9
186.12175	1.1
193.15897	0.6
195.14009	1.0
197.11858	2.2
206.95805	0.5
207.13968	1.3
207.17458	0.7
209.11913	1.2
211.13359	1.6
219.13831	2.4
223.13358	0.7
233.15440	1.3
235.17032	2.2
237.14919	3.1
247.20691	2.3
251.16507	40.2
252.16821	3.4
263.20053	0.7
273.18542	2.9
291.19644	100.0
292.19983	10.4
309.20688	97.9
310.21030	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03429	2.3
59.01361	2.7
62.57563	1.3
69.03461	1.7
69.23820	12.9
71.05015	17.6
97.06573	5.0
98.20654	2.7
107.04999	1.6
121.10246	13.2
123.08121	3.9
125.09698	10.7
135.08104	1.8
137.09709	19.4
138.10078	1.4
141.12747	1.9
171.10252	44.4
172.10536	3.4
185.11792	14.8
197.11856	2.1
219.13766	1.6
235.17133	3.2
237.14951	1.6
251.16507	40.2
252.16832	3.0
273.18634	2.5
291.19653	100.0
292.19989	12.2
309.04132	2.0
309.20676	93.7
310.21002	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
57.16214	1.9
59.01366	4.5
61.97802	1.7
69.03435	5.0
70.28483	5.2
70.28842	2.3
71.90054	1.7
83.05049	2.0
94.38486	2.0
94.97305	1.9
97.02954	20.2
98.20522	2.8
99.00855	3.5
100.61738	1.7
111.08157	13.7
114.41079	1.6
115.02139	1.6
116.60596	1.7
119.08655	3.7
121.10236	2.7
123.08184	2.1
125.09681	5.0
137.09692	7.3
147.98051	2.0
151.07559	2.9
152.08392	2.9
163.11261	4.1
165.12817	8.5
169.12302	3.0
171.10278	31.1
181.12323	2.7
183.13876	2.1
185.11824	3.1
193.12248	4.0
193.15982	5.1
197.11813	43.8
198.12050	3.9
199.13409	2.2
209.11787	3.4
209.15471	14.0
211.13350	6.7
223.13358	2.5
223.16951	3.5
227.12856	8.0
233.15378	3.4
247.20653	10.1
248.20876	1.8
251.16420	7.4
273.18579	8.8
291.19659	100.0
292.19962	9.3
309.17026	9.6
309.20639	73.5
310.20944	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03447	3.1
59.01376	3.1
60.54879	1.0
66.87640	1.0
69.03441	1.6
70.03897	2.9
71.01404	1.1
79.30785	0.9
80.02671	2.0
81.03452	2.9
82.21636	1.1
83.01380	9.1
83.05029	4.8
95.05001	1.4
97.02930	1.7
97.06596	5.1
98.03719	1.2
98.19942	1.0
99.08133	1.2
110.03711	1.4
123.04497	3.8
123.08152	4.4
125.09706	11.0
127.11277	1.5
135.08221	1.2
137.09740	1.2
139.11290	12.2
151.07678	1.3
154.59258	1.3
162.10544	1.6
163.11267	8.8
165.12840	17.3
167.10768	6.8
168.11522	1.2
171.10269	2.2
179.10760	1.5
179.14391	1.3
181.12321	3.5
185.11830	1.7
191.10771	3.5
193.15936	6.0
194.31117	1.0
197.11790	1.8
207.10318	1.1
209.11816	60.3
210.12129	3.6
211.13484	1.2
225.11385	1.2
247.20670	13.7
265.21753	3.3
273.18512	3.3
281.21155	1.3
291.19644	100.0
292.20026	8.9
309.15189	1.7
309.17212	2.1
309.20667	34.2
310.21078	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.48817	1.9
57.03439	5.9
59.01372	4.5
69.03416	2.3
69.63680	2.1
70.67805	5.3
70.68166	1.9
71.01393	4.2
72.02151	2.2
73.61372	2.1
76.31189	2.1
79.27467	2.6
80.02671	11.1
84.02145	5.1
96.83441	2.3
97.06626	2.9
107.07328	1.9
110.88411	2.1
123.08168	18.4
125.09725	17.2
127.11297	8.1
137.09715	16.8
139.04102	2.0
139.11301	6.9
141.12819	2.4
149.68080	2.1
151.11276	5.3
153.09172	2.4
155.10765	58.7
156.10957	2.5
163.06828	2.2
165.12819	3.2
167.10728	6.2
171.10255	100.0
172.10579	4.1
173.59285	2.3
181.12296	4.7
185.11807	98.0
186.12143	6.2
191.10669	3.0
209.11783	9.6
209.15392	3.8
212.10533	3.2
247.20682	6.6
263.20139	10.1
265.21649	5.3
281.21140	14.5
282.21317	2.4
291.16672	3.3
291.19647	41.4
292.19781	3.4
309.14951	4.5
309.17319	4.0
309.20599	45.7
310.21118	3.8
317.89398	2.3
319.57239	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
57.67076	1.1
59.01367	3.4
61.09903	1.0
61.21092	1.0
69.03458	6.1
71.01389	1.0
71.16765	2.6
79.65651	1.2
80.00172	1.1
83.05016	3.4
83.63716	1.0
85.02959	3.0
89.54306	1.0
95.05041	1.7
97.02943	32.6
97.06632	1.6
99.00869	4.7
109.06581	1.7
111.08157	2.1
114.01855	1.3
119.08670	16.3
121.10209	1.7
125.09731	3.1
127.11327	1.3
135.08174	2.1
137.09711	27.9
138.10045	1.7
151.04010	14.4
151.07631	17.6
152.08424	27.7
153.09108	1.9
155.10756	2.0
163.11319	1.6
167.10747	2.4
171.10254	64.3
172.10550	3.2
175.07727	1.4
179.14325	1.1
183.10266	2.3
184.07379	3.6
185.11813	10.6
190.09952	1.7
193.08620	2.9
195.13918	3.0
197.11824	3.2
201.11328	3.5
208.11043	2.5
209.15440	35.0
210.15829	2.7
211.13335	2.2
213.11331	3.1
221.11862	2.9
223.13319	2.4
229.19586	1.6
247.16988	1.9
247.20663	1.9
252.09956	6.6
261.55774	1.1
265.17987	7.3
273.18695	7.6
274.18988	1.2
290.23944	1.0
291.16357	2.0
291.19626	37.8
292.19986	3.5
294.59149	1.2
303.96921	1.1
309.17026	57.8
309.20685	100.0
310.17368	7.0
310.21008	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31141	1.0
57.03440	2.5
59.01364	2.0
67.01880	2.6
69.03455	1.8
69.79661	5.0
71.01339	1.2
71.05028	4.3
72.07314	1.1
80.02681	9.2
81.03458	4.6
83.05023	27.4
84.02161	10.5
95.05018	1.9
97.06578	4.4
99.08128	6.5
109.06586	3.7
113.09690	2.6
115.07633	5.1
122.65348	1.3
123.04511	2.8
123.08154	2.1
125.09718	6.9
127.11286	4.4
135.08148	1.5
137.09715	55.0
138.10089	2.7
139.11295	10.3
141.12875	1.3
145.01833	1.1
148.05305	3.6
151.11243	5.6
153.09189	7.5
153.12857	1.4
154.09999	1.5
155.10777	55.0
156.11079	3.0
163.11346	1.3
165.12822	1.3
167.10773	4.6
169.12332	1.5
171.10255	54.9
172.10567	3.0
175.11311	1.9
180.04305	6.2
181.39041	1.2
183.10249	1.2
193.12305	26.3
193.13950	1.8
194.69893	1.1
195.13768	1.3
209.11798	4.1
211.13342	5.3
212.70856	1.3
221.33696	1.2
231.13147	1.1
239.12834	1.2
247.20580	7.6
263.20071	5.9
265.21759	6.0
273.18521	2.0
281.21204	2.9
291.19641	100.0
292.20023	11.2
309.20688	90.3
310.21002	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	309.2068
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03433	1.3
59.01368	1.9
63.38398	0.6
70.67699	1.9
71.44896	0.6
73.62657	0.7
84.48920	0.8
88.13053	0.7
97.02950	0.9
97.06579	1.6
105.41966	0.7
115.52801	0.8
123.08151	1.2
125.06039	1.4
125.09715	5.4
127.11209	1.2
137.09717	1.6
139.11255	1.7
141.09169	2.0
145.02029	0.7
151.04008	0.9
151.07611	1.4
152.08456	0.8
153.09183	1.0
153.12881	1.0
155.10780	1.2
171.10199	5.7
175.97484	0.7
185.11748	1.1
199.09763	5.4
200.10533	5.9
201.11255	3.2
209.15436	1.9
211.13376	0.8
213.11255	1.1
247.20631	5.6
248.21158	1.0
265.21637	1.9
268.19223	0.7
272.06512	0.7
273.18478	1.2
281.21066	1.4
291.19623	15.4
292.19882	1.7
295.89685	0.7
299.06461	0.6
309.20667	100.0
310.20996	12.3
332.68704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
59.01372	5.3
61.98838	1.5
67.01878	2.1
69.03446	1.3
71.01357	1.5
71.05008	2.7
71.11228	2.2
71.11620	1.6
79.95748	6.0
80.02672	16.5
81.03449	6.1
83.05019	28.7
84.02170	13.2
91.53694	1.3
93.03469	1.4
95.05035	2.6
96.95990	1.7
97.06575	6.6
99.08159	9.0
109.06573	3.3
111.08135	3.0
113.09711	2.7
115.07655	6.2
119.08692	1.1
123.04489	2.4
123.08162	1.8
125.09716	7.1
127.11288	7.8
135.08144	1.4
137.09717	66.5
138.10043	3.7
139.11284	15.0
149.09732	1.1
151.03990	3.6
151.07600	3.9
151.11255	5.1
152.08388	2.6
153.09207	7.0
155.10773	55.7
156.11046	2.6
165.12877	1.4
167.10751	4.6
169.12312	1.9
171.10257	73.6
172.10619	3.4
177.12790	2.0
193.12314	30.3
194.12749	1.4
195.13797	1.9
209.11829	3.3
209.15433	5.7
211.13351	8.0
247.20650	4.9
263.20071	8.6
264.20474	1.6
265.18420	1.3
265.21613	3.9
273.18503	2.6
273.64389	1.2
291.19647	87.5
292.19958	8.1
309.17194	12.0
309.20648	100.0
310.17804	2.0
310.21030	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
59.01371	2.1
69.03448	5.2
70.37289	3.8
71.05013	1.2
73.33405	1.0
83.05015	2.5
85.02935	2.6
85.06557	1.1
97.02945	39.8
109.06566	2.0
111.08170	1.5
118.86933	1.2
119.08662	2.4
125.09743	1.9
137.09737	9.7
165.12851	2.8
167.10768	1.1
171.10271	17.2
193.12134	1.2
195.13914	7.5
209.11916	1.2
211.13364	2.3
221.11823	2.5
221.15439	3.6
223.13321	3.0
233.15514	1.1
235.16925	1.0
239.12880	3.6
239.16599	1.2
247.20660	3.9
251.16570	2.3
258.01065	1.2
273.18558	2.9
291.19635	51.4
292.19958	4.7
309.20691	100.0
310.20956	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95097	1.3
58.00598	1.8
59.01381	2.3
69.03455	4.6
70.39018	5.3
83.05032	2.2
86.56917	1.4
107.08674	2.3
119.08659	18.7
121.10238	2.0
125.09727	7.4
127.11263	3.7
135.08165	2.6
137.09721	31.3
139.11232	1.5
141.12787	1.3
149.09756	1.6
151.11285	2.1
155.10748	3.8
167.10741	4.5
171.10254	100.0
172.10582	4.8
173.31812	1.4
183.10268	6.3
185.11806	23.2
197.11929	1.9
201.11342	7.0
201.13782	1.4
211.13393	2.7
213.11353	8.7
229.19511	3.3
273.18607	9.1
291.19653	36.2
292.19830	3.0
309.17261	3.2
309.20624	44.4
310.21036	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.5
59.01362	5.0
59.54037	1.7
69.03432	4.5
70.83930	4.6
76.07545	1.5
83.05048	1.8
90.00599	1.6
107.08610	2.5
117.66349	2.1
119.08668	24.5
125.09723	7.1
127.11240	3.5
135.08144	2.1
137.09726	32.5
151.11272	2.1
155.10793	5.6
167.10765	3.8
167.66046	1.9
171.10262	100.0
172.10599	6.3
183.10225	4.8
185.11827	26.1
195.10333	2.9
197.11821	3.2
197.66855	2.0
201.11336	8.2
211.13487	2.3
213.11279	10.6
229.19540	2.6
236.59148	2.0
273.18594	14.2
273.38660	1.8
291.19635	34.3
309.20697	84.7
310.21112	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	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.12800	0.8
50.53981	0.8
55.01875	1.3
56.72169	0.8
57.03434	1.7
57.07854	0.8
57.12939	0.9
58.00580	2.7
59.01377	80.9
60.01706	1.5
61.98804	0.9
64.40385	0.8
69.03487	0.8
69.15221	3.8
69.15645	5.1
71.01381	41.1
72.99310	3.6
73.02940	3.4
75.00847	1.0
83.01375	3.2
85.02946	10.6
87.00875	2.7
89.02441	42.0
95.01404	4.5
98.19884	2.4
99.00899	2.2
101.02438	29.3
102.05579	1.8
113.02444	15.2
115.04018	1.2
118.15280	1.0
119.03501	19.2
119.05027	3.3
128.03517	2.6
129.03906	1.0
129.05553	1.8
131.03482	1.4
135.04524	1.1
136.04053	1.5
143.03485	2.2
145.02940	2.1
146.04572	3.0
147.04549	0.9
147.06619	13.3
161.02394	1.2
161.04541	4.1
161.08192	2.2
162.03088	1.1
163.02646	1.1
163.03966	1.1
168.11116	0.9
179.05663	2.1
224.67914	1.0
292.08203	1.9
309.11890	100.0
310.09262	1.0
310.12439	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03446	1.2
59.01370	1.9
60.22301	0.8
67.01877	2.0
70.91055	2.1
71.04998	0.9
83.05009	1.2
88.92532	0.7
95.05000	1.0
97.06572	1.1
108.78247	0.9
111.08152	3.6
121.10220	8.4
125.09689	5.4
137.09711	8.4
141.12845	0.9
171.10272	17.5
172.10646	1.3
185.11809	8.9
195.13887	2.0
197.11830	3.8
211.13380	47.8
212.13724	2.9
223.13445	1.1
247.20673	1.2
273.18512	1.2
291.19638	100.0
292.19974	9.6
309.20636	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03439	19.4
59.01372	12.8
69.51768	15.9
69.52174	6.6
71.01373	28.7
71.64338	3.8
79.54095	3.9
81.03474	4.3
90.37714	3.8
95.05008	6.0
97.06580	26.2
98.19876	6.0
111.08121	11.2
123.04486	4.1
124.68980	3.9
125.09706	5.5
135.04524	4.6
137.02463	4.0
137.09697	6.5
149.09720	9.1
151.11270	26.8
153.12819	4.9
155.10770	13.8
163.11305	8.4
165.12834	38.0
166.13199	5.4
167.10692	7.7
177.12671	6.0
178.09744	3.7
179.10756	8.5
181.12369	53.8
191.10764	22.2
191.14322	11.0
197.11835	6.0
209.11819	96.5
211.13345	10.3
245.19060	44.0
246.19516	6.7
261.18396	4.1
263.20120	15.3
285.92227	4.5
289.18079	54.2
290.18231	7.7
307.15573	6.5
307.19122	100.0
308.19525	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01371	0.7
71.01385	2.1
89.02408	0.4
96.95998	2.1
98.19894	1.3
103.04005	1.1
108.97382	0.4
142.51802	0.4
157.05121	0.4
163.00389	0.6
307.22763	100.0
308.23132	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	308.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31551	0.5
52.47652	0.5
53.68143	0.6
57.03432	1.0
59.01380	8.6
69.19061	5.2
69.19447	1.2
71.01371	2.4
80.55898	0.6
81.03415	0.7
87.00862	2.8
89.02444	0.9
93.03447	1.6
96.96020	1.0
97.06622	0.9
99.00877	0.8
99.08118	0.8
101.02424	1.1
116.05063	1.3
119.03482	0.5
123.02734	0.9
124.02232	0.7
125.00644	0.7
131.05008	3.6
133.05835	1.0
133.55989	1.2
134.03673	1.0
135.04529	3.3
137.02394	0.7
144.04538	5.8
145.08673	1.9
146.09058	1.4
147.04480	1.5
149.06038	0.6
151.02222	7.9
152.01750	33.6
153.02063	1.3
158.06078	1.4
159.04520	3.5
160.05301	0.8
163.00929	2.0
164.02991	0.9
164.07198	1.0
165.03810	2.3
165.05106	0.6
173.04549	2.0
173.06050	1.6
177.02339	0.7
177.03752	0.7
178.03310	47.5
179.03709	2.3
180.01187	0.7
186.05600	3.9
187.06421	2.7
189.09192	7.0
190.03294	3.3
192.01291	0.7
192.04890	13.2
193.05106	1.8
194.02797	3.5
205.01987	1.6
220.04359	48.3
220.58786	0.9
221.04666	2.3
233.08109	0.7
246.11278	0.7
264.03326	100.0
265.03650	6.5
277.07190	1.2
308.02386	8.8
308.14355	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82946	1.6
55.01885	3.7
57.03438	5.5
59.01365	4.9
59.36585	1.7
60.24072	1.5
65.03957	59.6
66.04279	1.8
69.50455	3.4
69.50865	9.8
71.01398	8.9
71.05017	39.9
83.05035	2.6
96.96008	5.0
97.06584	75.4
98.06956	3.1
103.03983	4.5
119.08656	11.6
121.06591	100.0
122.06924	3.9
123.08176	4.0
125.09724	44.9
126.10169	1.9
126.14407	1.4
137.09721	4.3
141.12793	1.9
151.28604	1.5
153.19943	1.7
177.11615	1.6
185.11812	81.6
186.12164	3.3
198.91472	1.9
209.11801	31.9
210.12097	1.8
211.13377	38.1
212.13768	2.4
235.13367	96.8
236.13695	9.8
241.98607	2.1
289.18036	16.5
292.03494	1.4
307.15680	3.2
307.19080	28.7
308.19464	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	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.20475	0.4
52.21557	0.4
57.03444	0.8
59.01376	2.8
67.04211	0.4
69.03461	0.6
69.69116	2.8
71.01385	2.2
71.05022	4.5
80.02653	0.6
81.03457	1.7
83.05006	1.5
95.05027	1.6
96.95972	0.9
97.02909	0.7
98.03703	2.1
98.20624	0.9
103.04007	1.1
106.04242	0.7
107.05002	0.5
109.06582	14.1
110.06911	0.6
111.04520	6.4
111.08141	1.0
112.05339	0.8
121.06577	0.4
123.08140	1.6
127.07668	4.0
135.08150	0.7
137.06068	1.1
137.09700	0.9
143.10760	1.8
145.06567	1.6
149.06021	0.8
149.09731	1.3
157.05049	0.8
163.11281	0.7
167.10818	2.8
179.10794	1.2
191.14397	0.8
195.13878	3.5
202.91396	0.4
215.14421	0.6
217.15941	0.5
235.13371	1.8
245.19037	4.6
246.19388	0.7
249.14914	0.7
251.16528	0.7
261.18561	1.0
271.17068	1.0
273.14874	0.6
287.16470	2.1
289.18063	100.0
290.18390	10.0
307.15643	0.7
307.19119	10.7
308.19431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86415	0.8
52.62957	0.9
55.01870	2.0
57.03442	8.1
59.01375	14.2
65.58341	0.9
67.01884	1.9
69.03443	2.9
71.01379	11.8
71.37524	1.6
73.38418	0.8
78.79778	0.8
79.95714	3.1
80.02660	2.6
80.96500	0.9
81.03448	9.0
81.22031	0.8
83.01381	10.3
83.05018	5.8
85.02946	1.2
88.73623	0.8
95.05015	4.2
96.96015	1.7
97.02946	7.0
97.06580	11.0
103.04014	6.7
106.04245	2.6
107.05047	1.9
109.02928	1.7
109.06593	3.5
110.03710	1.4
112.72111	0.8
112.84197	0.9
113.06046	1.1
115.07643	1.1
119.01384	0.9
119.08616	2.5
121.02951	1.6
121.06588	4.4
121.10170	1.1
123.04529	11.0
123.08151	5.8
125.06069	2.2
125.09727	23.3
127.07648	1.0
133.82536	0.9
133.99602	0.9
134.03691	0.9
135.04506	2.1
135.08167	4.6
136.05295	1.1
137.06061	1.8
137.09721	15.8
138.10049	1.0
141.12823	3.1
142.02721	2.1
149.06042	3.7
149.09740	1.0
151.11275	1.8
157.05057	3.6
161.09679	2.5
162.10469	1.9
163.07614	1.7
163.11276	18.8
164.08467	1.5
165.09175	2.1
165.12848	3.1
167.10774	2.7
171.10248	3.3
173.09782	1.0
175.00383	1.2
177.09224	1.4
177.12814	2.8
178.09935	0.9
179.03412	1.1
179.10760	2.9
181.12299	5.5
185.11800	25.7
186.12151	1.2
191.10809	6.2
191.14380	22.2
192.14781	0.9
202.99864	1.1
203.14468	0.9
205.12361	1.3
207.10231	13.7
208.10591	1.2
209.11809	51.6
210.12070	3.8
211.13361	2.9
217.15918	3.4
225.11290	10.5
226.11972	2.7
227.18065	1.6
243.17638	1.2
245.19063	51.0
246.19461	3.9
247.08244	2.7
247.16995	2.1
251.12863	1.3
263.20135	6.2
271.16937	6.2
289.18063	100.0
290.18457	12.0
307.13525	2.1
307.19116	51.4
308.19220	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95125	2.9
57.03449	15.7
59.01383	20.1
69.03437	8.2
69.30410	29.0
71.01379	19.5
79.95731	3.6
80.02647	4.7
80.39915	3.6
83.05028	12.0
93.07072	3.5
95.04996	7.9
96.95966	4.0
97.06577	21.1
103.04070	2.9
106.04240	5.8
107.08653	3.9
109.06586	6.2
111.08173	18.1
121.06609	26.2
123.04471	4.0
125.09721	25.4
127.11323	5.7
135.08177	21.4
135.47601	3.1
137.09702	5.4
149.09726	7.4
151.11307	30.4
153.09203	18.9
153.12823	4.2
155.10754	8.7
163.11223	8.1
165.12840	42.1
167.10757	13.5
169.12357	5.6
171.10249	65.4
179.10783	8.9
181.12340	44.0
185.11816	99.2
186.12221	5.7
191.10735	18.4
191.14398	12.8
205.12291	4.4
209.11821	95.5
210.12120	7.8
211.13499	15.5
212.10577	7.4
217.19638	3.4
239.09296	4.5
245.19069	36.1
246.19330	4.0
261.18552	11.0
263.20139	16.5
271.16962	6.6
279.19711	19.4
280.19824	3.7
289.18094	55.9
290.18332	4.1
307.15631	6.5
307.19125	100.0
308.19339	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78100	0.3
58.06102	0.3
59.01371	0.6
59.96758	0.3
65.74124	0.3
67.01053	0.3
69.65247	0.7
69.65656	1.3
71.01400	1.4
74.99064	5.6
74.99465	0.5
75.96222	0.4
88.33964	0.4
91.02218	2.3
93.00131	1.3
93.26431	0.3
103.04024	0.5
108.49420	0.3
143.05370	0.5
149.00969	2.3
150.13966	0.3
151.98427	0.4
157.05147	0.3
157.58858	0.3
159.08459	6.5
160.41528	0.3
161.06390	1.1
192.98094	0.7
206.99709	1.6
209.01207	2.1
217.07272	0.5
223.02820	50.0
224.02869	4.3
241.03961	0.4
264.10046	0.3
289.07462	1.5
291.09082	100.0
292.09152	12.6
307.12177	4.3
307.18552	0.4
308.12100	0.4
309.10260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03447	1.7
59.01379	100.0
60.01707	0.7
65.70889	0.5
69.35751	4.5
71.01377	17.4
71.05545	0.6
72.99306	1.1
73.02937	4.0
79.65382	0.6
83.01402	1.6
85.02943	6.7
87.00883	1.9
87.22211	0.6
88.04046	0.7
88.17320	0.6
89.02441	4.2
90.51691	0.6
90.95387	0.7
93.03462	1.1
95.01403	1.2
96.96003	1.0
99.00876	1.8
101.02437	9.1
102.05589	1.5
103.03986	1.5
107.04983	0.7
108.04567	1.3
109.02988	1.2
113.02451	6.3
119.03529	1.8
119.05047	0.8
122.06187	0.8
124.04047	6.5
128.03513	0.6
132.03091	0.9
133.02960	1.7
133.05844	1.1
134.03702	0.8
134.06143	1.3
135.04524	12.3
135.05537	1.0
136.04037	2.7
138.05652	3.0
140.07240	1.1
143.03526	1.2
146.04610	1.9
147.04565	1.1
147.08293	0.8
149.06064	2.9
152.07195	0.9
159.03011	0.8
159.04457	0.9
161.01346	0.8
161.02466	3.4
161.04573	7.3
173.06035	1.1
174.03334	1.3
175.04013	2.4
175.09868	1.3
179.03461	8.0
189.05685	0.6
193.05148	1.0
201.05589	3.5
203.03461	0.8
203.07149	0.9
204.04312	1.3
204.06609	1.5
217.04968	0.7
219.06628	3.9
234.11359	0.7
235.06058	0.6
247.08517	1.0
247.11041	1.6
259.10928	0.9
263.05536	0.8
265.12927	12.1
266.13211	1.1
277.11984	3.6
289.11893	1.7
307.04926	1.4
307.08203	2.3
307.13840	15.1
308.07935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.52544	1.3
53.97053	1.2
55.01876	2.8
57.03452	5.7
59.01365	3.5
60.13275	1.1
65.03959	61.2
69.03455	1.5
69.24144	6.3
69.24569	5.3
71.01367	4.5
71.05017	37.7
83.05021	1.9
96.95966	2.3
97.06586	73.2
98.06902	1.9
103.04008	1.5
119.01264	1.1
119.08646	11.9
121.06591	99.0
122.06915	4.2
123.08163	4.3
125.09715	44.1
126.10027	2.4
135.08118	1.5
137.09694	3.8
141.12877	1.9
147.48221	1.2
149.68613	1.1
157.05029	2.3
165.12796	1.2
173.13408	1.4
185.11812	77.1
186.12088	4.2
209.11813	36.8
210.12221	1.5
211.13377	36.1
212.13721	2.4
235.13376	100.0
236.13626	7.0
247.08331	1.9
289.18079	18.4
290.18347	2.3
307.19061	24.5
307.22430	1.4
308.19431	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	307.0822
Annotation	(1R)-2-Oxo-3,4-dehydroneomajucin
Peak:m/z	Relative Intensity
57.03435	1.7
59.01374	9.6
59.93299	0.5
65.38786	0.5
67.01889	1.2
68.34605	0.5
69.03455	0.8
71.01376	3.1
71.54390	0.8
78.95878	0.5
79.74427	0.4
83.04990	0.5
85.02948	1.3
87.00866	3.8
91.58530	0.5
93.03464	6.7
96.96013	0.7
97.06593	0.7
103.04031	1.2
103.05531	8.5
111.04508	0.9
119.05014	0.6
121.02957	1.2
121.06601	7.0
122.03757	0.7
122.06908	0.6
123.04517	1.0
130.04199	0.7
131.05029	19.5
132.05321	1.0
133.05771	1.3
133.06628	1.8
137.02432	1.5
147.04541	3.4
148.05264	3.6
149.06078	100.0
150.06406	4.4
151.07663	1.5
155.03519	1.1
163.03983	1.0
173.04564	11.3
173.06075	1.0
174.03372	0.7
174.04897	1.2
175.07687	0.6
179.01718	1.3
187.04005	0.6
187.07596	0.7
188.04767	0.6
189.09200	12.3
191.03860	1.0
191.05582	5.0
193.05038	13.4
201.09235	2.2
203.07098	1.4
219.10286	2.0
220.08502	6.9
220.58624	1.7
223.13466	1.5
231.10397	0.7
233.08144	3.9
245.08144	0.7
245.11751	0.8
263.09222	64.9
264.09546	4.5
266.57877	0.5
267.12418	0.8
275.09177	1.0
289.02536	0.7
289.10822	1.3
307.08264	18.3
307.11856	3.9
308.03113	0.6
308.08600	1.2
326.83279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35113	1.4
59.01366	8.1
71.01377	6.6
72.00878	1.9
72.04547	23.3
86.84080	2.0
87.00877	20.6
87.05634	10.2
88.04041	14.3
91.05521	14.2
93.03443	7.0
97.04040	3.2
97.06597	2.3
98.19918	6.3
99.05656	3.5
100.04044	100.0
101.04385	1.8
103.04030	2.2
109.04076	3.3
114.01959	2.5
115.05135	87.2
118.06697	2.5
119.05002	3.3
121.02964	2.5
132.71107	1.9
134.03760	3.9
135.04536	1.9
137.02451	5.3
139.03975	1.8
144.03023	57.1
147.04507	30.3
148.05333	12.9
149.06065	5.7
158.06059	2.0
163.04028	2.9
164.07147	3.0
173.04535	10.6
176.07161	14.8
187.07587	1.8
189.09106	2.6
190.05032	4.6
191.03575	3.2
191.05577	9.7
191.07106	2.4
192.04259	3.3
193.05006	2.8
201.10446	10.1
203.07129	4.9
219.11340	4.5
220.06097	4.2
220.08208	2.4
235.10880	50.7
236.11229	2.9
245.09276	27.1
245.11781	3.4
246.09560	2.4
261.08789	5.4
263.10336	18.5
289.08060	4.3
289.10846	4.5
307.11996	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30159	0.4
53.35288	0.3
57.03444	0.4
58.14808	0.4
59.01384	2.4
61.98829	0.6
64.09818	0.4
65.58167	0.5
71.01379	3.6
74.99068	5.9
78.62299	0.4
91.02233	2.0
93.00122	2.2
103.03979	2.0
108.81222	0.4
119.04996	0.4
135.04581	0.6
137.02388	0.4
143.05368	0.7
149.00961	2.6
157.05066	1.1
159.08444	6.4
161.06383	1.6
179.03506	0.5
192.98091	0.6
206.99666	1.2
209.01230	2.0
217.07161	0.8
223.02824	53.6
224.02849	5.1
229.64374	0.4
241.03862	0.6
247.08122	0.8
264.12836	0.4
275.06033	0.4
285.79095	0.5
289.07681	2.5
291.09082	100.0
292.09225	13.5
307.12170	3.5
307.19095	0.4
309.10193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	11.6
61.98833	6.2
70.67916	7.6
71.05015	50.2
76.71819	3.4
81.03483	4.1
83.05050	3.4
83.30112	3.1
86.78436	2.9
93.03442	7.7
95.05019	17.9
95.65112	3.9
109.06602	15.2
117.03464	8.1
121.06554	8.2
127.07599	4.1
135.08159	7.4
139.07791	3.3
146.98590	3.4
147.08171	4.1
161.02310	5.7
165.09174	17.5
168.13986	3.6
169.14290	4.6
178.74324	3.3
189.01901	4.3
189.12859	16.3
205.15979	12.2
217.04813	3.6
233.11830	11.5
243.17532	14.8
249.14867	13.7
259.02560	3.6
269.15298	3.7
287.16544	97.1
288.16968	8.1
305.17587	100.0
305.20901	5.0
306.17950	10.8
315.00150	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	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
58.52187	0.6
58.57076	0.6
59.01376	0.8
61.53730	0.6
61.98827	1.4
64.60760	0.6
70.36710	2.1
81.21275	0.6
83.55608	0.6
86.81638	0.7
89.90344	0.6
254.91249	0.6
262.97278	0.9
305.24847	100.0
306.25128	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	306.062
Annotation	Narciclasine
Peak:m/z	Relative Intensity
59.01387	6.6
61.98826	2.2
63.28101	0.9
69.29339	8.1
71.01395	5.9
71.01715	0.8
73.02950	1.4
81.04907	1.0
82.02969	1.1
85.02947	1.1
87.00889	1.0
89.02431	1.3
95.04997	1.2
96.04523	1.2
101.02437	2.5
103.03988	1.6
110.00065	1.3
111.00890	1.4
121.02960	4.3
123.00890	1.6
124.01640	2.3
126.60747	0.8
128.03554	6.1
130.06586	1.2
133.02939	8.4
134.03555	1.0
135.04494	2.5
137.02451	3.6
144.06633	1.2
147.03304	1.0
148.01683	7.5
148.03970	1.0
149.02441	34.8
150.03186	1.3
151.04066	1.4
161.02443	7.4
174.05612	1.3
175.02728	24.8
175.04024	2.1
176.03525	100.0
177.01910	17.0
177.03799	5.0
178.02280	1.2
179.03433	2.4
188.04770	2.3
200.07161	13.2
201.05634	1.4
201.07381	1.3
202.05022	5.6
216.06627	2.0
218.08200	38.4
219.08560	2.8
244.06119	24.1
247.08228	1.8
262.07162	38.5
263.07587	1.5
288.05151	14.2
306.06177	21.5
307.13916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98830	100.0
62.98560	0.3
69.16673	0.2
69.78561	0.6
69.78973	0.8
71.01385	0.9
88.99599	0.2
103.04049	0.4
125.19167	0.3
128.97290	0.2
129.12587	0.3
129.96074	0.2
134.55426	0.3
139.74023	0.2
161.98923	1.5
162.98564	0.9
163.98659	0.7
164.96388	69.3
165.96480	3.9
171.01788	0.3
181.44362	0.2
192.24852	0.3
193.63225	0.2
203.58481	0.3
206.97441	26.5
207.97549	1.7
219.35002	0.3
247.08224	0.3
261.34109	0.2
264.96512	0.4
270.70886	0.3
277.14215	0.3
306.97531	23.3
307.97522	3.3
308.00314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76881	0.7
57.03441	1.5
59.01382	5.5
61.98803	0.8
69.69817	3.5
69.70230	1.6
71.05017	49.0
72.05289	0.8
75.27160	0.9
80.02679	0.9
81.03442	4.2
83.05015	2.2
93.03453	3.4
94.42037	0.8
95.05020	20.2
97.02942	1.0
98.03773	0.9
99.92725	0.7
106.04236	2.2
107.04999	2.2
109.02928	1.2
109.06583	19.7
111.04496	3.5
111.08138	0.9
119.04998	2.3
121.02924	1.2
121.06576	6.6
122.03749	1.1
123.04492	0.9
123.08167	2.0
125.06067	1.0
127.07623	3.1
127.26799	0.8
133.06532	1.0
133.10258	1.0
135.04613	0.8
135.08157	3.4
136.70175	0.7
141.04718	0.8
147.04530	2.0
147.08102	3.6
149.06110	1.1
149.09741	1.4
150.06847	2.3
151.07431	0.9
153.09184	1.8
161.06079	3.2
161.09665	2.4
164.08470	1.3
165.09204	14.6
169.14305	1.0
175.07597	0.8
175.11250	0.9
179.14363	1.5
189.12828	18.9
189.98497	0.8
190.13219	1.8
203.14447	0.9
205.15952	9.6
206.16402	0.9
215.10706	1.1
215.14490	0.9
231.13899	2.3
233.11815	11.0
243.17456	13.2
245.15541	1.1
249.14911	15.2
250.15092	1.0
261.18546	2.5
263.16467	1.6
269.15424	2.6
287.16492	92.3
288.16803	9.8
305.17557	100.0
306.17804	9.5
306.21149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.69728	1.1
54.04147	1.2
57.03434	1.6
59.01381	5.9
61.98839	1.9
66.51990	1.0
71.05016	32.9
71.54417	1.3
78.44499	1.0
81.03445	2.4
83.01388	1.4
85.93049	1.2
89.63477	1.0
93.03436	2.4
95.05026	15.6
96.96050	1.2
97.06570	2.8
103.58023	1.1
107.05048	2.0
109.02939	2.4
109.06586	16.0
111.00890	1.3
111.04503	2.2
117.03372	1.1
119.05021	2.0
121.06578	4.6
122.03764	1.9
123.04513	1.7
123.08189	1.9
125.09671	1.4
127.07635	2.6
131.65758	1.2
135.08151	6.5
139.07524	1.1
147.04475	3.1
147.08157	3.5
149.09709	1.1
150.06831	1.5
161.02515	2.1
161.06046	1.5
164.08452	1.4
165.09178	9.9
185.11835	2.0
187.56175	1.1
189.01907	1.9
189.12843	10.7
193.12363	1.4
205.15977	9.8
212.32704	1.1
231.13887	1.8
233.11835	7.2
243.17494	11.1
249.14903	14.5
250.15384	1.4
261.18460	3.1
263.16498	1.8
269.15482	2.0
287.02097	1.7
287.16510	67.7
288.17075	6.9
289.14679	1.3
304.99210	1.1
305.03033	2.0
305.17581	100.0
305.20920	4.8
306.17947	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	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.31731	0.6
53.08893	0.6
55.01873	1.4
57.03444	2.6
59.01376	2.2
61.98816	0.8
65.03969	3.1
69.03475	0.8
71.05010	9.0
71.53287	1.3
79.05527	14.4
83.05035	1.9
91.19023	0.5
93.03453	2.1
95.05046	2.0
97.06585	14.6
106.04240	9.0
107.05028	3.9
109.06606	2.3
117.03476	1.0
117.07138	1.0
119.05022	1.4
120.05800	6.7
121.06612	4.3
123.08168	7.9
125.06110	0.8
125.09717	18.4
133.06583	0.9
135.08159	100.0
135.18240	0.7
136.08453	5.1
137.09721	2.2
151.11270	2.8
161.06047	0.7
161.09673	0.8
162.06868	0.9
163.11298	1.3
176.08409	0.8
177.12837	1.4
183.10240	1.5
185.11818	2.9
185.13280	0.6
189.12831	2.3
205.15939	6.8
207.10213	2.0
209.11836	2.1
220.05701	0.6
221.11778	2.5
231.13858	1.8
233.11789	1.4
235.13409	0.8
243.17693	0.8
249.14931	54.3
250.15295	4.3
257.29767	0.7
261.18478	0.7
263.16510	2.1
269.15411	1.1
287.16544	8.0
305.17554	78.6
306.17874	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	305.1141
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.30686	0.2
59.01371	0.6
65.99850	0.7
68.99789	0.3
69.03442	0.4
69.58804	1.2
82.02987	3.5
92.05064	0.3
94.02980	1.6
96.04548	4.3
98.20649	0.4
110.06130	0.6
120.04546	0.9
122.03722	4.0
122.06113	1.8
136.04034	1.4
138.05603	100.0
139.05943	4.1
141.48013	0.3
149.04848	0.3
150.05540	0.3
154.46350	0.3
161.04762	0.4
166.05110	0.3
174.05553	0.5
175.07974	2.5
177.70543	0.3
178.08698	0.4
185.05951	0.3
188.07124	0.9
190.03371	0.4
190.08673	1.1
191.08263	0.3
202.08757	0.8
216.10268	0.4
217.06099	0.7
217.08255	0.2
218.02711	0.6
218.06953	2.1
218.11798	1.6
233.09308	4.9
234.09711	0.4
243.10106	0.2
244.09729	1.1
245.09238	0.5
261.12421	9.6
262.01648	0.4
262.12711	0.6
271.08353	0.3
287.10519	1.6
305.11407	17.4
306.11707	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	305.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25338	0.5
55.01901	0.7
59.01389	2.1
59.44544	0.4
61.98830	1.0
67.01917	0.4
68.99570	74.9
71.01385	0.8
71.51788	0.5
73.02961	0.5
78.95899	2.7
87.00868	0.7
99.00897	1.0
110.98523	2.0
112.98565	100.0
113.06064	2.0
113.98902	1.5
131.07187	0.5
138.05605	2.3
142.99876	0.7
144.06685	0.6
157.05054	3.3
173.04558	0.6
175.44080	0.4
176.03545	0.6
305.08621	1.0
305.11966	0.7
305.15939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1031
Annotation	Neolindenenonelactone
Peak:m/z	Relative Intensity
59.01357	2.8
63.49212	0.8
71.01366	1.0
71.54189	1.0
79.95708	1.0
81.99788	0.7
85.02950	1.0
87.00883	1.4
87.04513	2.6
96.96021	0.9
97.06576	2.0
99.00819	1.1
109.02922	0.9
111.00877	1.9
121.02936	1.2
124.01611	1.1
124.07699	1.1
133.02972	1.2
133.06430	0.8
135.04546	5.8
136.04005	0.9
136.07655	1.3
137.02415	1.2
137.32063	0.8
139.00336	1.9
145.02956	1.6
146.03716	1.6
147.04480	2.2
157.02911	1.5
159.04483	8.3
160.05203	3.7
161.02483	1.3
161.06107	1.1
163.03987	2.9
163.07640	1.3
164.98294	1.2
165.05394	0.9
171.04446	1.5
172.05151	1.6
173.06036	2.7
173.11829	1.1
174.03227	8.0
175.03825	2.6
175.07544	0.8
178.02715	2.0
182.03612	0.8
185.06091	1.3
187.03981	14.1
187.07582	3.2
188.04778	12.7
189.01828	2.0
189.05586	4.9
189.09076	1.0
190.02716	3.2
190.06374	1.9
191.03439	1.9
196.05289	23.6
199.04001	0.9
201.05537	1.7
202.02707	7.5
202.06245	1.2
203.07094	1.9
205.08678	1.4
209.06047	2.5
210.06844	2.1
211.07588	1.8
212.08362	1.6
213.05501	1.5
214.02751	1.1
214.06262	2.2
215.03500	1.1
215.07063	1.5
215.10681	1.3
216.07793	1.1
217.08731	4.5
217.13300	0.9
218.05798	1.4
219.06580	1.5
220.03650	3.5
225.09184	46.5
226.09486	2.9
227.07056	2.7
228.07841	7.0
229.08607	7.9
230.09146	1.4
231.16017	1.7
232.07367	6.3
243.02972	2.5
243.10239	42.1
244.07347	3.0
244.10451	3.8
245.08124	2.3
255.06439	1.9
259.09738	3.3
260.10522	23.2
261.11282	100.0
262.11636	8.5
273.07660	2.8
287.02066	6.3
287.09244	22.2
288.09415	2.2
305.02838	4.4
305.10257	53.1
306.10550	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97701	3.1
52.61641	3.5
58.39721	3.2
59.01376	4.1
61.98830	100.0
63.72658	3.3
64.75587	3.3
71.52412	6.4
73.88979	3.6
76.58128	3.2
78.95926	3.4
96.95985	14.3
121.18945	3.8
147.40601	4.2
161.98955	23.5
193.25507	3.6
197.90685	4.3
203.99915	7.3
204.89668	5.1
208.38992	5.1
209.38936	6.3
224.03267	3.5
240.87227	4.6
241.37167	5.6
242.37979	3.2
261.87228	6.5
263.34756	22.5
263.84894	42.8
264.34708	29.0
264.84683	19.4
279.88129	11.7
296.29364	3.7
299.95865	3.6
303.32690	24.9
303.82742	76.8
304.00024	16.8
304.32562	37.3
304.82794	16.6
305.00116	3.4
321.89346	6.4
322.88983	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	41.1
59.03298	0.6
62.77540	0.3
67.36185	0.3
69.81036	1.7
71.39062	0.3
85.53457	0.3
86.55686	0.3
131.46492	0.3
140.26039	0.3
148.08830	0.4
150.30392	0.3
168.13931	100.0
169.14284	5.6
192.16141	0.3
212.12932	3.1
304.19150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01379	6.7
61.98820	1.0
68.78484	0.7
69.46793	1.5
69.47198	3.9
71.01378	1.2
72.99311	1.1
73.02931	1.0
74.90557	0.7
82.02958	1.1
83.05030	1.3
85.02960	3.7
87.00871	1.9
95.05003	1.0
97.06567	1.1
99.04517	0.9
108.04574	1.0
110.06103	3.0
119.44353	0.7
120.04581	1.1
121.05350	4.8
122.06120	13.4
122.33640	0.6
132.04533	1.2
133.02925	0.7
134.06041	1.0
136.07603	1.4
137.02519	0.7
138.05620	0.9
144.04518	3.7
145.05327	16.6
146.06133	9.5
147.03232	2.3
147.06479	0.9
148.04042	2.3
149.04782	2.2
149.06049	1.6
149.23355	0.6
150.05562	1.1
159.03256	1.9
161.02478	1.0
162.05576	2.5
163.06378	11.9
164.07158	19.6
165.07492	1.1
166.05096	6.3
173.04651	0.9
176.03488	2.2
177.04292	9.3
178.04713	1.1
185.08223	0.7
187.03975	0.8
188.04706	0.8
194.04581	17.8
195.05360	17.0
196.06131	5.0
201.05487	1.0
208.06152	0.8
209.03250	3.1
215.06941	1.2
224.10730	1.1
227.04155	0.7
229.06299	1.7
243.12317	1.1
255.11388	4.4
259.10724	3.1
267.11359	6.6
273.12433	39.0
274.12753	2.9
281.80966	0.7
282.08835	0.9
285.12436	100.0
286.12741	9.9
288.61777	0.8
303.05475	0.9
303.08920	1.2
303.13916	12.3
304.14441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
59.01365	1.0
65.00315	5.6
68.99829	1.2
71.14337	0.7
72.99294	1.8
79.32334	0.5
81.25785	0.6
82.00608	1.1
84.99341	0.6
95.01386	2.3
96.99293	1.1
102.55912	0.6
110.00095	51.3
119.05018	0.7
122.00105	0.7
123.00880	13.0
124.01685	4.1
124.98826	1.3
136.98842	4.2
137.99583	8.5
139.00374	1.9
141.99075	2.3
151.00346	1.6
152.01161	14.0
152.98314	0.8
165.01942	1.2
165.99075	56.5
166.99821	5.9
178.99889	1.9
179.99074	1.0
180.00641	19.1
181.00949	1.1
183.13882	4.1
193.01402	2.5
195.02983	13.5
196.03346	0.8
229.04965	2.0
230.05710	1.1
255.02885	0.9
257.04431	1.1
258.05295	6.3
262.04849	0.7
283.02560	2.0
285.03949	2.2
286.04810	70.0
287.05154	6.5
301.07147	100.0
302.07492	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	301.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
70.96660	0.7
89.02456	0.5
91.04019	0.9
110.00095	0.3
130.27481	0.2
165.12817	4.1
165.99042	0.4
166.13210	0.3
182.01289	0.2
182.98265	0.2
183.13879	100.0
184.14223	5.6
209.11797	3.5
227.12837	4.8
286.04626	0.4
301.07077	0.8
301.16528	15.1
302.16840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
58.98000	0.2
60.97495	0.7
63.65461	0.2
70.27089	0.3
70.27452	0.6
74.99075	0.6
98.20672	0.3
100.88097	0.2
112.23492	0.2
118.96281	1.0
134.99393	4.7
136.97296	1.5
141.07393	0.4
143.05336	2.0
143.89902	0.2
150.98889	0.3
159.08438	1.1
161.06389	4.6
185.75067	0.2
201.04068	0.5
203.05637	2.7
205.03598	0.8
215.05714	0.9
217.07185	73.1
218.07343	6.4
283.11890	0.6
285.13449	32.3
286.03748	1.0
286.13666	3.6
301.16574	100.0
302.16757	13.6
306.20212	0.3
318.07114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89874	0.3
56.39364	0.3
59.01397	0.7
60.16746	0.3
65.00340	0.3
69.40015	2.5
84.94105	0.3
93.03473	0.8
98.69184	0.4
110.00066	0.5
111.00919	0.8
117.03460	1.1
123.00841	0.5
136.98778	0.4
139.00360	2.7
140.01160	4.7
159.04471	0.7
161.02289	0.4
164.98268	0.5
165.99063	5.5
166.99837	3.2
167.14365	1.5
168.00624	100.0
169.00951	3.8
183.02962	50.5
184.03317	1.9
187.03947	0.3
203.03473	0.4
211.13422	2.6
229.14436	3.1
231.02937	1.0
258.70044	0.4
268.86981	0.4
285.00378	0.7
288.04178	1.1
303.01422	0.6
303.07397	0.6
303.18027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
50.60150	0.5
53.36665	0.5
57.03459	0.7
59.01380	3.1
66.49210	0.5
69.03456	3.0
69.43587	0.5
69.92969	1.9
71.01392	0.9
73.02945	0.6
75.72569	0.5
77.39184	0.5
81.03473	1.0
83.01382	1.0
83.25754	0.5
85.02924	0.9
87.00874	17.9
91.05511	0.8
93.03467	1.5
95.01351	1.3
95.05012	1.7
97.02942	2.3
98.20529	0.8
107.01359	1.5
109.02956	1.0
112.04026	0.5
116.32004	0.5
119.05035	1.7
123.00914	3.3
124.01659	12.8
125.02445	45.8
126.02773	1.4
129.10318	0.6
135.04494	0.5
137.02432	4.2
137.06084	4.1
138.03169	0.8
139.04005	1.8
140.07147	2.0
145.70787	0.7
149.99585	26.4
151.00450	2.6
151.07645	2.5
153.70805	0.6
163.03984	2.3
167.03540	0.6
168.00633	62.6
169.01372	7.0
169.05051	0.6
181.05045	1.2
184.06152	1.0
189.52167	0.6
195.06523	0.8
198.90178	0.5
239.05589	1.4
241.03520	0.9
267.11682	0.6
283.04578	5.9
286.03809	2.3
301.05634	100.0
301.21530	1.0
302.06000	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	301.0716
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
59.01375	1.9
63.23142	0.5
68.99819	5.3
71.01350	0.6
71.54440	0.6
78.95895	0.6
87.00881	3.3
88.48547	0.5
89.03953	0.6
93.03468	0.9
97.06573	1.1
102.22919	0.5
104.72510	0.6
109.02956	0.5
117.03451	0.8
120.61620	0.5
121.02972	1.0
123.00789	0.6
123.52419	0.5
130.04237	0.8
130.99869	1.2
132.02139	1.3
139.03879	0.6
145.02927	1.9
146.03731	1.2
147.75792	0.5
148.01654	1.3
151.00381	1.3
158.03696	1.6
159.04488	0.5
160.01633	0.9
161.02461	2.9
162.03114	1.0
172.01805	0.7
172.05171	1.1
173.02409	1.7
173.09639	0.9
174.03197	7.1
176.01126	2.5
178.99765	0.6
183.13905	2.1
185.02417	1.1
185.06125	0.5
186.03130	0.8
187.03969	1.3
188.01074	0.7
188.04729	0.7
189.01944	2.2
190.02713	3.2
192.00241	0.8
198.03230	0.8
199.03996	1.4
200.04639	1.0
201.01917	9.4
201.05272	0.6
201.09326	0.7
202.02724	7.3
203.07086	1.6
204.00595	1.5
206.02187	0.6
211.03902	0.7
211.13406	1.0
213.01843	0.7
213.05670	1.0
215.03494	5.8
216.00627	1.7
216.04216	4.9
217.01318	2.7
217.04660	0.8
218.02127	2.6
226.02682	0.8
227.03439	0.7
228.99174	1.2
229.01399	14.9
229.04834	0.9
229.08690	1.4
230.02165	5.3
231.06572	0.8
239.03351	0.7
241.04910	0.7
242.02187	1.0
243.02997	9.9
244.00116	9.7
244.03601	3.2
245.00833	1.1
245.04308	0.8
245.08162	9.7
246.08415	0.9
255.02841	0.9
255.06787	0.6
257.00677	0.7
257.04446	5.4
257.07327	0.8
258.01694	0.7
271.02313	0.7
272.06873	1.1
273.07669	42.8
274.08002	4.1
286.01114	8.7
286.03903	3.6
287.01614	0.8
301.03397	11.0
301.07117	100.0
301.20227	2.2
302.04187	1.0
302.07489	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	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
68.01407	0.7
69.85082	0.8
69.85489	0.5
71.01373	0.5
80.85054	0.2
95.05024	0.4
97.77909	0.2
98.20609	0.4
108.02171	1.3
109.02507	0.8
110.02496	0.3
110.03237	0.3
122.02468	0.4
122.06075	0.2
123.03256	10.9
124.03610	0.3
124.07668	0.3
136.07669	0.2
137.04810	1.1
138.05595	100.0
139.05116	0.2
139.05954	3.3
152.01115	0.6
152.07179	0.5
153.01532	0.7
165.04277	0.5
167.05876	0.5
180.06653	1.7
285.03519	2.1
300.05740	0.9
300.08093	0.7
300.10867	7.2
301.11237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00331	0.5
54.20492	0.1
58.00592	0.2
59.01380	3.0
68.01408	2.9
69.03481	0.2
69.88869	0.7
70.02979	0.2
71.01403	0.9
72.99307	0.3
73.02959	0.2
74.02486	0.2
77.21647	0.1
85.02949	0.3
87.00867	1.0
88.04017	0.3
89.02458	0.3
93.03465	0.2
95.05035	0.3
96.04567	0.4
97.06587	0.3
101.02448	0.2
102.14668	0.1
103.95592	0.2
108.08232	0.2
109.01713	0.3
110.02489	0.2
110.06123	0.3
111.27380	0.1
113.02460	0.2
114.46083	0.1
118.98078	0.3
121.05345	0.2
122.02482	0.6
122.06143	0.3
123.03260	6.2
124.04034	0.5
124.07648	0.9
125.06072	0.3
130.08714	0.3
132.03087	0.2
136.03989	0.2
136.07729	0.8
137.04802	0.9
138.05606	100.0
139.04018	0.1
139.05959	3.6
140.07149	0.2
147.04472	0.2
149.02475	0.1
150.05617	0.4
152.03491	0.4
152.07172	1.6
164.07475	0.1
166.05081	0.2
166.08722	0.5
167.05869	2.5
168.06656	0.7
170.06345	0.1
173.04514	0.2
180.06657	5.6
181.07013	0.3
192.06577	0.2
210.07675	0.5
213.05200	0.2
222.07607	0.3
229.04791	0.4
240.04016	0.3
240.08780	0.3
241.04607	0.5
254.04222	0.2
256.03586	0.3
256.06766	0.3
284.02951	0.5
285.03586	4.4
286.03870	0.3
300.05951	2.6
300.10861	17.2
301.06403	0.2
301.07739	0.2
301.11325	1.0
301.16190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36776	0.1
63.02396	0.3
65.00320	1.3
66.01112	0.1
67.01885	0.3
68.99808	0.2
69.79961	0.4
71.17494	0.1
79.01864	0.1
81.49155	0.1
82.00610	0.1
86.77630	0.1
87.00874	0.1
91.01887	0.6
92.99827	0.1
93.03442	0.2
95.01355	0.4
107.01363	0.4
108.02204	0.3
109.02950	0.5
110.00089	0.7
117.03438	0.1
119.01381	1.0
121.02936	0.2
122.03746	0.1
123.00893	0.5
124.01655	0.3
129.03458	0.1
131.04997	0.1
132.02167	0.2
133.02953	0.4
134.00073	0.2
135.00868	1.5
136.01630	0.1
136.98775	0.5
137.02483	0.1
139.00352	0.2
143.05013	1.0
145.02977	0.3
146.03711	0.7
147.00870	0.5
147.04478	0.1
148.01654	8.5
149.02443	2.0
149.99608	0.5
150.03229	0.1
151.00359	0.5
154.04204	0.1
155.05016	0.5
156.02110	0.2
157.02939	1.2
158.03706	0.4
159.04497	2.1
160.05185	0.2
160.98810	0.1
161.02431	0.3
161.99556	0.3
163.00356	5.5
164.01025	0.5
165.99039	0.2
166.99913	0.1
169.01549	0.2
169.02979	0.3
170.03749	0.6
171.04489	3.1
172.05287	1.8
173.02367	0.3
173.05623	0.2
174.03165	0.3
175.03990	0.3
177.01820	0.1
178.99864	0.1
181.02960	0.2
182.03683	0.6
183.04498	1.4
183.13907	0.1
184.04820	0.1
185.02434	0.4
186.03067	0.1
187.03975	1.6
188.04842	0.5
189.01907	0.1
189.05325	0.1
189.99060	0.3
190.02600	0.2
190.99843	10.7
192.00580	2.2
197.02428	0.6
198.03177	1.3
199.03979	5.9
200.04724	1.9
201.01924	0.3
201.05173	0.1
202.02675	0.2
203.03481	0.5
204.04051	0.1
210.03091	0.5
211.03967	2.4
212.04439	0.2
213.01799	0.4
214.02632	0.3
215.03477	3.1
216.04247	2.8
217.04720	0.2
218.02167	0.1
219.02890	0.2
222.01616	0.1
225.01904	0.8
226.02673	2.0
227.03462	10.0
228.04062	1.7
229.01291	0.2
229.04654	0.1
231.03000	0.2
238.02574	0.2
239.03465	1.0
240.03941	0.2
241.01395	0.1
242.02074	0.5
243.02946	4.8
244.03719	2.7
245.04240	0.3
253.01448	1.1
254.02127	1.0
255.02956	6.7
256.03717	10.9
257.04025	0.9
258.01691	0.2
269.00723	0.1
270.01572	0.1
271.02448	7.6
272.03055	1.7
273.03842	0.4
281.00845	0.2
282.01682	0.8
283.02411	2.2
284.02838	0.3
285.03552	0.8
286.01028	0.1
288.02832	0.1
299.01944	10.2
300.02698	100.0
301.03064	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05037	0.6
57.30196	0.6
59.01371	1.9
68.01391	0.6
69.63574	4.2
81.03457	1.2
85.02946	1.0
87.00871	0.8
93.03445	2.2
108.02171	100.0
109.02988	15.8
109.20943	0.7
110.03365	0.7
121.02961	1.1
123.03270	6.9
132.02171	1.8
133.02986	1.5
137.02434	3.1
137.04918	0.8
138.05605	62.5
149.06073	0.7
151.04008	1.9
152.01144	65.0
153.01949	17.8
154.02260	0.7
160.45232	0.6
163.00357	1.0
163.03961	0.8
165.01877	0.7
178.50789	0.6
180.06577	1.6
183.04607	0.7
190.99846	4.3
199.03952	0.6
200.04700	1.9
203.98145	0.6
210.03189	0.7
211.03981	2.1
212.04666	1.1
227.03499	3.6
228.04210	3.4
228.44032	0.7
239.03467	1.3
240.04269	7.5
255.02939	5.2
256.03632	1.9
263.98218	0.7
283.02496	5.0
284.03244	78.5
285.03583	6.1
299.05267	24.9
299.07745	58.8
300.05585	2.0
300.08026	3.6
300.10742	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	299.0557
Annotation	Diosmetin
Peak:m/z	Relative Intensity
50.24577	0.1
61.89504	0.1
65.00319	0.4
65.36683	0.1
68.99803	0.2
69.42141	0.3
69.42564	0.3
78.06890	0.1
82.00663	0.1
98.19894	0.2
110.00115	0.4
117.03439	0.1
119.01324	0.2
123.00869	0.1
130.04224	0.1
131.04948	0.1
132.02156	1.1
133.02946	1.3
135.00867	0.2
135.60577	0.1
136.98764	0.1
137.99478	0.1
143.04973	0.2
147.00882	0.2
154.04274	0.1
155.05009	0.6
156.05740	0.2
159.04468	0.2
163.00343	1.6
164.01096	0.2
165.99051	0.1
167.04926	0.1
168.59935	0.1
169.02921	0.1
171.04463	0.2
172.05270	0.2
174.03180	0.2
182.03734	0.2
183.04468	1.3
184.05309	0.7
187.03961	0.4
190.99843	4.4
195.04678	0.1
199.04019	1.6
200.04774	2.9
201.05272	0.1
203.03455	0.1
206.02129	0.1
210.03139	0.4
211.04007	2.0
212.04852	0.6
227.03456	4.3
228.04247	3.4
228.05914	0.1
229.04465	0.1
231.02985	0.1
232.03671	0.2
238.02721	0.3
239.03491	2.5
240.04254	8.9
241.04532	0.3
255.02971	5.1
255.06798	0.3
256.03659	1.5
266.01959	0.3
267.02853	0.5
283.02441	5.7
284.03229	100.0
285.03564	3.1
299.05569	91.2
300.05930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17269	0.5
69.19819	5.0
71.45530	0.4
76.49496	0.4
77.69142	0.5
104.37304	0.6
132.02156	0.6
135.00839	1.1
148.01625	2.1
150.03192	0.5
151.00414	0.6
163.00410	0.9
183.04463	0.7
190.99834	1.7
194.49634	0.5
199.03990	1.5
200.04678	1.8
211.03925	2.8
212.04686	1.3
227.03503	5.4
228.04146	2.1
239.03551	2.2
239.05522	0.5
240.04292	5.1
255.02911	6.1
256.03650	2.3
267.02890	0.7
283.02484	5.8
284.03238	100.0
285.03574	5.7
299.05591	79.5
300.05914	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65003	0.3
63.32399	0.3
65.00309	0.5
69.13345	0.3
70.72158	0.8
71.51430	0.3
110.00060	0.5
132.02133	0.9
133.02927	1.4
163.00342	1.6
171.04402	0.5
183.04431	0.6
184.05188	1.0
187.03908	0.4
190.99867	5.6
199.04047	1.7
200.04817	2.5
210.03227	0.6
211.04007	2.2
212.04759	0.6
222.69678	0.4
227.03470	4.7
228.04268	3.6
239.03456	2.3
240.04272	11.3
241.04631	1.1
255.02956	5.6
256.03647	2.3
267.02670	0.5
283.02457	6.9
284.03238	100.0
285.03592	8.8
299.05588	63.7
300.05939	5.6
313.43866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0554
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.62603	0.3
69.83958	1.8
79.59452	0.4
110.00066	0.5
127.52434	0.4
132.02132	1.0
133.02910	1.7
144.51289	0.4
151.73817	0.4
155.04988	0.4
158.67514	0.3
159.04486	0.4
163.00293	1.1
178.35994	0.4
183.04469	1.0
184.05237	0.8
187.04045	0.7
190.99852	3.7
199.03938	1.8
200.04756	3.2
210.03186	0.6
211.04015	1.9
212.04713	0.4
218.85162	0.3
227.03453	4.3
228.04260	3.7
239.03485	2.2
240.04233	9.8
241.04500	0.6
255.02953	4.1
256.03629	1.7
266.02255	0.5
267.03113	0.5
283.02441	5.8
284.03223	100.0
285.03522	7.7
299.05576	57.2
300.05917	6.4
315.21954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	Koparin
Peak:m/z	Relative Intensity
59.60050	0.3
65.00304	0.6
66.65617	0.3
69.41567	2.8
78.89324	0.4
80.92854	0.4
104.75192	0.3
132.02115	1.5
133.02890	1.3
155.04942	0.6
163.00285	1.6
164.01021	0.4
183.04446	1.1
184.05287	0.5
187.03970	0.6
190.99838	4.7
199.03978	1.7
200.04761	3.7
211.03976	2.1
212.04756	0.8
227.03506	4.5
228.04265	4.0
238.02795	0.6
239.03506	2.6
240.04295	10.1
241.04558	0.7
255.02965	5.5
256.03696	2.0
267.02902	0.6
283.02460	7.1
284.03244	100.0
285.03564	8.1
299.05591	64.8
300.05905	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	298.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92884	0.4
57.03431	0.4
59.01373	1.3
59.43419	0.3
61.98819	0.4
66.03492	1.1
66.17656	0.3
69.35805	1.8
69.36221	0.7
80.05033	0.7
81.01146	0.4
81.03432	0.4
83.05050	0.7
85.02939	0.4
87.00888	0.9
89.65913	0.3
93.03451	5.4
95.91762	0.3
108.02186	1.2
111.04501	1.5
111.57256	0.3
115.60012	0.3
121.02930	0.6
123.44879	0.3
124.04035	100.0
125.02434	0.4
125.04366	3.1
127.04012	0.4
132.02187	0.6
133.02928	0.7
137.02437	6.5
155.03491	2.0
156.97668	0.3
163.00385	0.8
173.04533	3.2
179.03485	0.8
183.04442	0.4
190.99808	2.6
199.04036	0.7
200.04823	1.2
211.03986	1.2
227.03508	1.5
228.04318	1.4
239.03470	0.7
239.05608	0.8
240.04257	4.0
255.02937	2.2
256.03784	0.4
283.02408	2.7
284.03238	41.7
298.05927	0.5
298.09259	3.4
299.05554	25.7
313.93655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01379	3.1
60.29816	0.4
60.99305	0.6
67.01890	4.0
68.56335	0.5
68.76108	0.4
69.03445	1.0
71.01379	3.9
72.12080	0.5
72.99301	0.9
74.02481	0.5
75.00868	1.3
81.03451	1.0
83.05011	1.3
87.00855	1.1
93.03453	25.0
94.03767	0.6
96.96053	0.6
99.04474	0.4
101.02438	0.6
107.05051	0.5
109.02953	0.9
111.00887	1.0
111.04530	4.2
119.04958	0.4
124.04035	19.2
125.04356	0.7
132.02145	0.7
133.02985	0.6
137.02437	5.5
137.06059	0.9
143.07079	0.4
155.03471	4.3
156.79980	0.4
163.00403	1.1
173.04529	100.0
174.04854	3.5
183.04529	0.6
190.99832	3.0
199.04076	1.0
200.04713	1.3
211.04034	1.1
211.09807	0.9
224.64188	0.4
227.03540	2.6
228.04211	1.9
239.03476	1.5
240.04268	5.3
240.41350	0.4
255.02966	2.8
256.03784	0.9
283.02374	3.4
284.03226	55.7
298.09311	5.4
298.13687	1.0
299.05563	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60170	0.3
58.71637	0.3
64.43102	0.3
65.00298	0.4
69.41252	2.3
82.94948	0.3
87.35571	0.3
110.00066	0.4
114.26901	0.3
132.02136	1.3
133.02927	1.2
138.13570	0.3
155.05014	0.4
156.05754	0.4
163.00404	1.5
171.04472	0.3
183.04485	0.9
184.05246	0.9
187.03934	0.5
190.99841	4.2
199.03992	1.6
200.04770	4.1
200.22664	0.3
200.66545	0.3
210.03175	0.6
211.04007	2.2
212.04652	0.9
227.03491	4.7
228.04240	3.9
238.02628	0.4
239.03481	2.7
240.04277	11.0
241.04637	0.9
255.02983	6.1
256.03665	1.8
266.02039	0.4
267.02890	0.5
283.02469	6.2
284.03244	100.0
285.03583	8.3
299.05594	62.4
300.05936	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	297.0767
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
64.57814	0.5
65.24318	0.5
83.35920	0.5
114.32136	0.5
125.37979	0.6
155.05070	0.9
167.05016	1.4
183.04512	4.3
195.04497	15.3
196.04881	1.0
210.06815	0.7
211.03983	12.3
223.03941	3.0
225.05565	0.8
229.71523	0.5
238.02771	0.8
239.03474	55.3
240.03799	4.0
254.05830	28.6
255.06180	2.1
266.02203	0.6
267.02942	11.3
268.03085	0.7
281.04550	1.2
282.05316	100.0
283.05621	8.4
297.07651	94.5
298.08017	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01866	1.5
55.30046	0.7
56.61666	0.8
56.63783	0.7
57.03454	1.3
58.00603	2.0
59.01377	100.0
60.01715	1.1
69.38619	5.6
69.39026	1.7
71.01379	42.9
71.27921	0.8
72.99299	2.2
73.02945	8.1
75.00877	0.9
79.50987	0.7
81.03461	1.7
83.01388	4.1
85.02951	13.9
87.00873	2.9
87.04572	0.9
89.02443	48.3
90.02796	0.8
93.03457	13.8
95.01382	3.2
99.00871	1.4
101.02439	26.8
103.04006	1.4
110.07230	1.4
113.02447	18.0
119.03502	20.2
131.03516	2.4
135.06633	17.8
137.96498	0.8
143.03482	3.8
149.04494	1.5
154.06227	1.6
159.02989	1.1
161.04532	15.1
179.05608	13.0
211.90010	0.9
237.09764	7.3
256.13083	1.1
263.03320	0.9
297.11905	45.6
298.12015	1.4
298.14188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.6
61.98827	100.0
71.01373	2.0
71.53625	1.8
72.64339	1.3
80.96522	1.8
85.02959	1.4
87.00867	2.3
89.02476	1.3
91.05540	1.5
93.03455	21.4
95.01388	1.5
96.96947	2.1
99.32373	1.6
101.02401	2.3
108.02159	11.9
109.02956	2.2
113.02398	1.6
117.03467	2.5
119.05035	4.5
120.05376	1.3
121.02885	1.7
122.03732	2.1
124.04032	20.2
125.02452	3.9
129.03445	4.3
137.02449	31.7
138.03194	2.1
145.02948	77.3
146.03745	38.4
147.04520	45.5
148.04805	1.6
152.01111	7.3
153.01912	2.3
153.05557	5.1
161.02473	3.6
173.04529	2.3
191.03493	14.9
201.14734	1.5
211.06099	2.0
235.02463	48.5
236.02763	3.4
243.06189	1.4
284.03177	11.1
297.24335	2.1
298.09381	4.2
298.13724	2.4
299.08121	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.07679	0.6
53.10086	0.6
56.40148	0.6
57.03428	1.0
59.01367	0.7
63.65757	0.5
64.19564	0.6
69.03440	0.7
70.71924	1.7
82.65227	0.6
99.08133	0.6
123.43311	0.5
125.09712	0.9
141.18483	0.6
165.82997	0.6
171.10260	36.8
172.10590	1.4
195.13870	0.6
204.10541	0.7
215.68311	0.7
233.22765	0.8
259.20593	0.8
269.89151	0.6
277.21701	48.5
278.22037	4.9
295.22757	100.0
296.23117	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	297.0765
Annotation	3-Hydroxy-3',4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
59.01392	2.5
64.40122	0.7
65.00024	0.6
65.00341	1.6
71.01385	0.7
75.14335	0.6
91.87941	0.5
94.73119	0.5
104.77515	0.5
117.03496	0.6
119.01398	1.4
132.02191	1.0
136.98813	2.1
141.03453	1.3
143.05055	0.9
145.02919	1.2
147.00870	0.7
155.05026	1.3
157.02972	0.9
158.03775	1.3
161.02419	0.6
167.05014	1.2
169.02922	1.5
170.03712	1.9
173.02437	0.7
182.03749	1.0
183.04485	3.5
185.02538	1.0
186.03265	1.6
195.04504	12.8
197.02428	2.3
198.03183	3.8
200.01122	3.2
201.01973	0.7
210.03270	1.7
210.06754	0.7
211.03987	12.9
212.04398	0.8
213.01888	1.7
214.02679	2.5
223.04013	3.5
225.01930	1.1
225.05603	0.8
226.02773	3.0
238.02667	1.2
239.03465	54.9
240.03737	4.8
241.01437	3.6
242.02216	2.1
253.05115	1.3
254.05804	25.2
255.06154	2.0
266.02127	1.4
267.02939	10.7
269.00894	3.6
270.01678	5.1
281.04474	1.3
282.05310	100.0
283.05618	8.0
297.00772	3.8
297.07648	86.4
298.01129	15.8
298.08011	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86893	0.4
57.03450	0.6
59.01378	100.0
60.01708	1.2
69.37288	0.4
70.30381	0.4
71.01373	2.7
71.01736	0.4
71.53104	0.5
72.99323	1.0
73.02959	0.9
79.84084	0.5
80.96518	0.6
83.05044	1.7
85.02958	2.1
87.00866	1.0
89.02424	1.0
91.72205	0.4
93.03483	1.4
96.96025	0.8
99.00886	0.6
101.02438	2.7
113.02482	1.1
115.00412	0.8
119.04289	0.6
119.04980	2.7
121.02954	4.1
123.04532	1.7
131.04980	0.5
132.03003	0.8
133.01468	1.7
133.02899	2.4
133.06587	0.5
135.04564	1.0
137.06123	1.0
145.06628	0.7
147.04536	1.5
148.05182	0.5
148.48291	0.4
149.06143	0.7
161.02538	0.6
161.04697	1.0
161.06113	2.4
162.06772	0.6
163.04059	0.7
163.07620	0.8
166.05106	1.3
173.04585	0.4
173.06023	0.8
175.04080	1.1
175.11362	1.0
177.05573	0.7
187.04074	0.5
191.07179	2.1
193.54004	0.4
205.05058	6.9
205.06815	0.6
205.12384	1.5
206.05515	0.8
214.04753	1.1
235.11931	3.0
251.05699	0.9
253.07126	0.9
282.34714	0.6
295.05627	0.9
295.08655	1.1
295.12244	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.77508	0.3
57.03433	0.8
59.01088	0.3
59.01371	1.9
69.85033	1.7
70.77237	0.4
71.51649	0.3
86.56686	0.3
97.06557	0.6
109.80276	0.3
111.61382	0.3
113.09707	2.1
134.73105	0.4
134.74210	0.3
136.66388	0.3
171.10280	0.6
177.12895	0.4
179.14412	0.9
195.13892	16.5
196.14218	1.5
251.23817	0.5
251.65811	0.4
277.21695	17.8
278.22079	1.8
285.81366	0.4
295.22757	100.0
296.23099	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	293.2122
Annotation	Colneleate
Peak:m/z	Relative Intensity
59.01381	0.8
61.98814	0.9
63.55680	0.5
68.99567	2.2
70.60098	1.0
70.60455	0.8
70.99090	0.5
71.01370	0.7
77.60765	0.4
79.95742	2.0
95.95216	0.6
96.96007	100.0
101.18765	0.5
103.28499	0.4
112.98553	2.9
114.41879	0.4
117.03454	0.5
117.16459	0.4
127.11272	0.8
133.02888	0.5
138.24161	0.5
139.11284	6.5
140.11679	0.4
141.76410	0.4
153.09216	2.1
161.04562	0.4
171.10258	22.9
172.10640	0.8
192.11540	0.7
193.15981	0.9
193.54471	0.5
195.57111	0.5
218.03438	0.4
220.14693	2.2
221.15430	4.5
236.10449	3.3
265.21786	0.7
293.17938	83.2
293.21249	35.7
294.18240	6.0
294.21582	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28721	0.6
57.03435	1.4
57.64569	0.7
59.01377	6.8
61.98808	2.0
69.03417	0.9
69.56669	1.4
69.57083	2.0
71.01379	3.0
71.05004	1.0
83.05016	0.9
85.02955	0.8
87.00905	0.8
87.73985	0.5
89.02416	2.5
96.96004	1.6
97.02961	1.0
98.19904	1.2
99.00851	0.6
101.02435	0.7
117.03459	1.0
121.02897	0.7
123.08089	0.7
136.08893	1.6
141.09180	0.8
145.02916	2.3
151.11298	3.3
153.09236	1.1
161.02324	0.9
161.04533	1.8
169.12283	2.4
171.10309	0.6
177.09213	0.6
192.11462	1.2
193.15984	3.2
197.11812	31.3
198.12196	1.9
205.01445	1.0
220.14655	5.2
221.15436	9.5
231.21075	1.7
236.10519	6.3
249.18484	1.7
275.20129	21.6
276.20517	1.6
293.08893	3.1
293.21188	100.0
294.21472	9.9
306.95679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01374	2.3
60.99294	0.7
67.01885	4.4
68.22475	0.4
69.03444	1.1
70.39021	0.4
70.90980	0.9
71.01377	3.0
71.16857	0.3
81.03456	0.7
82.53568	0.3
83.05025	1.0
85.02958	0.4
87.00857	0.3
87.14348	0.3
93.03455	23.3
94.03778	0.6
97.91277	0.4
109.02949	0.8
111.00854	0.8
111.04519	4.6
121.02959	23.7
122.03304	1.1
127.03991	0.5
137.02451	4.2
152.51924	0.4
155.03482	4.2
173.04541	100.0
174.04892	3.4
295.08197	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31021	0.6
57.03423	0.8
58.97579	0.6
59.01379	100.0
60.01714	0.9
61.98847	1.5
69.75071	4.0
71.01384	12.1
72.99312	1.1
73.02953	2.6
75.00883	1.2
78.95920	1.0
83.01411	1.3
83.05064	0.8
85.02953	5.0
87.00883	2.5
89.02444	8.8
93.03463	1.7
97.02932	1.1
98.20695	0.7
101.02448	9.8
103.04002	0.7
113.02457	4.2
115.04015	1.7
119.03492	3.7
120.95501	0.9
122.02474	9.8
133.05070	1.7
136.94113	1.0
147.06699	1.6
147.42758	0.7
161.04587	2.9
173.04581	2.0
235.08253	1.1
235.77228	0.7
236.30925	0.7
251.07861	0.9
294.93948	0.9
295.05051	0.9
295.10437	12.6
295.14044	3.1
296.07562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
69.58891	0.9
71.16994	2.6
93.34626	1.1
121.10187	1.2
126.65822	1.1
136.40666	1.0
179.14485	1.1
195.13913	10.6
196.14644	1.2
223.13390	12.0
224.13829	1.3
228.13802	1.3
256.13260	5.3
275.20099	9.0
293.21219	100.0
294.21503	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01377	2.1
61.98816	0.9
71.01380	1.7
71.53889	0.6
72.26072	0.4
73.02952	0.4
81.03461	0.5
83.01377	0.6
83.06593	0.4
85.02937	0.6
87.00890	0.7
89.02435	1.3
90.92747	0.4
93.03436	0.4
96.96003	1.5
101.02436	0.4
117.03436	1.0
121.10218	3.4
133.02989	0.7
145.02977	1.5
161.02425	0.4
161.04524	0.9
171.10248	5.6
177.01958	0.6
177.09242	0.4
179.14346	0.5
181.15955	0.6
191.14339	0.7
192.11537	1.4
193.15955	1.5
195.13925	0.9
220.14711	2.6
221.15439	5.0
223.13321	0.8
225.14937	1.0
236.10547	5.3
249.18594	0.6
249.22212	0.7
275.20151	10.2
276.20419	1.0
293.08694	2.2
293.21194	100.0
294.18185	0.8
294.21527	10.4
313.58313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.1
59.01366	2.1
61.42273	0.6
70.71567	1.1
94.32847	0.5
97.06550	0.9
113.09719	20.0
118.75397	0.6
121.10217	0.6
135.11787	0.7
139.11250	2.0
141.26067	0.6
149.09709	0.6
156.17004	0.6
167.10750	2.4
171.10240	1.2
177.12859	1.2
177.14577	0.5
179.10728	1.9
185.88312	0.5
195.13890	3.2
213.71822	0.6
221.49454	0.5
224.39325	0.6
244.08121	0.5
249.22224	2.2
275.20157	2.2
293.21191	100.0
294.21521	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
67.10670	0.5
75.55324	0.5
97.06567	0.6
103.67434	0.7
123.08149	0.7
125.09681	3.5
141.12825	1.9
149.09694	2.1
152.44130	0.6
185.11797	11.6
185.67329	0.6
197.11792	2.6
249.22202	1.2
293.21207	100.0
294.21548	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51252	0.5
57.03421	0.9
58.00578	1.7
59.01377	42.6
60.01705	1.1
69.51113	0.6
69.66611	2.9
69.67024	1.4
71.01377	18.8
72.99312	0.8
73.02938	1.4
73.70410	0.6
83.01390	2.1
85.02961	4.6
85.06585	14.4
87.00848	1.0
89.02438	19.7
95.01385	0.9
95.55930	0.6
98.42030	0.6
101.02444	12.3
113.02438	7.9
113.06082	2.7
115.07650	2.6
119.03500	8.6
120.05326	1.1
127.07653	1.7
128.03590	0.8
131.07137	58.7
132.07460	2.0
146.04570	1.3
173.08173	1.7
243.03168	0.7
293.12405	100.0
294.12711	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1757
Annotation	Agglomerin C
Peak:m/z	Relative Intensity
57.17115	0.3
62.51436	0.3
69.74148	1.2
71.01379	8.6
71.01775	0.5
90.91523	0.3
127.07642	0.7
145.11467	0.3
148.05275	0.8
151.07590	0.4
163.67821	0.3
164.08421	0.7
177.09212	4.1
192.11519	7.1
193.12225	0.7
194.97261	0.3
196.07286	0.3
205.12309	6.9
207.13896	0.9
217.08502	0.5
218.09482	1.9
219.09763	0.3
220.14661	49.0
221.15434	100.0
222.15770	7.7
235.13470	1.0
236.10509	69.3
237.10927	4.9
293.14215	0.6
293.17554	12.4
294.08984	0.3
294.17743	0.9
294.20959	0.3
294.61615	0.3
299.65744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
70.44718	1.4
70.85719	2.6
77.70485	1.3
82.23171	1.5
121.10229	40.2
122.10632	1.9
125.09775	1.9
133.40817	1.3
143.67981	1.3
171.10262	79.2
172.10579	3.6
177.16486	2.6
185.11813	4.4
197.11870	1.5
231.21138	5.4
275.20142	100.0
276.20493	10.0
293.21207	57.1
294.21497	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	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32130	0.7
57.03429	0.7
58.24274	0.7
58.67667	0.6
59.01379	5.1
71.01379	2.9
80.96503	1.1
82.02982	1.9
85.02953	2.1
87.00890	1.9
89.02457	2.0
93.03454	3.1
96.04543	1.0
97.02946	0.9
97.06599	1.4
99.00848	1.0
102.05598	12.3
117.03475	3.7
119.05024	100.0
120.05355	3.2
123.04551	0.9
128.03539	27.5
129.03902	1.6
131.05048	0.9
145.02946	27.0
146.04587	48.3
147.04555	2.5
161.02475	0.8
162.05569	1.4
163.03999	18.4
164.04416	1.2
172.02515	2.6
173.04558	1.5
175.04163	0.9
186.09042	0.8
188.07164	0.8
190.41060	0.8
201.09142	0.8
202.08714	6.6
204.10300	2.1
212.07478	0.8
217.08784	0.7
230.08153	2.7
248.09241	3.7
265.08231	0.8
274.07242	9.6
275.07559	0.9
292.04984	1.7
292.08264	33.1
293.08148	2.4
293.13947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
53.53122	0.5
54.38812	0.4
55.30122	0.4
58.02974	1.2
59.01375	3.8
61.98822	0.8
62.21037	0.5
71.01377	1.9
71.45476	0.7
71.89409	0.5
77.63928	0.5
79.95750	0.4
89.02437	0.9
96.95988	0.8
97.06589	0.8
113.03206	0.4
113.09710	0.6
117.03481	1.0
125.09715	1.3
129.61841	0.4
133.02966	0.6
145.02937	2.0
151.74644	0.5
156.13922	100.0
157.14291	4.4
161.04514	0.9
185.11803	2.1
188.06294	0.4
197.11726	0.5
200.12918	4.5
220.14703	2.9
221.15445	6.1
233.10188	0.7
235.29799	0.6
236.10480	4.5
245.46977	0.5
269.52979	0.5
292.20016	7.5
293.08792	2.7
293.11908	0.6
293.17947	1.0
293.21194	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	1.0
59.01374	4.7
64.51807	0.5
69.97102	1.9
71.01373	1.6
72.99290	0.5
89.02461	0.8
98.20541	1.0
117.03409	0.6
121.10213	0.5
122.86667	0.4
129.91571	0.4
138.51869	0.4
139.11383	0.5
145.02974	1.3
156.13922	100.0
157.14334	3.5
161.02481	0.7
161.04552	0.6
171.10262	0.9
189.02029	0.5
200.12871	4.8
205.01477	0.6
220.14629	3.4
221.15390	5.5
233.10396	1.0
236.10497	4.4
275.20178	1.1
292.19882	7.5
293.08716	2.4
293.17569	1.7
293.21155	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	293.0877
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
58.00584	4.4
59.01377	83.8
61.92409	1.7
64.74864	1.3
69.01624	1.7
69.03462	10.0
69.45847	9.5
71.01379	86.4
72.99314	4.4
73.02940	12.5
75.00866	2.3
81.03452	4.8
83.01386	8.4
84.30761	1.5
85.02946	9.8
87.00863	16.4
87.77559	1.4
88.63770	1.8
89.02441	100.0
94.49818	1.5
95.01393	3.6
97.02940	14.3
97.06600	2.4
99.00880	13.4
101.02438	12.0
106.38227	1.7
112.48377	1.6
113.02467	7.8
115.04017	6.1
123.04540	5.8
125.02443	37.5
130.99867	5.7
131.03502	5.3
133.05840	1.5
137.02423	2.1
139.07661	2.5
143.03558	2.8
145.17406	1.9
147.04509	6.6
149.04553	5.2
149.06023	3.6
155.03493	1.7
159.04449	1.7
161.04529	3.9
172.05334	1.9
173.04518	2.9
173.06018	3.0
174.03214	2.3
188.04726	2.7
191.05582	4.4
193.05067	2.8
201.09109	1.9
204.04205	1.6
217.05064	2.5
217.08676	2.6
230.54778	1.7
233.06625	22.4
243.10199	4.4
255.05104	3.2
267.00806	1.7
293.08734	7.5
307.57458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0877
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.02814	0.8
55.01873	2.1
57.03447	1.7
58.00596	4.3
58.89672	0.8
59.01377	99.6
60.01722	1.0
60.70423	0.7
61.38169	0.8
61.98829	0.9
68.74741	0.7
69.03448	8.8
71.01379	92.8
71.48712	0.9
72.01728	1.3
72.99302	7.9
73.02939	13.0
75.00876	2.8
80.67896	0.7
80.96519	1.1
81.03467	5.3
83.01382	6.6
85.02947	14.8
85.06609	1.4
87.00878	4.7
88.04030	5.5
89.02440	100.0
90.02821	1.5
93.03476	1.3
95.01402	2.9
96.96012	0.9
97.02948	11.3
99.00874	14.1
99.04510	1.9
101.02445	21.6
102.05614	2.7
103.04013	0.9
103.05943	0.8
109.03033	0.9
111.00897	2.9
113.02441	10.9
113.06100	2.8
115.00357	1.9
115.04001	5.9
117.03455	1.7
119.03498	7.0
119.05051	2.2
120.05350	2.8
120.38006	0.7
125.02439	32.1
126.02797	1.2
128.03513	1.6
129.03926	1.6
131.03505	7.0
131.07138	8.1
132.03021	16.3
133.02997	1.1
135.04527	3.4
143.03513	4.0
145.02968	2.8
146.03461	1.2
146.04593	4.1
147.02927	1.0
147.04880	2.2
149.04552	6.4
161.02492	1.4
161.04591	3.6
162.03055	0.9
173.04536	2.7
179.03497	0.9
189.05524	1.1
191.05635	2.6
215.05527	0.9
233.06638	20.4
233.10220	1.1
250.07402	1.3
251.11386	1.7
275.07480	1.2
293.08731	11.0
293.12427	48.3
294.06042	1.3
294.09399	1.0
294.12866	3.1
308.40903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35954	0.5
55.01857	0.8
56.87861	0.5
57.03444	0.6
58.00574	1.7
59.01377	35.4
60.01712	0.6
64.97418	0.5
65.58879	0.5
67.10625	0.5
70.83366	1.6
71.01378	16.9
72.99297	1.3
73.02932	0.7
76.96334	0.6
83.01382	2.0
83.17800	0.5
83.92525	0.6
85.02936	3.8
85.06584	12.3
89.02442	17.6
95.01378	1.4
100.00419	1.1
101.02429	10.7
113.02460	6.8
113.06057	2.9
115.07639	1.7
119.03497	8.6
119.04885	0.7
127.07652	1.3
131.07132	55.7
132.07445	1.8
137.55132	0.5
143.03517	1.3
145.03049	0.8
146.04533	0.9
147.04901	0.7
148.06334	0.6
173.08150	1.9
179.05641	1.2
180.65332	0.5
203.35059	0.6
227.53925	0.6
235.44580	0.7
259.37387	0.6
260.66034	0.6
271.96194	0.6
293.12396	100.0
294.12726	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	291.1963
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
58.80059	0.5
59.01365	1.7
61.98816	2.5
69.03430	0.9
70.38580	1.9
70.38936	0.6
71.01359	1.0
73.02938	0.7
76.06606	0.5
78.01451	0.5
108.05817	0.7
114.75716	0.5
121.02949	1.0
125.09676	1.1
127.11268	2.6
137.09709	16.1
138.10028	1.0
142.52238	0.5
147.00856	0.7
153.09225	1.4
171.10255	100.0
172.10568	4.4
187.47708	0.5
230.99327	1.2
263.20160	1.5
273.18640	0.9
291.01498	0.9
291.19650	10.1
291.22638	0.9
292.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.0
70.02962	1.7
71.01374	4.0
72.00898	1.1
74.64500	1.1
87.00871	2.3
93.03459	34.6
96.00940	1.2
109.02821	1.3
112.03970	1.7
114.01953	8.4
117.03450	7.3
119.05028	78.4
120.05355	2.7
129.01958	1.3
130.04242	4.5
131.05026	2.8
144.04576	13.2
145.02962	19.1
145.06625	6.3
145.33038	1.1
146.04646	1.2
146.04858	1.6
146.06114	16.5
147.04518	8.4
149.06059	1.7
157.05281	2.4
161.02420	1.8
162.05602	10.1
163.04008	2.1
167.16025	1.1
172.03917	1.6
172.07648	10.2
173.04727	5.4
173.06079	9.4
188.07161	100.0
189.07481	5.9
189.90575	1.2
205.08673	1.8
214.05064	3.0
216.04564	2.0
216.06656	38.9
217.04997	2.8
217.06978	4.2
249.07628	2.2
260.05634	11.5
292.07553	1.7
293.08078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15538	0.9
59.01379	2.3
70.83374	1.7
70.83729	1.2
82.02996	1.5
93.03467	1.2
102.05605	35.7
104.32001	0.9
104.95564	0.9
115.69073	0.9
117.03438	2.4
119.05025	65.3
120.05361	3.5
128.03545	43.7
129.01933	1.2
131.07135	1.2
141.04492	0.9
145.02954	28.2
146.04590	100.0
147.04865	2.9
163.04021	12.7
172.02475	1.7
202.08791	2.7
204.10356	1.0
230.08185	2.1
248.09259	3.8
274.07135	9.9
292.08258	31.0
293.08624	2.9
293.12314	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01379	0.4
59.79423	0.3
71.02184	0.6
77.72778	0.2
95.05000	0.5
97.06528	0.4
99.30711	0.3
119.05042	0.4
125.06046	0.7
131.00117	0.2
148.08911	1.6
149.09599	0.2
150.10478	0.8
151.11287	0.8
163.11255	1.1
165.12834	23.0
166.13167	1.1
175.11243	0.7
176.12016	0.9
177.12837	0.6
179.14401	0.4
179.74445	0.3
191.14444	0.8
193.12288	0.3
217.15884	0.7
243.68385	0.2
245.18950	0.3
247.20656	10.7
248.20998	1.0
260.10840	0.3
266.52533	0.3
269.08279	0.2
273.18567	5.8
273.21310	0.4
274.18945	0.6
291.19638	100.0
292.19968	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22426	0.3
56.94820	0.3
57.03432	2.0
70.84628	0.6
75.85563	0.3
83.63718	0.3
84.48266	0.3
93.07089	1.1
97.06593	2.0
119.08659	0.4
121.10226	15.2
122.10545	0.5
123.08143	1.3
125.09716	6.8
126.10056	0.3
131.79764	0.3
139.11247	0.4
141.12888	0.8
147.08151	0.9
154.27998	0.3
157.89655	0.3
163.11235	0.5
171.10161	0.5
185.11819	14.4
185.13478	0.7
186.12172	1.0
197.11835	3.5
209.11797	1.4
211.13316	1.6
223.13390	0.9
247.20654	1.0
273.18637	1.1
291.19635	100.0
292.19968	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
56.21006	0.6
61.98809	2.5
68.51120	0.6
69.72435	0.6
73.02942	49.7
74.03278	0.7
79.60549	0.7
98.20688	1.4
102.64531	0.8
121.02897	1.0
127.97881	0.8
147.60641	0.6
179.50027	0.7
219.02875	0.7
230.99211	1.4
247.02460	0.8
291.01312	1.2
291.19635	100.0
292.20013	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.23767	2.6
72.99279	2.6
78.00737	1.3
136.28835	1.5
160.60849	1.3
227.12712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92073	0.4
57.03438	0.7
58.08585	0.4
59.01376	35.3
69.57662	1.9
71.01375	1.6
73.02942	1.2
78.95879	1.4
83.05027	0.7
85.02954	0.5
87.00858	0.7
89.02453	0.4
93.03450	6.0
95.01437	0.4
96.96972	1.6
99.04546	0.4
101.02446	0.7
111.03838	0.5
111.04510	2.7
117.05573	100.0
118.05891	2.5
123.32892	0.4
127.04030	0.6
129.01939	0.5
129.05574	1.4
132.00473	0.4
155.03481	2.7
173.04535	20.1
174.04875	1.2
191.05630	1.7
209.22064	0.6
268.11880	0.5
291.10831	10.8
297.69476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.108
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
54.44035	0.5
57.03446	10.5
59.01380	1.6
62.98064	0.6
65.03968	1.7
69.03457	4.0
69.25278	5.3
71.05016	0.7
71.56195	0.5
73.02953	2.3
79.05553	1.1
81.03461	2.1
83.05005	1.0
84.50128	0.6
85.02945	3.2
87.00879	2.3
87.75295	0.5
89.81357	0.7
95.05025	2.1
97.06595	4.0
101.02437	12.5
108.02176	0.6
109.02937	3.7
110.96464	0.5
113.02432	1.3
117.03543	0.7
119.05036	1.9
121.02931	1.4
122.03751	2.4
123.04521	0.9
123.08172	1.3
129.03471	1.4
129.07086	0.7
130.04253	1.3
133.02957	1.4
134.03711	0.8
135.04546	1.9
137.02443	3.9
139.03996	1.5
143.04993	1.5
144.05794	1.0
145.02980	1.2
145.06622	2.9
146.03737	4.8
147.04518	31.9
148.05309	6.2
149.06044	3.9
155.05000	2.8
156.05795	0.8
157.06590	0.6
158.03752	1.6
158.07382	0.8
159.04514	30.1
159.08090	0.9
160.05296	7.8
161.00694	0.6
161.02386	1.0
161.06076	9.9
162.06863	0.6
163.03928	0.9
163.07645	5.5
169.06641	1.4
171.04567	1.0
171.08099	1.6
172.05283	39.1
173.06061	90.1
174.03252	4.6
174.06688	7.0
175.00417	1.6
175.03996	7.2
175.07616	7.5
176.04768	22.3
177.05150	0.6
183.04514	3.7
183.08171	0.9
184.05270	0.7
184.08890	0.6
185.06075	6.4
185.09712	0.7
186.06847	14.0
187.04031	11.0
187.07634	49.4
188.04668	2.4
188.08353	7.3
189.05565	19.4
189.09193	16.8
190.06036	2.0
190.09573	1.2
190.63963	0.6
191.03496	2.4
192.04288	3.7
196.05331	3.1
197.06068	25.4
198.06821	12.3
199.03984	0.6
199.07605	5.2
199.11307	1.4
200.04738	5.7
200.08386	1.8
201.01933	7.7
201.05576	29.4
201.09195	81.5
202.06090	2.5
202.09575	5.6
203.07127	5.7
203.10831	1.3
204.04291	5.9
204.07896	32.7
205.08362	3.4
208.08867	0.7
209.09752	2.5
210.06882	0.6
211.07639	5.6
212.08366	4.8
213.05571	1.6
213.08939	0.6
214.06184	1.1
215.07112	36.9
215.10651	2.0
216.07884	33.8
217.05022	3.6
217.08371	2.9
217.12314	5.9
218.05756	2.2
218.12665	0.7
219.10262	1.8
225.09189	10.1
226.09819	2.3
227.10759	97.9
228.07948	0.6
228.08905	0.7
228.11057	7.2
229.08661	8.8
230.05864	0.6
230.09189	0.9
232.03812	1.2
232.07446	1.6
233.07954	0.6
241.08675	0.7
242.05702	0.7
243.10165	3.1
244.10809	0.9
245.00993	1.3
245.08275	3.5
245.11798	86.3
245.49004	0.7
246.12157	7.6
260.06879	5.7
271.09735	15.7
272.10028	1.3
273.99258	1.0
289.10785	100.0
290.11157	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1081
Annotation	2-(Acetyloxy)-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Peak:m/z	Relative Intensity
55.74271	0.9
58.87655	0.9
59.01374	0.9
69.73452	2.0
69.73871	3.8
71.01361	2.4
105.03465	1.4
109.02953	4.1
115.65922	0.9
117.03432	1.2
133.02867	1.2
134.04755	0.9
137.02406	3.3
141.06912	1.0
143.04993	2.4
145.02899	2.7
146.03679	1.5
147.04514	7.9
148.05254	1.8
148.38203	1.3
149.06114	1.1
155.05028	1.9
157.06436	1.0
158.03729	1.0
159.04517	9.6
159.08093	1.5
161.02472	5.4
163.62447	1.0
169.06569	2.3
171.04515	8.1
172.05293	38.7
173.02396	2.5
173.06042	10.5
174.03210	20.6
175.03993	6.5
182.03682	2.0
183.04539	5.2
183.08115	1.1
184.05302	2.3
185.02496	1.2
185.06070	9.7
186.06825	11.5
187.04057	9.3
187.07628	34.7
188.04704	3.8
188.07982	1.3
189.01923	33.0
189.05595	4.9
189.07161	1.0
190.02313	1.9
191.07092	2.9
192.04143	1.3
195.04590	1.4
196.05299	1.9
197.06053	2.3
198.03160	1.4
199.03989	40.0
199.07634	1.4
200.04768	71.4
201.05550	35.4
201.09137	10.7
202.06346	9.0
203.03500	2.8
203.07109	13.6
204.04260	32.4
204.21649	1.0
205.04910	4.6
210.03127	1.3
211.03960	6.0
211.07631	6.8
212.04689	1.9
213.05566	8.6
213.09155	2.5
214.06317	12.5
215.07114	84.7
216.07570	8.0
217.05116	1.1
217.08572	2.1
218.05766	3.8
219.06602	7.6
220.07298	3.0
224.04787	6.4
227.03493	17.5
227.07039	8.6
228.04269	85.6
228.07658	12.2
229.05040	25.4
229.08650	39.4
230.05737	6.6
230.09074	2.9
231.06532	1.8
232.03743	3.4
232.07280	1.3
233.08105	7.4
239.07132	16.5
239.12729	1.7
240.07478	1.7
241.05009	1.5
241.08708	1.6
242.05850	4.8
243.02962	1.7
245.11758	1.7
246.08801	1.3
257.08173	100.0
258.08676	9.8
259.09702	6.1
260.06879	2.7
271.02496	13.8
272.02841	1.1
289.10797	46.6
289.17776	1.5
290.11151	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	288.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57703	0.5
59.01377	1.0
59.11378	0.6
62.26290	0.5
69.29433	3.5
69.29834	1.0
70.12745	0.6
71.01378	3.7
74.64542	0.6
78.95907	26.0
79.95734	1.8
82.14581	0.5
85.02959	1.8
87.00883	1.6
87.96393	0.5
93.03448	1.5
93.59089	0.5
96.96011	100.0
96.96962	67.7
98.19818	1.2
99.00871	0.8
101.02452	0.6
112.98813	0.7
124.98797	1.4
127.03979	0.7
128.03551	1.6
130.42549	0.7
142.99857	16.8
173.00912	16.0
173.04529	2.0
191.05605	18.7
197.13867	0.6
233.10291	0.6
270.98553	2.0
289.09421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.108
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
50.50308	0.8
61.28195	1.0
65.89507	0.9
67.31409	0.8
69.76529	4.7
71.01367	1.4
73.74122	0.9
77.28528	0.8
84.13642	0.9
84.14208	0.7
86.54860	1.0
88.35008	0.9
89.34568	0.9
109.02935	1.7
117.03490	2.0
124.30231	0.8
133.02954	1.1
140.73035	0.9
141.06067	1.1
145.02942	3.5
146.03709	2.6
147.04532	2.1
158.03712	1.3
159.04503	10.2
159.08138	0.9
161.02477	4.5
169.06552	2.0
171.04489	6.8
172.05283	39.2
172.06775	1.9
173.02406	3.7
173.06006	10.0
174.03201	41.6
175.03699	4.3
175.07683	1.4
182.03693	2.2
183.04445	5.0
183.08104	1.4
184.05270	3.1
185.06049	14.0
185.09662	1.4
186.03252	1.1
186.06821	10.2
187.04027	9.0
187.07619	39.1
188.04796	5.8
188.08008	2.6
189.01912	15.6
189.05528	3.1
191.07083	3.5
196.05269	2.3
197.05943	2.6
198.06845	1.0
198.59546	1.0
199.03987	45.2
199.07631	1.7
200.04771	74.1
201.01964	2.7
201.05516	27.7
201.09222	10.2
202.06310	8.0
203.07118	61.2
204.04251	19.8
204.07408	3.0
205.04968	2.9
209.05939	1.2
210.03194	1.4
210.06850	1.7
211.03946	6.2
211.07617	4.9
212.04730	1.8
213.01811	1.0
213.05545	9.5
213.09222	2.2
214.06311	12.6
215.07098	89.8
216.07582	8.9
217.08577	1.6
218.05794	2.6
219.06593	3.9
220.07352	2.4
224.04771	6.7
225.05328	1.0
227.03499	19.5
227.07022	7.4
228.04253	93.6
228.07607	13.3
229.05020	26.7
229.08630	39.9
230.05731	8.0
230.09143	2.5
231.06535	3.6
232.03712	3.4
238.06314	1.2
239.07108	15.9
240.07628	1.9
241.08730	2.8
242.05794	3.3
245.00949	2.3
245.08089	2.6
246.08914	4.4
257.08173	100.0
258.08575	11.6
259.09744	5.7
260.06860	2.3
271.02634	1.3
281.90903	1.0
289.10782	30.6
289.17868	1.2
290.11069	2.5
302.87103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1602
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.48672	0.5
59.01361	2.2
59.29483	0.5
61.98813	0.7
70.58112	1.6
80.49934	0.6
81.03484	1.0
92.05055	1.0
92.94114	0.6
93.03454	1.5
97.98466	0.5
98.20618	0.7
99.92563	0.7
101.01191	0.5
104.81395	0.6
108.04535	3.4
109.02940	5.6
117.03445	0.6
121.02921	1.0
124.01616	0.5
129.97939	0.5
133.02875	0.7
133.05577	0.6
134.02472	35.5
135.03288	8.1
136.04036	34.1
137.02434	1.6
145.02936	1.0
148.04044	1.3
149.04810	1.2
173.02603	0.6
176.03535	3.9
177.04228	0.8
201.01915	0.6
245.00952	0.6
260.02499	0.8
260.16525	0.8
288.16034	100.0
289.16296	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	288.9872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.9
61.98829	6.8
65.79292	3.6
71.01381	10.4
71.53551	4.3
71.56194	3.8
72.99290	3.5
74.02448	4.9
74.45095	3.8
78.95901	21.5
79.09156	4.1
82.02995	6.6
83.02512	43.3
85.02949	12.8
86.02467	4.2
87.00869	14.6
89.02452	5.4
93.03450	4.8
96.96004	45.6
96.96934	26.0
97.02978	4.8
99.00877	8.3
101.02422	8.2
105.10235	4.1
109.02882	3.9
110.02472	9.5
112.04018	3.8
113.02445	7.7
115.00310	5.2
115.03966	8.0
119.00211	4.7
125.02545	5.8
125.03571	88.9
127.03957	9.4
128.03531	59.3
141.06688	4.4
142.08672	4.8
142.96626	55.3
142.99837	9.4
145.09851	8.4
157.95270	4.2
158.92592	4.3
160.97687	21.2
166.74332	3.7
167.04608	7.5
169.06174	31.0
170.04500	5.4
173.00899	4.5
174.99274	11.9
175.96350	6.6
184.97673	100.0
198.99239	5.2
200.05687	19.8
201.00615	5.9
202.98732	93.7
204.20563	3.6
208.64314	3.9
226.98723	4.3
244.99689	6.2
245.07686	7.8
289.05899	9.4
289.09375	5.0
289.13916	7.1
290.08875	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	287.0925
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
53.50219	0.9
59.01370	4.8
59.33595	0.9
62.96395	2.1
65.00337	8.7
68.99805	0.9
69.03429	1.7
69.74338	4.3
71.01351	1.0
78.95883	1.5
82.50150	0.8
85.02947	1.0
87.00842	2.4
93.03419	4.2
97.06596	1.9
109.02910	4.0
110.00064	1.1
111.00879	11.9
111.04455	1.6
113.06041	3.1
117.03465	7.3
119.04987	1.7
121.02882	1.7
123.04533	1.4
124.07678	2.3
132.51396	0.9
136.98796	5.1
139.00352	13.3
141.02399	0.8
141.03470	4.7
142.75378	0.9
143.04979	2.5
144.04518	2.2
145.02887	3.4
146.03728	2.2
147.04448	1.8
153.01935	1.0
155.05040	1.0
156.05795	1.6
158.03583	1.2
159.04485	6.2
160.05203	1.1
161.02354	3.2
161.05992	1.2
162.05511	1.3
164.98280	8.0
165.99002	3.3
166.99800	2.2
171.04425	2.8
171.08044	2.4
172.05304	14.2
173.02303	1.2
173.04436	3.0
173.05931	3.5
174.03209	1.9
174.06697	1.0
175.03880	1.6
177.09114	2.2
183.13777	1.0
184.05171	2.0
185.06058	21.8
186.06807	9.2
187.04034	6.6
187.07628	15.7
188.04639	2.8
188.08034	1.3
189.01891	3.2
189.05466	3.8
189.09111	3.7
193.98502	1.7
195.04434	1.7
196.05270	20.3
197.05887	2.1
197.09607	4.3
197.11423	0.9
198.06752	1.8
199.03987	6.2
199.05835	1.5
199.07613	21.0
200.04637	4.3
200.08478	14.7
200.58884	1.7
201.05476	2.3
201.09064	3.2
202.06242	1.7
203.06903	1.7
204.04182	2.5
204.07834	2.3
207.08067	1.9
209.06047	11.9
210.06763	5.3
212.04691	1.7
213.01910	1.0
213.05522	15.5
213.09039	6.0
214.02740	2.7
214.06348	26.3
214.09737	2.9
215.03436	5.3
215.06856	4.6
215.10672	13.1
223.05679	1.2
223.07646	14.8
224.08344	8.2
225.09180	42.6
226.09372	2.7
227.06982	2.7
227.12793	2.0
228.04070	1.2
228.07768	3.7
231.02814	1.2
232.03612	1.5
232.07343	2.2
241.01392	6.4
241.08667	6.7
243.02936	2.3
243.10187	100.0
244.10519	6.5
259.02557	4.7
259.09604	3.6
268.98215	1.4
269.00882	23.3
269.08081	4.1
269.12811	1.1
270.01163	1.9
287.01990	25.3
287.05460	4.9
287.09134	57.7
288.02325	2.5
288.09540	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2224
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.99928	0.3
59.01378	1.6
60.62654	0.3
64.48072	0.3
65.00305	0.9
70.96230	0.6
80.39097	0.3
91.67292	0.3
91.72182	0.3
99.08148	2.3
109.06585	0.6
111.00879	0.6
117.03429	0.8
124.01637	0.4
125.02421	0.9
129.09201	0.6
136.98787	0.6
139.00345	0.7
141.12790	1.4
143.04991	0.5
147.04465	0.4
155.14391	0.5
159.04497	0.6
161.02432	0.3
164.98315	0.3
171.04480	0.5
172.05269	0.9
173.02615	0.3
185.06075	0.4
187.03918	0.7
201.09193	1.2
202.06401	0.4
203.06746	0.3
215.03482	0.6
215.07071	0.4
216.04256	0.3
225.09218	0.3
227.16522	2.2
228.16727	0.3
229.08591	0.4
239.20204	0.4
241.21724	1.0
243.03014	0.4
243.10258	1.0
243.17520	0.7
247.90962	0.3
258.01163	0.3
259.02368	1.0
269.21164	3.0
272.03247	0.9
285.20840	1.5
287.02161	2.2
287.05453	0.8
287.09207	0.9
287.22232	100.0
288.02124	0.3
288.22577	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01101	0.6
59.01368	3.2
61.98834	1.3
68.15086	0.7
70.02956	0.6
71.53716	1.3
74.06098	1.5
110.00097	3.3
111.00355	1.0
117.03385	0.9
118.05069	1.8
121.02921	0.8
131.07124	1.2
165.99062	3.0
166.99414	2.6
171.04576	0.8
215.03442	1.3
240.23335	2.9
242.21138	1.8
243.02997	0.9
256.22559	0.7
264.29926	0.7
267.42770	0.7
268.23074	1.0
270.04068	1.1
271.05603	6.7
272.03268	0.9
286.04169	4.0
286.07727	9.0
286.23853	100.0
287.01865	4.0
287.05154	1.3
287.16525	1.2
287.24435	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	287.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	16.3
67.01894	1.5
68.99811	1.8
69.97296	3.1
70.12864	0.8
74.50928	0.9
76.08415	0.8
84.43362	0.8
88.29500	1.0
92.99822	1.9
93.03462	4.3
95.01385	1.6
96.99305	2.3
98.20538	1.6
106.30312	0.8
108.99342	1.3
109.02923	8.2
110.00102	1.0
111.00864	11.9
117.03457	46.8
119.05017	7.8
120.99231	1.0
121.02946	1.0
123.00841	1.8
123.04430	1.0
130.04222	3.1
131.05031	4.9
132.02132	1.2
133.02914	3.0
136.01654	1.6
136.98796	7.9
137.02451	1.4
139.00357	16.5
141.03429	1.3
143.05049	6.3
143.43593	0.8
145.02943	11.1
147.04512	3.3
151.03958	1.3
155.05022	4.6
157.02925	3.6
158.03705	2.0
159.04494	27.8
160.04715	1.0
161.02408	11.0
162.71039	0.8
164.98282	9.5
165.99045	3.4
166.99838	2.8
169.02837	1.6
171.04485	17.7
173.02383	2.3
175.03989	2.1
182.99289	0.8
185.02449	4.1
186.03180	2.5
187.03973	24.8
188.04399	1.1
189.01900	1.5
191.03410	2.1
193.98572	2.0
197.02307	1.6
198.03152	1.9
199.03929	4.4
213.01895	2.5
214.02498	1.1
215.03494	23.7
215.06757	0.9
216.04233	30.8
226.02678	3.1
227.03511	5.6
229.04518	1.0
231.02884	1.7
243.02950	100.0
244.03510	9.7
255.02930	9.4
257.08197	2.0
258.01584	2.5
259.02438	43.5
260.02820	2.1
271.02448	31.0
272.03229	90.7
273.03598	4.7
286.03342	1.3
287.01898	74.2
287.05377	24.2
287.09021	2.0
288.02295	5.2
288.05771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
53.90033	0.9
59.01357	4.3
67.01888	1.6
69.03451	10.0
71.01366	1.4
71.53738	1.1
73.78649	0.8
80.10924	1.0
85.02964	2.2
87.00874	2.5
93.03445	3.7
97.06565	3.0
99.00919	1.0
108.02099	0.9
109.02942	3.3
111.69881	0.9
113.02454	4.7
117.03437	1.5
121.02930	2.1
124.20136	1.0
125.02444	1.2
133.02951	1.9
135.04474	1.7
143.04991	3.5
143.08557	0.9
145.02921	5.3
146.03699	4.4
147.04477	2.1
152.06256	1.2
155.08611	2.2
156.05794	8.2
157.06529	2.9
158.03653	1.2
158.07288	1.5
159.04466	4.3
159.08093	2.6
167.05049	1.7
168.05757	1.3
169.06485	1.7
169.10175	2.7
170.03633	1.3
171.04515	4.7
171.08176	9.5
171.11777	1.1
172.05276	15.5
173.02376	4.8
173.04532	2.8
173.05994	7.7
173.09636	4.8
174.03146	3.7
174.06851	4.7
175.07552	1.0
179.08627	1.7
181.06532	2.0
181.10249	1.2
182.07306	1.9
183.04482	1.8
183.08179	2.0
184.05269	5.2
185.06058	33.9
186.06831	14.5
187.04074	5.7
187.07628	20.7
187.11252	2.5
189.05548	1.2
190.02629	2.2
195.04385	2.6
195.08165	1.0
196.05281	38.9
197.05870	4.4
197.09659	4.2
198.06822	1.8
199.03981	8.6
199.07625	33.7
199.11365	2.2
200.04706	2.9
200.08401	13.6
201.05502	3.5
201.09174	9.2
202.06343	11.8
203.07132	2.4
204.04198	4.2
204.07863	2.6
207.08080	2.8
209.06052	26.1
210.06784	7.3
211.03827	1.3
211.07396	1.1
212.04771	1.3
213.05553	15.9
213.09093	7.4
214.06337	42.2
214.09819	3.0
215.06868	3.3
215.10722	17.7
216.11221	1.8
223.05418	1.0
223.07635	41.6
224.08354	17.8
225.09178	56.0
226.09494	3.5
227.07076	3.0
228.07828	6.4
229.08463	1.3
232.07301	2.1
239.07019	1.6
241.08734	5.0
242.09312	1.0
243.10225	100.0
244.07669	2.0
244.10544	8.6
258.05240	1.2
259.09732	2.2
269.08096	2.1
287.01941	2.3
287.05597	2.9
287.09183	37.5
287.14624	2.4
287.18192	1.3
288.09583	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76868	0.4
59.01379	100.0
60.01715	1.2
69.51154	0.8
69.51563	1.6
71.01390	1.4
74.02466	0.4
77.60310	0.3
81.03467	0.8
83.05027	4.5
85.02962	0.6
87.00888	0.6
87.20267	0.4
89.02430	2.5
93.03477	0.5
96.84231	0.4
97.06631	0.5
101.02422	0.6
108.02201	0.5
109.03007	0.4
110.06104	1.0
113.02457	0.7
119.05039	0.6
120.99677	0.5
121.03061	0.4
121.06576	0.4
122.06162	0.8
123.04504	0.8
124.04057	1.1
137.02451	0.8
138.03223	0.5
139.04082	0.5
149.02493	0.5
153.01949	0.3
153.05539	0.6
156.01289	1.0
164.04790	0.4
165.05536	0.3
167.03479	0.5
214.35977	0.4
225.16081	13.5
226.16458	0.6
242.02260	0.4
246.71275	0.4
267.11517	0.4
285.03699	0.5
285.06238	2.5
285.09998	1.0
285.13400	1.5
285.16852	0.5
285.27121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.74424	0.5
59.01379	5.1
59.01635	1.1
61.98826	1.4
67.19970	0.6
69.39516	3.4
69.39919	1.5
77.79987	0.6
94.26513	0.6
95.01354	0.8
112.49931	0.6
133.02919	1.4
151.00446	0.7
219.93013	0.7
223.20645	58.8
224.20969	4.4
228.04015	0.7
229.04951	0.7
240.04256	0.7
241.04666	0.7
241.21750	1.4
243.16037	2.2
267.19638	31.6
268.19913	2.2
270.05258	0.9
285.03833	13.9
285.07178	1.6
285.20691	100.0
286.04172	2.2
286.21030	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79825	0.4
56.41490	0.4
58.97408	0.4
59.01357	1.6
64.66734	0.4
65.00319	0.5
70.82488	0.3
71.54462	0.4
76.62412	0.4
83.01362	0.4
87.87164	0.4
93.03439	0.5
95.01373	1.3
107.01376	0.9
108.02180	1.2
109.02940	2.5
113.81191	0.4
117.03464	1.0
119.01370	0.4
121.02927	1.1
123.00890	2.7
123.04455	0.5
124.01680	4.2
133.02936	5.3
135.00819	0.6
136.01637	2.6
137.02452	4.1
139.04022	0.4
143.05005	0.4
145.02917	1.6
146.03703	0.8
147.04544	0.9
148.01691	2.1
149.02438	0.7
151.00352	1.2
157.02980	0.5
161.02423	2.9
166.65921	0.4
169.02951	0.7
171.04518	0.9
172.05275	0.8
173.05966	0.7
174.03253	0.4
175.03958	0.9
183.04500	1.1
185.02327	0.4
185.06050	1.8
186.06877	0.8
187.03976	1.3
187.07523	0.5
196.05173	0.4
197.02274	0.4
197.06012	1.9
198.03253	0.5
199.03958	1.8
199.07458	0.6
200.04666	1.3
201.01970	0.5
201.05318	1.1
202.06288	0.9
209.06136	0.6
211.03963	2.3
211.13293	0.5
212.04417	1.1
213.01863	1.6
213.05556	3.0
213.09094	0.5
214.06358	2.0
215.03217	0.4
224.04729	1.6
225.05524	3.2
226.06386	2.2
227.03473	5.3
228.04175	0.5
229.05003	0.6
240.04105	1.8
241.05048	5.0
241.08792	0.9
242.02072	0.5
242.05815	4.7
243.06317	0.5
246.12599	0.4
251.03615	0.5
252.04132	1.8
253.05019	2.7
255.02975	8.8
256.03473	1.9
257.04672	2.2
257.08163	3.6
267.06668	1.1
268.03668	1.7
269.04471	3.2
270.05298	100.0
271.05618	6.5
284.26691	1.4
285.00711	1.2
285.03952	26.2
285.07651	54.9
285.14258	2.5
285.27142	0.7
286.01117	0.5
286.04248	1.8
286.07990	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
61.98796	0.6
78.95902	3.2
93.03481	0.6
108.02169	100.0
109.02975	23.9
110.03271	1.0
110.98526	1.6
121.02931	1.2
122.03729	1.1
123.04508	1.2
133.02924	0.9
135.00859	0.7
138.05627	0.8
142.99861	1.1
151.03992	1.7
152.01143	63.3
153.01935	39.7
154.02258	1.2
155.02951	0.5
163.03995	0.6
165.01933	1.1
181.05003	0.4
243.05045	0.5
285.06140	75.8
286.06454	4.5
286.09348	0.7
293.72958	0.5
295.91562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
71.29256	0.9
81.03484	0.8
108.02172	100.0
109.02994	15.3
121.02964	0.7
123.04531	0.6
133.02942	1.2
150.49146	0.5
151.03970	1.4
152.01151	70.6
153.01936	34.0
154.02249	1.0
163.03996	1.1
165.01959	1.0
285.06140	82.3
286.06488	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	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35042	0.3
54.59455	0.3
56.50131	0.3
59.01383	1.9
65.00329	4.4
65.29167	0.3
68.42914	0.3
68.99799	1.6
69.93735	1.4
72.99303	2.1
80.99812	0.4
82.00610	1.1
84.99338	0.4
95.01392	0.6
95.40795	0.3
95.93933	0.3
96.99318	1.1
98.20004	0.6
104.98298	0.3
107.01299	0.3
108.99312	0.8
109.02962	0.6
110.00094	69.3
111.00431	1.4
122.00073	0.8
123.00884	4.3
124.98786	1.2
125.99586	0.8
133.02942	0.9
136.98798	2.0
137.99590	21.5
138.99864	0.4
141.99077	4.3
145.56520	0.3
149.39096	0.3
151.00414	1.5
152.01082	0.5
152.98293	0.6
155.88454	0.3
158.09070	0.3
165.99068	68.3
166.99388	1.9
169.06593	1.2
178.99850	4.1
211.13373	0.4
213.05586	2.9
214.06339	1.4
228.04149	0.5
241.04930	0.7
241.08791	0.4
242.05821	3.9
243.06213	0.6
243.16028	0.8
246.05318	2.9
267.19659	0.3
269.04453	0.7
270.05310	78.7
271.05655	6.3
284.26950	1.8
284.29602	0.3
285.04050	5.9
285.07645	100.0
285.20706	1.1
285.26950	0.8
286.04703	0.4
286.07993	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15012	0.2
60.19480	0.2
63.02389	1.1
65.00316	2.8
69.16601	2.4
71.89491	0.2
75.07536	0.2
83.01384	1.6
105.03439	0.7
107.00716	0.4
107.01389	4.8
108.01660	0.2
121.02910	0.9
133.02948	25.1
134.03261	0.9
141.03435	0.4
143.04973	0.4
145.02919	0.5
147.00845	0.3
147.04552	0.4
149.02434	3.7
149.10452	0.3
151.00352	8.9
152.00644	0.4
157.02911	0.5
169.02927	0.7
170.40431	0.2
171.04482	0.6
174.03093	0.3
175.03984	4.5
185.02402	0.4
185.06110	0.4
189.05705	0.3
197.02457	0.4
197.06082	0.4
198.03218	1.2
199.03987	3.7
200.04227	0.2
201.01891	1.8
211.03972	0.3
213.02014	0.5
213.05585	0.9
214.02502	0.4
215.03474	0.6
217.05045	2.2
223.04041	0.6
229.05028	0.6
239.03389	0.4
241.01236	0.3
241.05048	1.3
243.02913	1.0
257.00797	0.4
257.04538	0.6
267.02908	0.4
270.01657	1.0
270.05469	0.4
285.04013	100.0
286.04361	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	284.0775
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
59.01376	1.5
61.98841	0.8
66.03484	44.0
67.03831	0.6
69.57492	1.5
69.91357	0.2
71.01398	0.8
72.99322	0.4
78.95905	0.4
81.03474	0.5
81.59428	0.3
83.05036	0.6
85.02957	0.5
87.00880	0.7
93.03465	2.8
93.22550	0.3
96.19324	0.2
96.35701	0.3
96.96014	0.6
96.96942	0.5
97.55766	0.3
99.04759	0.3
108.02174	25.9
109.02949	5.8
109.04066	0.3
110.02477	100.0
111.02829	2.3
111.04521	1.9
119.05050	0.4
120.05389	0.3
121.02944	0.4
123.04563	0.5
125.82093	0.3
129.01978	0.3
133.03014	0.5
135.04474	0.3
137.02473	1.0
151.03934	0.6
152.01147	17.3
153.01933	9.9
155.03500	1.7
163.04050	0.4
164.07123	0.3
173.03101	0.5
173.04555	5.6
191.05602	0.5
240.04253	0.4
242.10313	1.0
283.02399	0.5
283.26385	2.9
284.03180	2.8
284.07773	3.8
284.12341	0.5
284.26794	3.6
285.06171	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	285.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
59.05201	0.7
65.00309	5.5
69.91195	1.6
69.91595	0.8
85.71249	0.4
86.06364	0.4
91.01887	1.2
93.03441	0.5
98.20656	0.6
101.03951	1.5
105.65654	0.4
113.03965	3.4
117.03460	3.1
119.01379	19.2
119.04989	1.6
120.02201	1.0
121.02930	1.1
127.94841	0.5
129.03468	3.8
130.04221	2.1
133.02922	1.3
141.03458	31.9
142.04265	3.3
143.01363	0.9
145.02925	7.8
147.00864	12.0
147.04529	4.8
148.01273	0.9
149.02409	1.3
152.01132	0.8
154.04292	1.0
156.02203	0.7
157.02933	14.6
158.03734	6.6
160.01622	0.6
161.02481	1.3
169.02939	47.9
170.03612	5.3
172.01648	1.4
173.02417	4.2
174.03125	2.3
175.03979	1.6
184.01622	0.8
185.02420	26.7
186.03214	10.4
187.03920	1.5
189.01906	0.8
197.02425	13.0
198.03201	23.0
199.03670	1.3
200.01082	3.6
201.01924	1.5
203.03610	0.7
206.02315	0.6
213.01913	29.8
214.02675	12.2
215.03358	0.9
218.81805	0.5
225.01945	0.7
226.02585	3.1
229.01373	1.3
229.05066	0.6
241.01411	11.4
241.08560	1.4
242.02129	6.0
243.02492	0.8
245.00945	0.9
246.01720	0.6
253.01427	1.2
257.00888	29.3
257.08450	0.6
258.01169	1.6
269.00873	8.2
270.01663	91.3
271.01987	5.2
284.26685	1.0
285.00403	64.8
285.03998	100.0
286.00745	5.8
286.04327	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	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01336	0.3
63.02403	1.6
65.00327	1.1
69.20074	0.8
69.20490	1.8
71.89551	0.2
79.31355	0.2
83.01381	0.5
91.01871	1.4
93.03461	0.3
107.01393	1.8
109.02927	0.6
120.82844	0.2
121.02991	0.5
123.04510	0.6
132.02185	0.4
133.02957	1.8
135.00836	0.9
135.04489	0.4
137.02449	0.3
139.04059	0.4
141.07167	0.3
143.05058	0.5
145.02905	0.3
147.00862	0.3
147.04509	1.1
148.01689	1.0
149.02441	3.9
151.00375	0.9
151.03979	0.4
157.06525	0.3
159.04402	0.3
161.06064	0.3
167.05026	0.7
169.06578	0.6
169.58521	0.3
171.04480	0.9
173.02415	0.7
174.03159	0.3
175.03995	1.1
176.01137	1.1
177.01881	1.4
185.06100	1.8
187.03987	0.7
188.04788	0.3
189.05524	0.6
195.04329	0.5
196.05283	0.5
197.06017	0.6
198.03145	0.7
199.03975	1.2
200.04790	0.4
201.01938	0.4
211.03998	1.0
212.04741	0.6
213.05519	1.2
215.03528	0.7
217.05035	1.1
219.69821	0.2
224.04700	0.3
227.03511	1.4
228.04005	0.4
229.05023	4.9
229.08669	0.3
230.05339	0.3
239.03464	0.7
240.04225	0.6
241.05011	0.8
242.02193	1.6
243.02939	0.7
251.72472	0.3
255.03020	0.4
256.03720	0.8
257.04572	7.0
258.04892	0.5
267.02844	0.4
268.03680	0.3
270.05356	0.9
283.02582	0.7
284.03107	0.5
285.04031	100.0
286.04385	7.9
286.07132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47190	0.1
59.01375	0.3
63.26913	0.1
65.00315	1.7
66.00652	0.4
66.01072	0.1
67.01897	0.2
68.99821	0.2
70.45898	0.4
80.96487	0.1
85.02985	0.1
91.01910	0.2
93.03459	0.3
94.92995	0.1
95.01357	0.2
99.77197	0.1
107.01383	0.3
108.02162	0.3
110.00120	0.8
117.03484	0.2
119.01368	0.3
121.02930	0.2
123.00897	0.2
130.04247	0.4
131.05016	0.4
132.02170	1.6
133.02956	3.4
135.00877	0.4
136.98787	1.2
137.02452	0.7
137.99162	0.6
139.03992	0.3
141.03471	0.5
143.05048	0.6
145.02946	0.2
146.03679	0.1
147.00867	0.2
147.04535	1.2
148.05241	0.4
149.06108	1.3
149.99632	0.2
151.00380	0.2
154.04253	0.2
155.05029	1.8
156.05698	0.4
159.04509	0.8
161.02470	0.2
161.06154	0.1
163.00383	2.3
164.01158	0.2
165.99162	0.1
167.05045	0.3
171.04500	0.7
172.05249	0.4
173.04527	0.5
173.05948	0.2
174.03201	0.3
175.03946	0.1
182.03728	0.3
183.04498	2.8
184.05269	1.0
185.02412	0.2
185.05957	0.5
187.03987	0.8
189.05478	0.1
190.99852	4.7
192.00246	0.1
192.04236	0.3
193.05061	0.9
195.04456	0.2
197.06070	0.3
197.37802	0.1
199.04001	3.7
199.07652	0.2
200.04779	4.4
201.05270	0.4
201.09190	0.3
202.02739	0.2
203.03476	0.2
206.02249	0.2
210.03139	0.7
211.03995	4.4
212.04755	0.9
213.09265	0.2
214.06303	0.3
215.03410	0.4
215.06883	0.2
223.07614	0.2
225.09161	0.2
227.03493	7.8
228.04234	4.4
229.08662	0.2
232.03734	0.6
237.04227	0.2
238.02718	0.4
239.03462	4.1
239.07124	0.2
240.04271	12.5
241.04744	0.6
241.08711	0.5
243.10294	0.5
255.02982	9.6
256.03461	4.3
257.03708	0.2
257.08182	0.2
266.02249	0.2
267.02881	0.4
283.02469	7.3
283.26443	3.3
284.03235	100.0
284.26752	1.0
285.03644	8.2
285.07425	0.5
285.12717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28697	0.1
65.00308	1.4
68.99808	0.2
69.31563	0.9
89.03970	0.1
91.01873	0.3
92.99020	0.1
93.03423	0.1
95.01376	0.3
109.02955	0.4
110.00098	0.9
117.03458	0.4
119.01376	0.4
123.00887	0.2
130.04224	0.5
131.05002	0.5
132.02167	2.0
133.02942	3.8
134.00166	0.1
135.00882	0.7
136.98792	0.5
141.03419	0.4
143.05005	0.5
147.00887	0.3
149.99600	0.2
151.00378	0.2
152.38254	0.1
154.04283	0.1
155.05005	1.8
156.05765	0.5
159.04510	0.6
160.98775	0.1
163.00357	2.8
164.01050	0.2
165.99002	0.2
167.04988	0.2
171.04494	0.5
172.05243	0.3
173.49988	0.1
174.03258	0.2
177.54694	0.1
181.02925	0.1
182.03745	0.3
183.04483	2.7
184.05299	0.9
187.03960	0.6
190.99844	5.8
192.00214	0.3
195.04451	0.3
199.03975	3.3
200.04752	4.4
201.05241	0.2
203.03479	0.2
206.02168	0.1
210.03183	0.7
211.03973	4.4
212.04689	0.9
215.03496	0.2
227.03470	8.1
228.04219	4.5
229.04576	0.2
232.03732	0.4
238.02687	0.5
239.03458	4.0
240.04247	12.5
241.04630	0.5
255.02946	9.8
256.03589	2.5
266.02145	0.3
267.02945	0.8
283.02466	8.3
284.03220	100.0
285.03577	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	284.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82372	0.1
55.91121	0.1
59.01368	0.2
65.00323	1.2
68.99805	0.2
77.01356	0.1
80.56979	0.1
87.00871	0.3
89.03969	0.1
89.83488	0.1
91.01894	0.3
96.99306	0.2
107.01392	0.3
110.00082	0.8
117.03457	0.3
119.01379	0.3
123.00845	0.2
130.04239	0.4
130.99907	0.2
131.05017	0.5
132.02165	1.6
133.02945	3.1
135.00856	0.5
136.98779	0.3
137.02342	0.1
141.03468	0.4
143.05016	0.4
147.00856	0.2
147.04501	0.4
149.06068	0.3
149.99602	0.2
151.00311	0.2
155.05019	1.8
156.05750	0.4
159.04483	0.6
163.00369	2.1
164.01077	0.4
166.36877	0.1
167.05023	0.3
171.04498	0.4
172.05273	0.4
174.03188	0.3
182.03687	0.3
183.04459	2.6
184.05338	0.7
187.04005	0.6
190.99835	4.3
192.00124	0.2
195.04466	0.2
198.07130	0.2
199.03986	3.4
200.04771	4.5
201.05121	0.2
203.03456	0.3
206.02129	0.2
210.03241	0.6
211.03990	4.4
212.04720	1.1
215.03471	0.3
227.03481	8.1
228.04227	4.5
229.04561	0.3
232.03752	0.5
238.02657	0.5
239.03497	3.6
240.04256	12.7
241.04573	0.8
255.02965	8.8
256.03650	2.4
257.04047	0.2
266.02182	0.4
267.02908	0.4
283.02460	6.9
283.26392	1.2
284.03232	100.0
284.26602	0.4
285.03580	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	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.2
62.04500	1.2
65.03958	1.7
70.90400	3.0
73.02927	1.4
79.36199	1.2
87.00875	11.1
91.05530	37.3
91.06059	2.5
92.05894	1.8
93.03471	6.4
95.05042	1.3
105.03431	1.6
107.05029	2.7
117.03444	4.1
119.05022	100.0
120.05363	4.4
120.93068	1.3
121.02951	4.8
121.06596	2.1
123.04525	4.6
133.02946	1.9
134.03700	1.3
135.04514	11.4
137.02420	6.3
145.02950	6.6
148.01682	2.3
149.02422	3.0
149.06049	6.9
150.03189	1.1
151.03998	7.1
151.07637	33.8
152.08020	1.6
156.17107	1.2
159.04506	5.1
161.02397	2.4
162.03210	23.6
163.04004	52.3
165.05569	1.8
175.03979	4.9
177.05551	18.1
179.03531	1.8
193.05183	2.6
194.64781	1.4
195.06613	13.2
196.06897	1.3
207.02968	2.8
219.02986	2.3
221.04582	11.9
237.04036	4.4
239.05537	7.8
241.14391	1.3
265.03534	5.6
268.03705	1.6
283.04477	10.3
283.12000	1.2
283.26389	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98833	1.0
67.99870	0.7
69.75181	3.6
71.01382	0.9
72.99287	0.9
73.02948	1.3
85.02908	0.8
87.00874	9.1
91.05529	32.5
92.05822	0.8
93.03432	3.2
96.95987	0.8
102.98642	0.9
104.02692	0.9
107.05043	1.3
117.03495	2.0
119.05025	100.0
120.05349	2.0
121.02962	1.6
121.06554	1.1
123.04479	0.8
135.04503	3.5
137.02432	6.2
137.81497	0.7
145.02968	1.5
148.01666	1.3
149.06050	1.1
150.03238	4.4
151.03986	0.9
151.07645	2.7
161.02423	0.9
162.03238	3.1
163.03999	31.3
164.04352	1.7
165.05580	4.3
177.05560	3.0
180.04337	1.7
193.05081	0.9
195.06619	19.7
196.06998	0.9
200.18953	0.7
221.04553	1.6
268.03882	1.0
283.04532	11.6
283.26398	28.0
283.29520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.061
Annotation	Macrosporin
Peak:m/z	Relative Intensity
54.06545	0.7
57.03431	0.8
59.01371	9.1
61.98836	0.9
65.00317	2.1
65.96413	0.7
68.99817	0.7
71.54314	1.0
74.15984	0.6
80.08794	0.6
83.48295	0.7
84.40562	0.7
93.03467	1.5
117.03464	0.7
121.44978	0.7
125.54820	0.8
128.40718	0.7
128.79124	0.7
131.04997	1.1
132.02138	1.6
133.02939	2.9
136.98859	0.8
137.74736	0.7
143.04997	2.8
147.04559	0.9
155.05005	3.2
161.99524	1.0
163.00392	1.3
167.05029	1.3
171.04453	2.1
172.05270	2.6
183.04474	3.2
184.05118	0.8
187.04005	0.8
190.99866	2.4
195.04498	3.9
196.05296	8.4
198.03230	0.8
199.03951	3.2
200.04779	1.5
211.03986	7.8
212.04698	3.1
227.03491	7.7
228.04240	1.4
239.03464	4.9
240.04259	83.9
241.04643	5.2
241.14424	2.0
253.05161	0.9
255.02968	13.7
255.06583	20.8
256.06989	0.8
267.03021	0.8
268.03745	23.0
268.06802	0.9
269.04117	1.6
283.02451	34.8
283.06076	49.9
283.26392	100.0
284.03256	39.2
284.06384	4.2
284.26718	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	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27845	0.3
55.07667	0.3
66.46255	0.3
69.67997	1.9
86.81285	0.3
88.47471	0.3
91.01875	1.7
94.49838	0.3
97.06564	0.5
108.02161	1.0
110.98318	0.4
132.02151	0.9
135.00877	5.3
143.05028	0.5
148.01674	4.8
153.01961	0.5
156.05832	0.5
160.01616	0.9
171.04384	0.3
183.04514	2.0
184.05290	5.9
195.04539	3.0
196.05255	1.6
211.03992	18.1
212.04715	3.1
223.04015	2.1
224.04720	3.1
225.05154	0.4
227.03442	0.4
231.99782	0.3
239.03490	10.6
240.04230	7.2
241.04648	0.5
251.03488	0.6
252.04173	0.3
252.81418	0.3
255.02931	1.2
267.02963	6.0
268.03741	100.0
269.04108	7.5
283.06100	66.6
283.26392	1.9
284.03189	0.8
284.06378	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	283.061
Annotation	Biochanin A
Peak:m/z	Relative Intensity
59.01369	1.3
59.50288	0.2
63.02420	0.2
65.00317	1.9
67.14252	0.2
68.99806	0.3
70.91532	0.5
70.99701	0.2
76.62763	0.2
76.67300	0.2
79.35675	0.3
91.01886	2.2
92.99795	0.3
93.03455	0.5
107.01357	0.6
108.02222	0.3
117.03465	0.6
119.01357	0.8
121.02943	0.6
123.00901	0.3
127.00363	0.3
132.02164	7.9
133.02983	1.6
135.00873	5.0
136.98831	1.7
141.03415	0.4
143.05005	0.5
145.02930	0.9
147.00844	0.9
148.01648	1.0
151.00356	0.8
153.01913	0.8
155.05045	1.2
163.00349	1.0
164.83649	0.2
167.05061	0.5
169.02914	0.2
171.04500	0.8
176.01189	0.3
182.03691	1.7
183.04521	4.0
183.08104	0.4
184.05217	0.8
185.02406	0.4
187.03979	0.6
190.99841	2.6
195.04480	2.3
196.05243	1.4
198.03227	1.7
199.03992	2.4
200.04764	2.2
209.11722	0.3
210.03214	1.0
211.03984	7.1
211.07584	1.1
212.04761	1.5
223.04001	4.8
224.04768	14.3
225.05075	1.0
226.02740	0.6
227.03474	3.6
228.04225	1.4
239.03490	9.2
239.07039	1.9
240.04251	10.3
241.04738	0.5
241.14456	0.4
244.92726	0.3
251.03468	2.1
255.02968	16.4
256.03546	1.7
266.02194	0.3
267.02957	25.4
268.03729	67.5
268.99597	0.3
269.04126	5.4
283.02542	13.5
283.06052	100.0
283.26395	13.7
284.03305	40.5
284.06418	7.9
284.26566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0609
Annotation	Biochanin A
Peak:m/z	Relative Intensity
59.01365	0.4
68.85098	0.4
69.19939	0.4
71.30365	0.4
71.30698	0.4
91.01904	0.7
132.02180	5.4
135.00853	1.7
171.04575	0.5
176.76103	0.4
180.05782	0.6
184.05244	0.6
195.04501	1.5
196.05194	1.4
211.03992	5.4
212.04686	1.6
223.03993	2.8
224.04735	3.4
226.02655	1.8
239.03461	13.2
240.04187	5.0
241.04724	0.4
258.76382	0.4
267.02942	15.3
268.03720	88.2
269.04047	5.7
283.06073	100.0
283.26303	2.1
284.03201	1.1
284.06332	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	282.0844
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.73099	0.3
59.01374	3.9
60.01720	0.4
60.23155	0.2
61.98820	0.7
66.00954	0.5
71.01382	1.7
71.51857	0.3
72.01710	0.5
72.99323	0.4
73.02950	0.5
78.95900	0.3
82.04102	1.0
85.02945	0.7
87.00890	0.5
88.04039	0.3
89.02446	1.4
90.02795	0.3
91.96715	0.2
99.00821	0.2
101.02437	1.5
102.02753	0.5
107.03633	4.3
108.02036	9.1
113.02438	0.6
119.05057	0.3
120.03895	0.2
121.05096	0.3
126.03088	3.5
133.01555	30.3
134.01926	0.5
137.02492	0.3
144.06654	0.5
149.28363	0.2
150.04204	100.0
151.04660	2.1
161.04559	0.5
193.03529	0.6
203.43092	0.2
223.08220	0.4
253.77391	0.3
264.24200	0.3
268.03674	0.3
281.92856	0.5
282.08423	33.3
283.05933	0.4
283.08557	1.5
283.26370	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	279.1964
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01363	6.4
59.15878	1.1
67.91888	1.0
71.53607	1.5
74.42162	1.0
79.01296	1.1
88.09011	1.0
91.01877	0.9
96.58354	1.1
96.96002	1.6
107.08659	32.8
110.98633	1.1
115.92029	1.0
125.09683	2.0
139.07600	3.7
163.00412	1.4
171.10252	77.8
172.10596	3.2
185.11765	3.1
205.12285	1.6
217.19635	7.3
235.02194	1.0
235.17062	1.8
261.18567	100.0
262.18939	8.2
279.12814	2.3
279.19586	53.2
279.23151	10.6
280.19894	4.9
280.23029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2325
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
65.48517	0.6
69.51561	2.7
70.46297	0.5
79.55042	0.6
88.23385	0.5
90.43748	0.5
204.15263	0.5
279.23260	100.0
280.23605	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	281.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.4
59.84389	0.4
61.91130	0.3
71.01378	0.8
73.02942	0.4
79.60469	0.3
80.96529	0.5
80.99670	0.4
85.02976	0.7
87.00896	0.5
87.35874	0.4
93.03468	2.5
96.96042	0.6
101.02445	0.6
105.07169	0.4
106.04226	0.9
107.05000	0.4
108.02171	1.5
109.02947	2.6
119.05023	1.5
121.02940	0.7
121.06596	2.6
122.03776	1.0
123.04535	1.8
130.04262	1.0
131.05016	2.5
133.02950	0.7
134.03766	1.2
147.04512	4.7
148.05309	8.5
149.06073	100.0
150.06404	3.8
153.01872	1.1
160.01590	1.2
161.02452	1.8
165.05586	1.2
174.03206	0.6
175.04001	3.9
177.01898	0.8
193.05043	54.9
194.05374	2.0
205.01427	0.6
209.04567	1.6
219.02963	1.3
221.01003	0.5
237.04021	10.0
238.04533	0.4
239.12749	0.9
252.70351	0.4
269.04349	0.4
280.99988	0.9
281.03021	13.2
281.24881	1.2
282.03268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08001	0.5
50.97199	0.4
52.56702	0.5
57.03441	1.3
59.01376	100.0
59.86760	0.5
60.01726	1.4
61.98837	0.8
71.01383	7.5
71.07319	1.0
73.02940	1.9
75.00834	0.5
80.96539	0.8
82.03012	0.6
83.01402	0.9
85.02947	2.9
87.00882	2.0
88.04047	2.0
89.02446	2.2
93.03441	1.1
95.01386	0.7
99.00883	1.2
101.02440	5.2
109.02982	1.3
113.02438	3.3
115.00355	0.7
119.03522	1.1
121.02980	0.8
121.06667	0.5
122.03903	0.4
123.04533	1.0
131.03531	0.5
132.03036	2.8
133.05093	1.9
137.02429	0.7
147.04529	0.5
148.05328	0.8
149.02541	1.0
149.06059	9.4
150.04295	0.8
152.01170	0.5
153.01926	0.8
159.03009	1.5
160.62306	0.5
161.02483	0.7
161.04564	3.2
163.08653	0.5
175.04002	0.9
193.05057	5.1
193.06966	0.9
221.06805	0.6
221.10278	2.4
235.36729	0.5
237.04039	1.4
239.12889	1.0
281.03290	2.1
281.06757	0.9
281.12042	0.6
281.24945	1.3
282.06305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03447	0.8
59.01376	19.0
69.76853	0.6
71.01367	1.6
71.24879	0.8
71.25208	0.7
71.52001	0.5
71.72124	0.6
73.02948	0.8
83.05019	2.6
85.02946	0.8
85.32365	0.6
87.04501	1.4
89.02396	0.5
95.92265	0.5
96.96010	0.9
96.98799	0.6
97.02926	0.8
97.06561	0.7
101.02428	0.7
105.07092	2.0
111.08143	0.9
120.05782	0.8
121.10236	0.9
139.11247	0.6
145.02925	1.1
148.68025	0.5
149.06027	1.1
149.61090	0.6
154.25816	0.5
165.12828	1.3
177.12834	6.1
193.05119	0.7
195.13884	100.0
196.14240	5.5
215.65810	0.6
218.14467	0.6
219.13921	2.7
237.14992	4.1
239.12851	3.4
281.00916	0.7
281.04395	1.7
281.13950	3.5
281.24838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03449	12.4
57.57432	0.4
59.01363	1.7
61.79196	0.4
69.03472	1.3
70.02174	0.9
70.02563	0.8
71.01376	2.6
71.05040	0.6
72.99290	0.5
73.02969	0.7
79.05544	0.8
80.96517	0.8
81.03479	1.0
83.01424	0.4
83.05027	2.7
85.02950	0.9
85.06593	0.7
86.02808	0.3
88.04052	3.3
88.29791	0.3
93.03484	1.4
93.07121	0.6
94.04255	1.1
95.05025	3.0
96.02219	0.3
96.96021	0.6
97.02950	7.9
97.06586	2.6
99.04534	1.0
105.07082	0.3
107.05040	1.9
108.02171	0.7
109.02943	6.3
109.06590	6.5
109.07271	0.5
111.04522	4.7
111.08154	0.5
113.02419	0.4
114.30173	0.3
115.00372	2.0
119.05028	5.6
119.08662	3.1
121.06588	5.3
122.03740	16.4
123.04574	3.4
123.08155	1.1
124.05296	19.7
125.02455	0.8
125.06116	5.3
132.03036	3.7
133.01454	3.8
133.06572	0.5
135.04506	1.9
135.08173	1.0
136.05299	1.2
137.06081	12.5
137.09732	1.0
138.06476	0.6
139.07648	100.0
140.08000	3.4
142.02718	0.4
145.10240	1.4
146.03770	0.3
147.04483	0.7
147.08159	4.6
148.05281	1.2
149.02510	0.5
149.06046	0.7
149.09726	0.6
153.05603	0.8
159.08153	0.4
161.06039	0.8
161.09691	1.0
162.06854	0.9
163.04012	7.4
163.07628	2.4
163.11287	1.7
165.05545	0.8
165.09181	0.6
168.07916	26.2
169.08716	3.3
171.08157	3.1
172.08897	0.8
173.04506	0.7
175.03955	1.0
175.07625	1.1
175.11253	1.9
177.09268	0.5
177.12866	2.1
180.07944	0.8
185.09743	1.2
187.11281	19.8
188.04735	0.7
188.11621	1.3
189.05563	0.5
189.09172	1.5
189.12802	0.5
190.09978	5.2
191.10399	0.4
203.03485	0.8
203.49652	0.4
205.12331	37.0
206.12650	2.1
217.08681	0.9
217.12283	2.1
219.02887	0.8
231.10159	1.2
235.13362	4.8
243.10188	0.7
249.11270	2.7
258.91187	0.4
261.11243	1.8
279.05331	0.6
279.12265	12.8
279.23151	1.4
280.08304	0.7
280.12479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01877	1.1
57.03447	1.2
58.00590	2.7
59.01380	100.0
60.01712	1.1
71.01383	51.9
71.05023	6.3
71.23273	2.1
72.99310	4.0
73.02937	2.5
75.00877	1.4
80.96500	1.2
83.01374	3.0
85.02949	11.4
87.00878	2.6
89.02444	64.3
95.01378	2.9
96.95956	1.2
99.04520	4.4
101.02441	32.4
101.06081	1.2
113.02450	18.8
115.00350	1.0
115.04022	1.2
117.05578	36.9
119.03497	28.1
119.04929	1.3
131.03531	1.8
132.03006	3.2
133.03349	1.2
143.03490	2.9
147.04492	1.2
149.04523	1.4
160.02654	1.3
161.04538	2.6
163.04047	1.9
176.04663	1.7
179.05666	2.3
279.05182	2.9
279.10846	92.9
279.23257	2.4
280.11337	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	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
53.97292	0.5
57.03446	11.2
59.01373	0.9
59.67743	0.6
69.03456	1.6
69.31370	1.2
69.31774	4.0
71.77878	0.5
79.05545	0.6
81.03486	1.0
81.78688	0.5
82.34786	0.6
83.05014	3.3
85.06603	0.5
93.03454	1.1
94.04237	1.3
95.04999	2.8
97.02941	7.1
97.06581	3.0
99.04522	0.9
104.80502	0.5
107.05048	1.5
109.02946	6.5
109.06591	6.4
111.04526	3.8
119.08660	3.1
121.06589	5.3
122.03734	15.9
123.04554	2.8
123.08211	1.1
124.05296	16.6
125.02401	0.8
125.06102	4.6
135.04517	1.5
135.08170	0.9
136.05249	0.8
137.06070	10.4
137.09709	1.3
139.07642	100.0
140.08005	3.3
142.02730	0.6
145.10213	0.9
147.08118	4.2
148.05246	1.4
149.06049	0.8
149.09761	0.9
151.07631	0.6
162.06868	1.2
163.07632	2.5
163.11298	1.8
168.07901	23.3
169.08652	2.8
171.08136	3.1
172.08910	0.9
173.09732	0.7
175.07527	0.8
175.11258	1.9
177.12883	2.5
185.09752	0.9
187.11259	19.4
188.11656	0.9
189.05592	1.3
189.09196	1.3
190.10043	4.1
202.10216	0.8
205.12312	38.9
206.12694	2.5
217.12341	2.2
231.10301	1.5
235.13391	5.7
236.13667	0.6
249.11247	3.0
279.09229	0.5
279.12323	12.2
279.23367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0194
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
51.28147	0.4
56.23535	0.4
65.00320	20.0
68.99802	1.0
69.97594	1.8
76.01353	0.5
83.01408	0.5
87.78880	0.4
93.03450	8.1
108.99303	1.9
109.02937	0.6
111.00876	22.6
112.01194	0.7
117.03458	87.4
118.03791	2.5
118.78873	0.4
119.05051	0.5
121.03002	0.6
130.04231	1.2
131.05042	3.1
133.02946	2.5
135.04526	2.0
136.98830	0.9
137.02441	0.6
141.03473	0.9
143.04991	0.9
145.02956	1.6
152.98286	0.6
153.94075	0.4
158.03729	2.6
159.04503	62.9
160.04849	2.2
161.02420	9.7
163.03987	1.6
169.02934	0.5
175.03986	1.0
187.03990	20.3
188.04358	0.7
189.01898	8.2
203.03526	4.2
213.01776	0.4
231.02954	14.1
232.03328	0.7
275.01947	100.0
276.02237	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	276.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96830	0.3
69.21664	2.2
69.22071	0.9
70.95264	0.3
75.81294	0.3
78.95897	3.8
79.95758	0.6
80.12675	0.3
80.59169	0.3
96.96006	16.1
96.96980	0.6
134.96111	0.7
134.97093	0.7
136.94002	99.0
137.94051	5.8
178.94989	2.4
207.40134	0.4
216.89641	100.0
217.89691	5.8
234.90712	18.9
235.90764	1.4
258.87396	0.5
276.88361	1.8
276.91748	2.4
276.98785	2.4
277.21512	0.5
294.84891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.90574	0.4
59.01352	0.4
68.93233	0.4
70.00356	1.9
90.10815	0.4
92.23872	0.4
98.19968	0.5
105.28181	0.4
259.20453	0.7
267.96686	0.4
277.21701	100.0
278.22049	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	278.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18970	0.3
70.80987	0.3
70.81304	0.5
71.01383	3.6
71.24546	0.3
72.00897	0.7
88.04040	26.0
93.03455	0.5
96.43971	0.3
104.94849	0.3
110.82523	0.3
112.26626	0.3
114.01963	3.4
114.99564	0.6
115.00372	10.2
117.03454	0.7
119.05026	11.1
120.05345	0.4
132.03023	100.0
133.03392	2.0
145.02922	2.2
145.85356	0.3
146.08226	0.4
162.05634	0.6
163.04030	3.1
204.23599	0.3
216.06660	0.4
234.07713	1.3
276.43130	0.3
278.06696	7.8
278.13083	0.3
279.07047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01113	0.3
59.01381	4.3
61.98812	0.2
66.23746	0.2
71.01368	0.6
71.11351	0.2
79.42075	0.2
93.03460	0.6
99.00867	0.2
104.46600	0.2
117.03452	0.3
118.96693	0.2
121.02935	0.8
133.02917	0.3
137.02422	0.7
161.02405	1.3
185.65417	0.2
205.01450	0.5
205.15919	0.7
233.00981	0.2
233.15733	0.2
233.19014	0.4
233.22713	0.4
259.20575	0.6
275.20074	0.5
277.18283	7.2
277.21680	100.0
278.18753	0.4
278.22006	7.4
283.73560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.34451	0.2
59.01375	0.5
61.98834	0.3
68.03636	0.2
69.39613	0.9
69.40038	0.8
71.39234	0.2
90.56006	0.2
108.02137	0.7
109.02956	0.2
116.92777	0.2
134.89453	0.4
225.22223	3.9
253.21642	1.5
269.21146	0.7
271.22754	100.0
272.23087	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0768
Annotation	beta-Pyrufuran
Peak:m/z	Relative Intensity
53.61218	0.4
55.75897	0.4
59.01379	0.6
67.11554	0.5
68.80942	0.5
68.99812	1.0
71.01380	14.9
72.99299	0.4
82.52258	0.5
90.87723	0.5
99.00878	27.6
104.71816	0.4
109.02948	1.7
117.03484	0.4
121.02999	0.4
123.00880	1.0
123.04546	0.8
132.13458	0.5
137.02443	2.1
145.06592	1.2
146.03726	0.6
147.04477	0.6
148.01685	0.5
155.04958	0.9
158.03731	1.0
159.04514	11.8
160.05208	1.7
167.03496	4.8
169.06561	0.5
171.04529	0.8
171.08142	1.3
172.05290	7.4
173.02492	0.7
173.06049	11.6
173.45917	0.4
174.03137	0.9
174.06821	3.0
175.03992	0.5
175.07608	1.6
177.05473	0.7
181.06625	0.5
183.04532	0.9
184.05309	0.9
185.06044	2.1
186.06857	1.0
187.04002	14.1
187.07610	6.8
188.04819	3.4
188.08241	0.5
189.05510	3.1
189.09222	0.6
191.07130	20.4
192.07402	0.7
195.04700	0.5
196.05315	1.4
197.06029	1.4
198.03177	2.6
199.03981	1.1
199.07616	6.4
200.04800	5.5
201.05557	64.1
201.09094	3.3
202.06264	9.9
203.06934	1.8
205.05118	0.5
211.03961	1.8
211.07555	2.4
212.04762	3.2
213.05522	0.5
214.02713	1.3
214.06363	1.2
215.03497	6.0
215.07085	9.5
216.04292	5.1
216.07800	5.3
217.05026	1.8
217.08672	3.1
226.02681	1.9
226.06335	1.3
227.03455	1.6
227.07118	10.9
228.07559	0.7
229.05089	4.0
229.08575	4.5
230.05817	100.0
231.06136	4.8
240.04292	1.9
243.06558	4.5
244.03737	6.1
244.07330	2.0
245.08147	19.6
245.10692	1.0
246.08591	1.1
255.06625	7.3
258.01648	0.5
273.07663	56.5
274.08072	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	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13277	0.1
62.96388	1.0
69.70102	0.1
71.13998	0.3
80.02690	0.2
93.03448	0.2
95.01394	0.2
96.74764	0.1
96.93077	0.2
108.02178	1.7
109.02990	0.4
117.03474	0.6
121.02949	1.3
123.04543	0.5
128.45192	0.2
132.02177	1.3
133.02963	1.1
145.02943	1.6
161.02469	0.3
167.04982	0.2
171.04579	0.2
181.06619	0.5
182.07249	0.2
183.04500	0.8
184.05186	0.8
185.06075	1.8
186.06845	1.7
195.04536	0.9
197.06148	0.5
198.03375	0.2
198.06905	0.7
199.04091	0.2
208.05270	0.2
209.06061	4.9
210.06847	4.7
211.03984	3.3
211.07124	0.3
212.04755	1.0
224.04811	0.3
225.05557	5.7
226.06299	2.8
235.03923	0.3
236.04807	0.4
237.05583	0.4
239.03499	2.2
245.31960	0.2
253.05046	6.7
254.05821	100.0
255.06154	6.4
255.08875	0.2
269.08167	56.1
269.21143	0.7
270.08514	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	269.0817
Annotation	6,7-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01369	0.9
65.00327	5.1
68.99834	3.3
71.54245	0.7
71.54646	0.7
83.01398	0.6
87.04520	0.8
93.29096	0.6
94.00607	2.0
95.01316	0.7
96.99323	1.4
110.00091	7.2
117.03460	1.2
121.02950	1.0
122.00105	4.2
135.00874	2.3
137.02431	0.9
137.99538	0.9
138.50180	0.6
149.02449	1.3
149.99591	21.0
151.00180	0.9
153.01869	0.7
156.05785	1.1
184.05231	2.4
197.06082	1.9
198.06795	1.5
210.06895	1.2
212.04770	1.4
213.05547	1.1
225.05544	2.2
226.06332	7.4
227.07063	5.4
230.05705	0.7
251.16647	0.9
254.05824	73.0
255.06215	3.9
269.04654	10.0
269.08154	100.0
269.21167	5.3
269.24542	3.5
270.05328	1.4
270.08521	6.7
290.11896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0667
Annotation	phenyl glucuronide
Peak:m/z	Relative Intensity
50.53334	0.9
53.46695	0.8
54.81826	1.1
59.01368	2.3
69.42220	6.5
70.94357	0.8
87.00875	5.3
93.03412	1.0
95.86932	0.8
96.96006	1.9
102.36198	0.9
106.89072	0.8
121.02989	1.4
122.03729	6.4
124.01658	1.7
130.99915	0.9
131.05003	1.2
136.01614	2.9
136.05249	1.6
137.06096	12.7
148.05298	30.6
149.02454	2.9
149.05647	1.1
150.03214	1.4
151.03973	0.9
161.25125	0.8
163.03929	1.0
163.07587	1.6
164.04805	4.4
165.05511	1.4
177.01888	2.9
179.07135	20.5
192.04280	8.3
205.01349	1.1
207.06622	23.7
208.06851	1.5
209.04541	43.4
210.04858	1.2
214.34074	1.0
225.07652	4.0
237.04031	3.2
251.05493	2.1
269.06650	100.0
270.07028	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	269.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47764	1.0
58.15512	1.1
59.01366	5.0
63.25518	1.2
69.37197	4.3
69.37621	4.2
71.82157	1.0
73.04803	1.0
74.02446	1.3
82.00886	1.1
83.42795	1.1
87.00877	10.0
93.03473	1.7
95.46909	1.0
96.96008	4.7
109.02986	2.0
121.02956	3.3
122.03729	11.8
123.00909	1.3
124.01665	3.8
125.02422	1.7
133.02895	1.5
136.01639	3.6
136.05342	2.2
137.02435	1.9
137.06067	16.7
147.04541	1.6
148.05315	33.6
149.02443	4.1
149.05666	1.3
150.03214	1.8
151.04013	2.1
152.01163	1.3
152.95035	1.2
154.02733	1.5
163.07664	2.2
164.04771	4.8
165.05536	2.7
177.01952	6.6
179.07132	25.5
192.04272	8.2
197.11818	1.8
205.01385	1.9
207.06609	27.2
208.07085	1.2
209.04543	47.6
209.09740	1.5
210.04926	1.5
225.07658	3.8
225.11266	1.6
237.04019	5.6
251.05687	2.3
269.06641	100.0
269.10358	5.6
269.21185	3.6
269.24973	1.4
270.06943	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	269.0453
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
59.01349	0.3
60.02457	0.2
65.00320	0.4
69.45899	0.4
69.46304	1.3
74.32183	0.2
85.46998	0.2
87.00883	0.2
88.60918	0.2
91.01897	2.1
93.03450	0.2
94.11195	0.2
96.95956	0.3
97.06563	1.0
97.07117	0.2
98.95607	0.4
107.01367	0.3
109.02975	0.2
117.03426	0.2
121.02950	0.5
125.02435	0.2
132.02164	0.4
133.02946	2.5
133.70369	0.2
135.00874	2.1
140.16678	0.2
143.05037	0.4
145.02972	0.3
147.04471	0.2
148.01735	0.4
149.02351	1.1
151.00270	0.3
153.01892	0.4
157.06522	0.3
159.04466	0.4
161.02425	0.9
167.04993	0.9
169.06599	1.4
171.04459	0.4
173.06046	0.3
180.05817	0.3
181.06578	0.5
181.12334	0.4
182.03745	0.6
183.04533	0.6
185.02489	0.4
185.06035	0.9
195.04448	1.7
196.05261	0.9
197.06076	2.7
198.03226	1.2
199.03998	0.8
201.05580	0.3
211.03979	3.1
212.04659	0.5
213.05547	13.8
214.05884	0.6
223.03975	1.8
224.04747	1.3
225.01930	0.3
225.05557	1.1
225.07080	0.3
225.09000	0.3
225.11375	0.3
226.02702	3.9
227.03357	0.5
239.03445	1.7
240.04248	1.8
241.05080	11.6
242.05431	0.7
251.03429	0.6
252.04224	0.7
254.05656	0.2
267.03036	1.0
268.03772	0.8
269.04517	100.0
269.21124	0.7
269.24799	0.6
270.01874	0.4
270.04895	7.3
277.77167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03448	3.4
59.01379	100.0
60.01718	0.6
60.12885	0.4
69.92265	0.6
69.92618	1.8
71.05025	1.7
73.02973	0.6
75.39103	0.4
81.07073	0.5
83.05035	1.6
87.00902	2.2
96.96036	1.0
139.47879	0.4
147.04514	2.2
161.09711	0.6
161.13379	2.2
163.11337	1.6
167.10948	0.4
174.51521	0.5
179.90970	0.5
187.11311	0.8
187.19711	0.4
205.12350	0.9
207.10236	3.4
217.04590	0.5
223.13385	52.6
224.13718	3.1
239.03453	0.8
252.04192	0.5
267.03433	0.7
267.06781	1.6
267.12372	6.2
267.16095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.61827	0.6
57.03440	3.1
59.01377	100.0
60.01704	1.2
71.05028	2.0
73.02954	1.6
83.05039	1.8
83.91145	0.6
87.00875	3.1
96.96027	2.2
97.06631	0.7
107.05028	0.7
120.53327	0.7
144.82532	0.6
147.04535	5.0
161.09714	1.5
161.13318	3.6
163.11351	1.4
170.78690	0.6
175.58383	0.6
177.05678	0.6
187.11253	0.7
191.03485	0.9
207.10365	2.2
213.57655	0.6
223.13377	54.1
223.34666	0.7
224.13739	3.1
226.49527	0.7
239.03293	0.6
252.04227	0.8
267.06805	2.7
267.09882	1.1
267.12576	5.4
267.16153	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98829	100.0
71.53716	1.0
80.33926	0.6
89.66309	0.5
119.05077	0.7
120.05354	1.4
130.03769	1.4
135.02127	0.9
135.03108	1.0
137.06093	1.0
147.04524	5.6
148.04848	11.4
149.05177	0.7
192.03825	1.7
268.07742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.98309	0.1
63.02399	1.2
65.00320	3.6
69.42180	0.5
69.42591	0.6
72.24269	0.2
81.03451	0.2
83.01376	1.7
93.03465	0.3
105.03462	0.8
107.01385	6.0
117.03453	22.2
118.03795	0.9
121.02953	1.5
149.02431	8.4
150.02791	0.3
151.00360	10.0
152.00664	0.3
157.06487	0.4
159.04510	1.7
165.28873	0.2
169.06602	0.4
180.05801	0.8
181.06598	1.4
182.03725	0.2
183.04477	1.4
185.02339	0.3
196.05267	0.3
197.06024	0.5
199.03836	0.2
201.05577	1.9
213.05502	0.5
224.04799	0.4
225.05563	4.1
225.14873	0.1
226.05794	0.3
227.03474	1.8
241.05028	0.4
269.04523	100.0
270.04855	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	269.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.3
60.02457	0.2
65.00320	0.4
69.45899	0.4
69.46304	1.3
74.32183	0.2
85.46998	0.2
87.00883	0.2
88.60918	0.2
91.01897	2.1
93.03450	0.2
94.11195	0.2
96.95956	0.3
97.06563	1.0
97.07117	0.2
98.95607	0.4
107.01367	0.3
109.02975	0.2
117.03426	0.2
121.02950	0.5
125.02435	0.2
132.02164	0.4
133.02946	2.5
133.70369	0.2
135.00874	2.1
140.16678	0.2
143.05037	0.4
145.02972	0.3
147.04471	0.2
148.01735	0.4
149.02351	1.1
151.00270	0.3
153.01892	0.4
157.06522	0.3
159.04466	0.4
161.02425	0.9
167.04993	0.9
169.06599	1.4
171.04459	0.4
173.06046	0.3
180.05817	0.3
181.06578	0.5
181.12334	0.4
182.03745	0.6
183.04533	0.6
185.02489	0.4
185.06035	0.9
195.04448	1.7
196.05261	0.9
197.06076	2.7
198.03226	1.2
199.03998	0.8
201.05580	0.3
211.03979	3.1
212.04659	0.5
213.05547	13.8
214.05884	0.6
223.03975	1.8
224.04747	1.3
225.01930	0.3
225.05557	1.1
225.07080	0.3
225.09000	0.3
225.11375	0.3
226.02702	3.9
227.03357	0.5
239.03445	1.7
240.04248	1.8
241.05080	11.6
242.05431	0.7
251.03429	0.6
252.04224	0.7
254.05656	0.2
267.03036	1.0
268.03772	0.8
269.04517	100.0
269.21124	0.7
269.24799	0.6
270.01874	0.4
270.04895	7.3
277.77167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	Formononetin
Peak:m/z	Relative Intensity
50.32775	0.4
54.75439	0.3
57.53003	0.4
59.01410	0.8
59.40283	0.3
60.12486	0.3
69.17865	2.9
69.18272	0.8
91.01875	1.8
96.96011	2.4
132.02173	8.8
135.00867	4.6
137.09752	0.4
147.04544	1.0
148.01802	0.5
153.01984	0.7
167.05040	0.4
180.05827	0.4
183.04613	0.4
184.59174	0.3
195.04523	6.1
196.05185	0.7
197.06067	0.6
208.05310	3.8
209.05730	0.6
211.03955	1.8
223.03987	20.0
224.04750	6.5
239.03484	7.8
240.04037	0.8
251.03473	12.5
252.04262	100.0
253.04582	5.5
267.03317	3.3
267.06598	98.3
268.03741	3.5
268.06937	6.6
280.14993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03445	2.5
58.00576	1.4
59.01379	34.4
60.04840	1.0
69.77288	1.1
69.94504	1.1
71.01379	30.2
71.51688	1.5
71.52054	1.1
72.99308	3.4
73.02910	1.2
75.00867	10.1
78.95913	4.8
85.02951	21.1
87.00879	20.9
88.04056	1.2
89.02440	17.5
95.01394	4.6
95.07118	1.0
96.96066	1.6
97.76402	1.3
99.00872	6.3
99.10617	1.1
101.02454	7.6
103.00375	2.9
111.00839	1.2
113.02445	27.6
115.00396	1.9
115.40690	1.1
117.01937	3.3
119.03465	4.5
129.02013	1.6
132.03029	4.9
139.34052	1.1
156.28563	1.1
157.05328	1.2
186.96597	2.5
191.05618	11.9
205.12790	1.2
206.95535	3.5
209.06624	1.2
249.06070	3.6
267.07205	100.0
268.07635	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40911	0.3
63.63352	0.3
70.91001	0.6
90.13831	0.4
91.05540	0.9
94.82674	0.3
97.43324	0.3
101.03955	2.5
103.05539	1.1
105.03460	0.5
119.05025	13.1
120.05353	0.4
129.03473	13.8
130.04272	3.3
145.02931	1.8
146.03758	4.1
147.04518	100.0
148.04845	3.9
149.06142	0.4
157.61107	0.3
173.02504	0.6
176.79039	0.3
191.03497	11.8
192.03847	0.7
267.05008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0662
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.01377	0.6
61.98816	0.1
87.00893	0.1
91.01877	1.5
96.67488	0.1
96.95990	0.9
104.02692	0.2
106.26238	0.1
107.01318	0.1
108.02149	0.4
119.04990	0.1
121.02961	0.1
130.24750	0.1
132.02165	8.7
133.02483	0.3
135.00865	3.2
147.04529	0.4
151.03951	0.1
153.01929	0.7
167.04976	0.5
171.04483	0.1
180.05748	0.4
193.16037	0.1
195.04489	6.3
196.05235	0.8
205.16054	0.1
208.05276	3.9
209.05672	0.2
211.03970	0.1
223.03975	20.0
224.04716	6.6
225.05093	0.3
238.52042	0.1
239.03470	0.3
249.15001	0.2
251.03471	12.9
252.04248	100.0
253.04597	6.3
253.06802	0.1
267.06589	92.1
268.06927	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
61.98825	2.6
62.38004	0.3
69.67996	1.1
71.01354	1.5
73.02955	0.7
75.00858	0.3
83.94344	0.2
85.02950	0.6
87.00871	1.3
88.04037	1.5
89.02447	0.6
89.04408	0.3
90.02821	0.3
91.05531	0.8
101.02422	0.6
101.03974	1.9
103.05523	0.9
105.03455	0.6
112.98837	0.4
113.02454	0.6
117.03480	0.4
119.05022	11.4
120.05354	0.3
129.03470	13.0
130.04253	2.7
132.03023	1.1
133.03337	0.5
137.02380	0.3
145.02972	1.7
146.03716	4.1
147.04514	100.0
148.04868	3.6
149.06044	0.9
161.04625	0.3
173.02437	0.8
179.07109	0.6
191.03491	12.9
192.03876	0.7
267.04819	0.6
267.07458	1.9
267.09793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.217
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
53.14553	0.3
55.63160	0.3
59.01357	1.2
62.79980	0.3
69.93372	1.5
79.95728	0.6
92.62650	0.4
96.96001	24.1
103.01866	1.2
105.03436	0.4
112.98540	0.7
120.94940	0.4
121.02947	0.6
131.01413	0.7
149.02376	0.6
159.00871	1.4
172.42194	0.3
181.71393	0.4
181.73589	0.3
199.76212	0.4
202.99518	0.6
247.20605	0.4
264.99805	0.9
265.14786	20.4
265.21689	100.0
266.15137	1.4
266.21997	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	266.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79611	0.6
59.01368	2.4
69.36880	4.9
71.01379	9.2
79.27695	0.5
88.04034	96.9
89.04338	1.1
92.29076	0.7
93.03454	0.6
101.03970	1.1
107.05025	2.7
114.01974	5.2
115.00359	19.7
119.05011	5.8
123.04527	2.3
129.03488	5.7
130.04268	1.0
132.03020	100.0
133.02914	5.0
146.03723	2.9
147.04512	49.2
148.14522	0.6
150.05609	5.5
151.04012	9.3
162.02791	0.9
191.03511	7.0
199.95282	0.6
201.20062	0.6
204.10304	1.2
208.10516	0.9
222.04895	1.3
222.07686	3.9
248.05634	1.7
248.12801	0.9
266.06683	36.6
267.07095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61422	0.3
59.01368	0.5
69.19145	0.8
69.19563	1.7
71.01376	0.4
73.02946	0.2
91.05523	0.9
93.03454	1.3
95.04989	0.3
101.03950	1.8
103.05547	0.7
104.33216	0.3
105.03452	0.3
111.76897	0.3
117.03426	0.4
119.05016	11.0
121.02936	0.4
129.03461	11.9
130.04274	3.6
132.43758	0.2
140.25252	0.2
145.02946	2.1
146.03720	3.9
147.04509	100.0
148.04822	3.5
149.06059	0.4
173.02411	0.6
173.06050	1.0
179.07068	0.4
187.00856	0.3
191.03485	14.8
192.03946	0.7
251.07126	1.4
267.10226	2.9
267.12451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94459	0.2
57.46903	0.3
59.01369	0.8
69.75077	1.1
71.01373	0.3
74.04048	0.3
83.80641	0.3
87.00855	0.4
91.05534	0.9
92.12733	0.3
93.03445	0.3
94.50525	0.3
95.46544	0.2
96.96004	0.7
99.42349	0.3
101.03966	1.8
102.04821	0.3
103.05543	0.6
113.11594	0.2
117.03450	0.4
119.05029	12.6
120.05350	0.4
121.02960	0.5
129.03470	13.7
130.04291	2.9
145.02966	1.9
146.03755	4.2
147.04526	100.0
148.04883	3.3
149.06102	0.8
173.02461	0.9
179.07164	0.6
191.03506	13.7
192.03833	0.4
267.05054	0.6
267.09543	0.3
267.12421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45956	0.4
54.85290	0.4
59.01374	100.0
60.01714	1.0
71.22002	0.4
71.30756	0.7
101.02441	0.7
113.02398	0.6
124.95480	0.5
148.05278	2.1
263.01794	0.6
263.12637	0.6
278.54575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10107	0.5
59.01377	100.0
59.30797	0.5
60.01706	0.7
69.21608	0.6
71.02433	1.4
73.02953	0.9
87.08637	0.5
93.03496	1.5
101.98553	0.5
106.58993	0.7
107.11440	0.6
117.03429	0.9
118.11407	0.5
119.05047	0.9
121.03036	0.8
133.02957	0.8
145.02953	1.3
147.04523	1.1
148.05348	1.4
161.02448	5.5
189.01932	0.6
191.03571	1.0
219.02995	3.1
241.62997	0.5
263.02063	1.4
263.13074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86271	0.4
59.01376	100.0
60.01714	0.7
64.59732	0.4
69.74184	2.0
71.01381	0.8
73.02937	1.0
80.96539	1.0
83.01380	0.4
85.02928	0.8
89.02418	0.4
98.19877	0.7
101.02487	0.8
127.07632	0.6
132.33817	0.5
143.07146	0.7
148.01671	0.7
161.02473	0.5
162.95894	0.5
172.38095	0.4
175.04016	0.6
176.01166	1.4
189.07661	0.6
191.83501	0.4
204.00616	0.9
245.93582	0.4
263.01962	0.5
263.05945	1.4
263.11353	1.7
264.04303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90853	0.4
59.01378	100.0
60.01707	0.7
61.67414	0.4
70.67668	1.2
73.02938	0.7
76.27893	0.4
84.33211	0.4
98.02445	0.4
147.50124	0.4
176.01170	1.1
179.67705	0.4
204.00793	0.7
262.19821	0.4
263.02304	0.5
263.05637	0.7
263.14929	0.4
264.08829	0.7
276.19852	0.5
276.92618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84438	1.7
57.03431	2.4
59.01375	33.8
64.20004	2.0
71.01372	4.7
71.31119	3.8
73.02970	1.9
79.05557	2.3
83.05045	3.2
85.02940	3.9
95.05026	2.8
97.02932	10.5
99.83843	2.2
107.05025	4.5
107.25402	1.7
108.05839	7.2
109.02964	9.7
109.06593	3.1
111.04495	12.4
111.08115	2.2
113.06075	11.7
119.08630	3.5
121.06580	3.5
122.03718	16.5
123.04463	2.8
123.08150	8.8
125.06088	19.4
135.08147	2.9
136.05305	19.0
137.06099	4.5
138.06868	21.2
139.07643	38.0
148.05316	12.6
149.06047	5.5
151.07635	79.4
152.04802	9.7
152.08420	43.8
153.09219	15.8
159.11790	4.8
161.09726	8.9
163.07655	16.5
167.07164	3.5
170.05748	2.4
171.08200	2.2
185.09743	2.4
186.10487	2.5
188.08429	3.2
189.09171	8.9
194.49121	1.9
201.12840	33.8
203.10757	29.6
204.11536	69.8
205.11885	5.6
219.03032	2.0
219.13873	100.0
220.14172	5.4
263.01752	2.6
263.09256	3.4
263.12894	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	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
55.64483	0.3
59.01380	3.0
61.98833	0.3
62.84611	0.3
67.01886	0.9
71.01386	0.4
93.03453	0.4
105.22839	0.3
111.00935	0.5
113.55897	0.3
133.02979	0.5
145.13304	0.3
149.02403	0.6
168.86885	0.4
175.03947	0.4
190.99687	0.4
201.12698	0.4
219.02975	0.8
219.17465	0.8
219.20987	0.5
245.18938	0.5
261.18616	0.5
262.98404	0.3
263.01917	0.9
263.20135	100.0
264.20477	7.3
283.49988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56598	1.0
57.40578	1.0
58.10798	1.1
66.04828	1.3
69.40965	8.9
70.02975	20.6
71.01385	5.3
91.05516	7.1
93.15295	1.1
96.99323	6.6
112.00456	1.5
114.01965	100.0
115.02283	1.8
117.03461	9.8
129.59630	1.2
131.06798	1.2
134.06120	25.0
144.08165	2.4
146.04593	4.6
146.06108	2.4
154.32208	1.6
160.07645	3.4
188.07123	4.6
232.06126	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	265.0351
Annotation	Kynapcin 13
Peak:m/z	Relative Intensity
51.34839	1.0
54.34046	1.1
64.44655	1.0
65.33620	0.9
69.71120	1.2
70.38419	3.2
70.38782	1.4
89.03967	6.4
93.03451	2.5
97.69669	1.0
98.20543	1.6
117.03442	4.1
125.73643	1.0
136.41878	1.1
137.02415	2.1
145.02908	3.0
160.01685	6.2
161.02426	100.0
162.03227	14.9
163.03711	1.2
177.05559	1.8
189.01917	69.1
190.02180	2.5
206.02298	1.3
207.02946	4.3
221.04478	2.1
233.00853	15.6
234.01099	1.8
265.07294	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	261.113
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
57.03454	1.1
58.03169	0.3
59.01385	1.3
59.75854	0.3
64.49677	0.4
69.03454	2.9
69.64057	0.8
69.64466	1.3
73.12446	0.3
74.02479	1.0
82.62536	0.3
85.02956	0.9
86.65939	0.3
87.00896	0.4
93.03483	1.0
97.06588	6.0
98.19927	0.7
109.02962	0.9
111.04546	0.9
116.03588	0.4
119.05050	0.4
120.39402	0.4
121.02916	1.6
122.03753	1.3
123.04498	3.0
132.04613	0.4
133.02925	0.5
135.04494	0.7
137.02458	0.4
143.05020	0.4
145.02957	1.1
146.03726	6.4
147.04504	2.7
149.02406	1.4
149.06061	0.7
157.06554	0.8
159.04501	8.5
160.05255	0.9
161.02458	0.6
161.06082	6.5
162.03255	1.1
162.06770	0.5
163.04010	3.4
163.07649	2.2
164.04800	9.3
165.09215	1.1
171.04581	0.9
172.05206	0.7
173.02415	1.8
173.06091	1.3
174.03253	4.6
174.05678	0.4
174.06839	10.9
175.04036	2.1
175.07622	9.9
176.08017	0.5
185.06082	1.2
186.06848	3.9
187.03996	1.5
187.07605	1.6
188.04771	49.5
189.05556	29.5
189.09189	1.3
190.06207	2.2
191.07149	0.8
199.07602	1.9
200.08345	0.8
201.05646	0.4
201.09213	1.1
203.07121	11.3
204.07895	18.1
205.08647	1.8
213.05527	1.3
214.06339	14.8
215.06784	1.1
215.10764	1.5
216.07899	1.5
217.08675	100.0
218.05794	0.7
218.09050	5.6
219.10344	2.1
219.12267	0.5
225.09076	1.9
228.07889	0.7
232.07358	7.2
243.10240	20.6
244.10577	1.3
261.11276	56.8
262.11667	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	261.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03451	1.1
59.01379	0.9
64.21399	0.7
64.31388	0.6
64.83439	0.7
69.03462	3.0
70.71682	1.1
70.72005	0.9
71.83698	0.7
75.00860	0.8
85.02956	1.5
97.06585	5.9
109.02956	0.9
113.06114	2.1
116.30608	0.7
121.02975	2.0
122.03768	1.0
123.04515	4.7
127.36292	0.7
129.01941	2.3
133.06934	0.9
135.04544	1.0
146.03728	6.8
147.02983	1.3
147.04506	3.3
149.02449	1.6
149.06100	0.8
159.04529	9.1
160.05315	0.9
161.06088	5.7
162.03175	1.0
163.04004	4.3
163.07678	2.7
164.04797	9.7
165.04053	1.9
165.09253	1.2
171.04579	1.1
172.05363	0.9
173.02457	1.7
173.06061	1.4
174.03258	6.3
174.06863	10.9
175.03970	2.0
175.07617	10.1
176.07961	0.6
185.06117	1.6
186.06865	3.8
187.07693	1.4
188.04785	48.2
189.05563	29.8
190.06142	2.6
191.07117	0.9
199.07634	2.1
200.08443	1.0
201.05560	1.2
201.09242	1.1
202.06218	0.7
203.07124	12.3
204.07907	22.0
205.08569	3.0
213.05566	2.4
214.06339	15.4
215.06804	0.9
215.10735	1.9
216.07993	0.8
217.08682	100.0
218.05824	0.9
218.09050	6.5
219.10298	2.3
221.63800	0.7
225.09100	1.5
232.07388	7.2
233.11835	0.8
243.10245	24.0
244.10567	0.8
259.22791	0.7
261.11295	61.9
262.11597	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	265.1441
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
59.01379	4.8
59.98509	2.4
64.98387	1.0
71.01379	1.4
71.53885	0.9
71.54257	1.0
75.14207	0.8
78.95905	1.3
79.23909	0.9
83.05039	0.9
85.02948	1.3
93.03460	1.1
95.05020	2.3
95.18165	0.9
96.95997	2.5
99.04511	35.0
101.02405	1.0
103.01889	7.8
105.03448	1.3
107.01362	1.9
107.07543	0.9
109.06642	1.1
111.04494	1.9
121.02940	1.1
129.95784	0.7
131.01363	3.7
133.02939	1.6
135.00929	0.8
137.02467	1.0
147.00833	0.9
149.02432	1.9
149.03612	0.9
159.00880	5.6
177.01918	1.3
177.05502	1.3
196.33289	0.8
200.84093	0.8
202.99922	1.0
203.14371	14.5
204.78763	0.8
221.15440	100.0
222.15750	5.1
225.06993	0.9
247.13416	5.1
264.99850	3.0
265.14401	64.8
266.14737	2.8
289.76074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06814	0.3
56.29772	0.3
59.01378	14.3
62.73939	0.2
65.00329	0.6
68.99813	14.1
71.01390	0.5
71.54705	0.4
72.99323	0.4
80.99844	0.4
83.75043	0.3
86.74929	0.3
91.05541	0.3
93.03454	17.8
94.03780	0.4
95.05029	0.4
96.99313	7.6
99.00887	0.4
103.35555	0.3
107.05042	1.2
108.02157	0.3
109.02920	0.5
117.03461	13.0
118.03839	0.4
119.05022	14.9
120.05374	0.5
121.02956	9.2
122.03315	0.3
123.04494	0.7
124.98824	0.4
125.99560	1.5
129.03476	0.9
131.05020	0.8
132.02211	0.4
133.02956	16.6
134.03331	0.3
135.04521	3.4
137.02463	1.6
145.02951	20.2
146.03409	0.6
147.04518	8.7
148.05287	1.9
149.02441	3.7
151.04024	0.9
157.02937	0.9
160.01630	1.2
161.02438	100.0
162.02789	3.3
163.04019	5.8
173.02425	9.8
174.03139	0.8
175.03998	6.7
177.01936	1.0
189.01944	4.0
190.02686	3.6
190.05159	0.5
191.03506	28.6
192.03847	0.8
201.01947	3.3
201.23785	0.3
204.06618	0.4
217.01318	0.6
219.02968	38.9
219.17557	1.1
220.03351	1.4
231.73399	0.3
235.02437	0.4
247.87122	0.3
263.01938	8.7
263.04758	0.5
263.12839	0.3
263.16385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88427	0.5
55.67013	0.4
59.01377	100.0
59.89703	0.5
60.01694	0.7
68.99792	0.5
69.28207	2.7
69.28624	1.6
93.03473	1.7
101.02476	0.6
117.03502	0.7
119.05051	0.9
133.03011	0.9
137.02525	0.6
147.04509	0.8
148.05322	1.4
149.59741	0.5
161.02417	4.3
163.03951	0.6
163.52563	0.5
173.02470	0.5
175.04059	1.7
178.41745	0.5
191.03549	1.6
219.03101	1.5
239.97591	0.5
263.02026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.113
Annotation	Wutaiensal
Peak:m/z	Relative Intensity
57.03440	1.1
59.01376	2.1
63.28069	0.4
69.03461	2.9
69.55991	2.7
74.02477	1.0
85.02952	1.0
88.05775	0.4
88.52114	0.5
93.03460	1.9
97.06590	5.7
109.02980	1.4
111.00896	0.9
111.04469	0.5
117.03458	4.8
121.02967	4.3
122.03732	2.0
123.04530	2.6
125.09712	2.3
133.02962	0.7
133.06589	0.6
135.04492	1.4
145.02942	11.2
146.03729	7.5
147.04503	2.2
147.08116	0.6
148.05252	0.8
149.02386	1.3
149.06155	0.6
157.06587	0.8
159.04489	7.8
159.69403	0.5
160.05275	0.7
161.02431	1.1
161.06065	4.8
162.03226	1.7
162.06876	0.6
163.04005	5.8
163.07683	1.2
164.04774	10.1
165.09227	0.9
171.04442	0.9
171.08112	0.6
172.05339	0.7
173.02470	2.3
173.06094	1.5
174.03242	4.6
174.06842	11.5
175.03949	2.0
175.07616	9.2
176.04834	0.6
185.06067	0.9
186.06859	3.6
187.03978	1.0
187.07634	1.0
187.09691	2.2
188.04774	45.3
189.01965	3.8
189.05559	23.9
189.09204	1.2
190.06142	1.7
191.10741	0.7
199.07596	2.1
200.08311	0.9
201.05548	1.4
201.09177	2.0
203.07123	11.2
204.07886	17.6
205.08488	1.6
213.05563	1.7
214.06352	12.9
215.06793	0.7
215.10786	1.7
216.07889	1.6
217.08673	100.0
218.05785	1.0
218.09035	6.1
219.10271	2.6
225.09171	2.2
227.06955	0.9
228.07909	0.8
229.08586	0.7
232.07365	5.5
233.11784	0.6
243.10225	20.8
244.10555	1.3
253.06332	0.5
261.11276	52.8
262.11569	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	261.0877
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
57.08546	0.5
57.14262	0.5
58.87118	0.5
58.95293	0.5
59.01377	7.3
69.22347	4.1
70.02979	9.0
72.04546	3.7
74.02470	100.0
75.02794	1.0
84.04557	1.2
97.02961	0.5
97.06606	0.8
97.98557	0.5
98.02473	23.6
99.00845	0.6
100.00357	0.6
107.05030	0.5
116.03533	52.5
123.04500	1.0
128.03535	6.5
132.04539	31.5
133.04897	1.0
144.04556	7.3
144.05621	0.9
158.02455	0.6
163.03999	1.7
164.04707	1.0
173.07318	0.7
173.09731	1.8
174.03180	0.9
175.08749	1.7
187.03978	0.5
187.07549	0.5
188.04778	3.3
189.01938	1.0
189.05530	2.2
199.07504	0.7
201.06677	13.4
201.11481	0.6
203.07175	1.3
204.07964	1.5
214.06335	1.3
217.05077	0.8
217.08632	8.6
218.09195	0.8
219.07733	3.5
219.12448	0.9
219.59155	0.5
243.07730	1.6
243.10295	2.2
261.08789	32.7
261.11368	5.4
262.09195	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24876	0.4
54.45411	0.4
54.55321	0.3
55.01869	0.5
57.03456	0.9
59.01381	1.3
68.99799	0.5
69.03451	3.9
71.01389	0.4
71.54025	0.6
74.02511	0.4
75.00873	1.1
85.02960	1.4
87.00846	0.5
91.01935	0.4
91.55520	0.4
93.03484	0.6
97.06583	6.4
98.02517	0.4
99.00870	0.6
100.91991	0.4
109.02937	0.7
111.04494	0.4
113.06084	2.9
119.05025	0.8
121.02943	1.4
122.03748	1.6
123.04550	3.4
129.01990	0.5
133.02962	0.6
135.04498	0.9
138.05647	0.9
139.04021	0.6
143.05051	0.7
145.02879	0.9
146.03719	6.7
147.03145	0.5
147.04543	3.7
147.08183	0.4
148.05293	0.8
149.02422	1.6
149.06136	0.5
157.06503	0.4
158.03726	0.5
159.04507	8.8
160.05183	0.9
161.02486	0.5
161.06078	6.6
162.03207	1.4
163.04015	3.8
163.07677	2.3
164.04782	10.3
165.04005	1.1
165.09161	1.0
171.04504	1.2
171.08047	0.4
172.05289	0.7
173.02460	2.0
173.06047	2.8
174.03249	4.9
174.06860	10.0
175.04050	2.5
175.07629	10.3
186.06865	4.1
187.04025	0.9
187.07626	1.6
188.04782	51.7
189.05562	32.1
189.09183	1.4
190.06187	2.5
191.07185	0.4
191.10765	0.6
199.04036	0.8
199.07677	1.0
200.08386	1.2
201.05537	1.1
201.09189	1.2
202.06331	0.5
203.07118	12.5
204.07896	20.2
205.08627	2.8
213.05573	1.6
214.06349	14.5
215.06857	1.3
215.10773	1.7
216.07825	1.2
217.08679	100.0
218.02768	1.0
218.05721	1.0
218.09039	4.9
219.10342	1.9
225.09143	2.1
225.11191	0.7
228.07932	0.8
232.07370	9.0
233.07803	0.5
233.11766	0.6
243.10231	22.0
244.10573	1.3
261.11295	62.4
262.11679	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	259.0975
Annotation	Heteropeucenin
Peak:m/z	Relative Intensity
59.01373	0.8
85.02938	0.6
91.00308	0.4
109.02956	0.7
146.03755	0.4
147.04512	0.7
159.04549	4.0
160.05301	5.0
161.02510	0.6
161.05861	0.6
171.08167	0.5
172.05249	2.7
173.06070	11.7
174.03233	0.8
174.06844	2.8
175.04112	0.5
175.07581	0.6
185.06044	1.2
185.09904	0.5
186.03177	0.9
186.06929	0.7
187.03993	5.8
187.07648	8.3
188.04805	5.6
188.08401	3.1
189.09233	6.7
197.06305	0.6
199.07635	0.9
201.05565	22.7
202.06296	4.0
203.07120	3.3
212.04816	1.9
213.09117	0.8
215.07112	12.3
215.10513	0.7
216.07892	32.3
217.08673	100.0
218.08994	6.4
229.05040	1.4
229.08611	0.5
230.05807	13.8
231.06560	1.0
231.10265	1.6
241.08701	3.1
259.09726	84.0
260.10013	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	261.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69962	0.4
53.32724	0.5
59.01382	0.9
62.30215	0.5
71.54208	0.8
71.54576	0.5
76.26251	0.4
84.77587	0.4
93.03455	30.3
94.03767	0.8
101.02480	0.5
117.03465	29.3
117.31136	0.4
118.03803	0.8
119.01372	0.9
121.03007	1.0
125.09716	0.6
133.02933	1.4
137.02492	1.1
145.02928	1.3
146.03635	0.6
147.00891	3.8
149.02391	0.7
154.27740	0.5
157.02931	1.4
161.02435	8.3
163.04001	0.7
173.02452	2.2
174.03204	1.9
175.03781	0.5
188.04669	0.6
189.01920	100.0
190.02261	4.1
211.13452	3.3
217.01428	1.6
217.05014	2.4
217.08751	0.7
218.02109	0.5
218.20883	0.5
233.11819	0.5
261.00381	13.5
261.03833	1.5
261.08774	0.6
261.11240	3.5
261.22153	0.8
262.00836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54194	0.2
59.01350	0.2
62.96383	0.4
70.12800	0.7
71.01375	0.4
73.02937	0.2
78.95900	92.9
92.82728	0.2
96.96957	100.0
98.20752	0.2
101.02465	0.5
138.98022	5.9
138.99097	0.3
150.97897	0.3
168.99059	3.1
178.96024	1.1
196.92612	0.8
198.90587	2.1
198.92210	0.4
199.00114	3.3
199.79558	0.2
213.05060	0.4
214.93581	1.2
216.90607	7.1
217.90712	0.5
223.00160	0.4
234.91661	0.5
240.91565	2.3
241.01157	2.6
258.84711	0.5
258.87460	0.3
258.92072	4.5
259.02216	23.2
259.92413	0.3
260.02609	0.5
276.88455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
51.54194	0.2
59.01350	0.2
62.96383	0.4
70.12800	0.7
71.01375	0.4
73.02937	0.2
78.95900	92.9
92.82728	0.2
96.96957	100.0
98.20752	0.2
101.02465	0.5
138.98022	5.9
138.99097	0.3
150.97897	0.3
168.99059	3.1
178.96024	1.1
196.92612	0.8
198.90587	2.1
198.92210	0.4
199.00114	3.3
199.79558	0.2
213.05060	0.4
214.93581	1.2
216.90607	7.1
217.90712	0.5
223.00160	0.4
234.91661	0.5
240.91565	2.3
241.01157	2.6
258.84711	0.5
258.87460	0.3
258.92072	4.5
259.02216	23.2
259.92413	0.3
260.02609	0.5
276.88455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.2
57.03426	0.9
58.02947	0.7
59.01355	1.3
61.98798	0.9
68.99787	0.5
69.03414	1.4
70.02931	0.7
71.01361	2.8
71.04970	1.2
72.04553	3.6
72.99292	0.6
73.02933	0.8
74.02433	0.7
78.95496	0.8
78.95901	11.2
82.02979	10.4
83.01357	1.6
84.00899	0.7
84.04518	2.0
85.02924	1.5
85.27474	0.4
86.06077	1.8
87.00859	1.1
87.05607	1.6
88.04005	1.4
89.64744	0.5
93.03458	0.6
94.02979	9.1
94.96951	0.5
96.00895	0.8
96.03969	0.9
96.04544	14.0
96.96003	1.1
96.96959	10.8
98.00655	0.5
98.02473	4.9
99.00887	3.2
100.03996	1.4
101.02421	1.0
107.05050	0.6
108.04549	1.1
109.04080	0.6
109.06566	1.2
110.06056	0.8
111.00860	1.6
112.04041	3.1
112.98827	4.0
113.02403	0.6
114.05595	1.3
115.00286	0.6
121.06573	1.8
122.06130	1.3
123.03224	0.9
123.04536	0.8
124.07677	1.3
126.05566	0.7
127.05132	1.5
128.03493	1.4
129.01883	0.8
129.10329	2.2
130.05060	2.9
130.08746	1.1
134.06134	1.8
135.04543	0.9
136.07668	2.1
138.97984	0.7
140.03572	0.7
142.08708	0.7
143.04559	0.6
145.06178	0.6
150.05589	3.1
150.06639	0.6
152.07164	100.0
153.07533	3.0
156.06718	0.8
165.05641	0.7
168.06604	1.3
169.01280	0.6
173.00961	1.2
178.05060	5.0
196.06149	11.9
196.14502	2.6
213.05219	2.1
222.04156	1.2
240.05116	18.7
240.13654	1.6
241.04897	1.8
258.06311	18.1
258.10181	1.6
258.14484	4.3
258.18408	0.9
259.02338	2.2
259.06238	1.8
264.46149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86005	2.2
53.46259	2.2
57.03436	6.9
58.26405	2.4
59.01373	6.3
62.88325	3.0
70.05958	5.3
70.06343	4.5
71.01391	11.5
72.00879	2.9
72.04536	12.1
73.02942	3.9
74.02461	8.3
78.95899	68.7
79.95744	7.5
82.02977	56.0
82.73896	2.8
83.01380	7.3
84.04516	3.1
85.02946	8.9
86.06110	8.6
87.00864	5.3
87.05618	4.7
88.03990	2.3
88.98808	2.4
93.03448	10.9
96.00883	3.7
96.04559	4.3
96.95998	3.5
96.96964	66.0
98.01900	3.0
98.02479	32.4
99.00872	19.4
100.03451	2.8
100.04048	27.5
100.04668	3.8
101.02468	5.7
107.04981	2.4
111.00880	11.7
112.04044	7.7
112.98799	24.0
113.03514	2.2
114.05607	10.8
115.00338	4.3
116.23991	2.4
119.05019	21.1
128.03542	2.6
129.01927	9.1
130.05032	2.4
130.08736	3.2
131.08199	2.3
132.06647	26.0
134.07330	2.5
135.04463	2.8
136.07669	7.1
138.97995	5.0
142.08716	5.2
152.07143	12.2
153.07539	23.3
154.08664	3.6
163.04047	3.8
170.08199	5.1
173.00882	8.8
179.48741	2.2
180.06619	22.1
196.06070	4.5
198.07730	14.4
199.00691	12.3
211.99675	2.7
212.34201	2.4
213.05032	12.7
214.07231	10.7
215.00140	6.2
216.08687	4.0
239.10750	3.2
241.01102	3.5
241.05028	8.0
242.06677	20.9
251.82593	2.2
259.02185	18.6
259.05917	10.1
260.02298	35.9
260.07736	100.0
265.08789	2.3
276.35422	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	259.0243
Annotation	Demethylbellidifolin
Peak:m/z	Relative Intensity
50.67131	0.1
65.00315	1.3
67.01896	0.3
68.99811	0.9
69.26760	0.7
69.27189	0.7
75.70050	0.1
78.95886	0.3
80.54426	0.1
83.01399	0.2
84.54404	0.1
89.02392	0.1
92.99817	0.7
93.03453	5.4
95.01395	0.2
96.96993	0.3
96.99316	0.6
102.04741	0.2
103.05538	0.9
110.00105	0.1
111.00880	1.3
115.05534	0.3
116.02687	0.2
117.03461	64.1
117.19792	0.2
118.03799	2.3
119.05038	0.4
121.02937	0.2
123.04515	0.2
130.03265	0.3
130.04242	6.5
131.01312	0.2
131.05032	6.7
132.05405	0.3
133.02948	2.3
135.04507	0.2
136.98808	0.5
137.02367	0.3
141.03448	2.0
143.04999	1.8
145.02956	1.6
147.00903	0.3
147.04466	0.3
149.02356	0.2
157.02956	0.3
158.03734	3.3
159.04506	37.8
160.01753	0.2
160.04831	1.4
161.02431	21.4
162.02773	0.8
163.04051	0.3
164.98285	0.7
169.02945	2.5
171.04500	0.7
172.05322	0.2
173.02425	0.9
174.03088	0.3
175.03984	0.6
185.02443	1.3
186.03215	3.8
187.03996	23.2
188.04358	1.2
189.01924	9.1
190.02370	0.4
191.03485	6.7
192.03899	0.2
201.05606	0.2
203.03488	0.6
213.01926	2.5
214.02132	0.2
215.03485	6.1
215.06978	0.3
216.03844	0.4
216.07985	0.4
217.08601	0.2
218.02065	0.2
229.01433	0.2
230.02231	0.2
231.02950	1.9
235.02403	0.4
259.02441	100.0
260.02780	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	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26542	0.4
59.01384	1.2
70.68797	0.5
70.69132	0.5
71.01411	0.4
87.00876	20.5
91.46174	0.5
93.03476	0.7
94.35545	0.4
95.05042	0.9
97.40124	0.4
107.97629	0.4
108.02168	0.5
109.02927	0.8
115.00370	0.6
121.02945	1.8
121.06538	0.6
122.03735	3.3
123.04523	100.0
124.04829	3.1
131.05049	0.5
137.02458	0.5
143.13278	0.4
147.04509	1.0
148.05281	1.2
149.06076	24.6
150.03227	4.4
150.06418	0.9
151.04037	2.1
165.05560	15.2
166.05963	0.7
175.03992	1.3
187.89828	0.5
193.05040	14.0
194.05399	0.9
195.02982	19.6
196.03331	0.8
219.02921	1.8
234.79605	0.5
237.03969	2.7
255.05084	73.7
255.23253	4.9
256.05374	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	257.082
Annotation	Hibiscoquinone A
Peak:m/z	Relative Intensity
59.01372	0.3
65.00309	0.6
71.02840	0.7
83.05017	0.7
95.01389	0.8
97.06629	0.7
104.51449	0.3
117.03455	1.8
117.74047	0.3
121.02939	1.0
123.00860	0.4
125.02408	0.6
133.02945	0.3
134.03668	0.4
141.03459	7.3
143.05022	0.7
143.08662	0.8
144.05826	0.5
145.06560	0.8
146.03755	0.3
147.04524	0.5
149.06110	0.5
150.06363	0.4
157.06557	0.5
158.03680	1.0
158.07343	0.7
159.04445	0.9
159.08144	1.0
161.02414	0.6
161.06079	3.3
162.03191	0.7
169.06584	0.5
171.04497	1.7
171.08154	0.8
171.98871	0.3
172.05293	4.5
173.02402	1.0
173.06061	13.9
174.03172	2.3
174.06546	0.4
175.03876	0.5
180.05785	1.9
182.03563	0.5
183.04529	0.6
183.08157	1.8
184.05302	0.5
184.08911	1.0
185.02449	1.0
185.06068	2.4
185.09665	3.3
186.03242	0.6
186.06865	2.9
187.03986	1.0
187.07628	8.6
188.04796	1.2
188.07935	0.4
189.05533	0.7
195.08133	7.0
196.05333	1.6
196.08615	0.5
197.05937	0.5
198.06927	0.5
199.03993	10.1
199.07658	0.7
200.04787	14.9
200.08461	0.5
201.05553	9.3
201.09180	9.0
201.11052	0.4
202.06206	1.1
202.09526	0.5
203.07147	0.6
210.03185	0.4
210.06882	1.6
211.04019	1.4
211.07631	3.8
212.04773	1.4
213.01967	3.8
213.05548	4.5
213.09178	6.7
213.14986	0.4
214.06322	9.1
214.09596	0.4
215.07091	8.4
218.05762	0.4
224.04776	2.4
227.03519	4.6
227.07054	4.4
228.01947	0.5
228.04279	18.2
228.07779	6.3
229.05235	2.0
229.08672	18.2
230.09012	0.8
239.07094	8.4
241.04890	0.4
242.05876	1.9
246.05295	3.2
256.23624	0.9
257.08173	100.0
257.23840	1.0
258.08560	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
60.01714	2.7
61.98830	100.0
64.71678	0.3
68.03684	0.3
71.01386	0.5
71.15599	0.7
87.00878	4.2
94.54883	0.3
97.59658	0.3
99.11723	0.3
123.04521	17.6
142.99829	0.8
149.06082	4.1
150.03229	0.6
162.04912	0.7
165.05525	3.1
175.03944	0.4
190.03413	0.4
193.05078	2.2
193.07043	0.7
194.07437	1.8
195.02977	3.8
219.02876	0.4
237.03941	0.6
255.05104	12.2
255.07730	0.6
255.23337	0.3
274.38623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75945	0.5
51.68215	0.6
53.25335	0.5
57.07812	0.5
59.01380	1.9
61.98830	0.9
65.16672	0.5
70.80051	0.6
70.92697	1.3
70.93068	0.8
71.74903	0.6
87.00867	18.9
93.03455	1.0
97.91231	0.6
109.02928	0.8
121.02954	1.0
121.06538	0.7
122.03741	3.1
123.04517	100.0
124.04845	2.5
137.02466	0.6
148.05347	1.3
149.06062	23.7
150.03227	5.5
150.06421	1.0
151.03970	1.7
165.05556	14.7
175.04031	1.4
193.05035	14.7
195.02971	19.1
196.03328	1.1
219.02928	1.9
237.04018	2.8
255.05075	64.6
256.05429	4.6
263.91275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87962	0.6
70.39535	1.0
70.51540	0.5
75.07924	0.5
87.00874	20.2
95.05033	0.7
108.02133	1.0
115.00386	1.0
121.02969	1.0
121.06590	0.7
122.03722	3.0
123.04523	100.0
124.04869	2.4
126.63294	0.5
135.85640	0.5
137.02446	0.6
147.04529	1.1
148.05284	1.7
149.06078	23.8
149.35977	0.5
150.03180	3.5
150.06425	1.2
151.04024	2.1
161.13478	0.5
165.05569	15.7
166.05977	0.6
175.03984	1.6
193.05040	13.6
195.02982	20.6
219.02951	1.4
237.04085	3.2
255.05081	72.4
255.23268	3.1
256.05392	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1651
Annotation	Hebelophyllene B
Peak:m/z	Relative Intensity
57.03443	1.1
59.01379	16.9
61.98822	2.0
71.01376	1.9
71.08000	1.5
85.02972	1.3
91.01883	1.6
93.03452	3.0
93.63542	1.0
95.01365	0.9
96.95984	2.2
97.06587	2.4
99.00887	1.1
99.08149	10.1
101.02448	0.9
107.05004	1.7
117.03451	2.3
119.01381	0.8
123.08134	0.8
125.09734	9.4
129.01909	2.8
135.00899	1.5
135.04530	1.3
137.09720	1.0
153.57362	0.8
159.02951	1.7
159.73094	0.9
161.02432	2.3
163.04019	0.9
178.99770	1.0
189.01973	7.2
189.16481	1.1
206.99330	1.4
207.17499	6.6
223.17021	14.2
233.15428	8.9
251.01965	2.1
251.16522	100.0
252.16762	5.6
253.07053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16648	0.5
59.01379	100.0
70.71485	1.8
71.01389	2.0
73.02967	1.8
85.02969	1.6
87.00890	0.9
89.75825	0.6
90.77229	0.6
99.00882	1.2
101.02457	1.9
105.23853	0.6
141.01897	0.8
161.04578	3.8
165.05525	0.6
193.07144	17.9
194.07616	0.7
199.40680	0.6
210.47313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52988	0.5
59.01378	100.0
60.01707	0.8
66.20884	0.6
69.95773	0.6
71.01375	1.3
71.14938	0.9
73.02938	1.0
85.02964	1.7
87.00889	1.5
93.84419	0.6
99.00919	0.8
100.46568	0.7
101.02451	2.6
122.33904	0.7
125.02469	0.8
141.01981	1.5
147.04547	1.0
161.04585	4.9
193.07158	20.7
193.08829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
57.03436	4.1
59.01379	100.0
67.01878	2.9
68.99825	1.3
69.03455	5.6
70.19865	1.0
70.85523	2.0
70.85867	0.9
71.01380	16.5
71.75534	1.0
72.99306	6.6
73.02944	3.9
75.00869	10.6
83.01379	6.9
85.02956	12.8
87.00875	25.5
89.02429	3.3
97.02953	10.5
99.00877	16.3
101.02400	1.6
103.00344	3.4
106.76387	0.8
111.00881	1.8
113.02470	2.7
115.04002	2.2
117.01923	1.3
118.25309	0.8
127.04012	2.6
128.04301	1.2
129.01939	35.9
129.05482	1.0
129.49954	0.9
130.02365	1.1
141.01953	3.1
147.02957	7.7
157.05040	1.5
159.02933	4.5
163.04031	1.3
165.04002	6.9
191.05595	9.3
201.04073	5.3
207.05098	4.2
209.06664	6.8
251.07698	44.4
251.97560	1.8
252.07918	1.3
254.46715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75922	1.5
55.01872	6.7
55.81904	1.4
57.03435	5.0
59.01379	100.0
63.39499	1.3
63.51279	1.2
67.01890	3.1
69.03461	8.0
70.17230	3.1
70.17587	3.5
71.01385	17.7
72.99303	5.6
73.02930	5.0
75.00885	7.4
78.95892	2.7
79.77959	1.4
83.01376	8.7
85.02953	14.2
87.00880	27.8
89.02444	5.4
97.02940	12.1
99.00852	13.3
101.02429	2.0
103.00364	3.8
103.21477	1.5
111.00838	1.7
113.02441	3.3
127.04059	2.0
129.01945	32.9
136.34583	1.5
141.01927	4.5
146.95204	4.2
147.02982	6.1
152.95906	1.5
157.06691	1.3
159.03029	2.9
162.04059	1.4
165.04059	5.8
173.24689	1.4
191.05638	9.2
193.10210	1.3
198.30962	1.3
201.04028	6.4
201.26254	1.4
207.05078	4.6
209.06734	4.1
251.07704	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
56.15137	0.4
59.01371	1.0
69.47620	2.1
69.48029	1.3
71.01379	6.5
78.66544	0.5
83.45826	0.5
88.04033	83.7
89.04353	0.8
91.05535	2.7
92.64510	0.4
93.71225	0.4
98.19875	0.6
109.94463	0.4
114.01966	4.7
114.22715	0.5
115.00365	15.3
117.03450	0.8
132.03018	100.0
133.03380	1.7
135.04489	5.2
136.14851	0.5
148.05339	1.3
151.69417	0.5
170.01875	0.5
206.08231	2.5
207.06567	1.2
232.06149	0.7
250.07179	25.9
251.07613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.056
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
57.91481	0.3
59.01375	0.3
69.29954	2.5
74.45129	0.3
85.75327	0.5
95.01373	0.7
103.05551	0.4
108.02170	3.1
111.00877	1.7
119.05019	1.7
123.00892	1.2
129.03403	0.5
133.02934	0.5
136.01683	2.2
136.44574	0.3
139.00359	1.5
145.02881	0.6
147.00861	1.4
147.04523	2.9
148.01659	100.0
149.01959	3.1
161.02428	0.7
162.03246	2.4
163.00357	2.9
163.03946	1.2
164.01144	67.4
165.01486	2.5
173.02371	0.6
174.03195	1.1
175.04010	2.1
176.01134	29.8
177.01549	1.6
190.02690	3.3
191.03474	1.5
192.00639	4.4
204.00615	2.1
205.01335	2.0
219.02979	2.8
221.04337	0.5
224.58049	0.4
251.05582	58.3
252.05896	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60707	0.4
56.59019	0.4
59.01382	1.1
70.41757	0.5
70.42113	1.3
71.01373	4.7
82.71149	0.4
84.82758	0.4
88.04034	74.0
89.04375	0.6
91.05537	2.9
100.08025	0.4
104.57622	0.5
114.01962	4.3
114.99560	0.8
115.00363	14.0
117.03502	0.4
132.03017	100.0
133.03323	1.8
134.06087	1.1
135.04507	4.3
148.05322	1.1
176.85950	0.4
184.27858	0.5
206.08205	3.0
207.06570	0.6
232.06163	0.4
250.07169	24.6
251.07491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
50.29641	0.1
57.03423	0.2
59.01369	0.3
61.98830	0.3
70.96481	0.3
70.96841	0.2
71.01373	1.8
79.95683	0.2
83.38713	0.2
98.88779	0.2
103.04005	0.6
108.79078	0.2
114.55791	0.2
115.44630	0.2
121.70682	0.2
157.05055	0.2
177.20543	0.2
184.00163	2.2
186.95572	0.4
200.75040	0.2
204.15321	0.2
205.15875	0.2
207.13989	0.2
220.17188	0.3
231.13902	0.5
247.17009	100.0
248.07996	2.5
248.17334	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
53.87862	1.1
57.83644	1.2
58.90491	1.2
59.01379	14.1
61.98821	4.0
68.04337	1.3
69.03453	27.0
69.46694	9.6
69.80138	1.4
71.01385	1.4
73.02936	2.3
83.05001	3.3
92.62241	1.3
93.03467	2.3
95.05005	3.0
97.06540	1.5
98.20669	2.7
107.94628	1.3
109.13984	1.2
109.38863	1.4
111.08121	1.4
117.03468	8.6
118.69581	1.4
121.02966	2.1
133.02946	2.4
134.07387	1.4
137.43629	1.2
147.49419	1.3
149.13408	1.8
161.02452	10.5
161.05952	2.2
161.13370	2.6
167.10793	2.3
177.01900	3.0
177.96680	1.8
179.10739	1.8
187.14940	2.9
191.10811	1.7
193.12334	5.7
203.14285	1.8
204.04245	10.5
205.01471	4.6
205.12302	6.7
205.15912	12.1
219.06612	5.6
221.15477	13.7
231.13890	30.5
232.14232	2.0
234.01788	2.0
249.00450	3.5
249.03880	2.0
249.07738	5.4
249.14940	100.0
250.14751	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	243.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70781	0.7
59.01358	2.6
61.98802	3.5
67.01864	3.0
69.03416	0.9
71.05019	0.8
71.54765	1.3
76.40887	0.8
77.88663	0.7
78.28886	0.7
83.05019	0.8
93.03464	0.9
99.92570	1.1
110.02463	1.2
111.00836	3.3
124.03962	0.9
143.04953	1.5
154.99794	1.1
167.14511	1.0
171.04488	2.3
173.05858	1.0
183.13872	8.1
185.06047	3.1
186.06821	1.3
187.07616	1.3
193.12325	2.3
193.51724	0.7
197.06078	0.9
197.15514	1.0
199.04010	1.3
199.07645	1.9
200.08455	1.5
211.13377	100.0
212.13721	5.6
213.05664	4.7
214.06367	4.6
214.68135	0.7
215.03465	0.9
215.10756	1.8
225.09262	0.9
229.08734	0.9
243.02924	2.1
243.06441	2.0
243.10231	33.5
243.12376	3.5
243.15901	2.7
244.10706	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	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.03422	1.3
58.02711	1.6
58.02975	23.3
59.01382	4.9
59.95737	1.0
70.02974	14.6
72.00891	4.7
72.04546	3.5
74.02472	100.0
75.02809	0.9
81.32737	0.9
91.32237	1.1
95.01398	1.1
98.02477	21.2
107.74932	1.0
108.04642	1.1
116.03548	27.9
116.05057	35.9
116.73458	1.1
118.07430	1.0
130.06592	4.2
141.40462	1.0
142.06602	7.0
146.03719	1.7
151.09711	0.9
158.03694	1.3
159.04482	4.0
159.09264	7.0
160.05296	1.0
161.71838	1.2
172.05241	3.5
173.02454	1.2
173.05989	5.1
174.03203	1.6
174.06799	1.7
175.04050	1.6
175.07599	1.9
186.05547	2.0
187.03983	2.3
187.07597	3.6
189.05511	1.4
189.09212	3.1
201.05530	4.0
201.09117	6.8
201.10503	4.0
203.08257	89.7
204.08322	3.8
215.06956	1.0
216.04280	2.4
216.07912	4.8
217.12247	4.2
245.00888	1.8
245.04465	6.5
245.09239	95.7
245.11783	39.1
246.09534	5.5
246.11855	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	243.1024
Annotation	Emmotin C
Peak:m/z	Relative Intensity
53.52492	0.4
57.03427	0.4
57.21809	0.4
59.01369	2.5
68.99809	0.4
69.03452	1.1
71.53948	0.5
88.04042	0.5
93.03476	0.5
97.06583	1.5
108.70778	0.4
109.02947	1.9
111.00882	0.5
117.03482	4.3
121.06623	0.6
137.26884	0.4
143.05032	1.2
143.08675	0.4
145.02943	10.9
146.03752	4.7
147.04486	0.5
155.10739	0.5
156.05815	0.9
157.06570	0.5
158.07307	0.5
159.04518	1.8
159.08113	0.8
160.05283	1.2
169.06564	0.5
171.04488	1.9
171.08105	2.0
172.05296	6.6
173.06076	2.0
173.09595	0.5
174.03275	0.5
174.06873	0.7
175.04024	0.5
175.07578	0.7
183.10213	1.5
184.05280	0.7
185.06073	15.7
185.07751	0.8
186.06830	9.3
187.03938	0.4
187.07629	11.5
187.11206	1.0
188.04739	0.5
189.05605	2.5
196.05278	7.4
196.07053	0.3
197.06047	2.3
197.09711	0.7
199.04012	5.6
199.07635	13.6
199.11404	1.0
199.13219	0.6
200.04726	1.3
200.08414	9.7
201.05540	0.5
201.09184	5.0
201.11295	3.6
202.06506	0.5
203.07104	0.5
204.04210	0.9
204.07915	4.0
207.08147	0.6
209.06099	3.7
210.06812	2.0
211.07681	0.5
212.04715	0.8
213.05562	11.8
213.09167	1.8
214.06332	33.2
214.09874	1.7
215.06984	1.7
215.10744	8.8
216.11272	0.7
223.07640	6.9
224.08385	2.3
225.09201	14.2
226.09854	1.0
227.07144	1.1
228.07858	5.3
229.08560	0.7
241.08638	1.6
243.10236	100.0
244.10623	5.9
258.85220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1025
Annotation	Emmotin C
Peak:m/z	Relative Intensity
57.03482	0.3
59.01405	0.7
64.94595	0.3
69.03486	1.0
71.05041	0.4
89.04035	0.3
93.03490	0.9
97.06615	0.9
98.19823	0.4
108.02234	0.3
109.02960	1.7
109.70091	0.3
117.03458	3.7
117.04187	0.3
121.02950	0.4
121.06673	0.4
124.07798	0.2
135.04546	0.6
143.04997	0.7
143.07097	0.3
145.02951	10.5
146.03746	3.2
156.05818	0.8
157.06602	0.5
159.04471	1.9
160.05286	1.0
161.06070	2.3
167.05098	0.4
169.06656	0.3
171.04552	1.1
171.08124	1.1
172.05289	6.1
173.06018	1.7
173.09752	0.3
174.03203	1.4
174.06870	0.8
175.03978	0.6
175.07643	0.9
181.10274	0.3
181.12346	0.5
183.04477	0.4
184.05307	1.2
185.06070	17.3
186.06850	9.8
187.04001	0.6
187.07637	10.8
187.11311	0.4
188.04782	0.9
188.08264	1.2
189.05550	4.7
189.09132	1.4
195.04478	0.4
196.05286	8.9
197.06041	1.4
197.09712	1.1
198.03235	0.6
198.06812	0.6
199.03990	6.4
199.07632	14.9
199.13364	2.4
200.04756	1.0
200.08398	8.6
201.05467	0.3
201.09213	2.9
201.11102	0.6
203.07161	1.0
204.07896	9.5
205.08183	0.4
207.08180	0.4
209.06078	3.9
210.06888	2.2
211.07605	0.6
212.04807	0.7
213.05562	10.7
213.08907	1.8
214.06346	38.4
214.09879	2.1
215.06740	2.1
215.10741	7.6
216.11101	0.4
223.07619	6.5
224.08400	2.3
225.09198	15.2
226.09637	0.9
227.07117	1.6
228.07895	5.8
232.07375	0.5
241.08635	2.2
242.09415	1.0
243.10233	100.0
244.10576	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	243.1023
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
59.01388	0.7
67.01889	0.3
69.03448	0.8
73.03780	0.2
89.14155	0.3
93.03487	0.9
93.31857	0.3
97.06567	0.4
98.19852	0.4
103.48242	0.2
109.02970	1.5
121.06689	0.2
133.02899	0.6
137.02390	0.3
138.06635	0.3
143.05008	0.4
143.07104	0.3
145.02954	0.5
145.06636	0.2
146.03737	0.8
147.04497	0.5
149.06088	0.4
153.99097	2.1
156.05821	0.5
157.06618	0.5
158.03674	0.6
159.04562	1.4
159.08145	0.3
160.05292	0.9
161.02502	0.5
161.06071	1.8
167.04929	0.3
169.01442	1.6
169.06679	0.3
171.04509	0.8
171.08139	0.7
172.05295	5.9
172.06734	0.4
173.06079	1.9
174.03220	0.8
174.06825	0.4
175.03947	0.4
175.07663	0.9
179.08669	0.3
179.96957	0.5
183.04459	0.5
184.05272	0.8
185.06067	15.0
186.06850	13.1
187.03983	0.6
187.07642	9.8
188.04776	1.1
188.08253	0.8
189.05562	5.1
189.09218	1.1
194.99309	2.5
195.04436	0.5
196.05298	6.8
197.05951	0.9
197.09737	0.7
198.03217	0.5
198.06865	0.5
199.04007	6.7
199.07639	15.1
200.04659	0.9
200.08397	8.5
201.09164	2.9
201.11365	0.8
203.07143	0.6
204.04285	0.4
204.07910	8.3
206.94804	0.3
207.08092	0.4
209.06055	3.8
210.06871	2.7
211.07404	0.6
212.04753	1.0
213.00414	4.8
213.05562	10.7
213.08890	1.5
214.06349	41.5
214.09891	2.8
215.06778	3.2
215.10765	6.6
218.05847	1.1
223.07629	5.9
223.09692	0.5
224.08414	2.2
225.09218	15.7
226.09616	0.8
227.07181	1.6
228.02779	4.4
228.07903	6.5
232.07478	0.6
241.08638	1.5
242.05836	0.4
242.09398	0.7
243.05064	2.6
243.10245	100.0
244.10568	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
59.01359	4.0
61.98829	18.0
67.01875	6.8
68.99818	1.7
69.03456	37.4
69.90368	6.6
71.80521	1.4
79.01879	18.7
80.71059	1.3
81.03482	2.3
83.01392	3.0
85.02938	6.3
93.03453	2.2
95.01392	15.1
97.02946	20.8
99.92587	16.4
107.01395	21.0
108.02171	91.3
109.02952	32.0
109.63039	1.7
110.02485	2.1
111.00887	7.4
113.02483	2.1
115.92086	2.3
121.02955	24.7
123.00880	18.6
125.02438	32.4
135.00879	68.0
136.01161	1.5
137.02443	43.3
143.05037	1.7
147.97302	1.5
151.00328	3.8
152.01143	100.0
153.01494	1.9
154.99841	3.5
159.04379	2.1
163.36067	2.0
165.12804	3.3
167.13452	5.3
169.06554	5.0
197.06065	51.0
198.06384	2.2
199.04033	2.0
199.07564	2.2
213.05548	10.5
214.06296	5.8
215.07143	9.5
225.11258	2.3
225.14873	2.4
233.15555	1.6
243.02910	4.3
243.06578	61.3
243.10255	7.2
243.12360	6.6
243.15886	7.6
243.19669	3.6
243.89932	2.9
244.06880	3.7
252.03767	1.7
258.76157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57799	0.4
59.01369	1.7
61.98833	2.8
68.69684	0.4
69.33074	0.4
70.03002	1.1
71.01385	6.6
71.22766	1.1
76.43919	0.4
88.04040	100.0
89.04388	1.1
96.99297	1.8
114.01971	7.7
115.00370	14.4
117.03459	0.8
126.09264	1.9
127.07647	9.7
132.03026	69.0
133.03386	1.4
145.02963	3.2
146.03703	1.3
172.05252	1.0
185.06122	2.9
186.06853	1.3
187.07652	1.9
196.05307	1.4
198.11368	3.8
199.04077	0.8
199.07660	3.1
200.08421	1.4
201.11253	0.9
204.07863	0.7
209.06139	1.1
213.05559	1.4
213.09149	0.5
214.06323	6.8
214.09579	0.5
215.10712	1.2
223.07710	1.2
224.09200	0.8
225.09215	3.8
227.07156	0.4
228.07944	1.0
242.10341	34.2
243.10266	18.8
243.15961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01362	4.0
66.03485	11.8
68.01384	2.9
68.99514	1.4
69.67930	6.1
70.16924	1.2
71.01373	3.2
72.04532	2.5
82.02978	31.8
83.01383	1.9
83.03304	3.5
86.72929	1.3
94.02952	2.0
94.12477	1.3
96.04533	2.1
97.02942	1.4
99.00884	2.2
100.04045	1.4
101.02434	1.7
108.04551	2.7
110.02476	100.0
111.00879	1.7
111.01980	7.1
111.02737	2.5
112.98811	6.4
115.91190	1.2
117.01956	1.4
119.89956	1.3
122.02448	7.7
124.03997	1.9
127.05099	1.4
140.03551	9.2
142.99876	2.4
152.03525	17.8
153.03008	12.7
165.70491	1.4
173.00879	4.1
183.01520	1.7
191.72311	1.4
200.05632	41.7
205.03531	2.4
210.98082	1.6
213.28830	1.6
243.06192	40.2
243.09659	2.6
244.06349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2016
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
57.03442	0.7
59.01374	33.2
61.98821	1.9
71.01371	1.9
73.73303	0.6
75.00878	0.7
79.01900	0.8
80.80919	0.8
81.78338	0.6
83.01390	1.2
87.00887	5.4
91.99004	0.7
95.01382	1.6
99.00876	2.4
101.02432	0.9
108.00905	1.0
114.15905	0.7
115.52460	0.6
117.01933	0.9
121.03006	0.7
123.00877	2.5
123.04522	1.0
125.02430	1.6
127.00376	0.9
134.21712	0.6
137.09718	3.9
151.00417	1.1
151.03955	0.7
159.03000	0.7
161.04561	6.0
179.05605	30.4
180.05945	0.8
185.46175	0.7
194.99298	1.0
195.13885	3.2
207.04138	4.4
207.63828	0.8
221.19131	0.9
223.02768	3.2
230.77605	0.6
239.06747	22.4
239.12994	6.3
239.20146	100.0
240.04584	0.8
240.07002	1.0
240.20483	4.6
250.13339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.82913	0.6
57.03441	1.5
59.01384	1.6
61.98840	2.2
68.28497	0.7
69.03454	2.7
71.05013	5.8
71.54705	1.0
72.06973	0.6
81.03474	0.6
82.44305	0.9
83.05032	2.5
97.06561	0.9
119.34455	0.6
123.08078	0.9
125.09709	1.8
150.10213	0.7
151.11292	1.3
153.12828	4.2
161.09756	1.0
170.34651	0.8
179.10780	6.9
197.05977	3.5
197.11816	100.0
198.12183	4.0
211.04126	0.9
213.09151	1.6
223.09685	2.7
241.05602	3.2
241.08778	4.2
241.10797	96.3
241.14653	2.5
241.21741	1.4
242.11237	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	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57773	0.3
57.03444	1.5
61.54684	0.4
61.98830	1.8
70.55260	0.8
71.05016	0.7
77.32651	0.4
81.03456	1.1
83.05024	3.9
95.05024	1.7
97.06585	10.8
106.38328	0.4
109.06580	0.8
111.07389	0.5
111.08156	10.0
137.09761	0.6
138.86121	0.4
147.11760	1.3
149.09694	0.8
154.47066	0.4
154.91890	0.5
163.11276	3.3
165.12837	100.0
166.13188	4.7
184.23488	0.4
197.15460	24.5
198.15820	1.1
209.11816	3.5
241.14554	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	239.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01378	27.5
61.98829	1.6
65.00330	0.8
67.46730	0.6
68.66013	0.6
71.01382	1.9
71.53051	0.7
71.53435	0.7
74.99076	11.4
75.96226	0.7
77.73038	0.5
79.01894	1.4
83.01390	1.0
85.02977	1.9
87.00871	5.8
91.02210	8.7
93.00150	3.2
95.01403	2.0
97.02984	0.8
99.00910	1.8
107.01394	0.7
113.02387	0.7
117.01942	1.1
123.00913	2.8
125.02517	0.9
125.87976	0.7
137.09721	2.9
149.00929	5.2
151.00368	2.2
151.04079	0.8
151.07668	0.8
154.99834	0.9
161.04567	5.0
166.99861	0.9
177.04184	0.8
179.05603	28.3
180.05994	1.2
195.13902	2.9
206.99670	3.0
207.04164	3.5
223.02817	100.0
224.02823	11.0
239.06749	18.6
239.12633	7.3
239.20143	35.5
240.04216	0.8
240.20531	2.4
241.03795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.056
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01368	1.2
70.83021	1.5
70.83370	1.2
72.02277	0.8
72.71302	0.8
75.33401	0.8
87.00874	9.3
91.01889	1.8
92.39534	0.7
93.03468	2.1
106.04241	4.7
107.05030	22.6
108.02173	2.8
108.05362	0.9
121.02936	5.0
127.95773	0.8
131.04951	1.1
132.82285	0.8
133.06589	11.8
134.03719	1.4
135.04503	3.7
147.04556	1.3
149.06065	35.7
150.03189	2.0
150.06442	1.8
163.04066	0.9
175.27954	0.8
177.05557	40.0
178.05832	1.4
179.03487	69.3
180.03810	2.3
195.06639	5.6
209.94644	0.9
221.04570	3.6
239.05591	100.0
240.05954	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	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.12063	0.4
59.01378	4.7
66.62245	0.4
68.45531	0.5
69.71591	2.5
83.52415	0.4
84.49098	0.4
87.00894	0.7
87.03586	0.5
88.02258	0.4
95.05022	1.0
101.06077	7.3
109.06583	5.1
111.08154	5.4
130.95383	0.4
138.06847	1.0
139.04004	12.2
154.06348	31.7
155.06706	1.2
158.76631	0.5
159.03003	0.4
161.04558	0.7
165.16142	0.4
167.14420	9.5
168.14876	0.5
176.90157	0.4
179.05618	3.9
179.10762	5.1
182.05815	3.5
185.15416	0.4
195.13887	100.0
196.14249	4.8
201.66684	0.4
239.12872	9.7
240.13138	0.6
249.60060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.4
69.20290	1.3
69.20701	3.9
85.02938	0.6
87.00877	0.9
87.04526	3.2
88.73699	0.5
89.06080	87.8
90.06392	1.4
93.03428	0.8
96.96017	1.6
108.02216	0.6
109.02973	0.5
119.01396	0.5
121.02953	100.0
122.03289	2.2
123.04488	0.7
133.05049	1.0
147.00845	0.7
147.04517	1.6
148.05280	1.7
149.06070	23.0
149.72427	0.6
150.06348	1.2
163.00403	3.1
165.01979	0.8
175.04007	1.5
186.06383	0.5
190.99829	2.5
193.05040	9.2
218.99332	7.6
237.00470	1.0
237.03912	2.1
237.07678	30.2
237.11377	1.1
238.08046	1.8
243.24013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
51.50365	1.1
57.52644	1.1
59.01377	39.4
61.98828	4.6
65.03964	1.3
68.05836	1.2
68.99797	1.1
69.03458	16.2
71.01382	3.8
71.13506	1.9
71.13835	1.8
85.02940	1.9
87.00881	1.8
87.04536	1.4
88.57008	1.2
89.06057	1.4
90.17657	1.2
91.01858	1.7
93.03467	2.0
95.55579	1.1
96.95995	4.1
97.05977	2.5
97.06590	43.3
98.06898	1.5
101.02421	2.6
109.02909	1.6
111.08152	1.7
121.02950	3.8
121.10210	6.4
123.00851	1.4
123.08167	47.7
129.01877	2.1
139.07661	8.1
147.00859	2.4
147.04509	1.4
147.11809	8.3
148.05284	3.4
149.02405	1.9
149.06065	31.5
150.06358	2.3
163.00360	12.9
165.01987	1.7
167.07135	7.9
175.14902	5.4
179.10774	4.7
190.99898	6.4
193.05046	12.0
193.08575	1.4
193.15938	4.4
196.20818	1.3
218.99323	28.2
219.13870	5.7
237.00475	3.4
237.03978	3.1
237.07713	2.3
237.11369	4.4
237.14938	100.0
238.15216	4.0
239.97978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53130	0.5
71.01379	19.3
77.03984	0.6
88.42229	0.4
99.45623	0.4
115.00365	9.4
121.02954	100.0
122.03305	3.3
133.33069	0.4
149.06099	3.3
155.75983	0.5
167.45395	0.3
177.01833	0.4
189.98235	0.4
190.99744	0.5
193.05017	1.2
218.99237	0.9
237.04076	1.0
256.35831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0615
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
52.43043	0.4
55.08044	0.4
57.03450	1.8
59.01376	2.4
61.67683	0.3
66.95404	0.4
70.84402	0.3
71.01400	2.1
71.51781	0.5
72.99322	2.0
73.02935	0.5
75.00877	3.7
78.95878	1.0
82.41831	0.4
85.02953	3.0
87.00874	100.0
88.01194	0.9
89.02435	0.7
97.02924	0.6
101.02423	0.9
111.00789	0.5
129.01941	13.7
130.02246	0.4
147.03015	0.7
167.70897	0.4
193.45747	0.4
237.06142	8.9
238.06581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0766
Annotation	2,3,5-Trimethoxy-6-(1E)-1-propenyl-2,5-cyclohexadiene-1,4-dione
Peak:m/z	Relative Intensity
54.83849	0.5
57.03439	1.7
59.01380	1.8
69.48911	4.1
71.01374	1.9
73.02941	46.1
79.83086	0.5
85.02927	0.8
87.00880	0.8
87.04509	61.9
88.04863	0.8
89.06077	100.0
90.06407	1.5
91.01876	0.6
93.03450	1.4
95.01402	0.6
96.96011	1.3
100.05219	0.5
101.56090	0.5
108.02150	0.9
119.04994	0.6
121.02947	73.6
121.06607	0.9
122.03243	1.5
123.04514	0.8
131.05055	0.8
133.02927	1.2
133.05083	1.8
137.09708	2.1
147.04503	1.2
148.05261	1.8
149.02412	0.6
149.06064	28.4
150.06404	1.0
163.00337	6.0
165.01927	0.9
175.04062	0.8
175.97545	0.7
177.01860	2.9
177.05539	1.2
190.99808	3.4
193.05037	11.3
195.06546	1.7
205.01408	9.4
218.99327	11.4
236.03316	0.6
237.00400	1.8
237.04080	3.6
237.07651	41.0
237.11386	1.4
238.08015	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	237.0403
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
59.01365	0.3
80.95169	0.2
85.02937	0.2
87.04513	0.2
91.01884	0.2
93.03423	0.3
96.06538	0.2
99.02290	0.2
108.02158	0.4
109.02921	0.2
117.57706	0.2
117.95901	0.2
119.05005	1.4
121.02955	1.0
122.03754	0.3
123.04513	3.0
130.04195	0.2
131.05028	0.6
145.02966	0.4
146.03741	0.4
147.04509	3.3
148.05286	1.0
149.02420	0.9
149.06070	8.8
150.06403	0.5
157.02951	0.3
158.03738	0.4
163.00360	0.8
165.01913	0.2
165.05540	0.5
173.02455	0.2
174.03198	3.7
175.03981	100.0
176.04343	3.9
177.01912	10.7
178.02261	0.3
190.99791	0.9
193.05037	5.5
218.99339	2.4
219.02858	1.8
237.04008	42.5
238.04341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
52.83928	0.5
58.57285	0.5
69.66520	0.6
69.92754	2.6
87.00876	9.6
89.53909	0.5
101.99359	0.5
106.04252	1.2
108.02156	2.6
109.02931	2.4
118.00607	0.5
119.05013	0.8
120.99772	0.5
121.02956	0.6
121.06590	1.5
122.03719	1.5
123.04541	1.9
129.01962	1.4
131.05013	2.6
134.03780	0.6
137.02451	0.6
139.89754	0.5
147.04494	6.2
148.05290	9.6
148.90048	0.4
148.91385	0.5
149.06068	100.0
150.06421	3.6
162.96815	0.5
168.26244	0.5
175.04057	0.7
193.05038	44.0
194.05368	2.1
237.04021	9.1
237.06129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
69.68908	1.9
71.01369	2.4
75.42416	0.4
85.02950	0.4
92.66473	0.4
94.49474	0.4
103.05532	0.7
105.07076	0.4
106.04228	0.9
108.02158	2.5
109.02950	2.2
115.00377	1.3
119.05024	0.5
120.52796	0.3
121.02953	14.0
121.06547	1.7
122.03731	1.5
123.04517	1.8
130.04222	0.5
131.05034	2.5
134.03754	1.0
139.29758	0.4
139.30954	0.4
147.04510	5.9
148.05301	7.9
149.06071	100.0
150.06424	3.8
157.34186	0.3
164.30193	0.4
193.05052	40.9
194.05418	1.6
197.08612	0.4
218.99391	1.3
237.04028	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.16837	0.2
61.98817	0.9
66.50338	0.2
70.91187	0.2
70.91500	0.3
111.04593	0.2
121.02976	0.3
134.03712	0.4
135.04462	0.3
136.05351	0.3
147.04507	0.2
148.05301	6.6
149.06076	0.9
149.09705	0.8
150.58580	0.2
162.06786	0.2
163.00363	0.3
163.07596	0.2
167.70874	0.2
175.07533	0.2
176.08397	0.5
177.09200	34.7
178.09569	1.6
190.10004	1.4
190.99966	0.3
191.10757	0.5
192.11549	28.3
193.05112	0.2
193.11966	1.2
201.09186	0.6
203.07074	0.6
206.09442	0.2
217.08691	2.4
218.09464	7.4
218.99290	0.7
219.09799	0.5
221.07832	0.2
236.10529	100.0
237.10896	4.9
237.14691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0246
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
55.48224	1.3
59.01387	19.4
61.98836	8.8
63.14257	1.3
69.03455	1.9
70.36032	4.0
70.36369	1.4
71.01369	2.9
72.99299	1.7
73.02954	2.7
74.02460	8.1
74.24834	1.3
75.00864	1.8
77.30029	1.5
83.01398	1.3
85.02970	1.8
87.00890	2.9
88.04041	1.6
91.05537	3.2
95.05026	2.4
99.00886	1.8
101.02441	2.9
101.03974	3.0
103.04035	1.5
103.05577	2.3
105.03454	2.5
108.04562	17.7
116.03522	4.1
117.03477	2.4
119.05014	9.6
122.09000	1.3
124.01663	1.6
125.02440	4.5
129.03462	6.4
130.04222	1.8
133.02951	2.8
139.24265	1.5
145.02953	100.0
146.03737	69.7
147.04521	66.1
148.04871	1.8
161.02451	6.7
173.02531	1.9
174.05617	1.6
175.06261	1.5
191.03496	11.7
192.06644	2.5
193.07198	1.5
217.01360	2.1
217.40913	1.4
235.02541	4.4
235.04623	1.5
235.08160	2.7
235.11909	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	235.0247
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
55.17717	0.7
59.01355	1.2
69.75097	3.1
91.05547	2.1
93.94074	0.8
98.19938	0.8
101.03987	2.7
102.82674	0.8
105.03444	2.4
117.03489	4.1
119.05024	7.7
125.02442	2.4
128.05186	0.7
129.02600	1.2
129.03471	9.1
130.04234	1.6
133.02972	3.0
145.02956	100.0
146.03746	68.0
147.04532	55.7
148.04877	2.5
150.11563	0.7
161.02437	5.5
178.32043	0.8
191.03505	7.7
196.00755	0.7
224.31578	0.7
235.02512	3.3
238.47783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	14.4
80.77246	0.7
80.96488	0.7
85.02945	4.5
87.00880	2.5
88.37988	0.7
98.20654	2.0
108.02161	0.9
111.00874	2.1
114.63003	1.0
115.00362	28.9
119.05005	1.4
120.04546	100.0
121.02953	27.5
121.04829	3.7
128.01146	1.4
129.01962	3.8
130.06590	0.9
131.04994	1.8
146.06079	1.5
147.04478	3.2
148.05142	2.6
148.07672	11.6
149.02406	0.9
149.06076	25.5
164.07132	3.4
168.26402	0.8
174.05576	15.1
175.03996	1.0
183.25534	0.8
192.04021	1.4
192.06647	35.8
193.05025	7.9
193.06827	1.7
218.04613	5.3
218.99281	3.0
221.31235	0.8
229.32762	0.8
236.03207	2.3
236.05615	60.0
237.04033	2.6
237.06033	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	233.009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
65.03954	0.3
69.18346	0.3
69.23672	2.5
78.09307	0.3
89.03967	9.0
91.01898	0.5
92.77560	0.3
93.03462	0.4
93.29249	0.3
95.05044	0.4
105.03448	1.9
117.03504	0.4
123.04552	0.9
132.02170	1.5
133.02916	2.8
136.91443	0.3
160.01657	8.1
161.02432	100.0
162.02766	3.7
189.01920	42.0
190.02264	1.7
207.03009	1.8
233.00900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03450	18.0
57.12509	1.7
59.01377	100.0
60.99309	2.2
67.01885	6.1
68.99815	4.1
71.01380	65.0
71.52625	2.2
72.99323	3.0
73.02942	16.7
83.01387	15.7
85.02953	14.9
87.00881	4.5
89.02552	1.8
89.03973	8.8
91.68720	1.9
93.03452	4.3
96.96929	2.3
99.00874	39.7
101.02446	7.1
111.00882	25.0
111.93907	1.9
115.04049	2.4
117.03482	7.3
117.05574	3.2
129.01944	35.5
132.99673	2.4
145.02968	13.5
147.06625	3.2
147.96027	1.8
160.01703	5.6
161.02434	74.4
162.02739	2.4
171.10283	2.2
173.00922	5.4
173.04556	3.7
173.08134	5.5
189.01938	27.4
190.02205	1.9
233.06555	2.8
233.10295	16.0
233.15372	10.1
234.09677	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54930	0.2
59.01377	6.7
59.96726	0.4
60.97510	0.3
67.01901	0.4
69.31002	0.8
69.31416	1.1
74.99062	7.7
78.16705	0.2
91.02216	0.7
93.00134	1.6
93.03449	1.5
98.19836	0.5
106.27219	0.3
118.96239	1.3
134.99390	6.8
135.99484	0.2
136.97307	1.1
141.07428	0.6
143.05353	1.3
149.00949	67.4
150.00914	2.8
150.98889	1.0
157.41489	0.3
159.08412	2.0
161.02467	1.9
161.06383	3.5
167.01900	0.3
173.04565	1.7
189.01855	1.1
201.04018	0.3
215.05630	1.5
217.07187	90.5
218.07294	5.2
230.02625	0.2
233.10316	100.0
234.10477	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	233.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
69.77104	1.4
69.77514	0.5
72.78344	0.3
83.52917	0.4
89.03963	7.6
93.03453	1.0
98.19958	0.5
105.03442	2.0
117.03477	1.0
123.04530	0.8
132.02141	1.3
133.02925	2.0
155.07768	0.4
157.08884	0.3
160.01651	7.6
161.02429	100.0
162.02766	4.0
171.46989	0.3
173.04507	0.5
189.01918	40.3
190.02327	1.4
198.49736	0.3
205.01401	0.5
207.03003	1.8
227.03564	0.4
233.00882	2.2
233.04483	0.5
233.15453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01277	0.2
59.01375	4.2
65.03965	0.5
69.80242	1.3
89.03967	8.5
93.03471	0.8
105.03465	1.7
114.59173	0.2
117.03440	0.6
123.04516	1.0
131.47429	0.2
132.02164	1.1
133.02960	2.3
143.01366	0.3
152.18999	0.2
160.01646	7.7
161.02429	100.0
162.02771	3.9
173.04506	0.8
189.01918	38.4
190.02284	1.4
207.03006	1.7
233.00969	1.6
233.15451	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	233.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92031	0.2
55.65990	0.3
59.01379	10.4
65.03974	0.5
67.01884	0.6
69.37933	1.4
69.38340	0.6
70.95434	0.3
71.01390	0.6
88.76000	0.3
89.03972	7.4
93.03454	2.2
95.05037	0.3
98.20737	0.3
105.03464	2.0
113.96260	0.3
117.03485	0.8
123.04536	0.5
132.02159	1.3
133.02962	2.8
133.16479	0.3
143.01358	0.3
160.00313	0.4
160.01662	8.3
161.02438	100.0
162.02776	4.0
173.04565	2.1
173.66983	0.3
189.01926	40.3
190.02339	1.5
205.08658	0.6
207.02977	1.8
233.00877	2.1
233.08214	0.8
233.11923	0.5
233.15457	5.9
238.81660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01800	0.5
57.92664	0.6
58.05671	0.5
59.01379	6.8
69.20495	5.8
70.02975	49.6
71.01386	1.1
71.94980	0.5
73.58016	0.5
89.03974	2.0
91.05531	6.6
93.03450	1.2
96.99306	9.1
114.01966	100.0
115.02317	1.5
117.03462	25.8
117.07150	0.8
118.03780	0.7
118.06615	1.2
133.03062	0.7
134.06114	21.3
139.30768	0.6
143.26425	0.6
144.08214	1.9
146.06119	5.4
159.04489	1.6
160.01622	2.2
160.04825	3.1
160.07654	3.4
161.02431	19.4
173.04581	1.8
176.04366	0.6
188.07124	7.2
189.01929	9.0
189.09128	1.5
190.09552	4.6
207.20436	0.6
232.06088	1.8
232.10600	6.3
233.01003	1.1
233.15466	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	233.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03437	2.5
59.01376	17.1
67.01883	0.6
69.46320	2.0
69.46738	1.2
71.01377	7.1
71.05004	0.4
72.99319	0.6
73.02947	0.9
77.96871	0.3
78.95914	0.6
83.01376	1.7
84.85518	0.4
85.02937	1.8
87.00837	0.9
89.03966	7.7
93.03455	0.7
96.96007	2.7
96.96980	0.8
98.19955	0.9
99.00875	5.7
101.02389	0.6
105.03436	1.9
111.00893	3.8
117.03465	1.2
123.04495	0.7
129.01950	4.4
129.05577	1.0
132.02199	1.5
132.99657	0.6
133.02956	2.8
145.02965	2.3
147.06625	5.1
148.07019	0.4
160.01651	7.9
161.02431	100.0
162.02783	3.1
173.00883	1.3
173.04424	0.6
173.08162	0.7
189.01917	37.1
190.02254	1.9
207.03023	1.9
210.79401	0.5
215.09280	1.0
233.00906	1.7
233.10229	2.4
233.15506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06700	0.7
54.16933	0.8
55.62766	0.7
59.01371	1.7
69.18433	0.8
70.44765	0.8
70.45072	2.2
71.01359	0.9
72.99328	1.1
76.06972	0.8
78.95914	1.1
81.03465	4.5
83.05023	11.5
86.02457	1.4
87.00874	100.0
88.01200	4.5
95.05045	1.1
96.04556	2.4
96.96011	0.9
96.96956	1.3
98.20507	1.0
106.10673	0.9
108.04578	1.5
109.02989	1.7
111.04510	2.8
115.00381	1.0
115.05061	1.0
124.07683	2.1
124.36937	0.8
127.03992	2.8
155.03456	1.0
168.06642	7.5
199.02495	4.4
230.06706	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	231.1025
Annotation	Encecalin
Peak:m/z	Relative Intensity
59.01378	0.4
59.70262	0.3
63.33182	0.4
70.02965	1.9
92.48888	0.3
96.99329	0.6
113.06081	0.5
114.01978	4.3
117.03463	1.5
123.04516	0.8
134.06133	1.1
135.03052	0.3
146.03709	2.6
147.04572	1.8
149.02385	0.4
149.06064	0.6
157.02962	0.4
159.04509	71.0
160.05176	4.0
161.02431	0.9
162.03288	0.3
173.02559	0.4
173.06052	2.2
174.03227	2.5
174.06842	5.3
175.04005	9.1
175.07286	0.4
176.04700	0.6
187.04004	1.3
187.05807	0.3
187.07658	1.9
188.04729	0.9
189.09206	82.7
190.09496	3.7
201.05522	1.3
202.06346	0.7
203.10805	0.5
213.09114	1.6
216.04442	0.7
229.08781	0.9
231.02965	1.5
231.06528	3.1
231.10248	100.0
232.10587	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	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62912	0.3
53.44614	0.3
59.01395	0.4
62.49184	0.3
67.01876	0.3
69.20671	3.1
71.05011	0.8
73.26404	0.3
79.24629	0.3
80.02677	1.8
81.03448	2.0
83.01381	0.3
83.05020	7.2
84.02155	3.7
91.23808	0.3
95.05013	0.8
97.06592	0.5
98.19819	0.7
109.06546	0.5
111.08186	0.4
116.58567	0.3
125.06084	1.0
125.09748	0.4
127.11250	0.4
135.08189	0.9
163.11272	5.3
165.12857	4.3
181.12318	1.2
183.13855	1.2
191.10791	1.6
199.13356	0.5
209.11803	100.0
210.12144	4.7
227.07037	0.9
227.10747	0.5
227.12799	4.5
227.20195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0877
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
58.30297	0.5
59.01369	2.1
60.65130	0.5
62.15317	0.4
65.82930	0.5
68.92669	0.5
70.02978	1.5
71.01382	7.3
88.04038	100.0
89.04399	1.5
93.03484	0.7
95.05061	0.6
96.99298	1.4
98.20700	0.7
101.80296	0.5
112.07671	2.6
113.06082	10.3
114.01967	9.0
115.00371	14.6
130.20148	0.5
132.03024	67.5
133.03339	0.9
162.22456	0.4
173.04463	0.6
184.09784	4.8
185.09892	0.5
187.09679	0.5
197.16072	0.5
199.40871	0.5
210.07727	1.4
211.04015	0.6
224.10306	0.5
228.08755	26.5
229.04929	1.2
229.08940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.92628	0.4
57.03424	0.5
62.84007	0.4
71.54233	0.7
73.50781	0.3
104.26575	0.3
130.98846	0.4
155.86273	0.4
165.12833	0.8
167.14401	37.4
168.14702	1.6
178.92288	0.4
181.22163	0.4
185.15450	1.2
190.03178	0.5
190.21263	0.4
211.13379	60.6
212.13719	2.3
229.08762	2.2
229.14429	100.0
230.14780	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	230.0126
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01372	3.8
61.98833	1.1
66.03476	0.9
69.03496	1.0
70.65165	1.8
70.99596	0.9
71.01383	1.3
72.99299	1.7
73.01162	6.2
73.04063	1.2
80.05048	2.1
81.03455	0.9
82.02977	7.0
83.05016	1.1
85.02956	0.8
87.00869	4.1
87.04517	1.1
96.04543	32.7
97.06531	1.0
98.02458	2.1
98.99107	5.2
99.02715	0.8
100.07658	1.1
107.05005	1.9
108.04550	29.3
109.04842	0.9
111.04482	0.9
114.00184	92.6
114.05592	1.3
114.36849	0.9
115.00574	1.9
115.03979	0.8
130.08745	4.6
132.03040	1.1
142.03308	100.0
142.08696	1.1
143.03665	1.0
151.03987	4.0
156.10266	1.0
169.08563	1.0
177.59569	1.0
185.48007	0.9
186.02281	44.1
186.11327	2.0
187.02574	1.4
187.11041	3.8
188.09273	3.0
230.01244	98.4
230.10153	6.1
230.99512	1.9
231.01573	2.3
231.08742	3.1
231.13452	1.0
250.11349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03456	0.5
58.00306	0.1
59.01361	0.1
63.28394	0.1
64.04702	0.1
69.03446	0.3
69.74472	0.1
71.14310	0.3
76.39104	0.1
77.37984	0.1
83.05004	0.2
111.08136	1.2
165.12831	20.3
166.13177	1.0
181.12386	0.2
183.13882	100.0
184.14232	4.8
184.20259	0.1
191.10732	0.3
209.11838	1.6
227.12863	22.7
228.13181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46760	0.4
56.83797	0.3
59.01382	0.6
62.81930	0.3
71.05032	0.5
80.02682	2.1
81.03455	1.6
81.66572	0.4
82.47742	0.4
83.05025	6.4
84.02162	3.5
95.05006	0.5
125.06071	1.0
125.09695	0.5
128.53967	0.4
135.08128	1.2
139.11325	0.5
163.11282	6.2
165.12856	4.5
178.31622	0.4
181.12340	1.1
183.00410	0.5
183.13908	3.2
191.10751	1.6
199.04036	0.5
199.13368	0.7
209.11815	100.0
210.12161	4.4
227.03510	1.9
227.07146	0.6
227.10699	1.0
227.12799	4.7
227.16478	0.8
227.20168	1.4
229.37918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.50035	0.5
57.03448	1.1
57.62323	0.5
59.01378	100.0
59.90054	0.5
60.01719	1.1
60.82956	0.5
62.78375	0.4
69.03450	0.5
70.22725	1.1
79.95743	1.0
81.03445	1.1
93.03465	3.8
95.05037	0.6
96.96010	0.6
97.06590	4.4
98.56379	0.5
123.08159	0.7
132.76013	0.6
134.03767	0.7
135.08200	1.6
137.02438	1.3
138.01997	0.8
147.08167	2.6
149.06128	0.7
160.95738	1.2
163.11295	0.7
165.09236	2.2
174.87555	0.8
179.08696	0.8
181.12366	0.8
195.02992	1.2
196.05287	13.7
197.05917	0.7
197.09726	1.5
206.07457	0.6
207.08185	1.3
207.10187	0.7
209.06065	22.3
210.06624	4.6
223.07637	32.6
224.08372	13.1
224.91937	3.4
225.00536	1.3
225.05560	1.7
225.09227	36.4
225.11385	43.6
226.09555	2.1
226.11742	3.3
239.07227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
61.39846	0.5
61.98814	0.8
68.99821	0.8
70.89161	0.5
71.54222	0.7
85.84757	0.5
95.01388	1.3
99.00865	0.8
99.92583	1.8
107.62247	0.5
108.02160	0.6
111.00900	1.2
111.08195	1.0
127.00368	0.6
135.00252	0.5
136.01675	0.7
139.00398	0.7
139.11285	0.9
143.04991	1.5
154.99889	0.7
155.05063	0.7
165.12831	20.0
166.13153	0.6
169.61337	0.6
171.04501	0.6
175.06960	0.5
183.13881	100.0
184.14238	4.3
192.42644	0.4
199.03906	1.2
209.11754	3.4
210.73737	0.5
226.76913	0.5
226.83040	0.8
227.03369	3.7
227.07152	1.5
227.12866	24.4
227.16252	2.7
227.20088	2.8
228.03651	0.5
228.13239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
58.00591	2.8
59.01379	56.2
71.01378	30.0
71.52382	1.6
72.37231	1.3
72.99301	5.9
73.02942	100.0
74.03281	2.4
75.00860	4.1
83.01389	2.8
85.02942	6.0
89.02438	31.1
91.04001	64.0
99.00880	2.4
101.02441	20.4
111.00952	1.2
113.02460	3.4
119.04931	1.4
125.02436	1.9
129.01941	3.4
131.02544	2.3
131.03499	36.2
131.16862	1.4
132.03854	1.7
133.01430	3.0
149.04539	2.1
188.10143	1.5
205.03575	1.5
221.47641	1.5
223.02705	2.6
223.04968	7.6
223.08211	96.0
224.08727	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	225.1131
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03450	0.9
59.01378	11.2
62.48593	1.0
69.03447	2.0
71.04981	1.0
71.54243	0.9
80.02670	2.9
81.03448	6.5
83.05017	6.1
84.02155	4.0
93.03445	9.3
95.05029	0.9
95.24908	0.8
97.02937	9.9
99.00883	2.0
99.64445	0.8
104.93216	1.1
106.04230	1.3
107.05046	1.7
109.02895	1.8
109.06588	68.4
110.03739	5.1
110.06913	2.4
121.06551	4.5
123.04514	0.9
126.90421	1.2
135.08160	6.7
136.05263	2.5
137.02399	2.5
142.02728	5.5
161.09691	2.2
163.11278	33.3
164.11528	1.8
181.01405	1.1
181.12346	16.0
185.48236	0.9
189.09286	1.5
195.06647	1.1
196.05247	3.2
197.11873	1.4
207.10251	100.0
208.10623	5.1
210.06863	1.9
223.07384	1.1
224.90677	1.6
225.00359	4.9
225.05614	1.9
225.09187	6.6
225.11287	73.7
225.14905	2.5
226.11707	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	223.1338
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.56892	1.0
57.03444	1.6
57.53181	1.0
59.01378	6.2
69.03456	6.0
70.91391	1.5
70.91717	1.5
71.01372	1.2
71.05023	2.1
75.30185	0.9
80.14896	0.9
85.06561	1.5
95.05054	1.2
96.96030	2.8
108.05899	0.9
109.06588	1.7
123.08160	1.2
149.09750	1.6
161.13290	1.2
165.05913	1.0
167.10762	8.8
177.12825	2.4
179.10762	2.8
179.14418	9.1
195.13881	25.6
205.12323	23.3
222.20636	1.0
223.13380	100.0
224.13762	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	223.061
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01373	3.3
69.59035	0.7
82.59132	0.9
87.00871	14.5
91.05529	68.1
92.05878	2.4
105.42271	0.9
117.07108	15.5
118.07444	0.9
119.05025	0.8
133.06599	33.7
135.04520	3.8
138.26730	0.8
161.06073	51.9
162.06418	2.5
163.04001	83.1
164.04372	3.6
179.07117	6.6
191.73737	0.8
205.05016	2.5
216.94308	0.9
223.06094	100.0
224.06477	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	223.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32476	0.9
55.01871	5.2
57.03450	4.6
58.00586	3.5
58.48242	1.0
59.01377	57.5
61.98819	1.8
69.03446	1.0
71.01381	35.8
71.52489	1.2
72.99305	18.0
73.02944	100.0
75.00865	7.3
75.83372	0.8
80.96514	6.3
81.03461	5.3
82.69296	0.9
83.01390	4.5
85.02953	19.3
85.38762	1.0
87.00866	3.5
87.02728	3.8
89.02444	33.5
91.04001	53.7
95.01349	1.0
97.02939	2.0
99.00878	9.2
101.02440	20.9
103.00357	2.2
111.00886	5.6
112.98807	8.4
113.02459	5.7
117.01924	1.9
117.03761	1.5
119.05018	2.4
125.02437	16.4
129.01949	23.7
131.03508	34.7
133.01402	3.7
135.04884	4.7
143.03470	3.9
147.02979	8.8
147.04480	3.4
149.04509	2.7
161.04549	2.7
161.06053	2.8
163.02449	2.4
163.03813	1.3
193.01302	1.0
193.40538	0.9
199.47464	0.9
205.03487	13.3
208.03737	1.3
219.98943	1.0
223.02695	3.1
223.04602	39.1
223.08189	85.5
224.08556	2.1
230.52383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03448	2.8
59.01381	4.2
67.01895	0.5
68.99848	0.3
69.03453	2.0
71.01378	3.8
71.54320	0.4
72.99307	34.1
73.02940	1.4
75.00868	5.9
81.03455	15.5
82.03787	0.3
83.01379	0.8
85.02950	27.6
86.03288	0.5
87.00879	4.0
87.04517	0.3
89.02442	0.9
90.28220	0.3
95.01380	0.4
96.96018	1.3
97.02950	2.0
99.00880	17.5
99.04521	0.5
101.02462	1.1
105.00038	0.3
111.00867	0.8
113.02447	6.7
115.04077	0.6
117.01942	4.9
119.05004	0.3
121.02972	1.0
122.04893	0.3
125.02444	54.2
126.02760	1.3
129.01941	63.2
130.02251	0.9
131.03477	1.5
133.01468	0.4
133.02931	0.4
135.00970	0.3
139.09865	0.3
143.03487	6.9
147.02992	26.2
148.03322	0.4
149.02423	0.7
151.07651	0.4
159.02988	0.8
161.04565	2.6
163.03777	0.3
164.04869	0.4
165.01926	1.0
169.01407	1.9
177.01933	0.9
177.04105	0.4
177.06987	0.3
179.03494	0.4
179.07156	0.4
179.10826	0.3
187.02446	0.6
193.01421	1.0
205.01427	5.1
205.03488	33.7
206.03867	1.0
208.03809	0.7
223.04578	100.0
224.04971	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
57.03456	4.4
58.00582	1.2
59.01377	23.5
68.99816	0.9
69.03445	2.4
71.01381	43.6
71.51742	0.6
72.99307	54.6
73.02934	7.2
75.00870	7.9
75.68666	0.5
78.95908	4.1
81.03452	11.9
83.01387	5.1
83.15134	0.7
84.02155	0.6
85.02946	35.0
86.03259	0.7
87.00874	7.3
89.02442	19.3
95.01380	1.5
96.96018	1.3
96.96967	1.9
97.02939	7.1
99.00880	16.5
99.01533	0.8
99.04510	1.2
101.02440	20.2
103.00373	7.4
106.00119	0.7
110.34605	0.5
111.00851	4.7
113.02448	15.7
115.00379	1.6
115.04018	2.1
115.85732	0.5
117.01932	3.7
119.03484	1.4
125.02444	44.3
126.02802	0.9
129.01941	50.0
129.57539	0.5
130.02278	0.8
131.03484	1.8
133.01430	21.0
143.03497	12.3
145.01402	1.4
147.02983	19.4
161.04523	2.5
163.02469	9.4
166.13202	0.6
169.01439	1.8
177.04018	0.6
183.29330	0.6
183.49184	0.6
187.02493	0.8
205.03526	30.9
223.04570	100.0
224.04868	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	221.0818
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01376	77.9
64.63091	1.2
64.94342	1.1
71.01374	2.1
71.05016	79.1
71.53339	2.1
73.02937	3.6
73.06581	1.4
75.02390	3.6
85.02944	1.6
93.03451	5.7
101.02438	4.0
103.82394	1.2
107.05042	8.2
119.01404	2.0
121.02956	59.5
122.03326	1.4
124.49104	1.2
134.03741	100.0
135.04436	4.3
137.54990	1.1
137.70279	1.1
147.00876	16.1
147.08176	3.6
149.09729	14.9
150.10052	1.5
161.04556	7.2
165.01878	2.0
175.07632	1.7
177.01912	1.8
177.09178	15.6
190.99878	5.8
193.08722	1.7
206.02159	1.9
221.04681	2.4
221.08179	55.4
221.11514	2.1
222.08432	2.5
226.95569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
57.03447	15.8
59.01377	23.5
60.01727	0.4
67.01889	1.2
68.91221	0.4
68.99811	1.3
70.33552	0.4
70.65642	1.1
71.01376	13.3
72.99304	10.5
73.02940	3.9
75.00873	6.2
81.03455	1.7
83.01385	9.7
84.02167	2.8
85.02948	100.0
86.03281	1.3
87.00883	5.3
88.01662	0.6
89.02451	1.0
91.04006	0.4
93.03453	1.5
95.01432	0.4
96.24782	0.4
96.95997	2.0
97.02993	0.5
99.00885	3.8
101.02444	12.1
103.00382	2.0
103.03999	1.6
105.03468	0.5
107.05020	1.2
109.61522	0.4
111.00878	45.9
112.01201	0.8
113.02443	1.3
119.05018	2.5
121.02946	3.5
125.02454	7.2
129.01941	36.0
131.03496	0.6
133.01401	0.6
133.02953	1.7
135.04514	2.7
137.02461	0.5
143.03455	1.8
147.02995	10.8
147.04373	0.6
149.02440	6.2
151.03995	0.6
152.01111	1.5
159.02994	0.7
161.02469	0.7
161.04559	2.7
161.05685	0.5
163.02737	0.4
163.03983	2.4
164.04767	3.9
165.01921	1.7
169.01352	0.4
169.05014	0.6
173.00888	0.6
177.01958	3.3
179.03429	0.7
179.05714	0.6
179.07098	1.5
181.04993	0.9
187.02478	2.8
190.10141	0.4
193.01402	6.0
198.03415	0.4
205.01381	17.7
205.03473	47.2
206.01785	0.7
206.03799	1.5
208.03754	9.6
223.02687	3.2
223.04512	55.4
223.06104	3.2
224.04816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0454
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
52.24768	0.5
65.12037	0.6
69.86478	1.1
69.86887	1.6
73.56830	0.5
91.01922	0.8
91.05527	1.2
93.03477	0.7
95.01414	0.6
106.04272	1.5
107.05032	5.7
108.02198	1.4
109.02944	0.6
117.03479	0.6
119.05029	0.9
121.02956	1.2
131.05017	4.8
132.05812	2.4
133.06592	66.7
134.06923	1.8
147.04478	2.5
177.05559	100.0
178.05890	3.0
221.04553	14.4
222.04779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02431	0.9
59.01378	100.0
69.03463	1.5
71.01375	4.2
71.05019	27.0
71.54429	1.6
72.75287	1.1
73.02931	5.6
75.02352	1.0
83.01385	1.5
85.02945	2.2
89.50217	1.1
93.03439	1.5
97.02950	1.2
101.02438	4.5
107.04999	2.0
108.02135	1.5
113.02435	3.3
119.01388	1.1
121.02955	19.8
121.03784	2.1
124.12554	1.1
131.03571	1.5
133.06572	1.4
134.03734	31.1
135.04440	1.7
143.03468	1.3
147.00848	5.3
149.09708	5.1
159.19556	1.2
161.04526	6.6
177.05525	2.6
177.09203	9.3
190.99721	2.8
206.02197	2.4
221.00842	1.2
221.04478	4.0
221.08186	20.8
221.11789	2.8
221.15382	1.2
229.59105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
70.81899	2.3
70.82262	1.7
71.01382	3.7
71.05014	40.0
73.02934	4.7
75.02415	1.5
81.03457	1.3
82.00703	1.2
85.02931	3.3
93.03442	3.1
96.96071	1.3
101.02442	3.5
107.04997	3.5
109.18453	1.2
113.02417	3.2
121.02942	34.3
121.06612	1.5
125.17011	1.0
125.45467	1.1
126.08322	1.2
129.78702	1.2
130.05064	1.1
131.03494	1.5
133.06641	2.0
133.28770	1.3
134.03728	48.5
135.04355	1.1
147.00870	7.2
147.08163	2.3
149.06190	1.8
149.09724	8.6
161.02528	1.4
161.04576	6.7
162.03194	1.6
165.01901	2.8
175.07486	1.6
177.05615	2.4
177.09196	11.9
185.98648	1.3
190.99878	4.6
193.08699	1.8
206.02145	2.5
206.09512	1.3
221.00920	2.6
221.04497	4.6
221.08147	27.9
221.11754	4.0
222.08372	1.6
233.72293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78773	0.2
51.57574	0.2
56.74185	0.2
59.01376	0.7
60.02203	0.2
64.61152	0.2
71.01378	0.3
71.54332	0.2
85.02985	0.2
92.74427	0.2
97.28654	0.2
100.62417	0.2
117.03447	0.3
145.02948	0.9
146.03720	2.5
147.04555	0.3
147.41251	0.2
157.06580	0.3
159.04509	13.4
160.05055	0.9
161.02498	0.4
161.09697	0.2
162.03169	0.2
163.04007	0.4
171.08102	0.5
173.02428	3.1
173.06030	1.9
174.06859	14.3
175.07626	4.1
176.07996	0.3
185.06145	0.3
187.03996	0.4
188.04778	64.2
189.05148	2.9
189.09186	1.2
191.78036	0.2
198.54196	0.2
199.07625	0.5
200.04811	0.7
201.05528	2.2
202.06256	0.8
216.07932	2.6
217.08673	100.0
217.14142	2.1
218.09024	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	221.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10291	0.2
59.01377	7.8
60.14968	0.2
66.46100	0.2
66.93561	0.2
69.17478	0.8
69.17900	1.7
71.01372	0.8
73.02945	0.7
73.31977	0.2
74.53689	0.2
75.11924	0.2
77.83253	0.2
82.60792	0.3
93.03455	0.3
101.02426	0.6
106.04232	0.4
108.02212	0.9
109.02944	1.6
111.00871	0.5
113.02453	0.6
117.03455	2.9
119.05032	0.3
121.02971	0.5
123.00940	0.4
123.04492	0.7
124.01640	0.5
129.03482	0.5
133.02957	8.7
134.03775	3.0
135.04465	0.4
137.02397	1.3
139.04044	0.4
145.02950	9.3
147.00868	0.5
147.04486	2.4
148.05275	0.4
149.02438	0.3
149.06093	0.9
150.03293	0.3
160.01689	0.8
161.02435	25.3
162.03079	1.3
163.03987	0.3
173.02444	1.0
179.03474	3.4
189.01941	5.0
190.02664	2.4
193.05055	1.9
194.02194	0.4
203.03432	0.3
221.04541	100.0
222.04861	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	217.0868
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
59.01379	1.1
64.23347	0.2
71.49608	0.2
85.06597	0.2
98.22530	0.2
108.02161	0.3
113.06100	0.2
131.07144	1.3
133.08423	0.2
138.01964	4.9
143.08615	0.2
145.02924	0.3
146.03734	2.6
147.04478	0.2
148.87247	0.2
156.05771	0.2
157.06538	0.2
157.08681	0.2
159.04503	11.3
160.05261	0.9
161.06070	0.2
161.09584	0.2
163.03981	0.7
170.66391	0.1
171.08130	0.5
173.02435	2.5
173.06065	1.4
174.06847	13.6
175.07628	3.7
187.03996	0.4
187.07689	0.3
188.04774	63.2
189.05125	2.9
189.09224	0.3
199.07640	0.5
200.04774	0.8
200.08385	0.4
201.05545	2.5
202.06201	0.5
215.07021	0.2
216.07907	2.3
217.08673	100.0
217.97701	0.4
218.02792	0.2
218.09018	5.1
232.89095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.165
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
59.01363	0.5
61.90570	0.2
61.98828	0.4
62.24886	0.3
65.00278	0.5
68.14723	0.3
68.48891	0.3
71.01346	0.4
71.54154	0.4
89.02424	0.3
117.03432	0.7
119.80734	0.3
122.89417	1.9
139.11255	0.7
144.00865	2.1
152.98296	0.5
158.03690	0.6
159.04471	1.4
166.00870	0.3
169.15962	4.7
172.00410	0.3
172.05272	0.4
183.10226	0.5
186.03069	0.4
186.06879	0.5
186.89781	0.9
187.03993	0.6
187.07602	0.7
197.15434	2.3
200.04716	0.9
213.14986	0.8
215.00984	19.2
215.03329	1.3
215.07120	5.0
215.16492	100.0
216.01213	1.0
216.07362	0.5
216.16840	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	216.8966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
71.01328	0.4
71.06271	0.3
72.99255	0.3
74.99335	0.2
78.95425	0.3
78.95892	5.6
79.95722	0.5
80.96480	0.2
85.02917	0.4
95.95187	0.1
96.95379	0.3
96.96004	4.1
96.96652	0.2
96.96957	0.4
101.00939	0.3
111.00858	0.1
117.00446	1.6
119.93718	0.2
122.36691	0.1
127.05106	0.1
128.03555	0.3
128.07199	0.2
129.06654	0.1
134.97639	0.2
136.94002	83.8
136.99121	1.0
137.94081	4.2
138.94456	0.1
143.01981	0.2
144.99904	0.1
145.06224	0.4
145.09850	0.4
146.04559	0.3
154.95068	0.4
156.06682	0.4
156.90277	3.3
156.99875	0.3
168.99936	1.2
174.99226	0.6
198.89668	1.6
198.90814	0.5
199.01036	0.5
200.05719	0.4
216.90671	100.0
217.00006	0.6
217.01988	0.9
217.90794	4.7
218.91017	0.2
234.91733	12.9
235.91792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0869
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
50.97046	0.2
56.45423	0.2
59.01375	1.7
71.53806	0.2
84.32845	0.1
85.02929	0.3
99.00889	0.2
117.03532	0.2
118.02943	0.2
131.07178	0.2
131.09067	0.2
145.02951	0.6
146.03700	2.5
147.04405	0.2
156.05858	0.2
157.06599	0.2
157.08707	0.5
159.04498	11.9
160.05247	0.9
161.02467	0.3
161.06116	0.2
163.03998	0.6
171.08131	0.6
173.02426	2.8
173.04700	0.4
173.06018	1.6
173.11798	0.2
174.03069	0.6
174.06844	14.1
175.07620	4.2
175.09731	0.7
176.01778	0.2
176.03496	0.3
176.07951	0.2
185.06064	0.2
187.04013	0.3
187.11279	0.2
188.04770	61.8
189.01898	1.7
189.05147	2.6
189.09155	0.4
199.07639	0.4
200.04776	0.7
201.05533	2.2
202.02689	0.4
202.06270	0.3
203.03506	0.2
216.07874	2.3
217.08669	100.0
218.09013	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	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
50.00330	0.4
50.07451	0.3
52.12833	0.3
59.01371	1.2
59.56020	0.4
61.98823	1.1
63.80040	0.4
64.01965	0.4
70.53423	1.1
77.03983	0.8
78.95917	0.4
80.83718	0.3
86.03281	0.9
86.22292	0.4
87.00862	0.4
88.03722	0.4
92.05066	0.8
94.02995	0.9
96.96017	0.5
103.04262	1.9
104.05063	35.8
105.05331	0.6
108.02206	0.4
112.14942	0.4
120.04556	6.4
120.05361	0.6
122.02507	0.4
122.06126	1.7
123.04549	0.9
124.04038	2.4
148.04042	59.0
149.04393	1.9
152.01152	0.7
163.04010	0.7
166.05084	100.0
166.91013	0.5
167.05440	2.3
178.33405	0.4
181.05069	0.8
210.04066	14.3
211.02385	0.4
211.04306	0.7
211.06111	0.5
211.13316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.91768	0.2
60.52620	0.2
69.03437	0.7
69.13463	0.2
69.57973	1.4
83.05019	0.3
95.01374	0.5
97.06519	0.2
123.00843	0.3
155.10869	0.4
164.98230	0.4
165.12828	0.3
167.10789	0.5
167.14366	1.3
181.12300	0.3
183.13889	13.0
184.14296	0.6
193.12311	3.4
202.34772	0.2
211.13374	100.0
212.13722	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
61.98835	0.6
68.99805	0.4
69.03452	0.9
71.31217	0.8
73.45773	0.4
73.99869	0.4
83.05043	0.4
95.01401	1.2
116.15171	0.4
121.02950	0.5
123.00847	0.7
151.11131	0.4
164.98338	0.9
165.12718	0.4
167.10822	0.6
167.14343	1.0
183.13887	13.2
184.14354	0.5
193.12344	3.4
211.13380	100.0
212.13730	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
56.81126	0.2
59.01376	0.4
62.75354	0.3
65.00323	0.4
65.48022	0.2
69.52592	1.5
101.58355	0.2
104.95834	0.2
125.02368	0.4
125.60174	0.2
142.71425	0.2
177.12871	0.6
181.67769	0.3
183.13889	22.9
184.14220	1.1
195.13879	19.7
196.14153	0.6
196.83200	0.2
211.13385	0.4
213.14941	100.0
214.15295	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	215.0562
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
51.64829	1.2
53.58530	1.2
55.01868	6.5
55.21177	1.1
57.03432	3.9
58.02955	3.8
59.01379	17.0
59.58598	1.1
61.98818	3.5
61.99134	1.0
67.01859	1.3
68.99806	4.8
69.03468	5.9
71.01373	4.1
71.05013	3.2
71.52258	1.5
72.04504	1.5
72.56709	1.2
72.99302	4.0
73.02919	1.6
78.95888	1.9
80.02634	2.0
81.03461	2.8
82.02975	8.2
83.01385	1.4
83.05013	5.5
84.02150	2.3
85.02938	3.3
87.00884	2.7
88.04005	4.0
89.02438	2.1
93.03453	4.7
95.05016	9.2
96.96909	1.6
96.99286	2.9
97.02937	2.1
97.06590	100.0
98.02450	3.9
98.03754	8.6
98.06928	1.8
99.00886	8.3
100.04027	4.4
100.07712	1.2
101.02441	2.1
107.05034	11.9
108.02143	3.2
109.02950	1.6
109.06592	79.7
110.06884	2.8
111.00865	1.7
111.03969	1.1
111.04525	13.5
112.05254	1.9
113.02405	1.9
115.03968	2.0
117.03413	1.9
121.02903	1.1
122.89438	2.9
123.04527	20.3
125.06106	9.4
127.00377	3.6
127.03983	2.8
127.07648	32.7
128.05101	1.6
133.79179	1.2
135.04529	15.7
140.53613	1.1
141.05540	4.6
143.07121	1.9
144.00911	7.4
144.04495	1.4
151.04012	2.7
153.05569	17.6
155.07097	1.5
156.02934	2.4
159.02960	4.4
159.04349	1.2
169.04912	2.8
171.05258	1.3
171.06631	19.5
171.08043	2.0
171.10237	1.6
173.08160	10.6
173.12947	2.7
174.07684	2.2
185.04591	1.8
186.89655	1.6
187.02498	4.5
187.03969	1.8
187.06122	1.2
197.04552	11.4
215.00932	74.7
215.03365	3.3
215.05232	16.4
215.09198	4.5
215.14120	7.3
216.01285	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	209.1181
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.19609	0.4
51.13926	0.4
55.49807	0.4
57.03443	3.3
59.01375	100.0
66.79477	0.5
68.21449	0.4
69.34904	2.9
70.19924	0.4
80.02673	0.6
81.03461	1.6
85.02931	2.3
87.00846	2.1
89.02436	0.7
93.03459	0.6
95.05064	0.5
96.35296	0.4
97.06592	3.0
109.06589	3.2
111.52233	0.4
120.02204	0.5
121.02955	5.9
129.01918	1.3
138.25447	0.5
143.59839	0.4
149.09715	0.6
165.12814	4.2
171.47968	0.5
194.01909	0.4
209.04512	1.0
209.06580	1.9
209.11794	19.2
210.12053	0.7
211.83934	0.5
229.72211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44629	0.4
59.01380	1.5
61.98828	100.0
65.64672	0.4
66.03482	0.5
70.41639	1.1
70.52551	0.4
77.61408	0.4
78.95905	0.7
91.92128	0.6
94.02994	1.2
97.03032	0.5
121.02952	0.6
122.03332	0.5
124.04039	5.1
133.51024	0.4
164.96310	0.4
166.01411	0.4
166.91063	1.8
209.94891	35.2
210.07822	0.5
210.12158	0.5
210.94945	1.9
211.13448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01872	2.3
57.03443	1.8
59.01378	1.7
61.98823	2.9
62.69764	0.2
65.00317	0.8
65.02173	0.3
67.08794	0.2
68.99825	0.5
69.03448	1.0
69.20881	2.6
71.01386	0.8
71.05009	0.7
80.02673	0.9
81.03455	4.2
83.01382	23.9
83.05023	3.2
84.01714	0.3
84.02174	1.1
85.02964	1.0
86.60603	0.3
89.02466	0.5
91.01920	0.4
92.99805	1.4
93.03458	3.1
94.02929	0.3
95.01390	0.3
95.05024	1.4
95.08807	0.3
97.02929	0.4
97.06583	4.6
108.02187	0.4
109.02928	0.4
109.06597	0.5
111.08195	0.5
120.02173	0.4
121.02950	36.0
122.03297	1.1
123.04488	0.4
123.08173	1.9
124.04016	2.2
125.02506	0.3
125.06107	0.4
125.09713	20.9
126.10052	0.8
135.08139	2.3
136.01695	0.5
136.98779	0.7
137.02435	1.2
147.11784	1.0
153.12906	0.3
161.09631	0.3
163.11282	9.7
164.11577	0.4
164.98305	0.6
165.01944	1.0
165.09186	0.3
165.12837	3.8
166.13100	0.3
167.10767	0.8
173.09740	0.6
178.99892	0.3
179.03539	0.5
181.12297	1.4
181.76120	0.3
186.92081	0.3
191.10762	6.6
194.05846	0.5
198.94412	0.3
209.01045	1.4
209.04572	5.4
209.11804	100.0
209.94850	0.9
210.04961	0.4
210.12149	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
56.33307	0.9
57.03440	4.5
57.89627	1.0
59.01381	11.4
62.82848	1.1
69.03454	24.0
70.54396	2.4
70.54727	1.3
70.85583	1.0
71.01399	1.0
71.05021	2.4
71.21535	0.9
79.57388	0.9
79.91408	1.0
83.05019	2.9
85.02936	2.3
87.00851	1.6
92.99805	1.0
93.03445	4.8
95.05014	2.4
96.96027	1.3
97.06573	1.7
109.06610	1.6
111.08159	5.1
114.32516	1.0
121.02952	29.8
121.10273	1.6
124.04043	1.9
127.07672	1.3
129.01924	1.9
135.08189	1.6
137.02380	1.0
139.07623	1.5
147.11823	1.8
153.09192	5.7
163.11250	4.2
165.09200	3.5
165.12836	21.8
166.13217	1.1
173.09666	1.3
179.71240	1.0
181.12323	22.7
191.10767	25.7
194.00435	2.1
209.04572	3.3
209.11812	100.0
210.12135	3.4
212.61195	1.0
228.35222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01876	1.3
57.03447	5.0
58.00576	0.4
59.01384	3.5
59.67646	0.4
61.98830	9.6
64.98451	0.4
65.00342	1.0
65.03955	0.5
69.03453	1.6
69.51350	3.1
71.01384	11.2
71.05014	1.0
73.02930	0.7
80.02665	1.0
81.03477	3.2
83.01385	12.5
83.05015	3.7
84.02159	1.5
85.02946	1.2
91.01907	1.1
92.99835	3.4
93.03457	4.5
94.02979	1.3
95.01413	0.8
95.05043	2.9
96.95963	0.5
97.02940	0.9
97.06581	4.0
98.02506	0.5
99.04580	0.4
103.06531	0.4
107.05000	0.9
108.02190	0.4
109.02973	0.7
109.06599	0.6
110.03722	0.5
111.08159	1.3
119.40031	0.4
120.02145	0.9
121.02955	53.1
122.03300	1.7
123.08180	2.4
124.04047	3.1
125.02432	0.6
125.09718	14.8
133.01405	0.5
134.03743	1.0
135.08186	2.2
136.98837	1.2
137.02438	1.1
137.09758	0.9
138.01978	0.5
145.10260	1.4
147.11794	1.6
149.09694	0.7
151.11278	14.4
153.12817	2.0
156.17809	0.4
161.09755	0.7
163.11288	9.0
164.98262	0.7
165.01921	1.3
165.12839	13.1
166.13255	0.5
167.10773	1.2
170.74779	0.4
173.09773	2.2
179.03569	0.8
179.10805	3.8
181.12341	27.3
182.12637	1.0
182.29962	0.4
185.78169	0.4
190.99789	0.5
191.09007	0.8
191.10767	13.4
192.11069	1.0
194.02301	0.8
209.01080	2.1
209.04562	9.5
209.11815	100.0
209.94896	3.3
210.12103	4.5
225.11398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01874	10.7
57.03434	0.8
58.00595	5.5
58.21736	0.6
59.01377	50.1
67.94133	0.6
68.99828	0.8
69.03431	1.1
70.38342	2.1
71.01372	9.6
72.99306	8.2
73.02945	7.9
75.00872	6.2
75.74916	0.6
78.95898	0.8
80.50547	0.7
83.01373	3.3
85.02941	7.2
87.00876	3.6
89.02435	9.1
95.01379	1.1
99.00861	3.4
100.01623	0.7
101.02458	2.8
101.99586	1.6
113.02442	6.2
117.01933	100.0
118.02263	1.7
119.06461	0.7
127.00401	0.6
127.47926	0.7
129.00967	0.8
129.01936	16.6
131.03503	2.6
135.02986	2.5
136.93968	0.8
147.02975	6.1
163.04018	1.1
165.04024	0.8
173.63426	0.6
180.25983	0.8
187.66905	0.6
189.04045	2.5
206.95518	2.6
207.03186	0.7
207.05074	11.0
225.92377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
53.25994	1.1
55.01871	3.7
57.03442	20.6
58.00583	2.5
59.01379	33.2
68.99797	2.1
70.68925	3.0
71.01379	23.7
72.99313	1.8
73.02939	3.5
80.96511	4.1
81.98682	1.4
83.01383	11.9
84.02167	3.9
85.02949	46.6
87.00875	100.0
87.04463	1.4
87.17893	1.3
87.20541	1.3
88.01209	1.4
89.02441	16.8
91.69269	1.2
92.73471	1.2
93.48684	1.2
99.00877	16.1
111.00875	2.4
113.02466	1.7
115.04007	8.9
129.01936	54.8
142.99844	2.6
157.28641	1.5
159.02989	11.8
173.00984	1.4
191.01970	1.3
209.03258	3.1
209.06651	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
54.70494	1.1
55.01865	4.2
57.03160	1.6
57.03444	26.7
58.00597	2.3
59.01376	37.5
68.99809	2.8
69.68246	3.4
69.68649	2.5
71.01381	30.3
72.99307	4.5
73.02940	4.2
75.00864	3.7
75.50229	0.9
78.91877	3.1
80.05055	1.3
80.91673	4.7
83.01389	11.9
84.02164	4.9
85.02949	92.6
86.00087	2.2
86.03261	1.4
87.00872	100.0
87.04503	1.3
89.02438	18.4
96.96957	1.2
97.02951	1.4
99.00877	16.7
103.00350	1.7
104.28564	1.1
111.00892	3.0
112.98801	2.3
115.00382	0.9
115.04022	7.0
122.06104	1.2
129.01938	56.1
129.87398	1.0
130.02246	1.0
133.01437	7.7
138.34276	1.0
141.01952	1.2
142.99838	5.8
147.03009	3.9
148.04007	1.5
159.02997	13.4
161.47293	0.9
166.05069	4.0
167.96669	1.1
173.00922	1.8
191.01988	8.8
191.05606	1.5
208.84979	3.0
209.03107	22.5
209.06639	88.5
210.06927	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01381	1.0
61.98816	0.3
71.01370	0.7
72.99313	0.2
75.00878	0.2
76.00686	0.1
85.02924	0.2
87.00877	0.4
89.03952	0.2
89.99854	0.2
91.75046	0.1
93.03456	0.2
95.05019	0.1
95.18930	0.1
98.19747	0.3
99.00866	0.3
105.03409	0.3
115.00391	0.7
117.03458	0.3
119.85587	0.1
124.98746	0.1
132.02200	0.1
133.02928	0.7
133.06720	0.1
142.99831	0.2
145.01410	0.2
161.02405	0.3
162.89302	0.5
177.01927	1.1
189.12869	1.6
205.01404	2.4
205.15959	100.0
206.16306	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02971	34.9
70.02972	13.3
70.43907	2.1
72.00900	5.9
80.43504	0.7
86.39503	0.6
90.14540	0.7
91.01900	0.7
91.05524	15.9
91.60902	0.7
91.91711	0.5
98.20659	0.6
103.05537	1.9
115.43178	0.5
121.02956	0.7
134.03206	0.7
135.04485	0.8
147.04509	37.2
148.05048	0.8
161.02420	0.7
162.09203	1.4
163.03979	1.7
164.07149	100.0
165.07457	3.3
178.02213	1.4
206.01738	4.3
206.08199	44.1
207.02939	1.1
207.08504	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	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98828	100.0
62.98536	0.2
63.99248	0.1
69.86563	0.5
75.00878	0.1
98.19858	0.1
107.49035	0.1
108.20029	0.1
110.33892	0.1
129.01930	0.3
147.03018	0.3
149.02432	0.1
162.98473	1.4
164.96384	0.3
177.01962	0.7
192.04282	0.7
206.97429	9.5
207.06558	0.2
207.10338	0.1
207.97530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0504
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
57.03445	1.1
59.01371	2.8
61.80466	0.9
65.75509	1.1
67.23705	1.1
69.37047	7.8
69.37431	2.0
71.01370	2.0
81.03406	1.0
89.03963	1.2
91.05531	30.2
97.02940	1.2
99.00864	1.6
100.81131	1.0
105.03455	2.2
115.00340	2.0
115.05441	1.2
117.07103	68.9
118.07405	2.9
118.53760	1.2
120.03873	1.2
121.06557	1.2
122.03745	1.3
123.94810	0.9
125.02448	2.4
128.60414	1.2
133.02975	5.2
135.04517	2.3
161.06071	100.0
162.06494	5.1
163.11258	2.0
177.01866	8.2
187.11273	2.3
190.09935	1.9
205.01407	19.1
205.03307	2.3
205.05058	10.2
205.12334	10.8
205.15883	2.2
213.54051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
56.02039	0.4
57.03439	1.3
59.01378	20.6
59.19889	0.4
61.98822	1.3
67.01881	1.2
68.99815	1.3
69.03458	1.1
71.01377	10.2
71.05015	2.0
71.51993	0.6
72.99303	7.8
73.02946	3.5
74.02450	0.5
75.00872	3.6
77.03973	0.8
81.03458	3.4
83.01391	2.6
83.05022	9.8
85.02952	4.3
87.00871	9.3
89.03959	7.6
93.03479	1.2
95.05058	0.6
96.99315	0.9
97.02943	1.3
97.06585	6.0
99.00875	5.2
99.04506	3.1
101.02438	14.5
103.00343	0.7
105.03448	10.2
107.01386	0.7
109.02893	0.7
111.00875	16.5
112.98820	1.2
113.02453	0.6
115.00372	8.1
115.03983	2.7
117.00101	0.4
117.01936	1.4
124.98782	1.1
125.02444	6.4
125.06062	7.9
127.00374	0.7
127.04003	7.3
129.01917	1.9
133.02954	22.3
134.03299	1.1
137.02443	1.8
140.16437	0.4
142.99852	1.7
143.03510	1.9
143.07130	15.2
145.01436	2.6
145.05061	17.1
149.02431	2.9
154.99841	1.5
160.01648	1.1
161.02446	5.8
161.06136	0.6
169.05098	1.9
173.00896	1.5
175.02489	0.7
177.01924	44.5
178.02290	1.9
187.02443	0.6
187.06122	6.8
190.02756	0.7
205.01410	100.0
205.07132	16.7
205.15923	2.1
206.01740	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	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
56.02039	0.4
57.03439	1.3
59.01378	20.6
59.19889	0.4
61.98822	1.3
67.01881	1.2
68.99815	1.3
69.03458	1.1
71.01377	10.2
71.05015	2.0
71.51993	0.6
72.99303	7.8
73.02946	3.5
74.02450	0.5
75.00872	3.6
77.03973	0.8
81.03458	3.4
83.01391	2.6
83.05022	9.8
85.02952	4.3
87.00871	9.3
89.03959	7.6
93.03479	1.2
95.05058	0.6
96.99315	0.9
97.02943	1.3
97.06585	6.0
99.00875	5.2
99.04506	3.1
101.02438	14.5
103.00343	0.7
105.03448	10.2
107.01386	0.7
109.02893	0.7
111.00875	16.5
112.98820	1.2
113.02453	0.6
115.00372	8.1
115.03983	2.7
117.00101	0.4
117.01936	1.4
124.98782	1.1
125.02444	6.4
125.06062	7.9
127.00374	0.7
127.04003	7.3
129.01917	1.9
133.02954	22.3
134.03299	1.1
137.02443	1.8
140.16437	0.4
142.99852	1.7
143.03510	1.9
143.07130	15.2
145.01436	2.6
145.05061	17.1
149.02431	2.9
154.99841	1.5
160.01648	1.1
161.02446	5.8
161.06136	0.6
169.05098	1.9
173.00896	1.5
175.02489	0.7
177.01924	44.5
178.02290	1.9
187.02443	0.6
187.06122	6.8
190.02756	0.7
205.01410	100.0
205.07132	16.7
205.15923	2.1
206.01740	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
57.03433	3.8
59.01379	68.5
60.99296	2.3
61.98829	11.4
67.01872	2.8
68.99814	4.4
69.03448	1.4
71.01381	28.9
71.05013	1.6
71.15261	1.6
72.99303	23.3
73.02946	4.4
75.00872	16.8
81.03446	5.8
83.01385	8.7
83.05041	1.5
85.02955	7.6
87.00873	15.8
89.02425	3.2
89.03976	7.6
96.99290	1.2
97.02937	1.2
99.00883	19.0
99.04532	2.5
100.98822	1.9
101.02457	7.0
101.60985	0.9
103.00351	1.6
105.03468	9.6
111.00897	11.7
112.98814	7.6
115.00380	31.4
115.03959	1.3
117.01952	5.1
124.98817	4.3
125.02450	17.2
125.06107	2.3
127.00398	3.5
129.01935	9.3
133.01411	1.4
133.02962	23.0
137.02368	2.5
142.99858	7.3
143.03494	1.3
143.07127	5.2
145.01431	8.0
145.05092	4.8
149.02432	2.6
154.99860	3.4
160.01645	1.1
161.02426	6.8
173.00882	2.0
175.02534	3.2
177.01924	44.6
178.02295	1.7
185.70747	1.0
187.02513	2.1
187.06126	3.0
205.01434	100.0
205.03456	8.7
205.06987	4.9
205.15924	5.1
206.01770	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69349	2.0
52.80911	2.1
55.01870	8.3
57.03441	7.6
58.00591	2.8
59.01377	100.0
64.64811	2.1
67.01884	4.5
68.99816	10.0
69.61416	13.6
71.01379	81.7
71.05013	4.5
72.99309	54.6
73.02935	18.5
75.00864	32.5
81.03454	10.0
83.01377	18.2
83.05025	8.9
85.02930	9.9
87.00872	51.0
89.02459	6.4
96.99299	9.0
97.02943	2.8
97.06573	4.4
98.00137	2.1
98.19884	2.6
99.00871	40.1
99.04497	10.2
100.98791	2.8
101.02441	28.0
103.00369	8.1
111.00877	64.4
112.98799	22.7
113.02474	3.8
115.00370	90.6
115.04013	6.4
117.01960	16.9
123.19820	2.5
124.98817	9.2
125.02439	45.7
125.06042	9.0
127.00346	7.4
127.04012	6.4
129.01932	15.1
131.03442	3.2
133.02972	3.2
142.99872	21.1
143.03519	7.6
143.07124	18.6
145.01430	21.2
145.05069	22.4
154.99805	14.7
159.08571	3.5
161.04398	2.5
169.05002	2.6
173.00931	12.3
175.02457	9.5
187.02470	6.4
187.06122	11.0
187.07880	2.2
205.01419	6.3
205.03482	28.7
205.07153	18.5
205.09062	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	205.0141
Annotation	Pisonin D
Peak:m/z	Relative Intensity
50.47474	0.3
58.02971	0.5
62.94078	0.3
69.76815	1.8
77.03982	0.7
81.03436	1.5
89.03972	8.4
90.04333	0.3
92.90075	0.4
93.03445	1.0
95.05038	0.3
97.91457	0.4
102.10080	0.3
105.03458	12.2
106.03731	0.3
107.01408	1.0
121.02924	0.8
125.02521	0.3
133.02953	24.3
134.03293	0.8
139.04027	0.6
147.04532	0.7
149.02435	3.4
160.01633	0.7
161.02435	6.9
164.07149	2.0
177.01923	44.8
178.02252	1.2
198.73880	0.3
205.01407	100.0
206.01764	4.5
206.08237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0141
Annotation	Pisonin D
Peak:m/z	Relative Intensity
54.87526	0.3
70.88029	0.7
77.03960	0.8
80.54942	0.4
81.03458	1.7
89.03968	8.4
93.03460	1.2
95.05016	0.7
105.03455	12.4
107.01387	0.7
109.02917	0.5
121.02950	1.3
125.02464	0.5
132.02171	0.4
133.02950	23.5
134.03284	0.6
139.04008	0.5
141.47980	0.3
142.78276	0.3
149.02451	3.2
160.01634	0.9
161.02432	8.2
177.01917	47.4
178.02223	1.7
205.01402	100.0
206.01764	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
60.01716	1.8
61.01805	0.7
61.98829	100.0
70.85580	0.3
71.01374	0.1
79.95739	0.1
80.96490	0.2
126.85236	0.1
160.03642	0.2
166.93785	0.1
190.09258	0.1
201.69545	0.1
203.99988	1.0
204.02737	1.0
218.14821	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0876
Annotation	N-Acetyl-D-fucosamine
Peak:m/z	Relative Intensity
55.01867	0.8
57.03435	2.7
57.26535	0.6
58.02973	18.9
59.01377	19.9
67.01887	0.9
69.03455	4.1
69.50655	3.8
69.51058	1.4
70.02973	1.2
70.03793	1.1
70.71653	0.7
71.01378	9.2
71.05014	2.6
72.04549	2.5
72.99312	7.7
73.02940	2.9
74.02472	1.5
74.60712	0.6
75.00872	3.4
81.03445	2.0
82.02989	0.9
83.01366	2.1
83.05032	1.3
84.04551	3.9
85.02947	14.9
86.02422	0.6
86.06116	1.3
87.00875	7.1
88.04031	7.9
89.02441	3.1
97.02930	2.7
97.06560	1.8
98.02480	1.9
98.03299	1.1
98.06105	6.4
98.19895	1.1
99.00886	3.7
99.04507	3.4
100.04037	12.9
100.07686	1.1
101.02431	5.2
101.79845	0.7
108.04555	2.7
110.06098	1.4
111.00874	9.1
112.04041	1.6
112.07684	0.8
114.05598	2.6
114.09235	2.9
115.00362	8.8
115.04001	2.0
116.07175	13.4
117.01955	1.3
124.07690	3.4
125.02438	11.7
127.00351	1.1
127.04029	1.0
128.07150	2.1
129.01930	1.3
132.04506	0.8
138.05602	3.6
140.07173	23.0
142.05060	0.9
142.08707	2.1
142.99861	2.6
143.03474	1.9
143.07129	3.7
144.06691	1.2
145.01466	3.0
145.05057	4.4
154.99828	1.6
158.08215	38.9
159.03261	1.5
159.08580	1.1
160.04085	6.6
160.06149	2.2
160.09769	1.1
162.07741	4.4
168.06647	2.7
175.02467	1.2
186.04103	0.8
186.07701	21.2
187.02502	1.4
187.06168	1.8
202.07219	1.6
204.02431	2.4
204.05144	2.6
204.08749	100.0
205.03580	5.1
205.07161	2.8
205.09108	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.56159	0.3
59.01388	0.9
67.01892	0.7
68.99831	0.5
69.03448	0.5
71.05043	0.5
83.01407	0.8
83.05051	0.4
85.02956	0.5
92.99811	0.7
96.96102	0.3
99.00887	0.8
99.08165	0.4
111.00864	1.4
113.02464	1.2
127.00385	1.5
127.04024	0.5
137.09717	6.7
142.62846	0.3
154.99831	0.5
155.10773	100.0
156.11111	3.1
181.08704	1.3
198.98944	0.5
199.04019	0.4
199.07823	0.6
199.09735	11.3
199.13347	1.6
199.17018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36001	0.3
59.01376	100.0
60.01720	0.6
65.91097	0.2
68.58224	0.3
69.74059	1.5
78.55423	0.3
98.19911	0.3
113.04563	0.4
115.02491	0.3
157.03555	7.2
159.01474	1.3
201.02531	17.0
202.02698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
57.03453	2.4
59.01371	1.9
69.03453	47.7
70.63184	2.3
70.63508	3.0
71.01382	35.8
72.99321	9.8
74.02486	1.8
75.00873	3.9
76.88139	1.7
79.01882	13.6
85.02944	6.5
87.00877	10.2
95.01384	6.7
97.02949	82.1
113.02467	2.5
115.00372	6.8
119.65578	1.9
123.00938	3.1
129.01981	4.6
141.01932	18.8
142.02211	1.8
143.42384	1.6
156.37619	1.5
157.03337	2.1
159.02904	2.1
170.91583	1.5
203.01971	100.0
204.02229	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	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
51.61415	0.7
52.82653	0.7
53.84710	0.6
59.01368	6.1
62.56727	0.7
69.03454	0.7
70.90103	0.9
70.90458	1.6
71.01388	1.4
72.00903	24.9
73.01246	0.7
74.02468	30.7
75.98289	0.7
97.02927	0.9
103.92021	0.7
116.05056	100.0
117.05372	3.5
129.05785	0.8
130.06622	3.0
132.08191	0.9
142.06613	27.0
143.06985	2.0
151.70352	0.7
157.07735	1.0
159.09254	20.1
161.04729	0.8
185.04485	1.0
186.05611	4.1
203.08243	78.5
203.27458	0.8
204.08586	2.7
216.48770	0.8
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	L-Anticapsin
Peak:m/z	Relative Intensity
61.98836	1.1
69.98969	2.7
83.05033	0.9
85.38170	0.6
92.05066	0.8
95.05011	1.0
96.04566	0.7
96.24968	0.6
98.20013	0.8
99.00907	0.6
108.04545	2.3
110.06147	0.6
111.04510	0.7
111.08142	0.8
120.04618	0.7
121.05299	1.5
122.06106	2.9
124.07677	100.0
125.08009	1.6
127.00436	0.7
133.05231	0.6
134.06123	1.2
136.07677	60.4
137.07993	1.6
154.05083	1.0
154.08702	1.4
163.31935	0.6
168.06642	13.2
180.06651	71.0
181.07004	1.1
182.00771	0.6
198.07675	12.6
199.09799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0613
Annotation	N,N-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.28609	0.3
51.88393	0.3
57.28275	0.3
62.89199	0.2
63.66798	0.3
66.03477	0.4
71.54385	0.4
72.18710	0.3
85.00230	0.3
95.01377	0.7
108.08192	100.0
109.08529	2.5
110.06123	0.3
121.02952	0.6
122.89918	0.3
123.00850	1.9
124.04024	0.8
125.06155	0.3
126.90556	0.7
138.03220	0.4
152.07164	44.0
153.01945	0.7
153.05580	0.5
153.07509	1.5
166.99814	1.5
178.99843	0.4
182.02225	3.1
196.06148	17.7
196.89450	0.4
197.04515	1.1
197.06310	0.8
197.09598	0.3
197.11732	0.5
202.93071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00320	0.8
55.01867	0.4
59.01372	0.6
59.47105	0.4
61.98858	0.3
65.00320	1.0
65.03976	0.9
65.99851	2.4
66.03493	0.4
67.01886	0.9
68.01385	0.7
68.99808	1.3
71.54262	0.6
76.01927	1.7
78.03486	2.6
80.96510	0.4
82.02959	0.7
83.05015	0.5
83.94402	0.4
89.01441	0.6
92.01420	0.4
92.99783	0.9
94.02979	1.4
95.01398	2.8
97.02930	0.6
104.01440	1.9
104.99790	0.5
105.02177	0.5
106.02998	0.6
108.02168	1.0
109.01725	0.5
109.02950	3.6
119.02478	0.5
119.12872	0.3
120.00880	2.2
121.02946	2.4
122.02477	1.4
123.00861	7.9
125.02419	0.7
126.90489	2.5
132.00925	0.5
133.01674	2.1
135.02008	0.5
136.00443	0.4
137.02429	1.8
138.02124	1.7
138.03197	2.1
150.01945	6.2
151.01465	0.7
153.01941	1.0
153.05537	2.5
153.09225	0.8
153.12878	0.4
163.01459	1.1
166.99821	4.1
167.00877	0.3
167.02162	1.7
168.01645	0.9
169.06543	0.5
179.01051	2.6
180.01738	5.4
182.02187	13.4
189.03709	0.4
196.89465	0.8
197.02019	100.0
197.04459	3.8
197.06024	2.4
197.08147	1.3
197.11726	3.7
198.02357	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03452	0.5
59.01373	0.9
61.98839	1.1
65.00327	0.4
68.99818	0.5
69.03458	1.3
71.05028	1.4
71.43540	0.6
78.95911	0.9
80.96516	0.5
82.03008	0.5
83.05049	0.8
85.02948	0.4
95.01390	1.7
95.05074	0.4
97.02953	0.5
97.06585	13.5
99.08160	3.9
109.02953	1.5
111.08189	0.6
111.79653	0.4
112.04050	0.4
116.92844	0.9
121.02948	2.7
122.03732	1.3
123.00880	8.3
123.04552	0.7
125.02438	0.9
125.09737	0.8
126.03194	0.9
126.90511	2.9
127.00401	0.5
130.99254	0.4
137.02434	0.7
137.09712	2.2
138.03189	2.6
139.00403	0.4
146.76286	0.4
151.11327	1.1
153.01924	1.4
153.05583	2.2
153.12843	100.0
154.13214	3.5
160.84192	0.9
162.83908	3.2
166.99847	6.8
169.12276	0.4
174.88843	0.4
178.99785	1.2
179.10767	23.3
180.11078	0.7
182.02190	13.5
183.02594	0.5
196.89456	1.2
197.00471	0.5
197.02034	2.1
197.04520	5.2
197.06088	1.1
197.07976	0.5
197.09984	0.8
197.11815	12.6
197.15431	0.5
197.80740	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	197.1545
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
54.16524	0.4
57.03228	0.3
57.03442	3.0
57.99977	0.4
59.01357	0.5
61.98821	0.9
65.00349	0.4
69.03442	0.9
69.44745	0.9
69.45153	1.9
71.05010	0.8
73.02953	0.4
78.95880	0.7
80.02673	1.1
81.03453	2.4
83.05029	9.7
85.06616	0.6
95.01393	1.0
95.05025	4.4
97.06582	25.6
109.02967	0.8
109.06585	1.8
111.08153	19.6
115.35365	0.4
116.92867	0.9
121.02936	1.1
123.00883	4.0
123.08139	0.9
125.02477	0.5
126.90488	1.2
135.08156	0.5
137.02376	0.4
137.09706	0.9
138.03192	1.1
147.11804	2.8
149.09705	1.6
153.01991	0.5
153.05577	1.3
160.84236	1.6
162.83896	3.6
163.11284	6.8
165.12831	100.0
166.13164	2.9
166.99843	2.4
174.51308	0.5
178.99835	0.4
182.02173	6.0
187.69876	0.4
196.89436	1.0
196.91010	0.5
197.04500	2.1
197.08049	0.4
197.11836	1.6
197.15492	1.6
197.80771	2.4
209.11826	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	193.0716
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01873	8.5
57.03447	6.9
58.00595	2.6
59.01377	50.9
62.98131	2.7
65.74014	2.3
69.03455	17.5
71.01378	55.6
71.14034	3.3
72.99318	8.1
73.02553	3.9
73.02948	56.8
75.00880	2.9
79.01884	3.6
81.03454	5.5
83.01379	23.2
84.02142	3.8
85.02946	63.6
86.00105	5.9
87.00879	44.8
87.04524	2.7
88.71475	2.0
89.02439	4.6
95.01379	9.6
97.02937	25.1
99.00877	47.9
101.02437	78.6
101.03113	4.3
111.00902	6.1
112.01629	2.7
113.02454	16.3
117.01923	2.6
123.00885	7.1
125.02431	22.4
131.03497	8.4
140.01144	5.3
141.01962	19.0
142.02698	4.1
149.06081	9.9
155.03513	13.5
159.02972	6.2
161.04543	100.0
175.06102	14.4
193.07191	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
50.43799	1.8
55.01874	7.4
57.03432	5.3
58.00599	3.1
59.01376	50.4
62.48530	1.6
69.03472	13.0
70.91298	4.1
71.01381	52.8
72.99310	7.9
73.02943	55.1
75.00894	1.9
79.01889	3.0
81.03464	4.3
83.01389	23.6
85.02951	57.8
86.00097	7.7
87.00867	39.6
89.02412	4.1
95.01392	12.8
97.02952	21.1
99.00881	37.8
101.02440	81.8
107.01405	2.6
111.00880	8.1
112.43490	1.8
113.02446	18.4
115.04012	2.9
117.01942	3.9
121.44051	1.8
123.00867	5.3
124.01624	2.8
125.02419	20.8
129.01910	2.1
131.03520	2.2
133.20963	1.7
134.03728	3.8
140.01176	5.9
141.01949	19.4
142.02654	3.3
143.03381	2.7
149.06061	11.8
155.03503	12.2
159.03015	4.6
161.04547	100.0
163.02681	2.4
166.14616	1.9
171.32780	1.8
173.04634	2.1
175.06119	4.9
178.02690	3.8
187.85870	2.0
191.05621	2.9
193.05331	3.6
193.07162	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0458
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
55.01875	1.0
55.13892	0.8
57.03436	1.3
58.00596	1.1
58.03766	1.3
58.33982	0.8
59.01381	7.5
60.01695	1.3
61.94076	0.8
65.99847	2.0
68.99817	12.0
69.03436	2.0
69.51653	1.6
69.52062	4.2
70.03764	0.9
71.01380	7.1
72.01717	4.8
72.99293	1.5
73.02946	5.7
74.03288	4.3
75.00869	2.5
78.91608	0.8
78.95897	0.8
80.05058	41.6
81.03456	1.4
83.01385	2.6
84.01721	2.0
84.02180	1.0
85.02946	6.5
86.03263	6.1
87.00401	0.9
87.00880	4.6
88.01212	4.3
93.03445	1.4
94.03831	0.8
95.01445	1.2
96.01709	2.0
96.96021	2.2
97.02953	2.0
98.03285	3.7
98.19894	1.4
99.00872	4.7
100.01205	4.9
101.02454	5.0
102.02776	9.9
104.05057	7.0
104.05763	1.5
106.06696	1.3
108.02157	2.0
108.04556	8.4
109.02409	1.6
109.03036	1.4
110.02549	1.7
110.03290	3.1
114.02779	2.2
118.06934	0.8
121.02956	1.4
122.02456	1.0
122.06123	12.8
122.06911	1.6
123.04554	1.8
124.04820	2.4
125.02462	1.2
126.02778	3.2
131.04567	1.2
132.04549	100.0
133.04887	3.5
134.03754	2.3
135.04059	7.2
137.02435	2.1
142.02245	3.4
147.04500	0.9
148.04855	5.2
149.06055	19.0
150.03133	3.0
150.05545	80.2
150.06430	99.4
151.03984	2.2
151.05864	1.5
151.06793	1.1
156.03831	2.4
161.04510	3.1
162.03290	1.2
162.04895	19.0
163.05055	0.8
165.01936	1.1
165.05589	1.3
176.03531	3.4
179.03127	4.9
180.04263	2.4
194.04675	54.2
194.07576	11.0
195.03006	1.1
195.04999	2.9
195.06569	1.3
195.10245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01877	0.5
55.32570	0.2
57.03428	0.4
57.36742	0.2
58.00587	0.3
59.01377	3.4
68.99803	0.3
69.03456	1.5
69.20547	1.2
69.20972	0.6
71.01381	4.8
72.99314	0.3
73.02943	4.0
79.01874	0.3
81.03452	0.9
83.01389	2.2
84.02171	0.5
85.02947	5.3
86.00069	1.1
87.00883	3.5
89.02432	0.4
93.03443	1.0
93.07114	0.2
95.01384	1.1
97.02938	2.1
99.00879	4.0
101.02441	6.9
103.05544	0.7
105.07088	0.4
106.04245	1.2
107.05021	0.3
108.02182	2.9
109.02956	2.6
111.00896	0.7
112.01672	0.4
113.02442	1.5
115.04019	0.3
119.05041	0.6
121.02946	1.1
121.06600	1.9
122.03764	1.7
123.00877	0.6
123.04524	3.0
124.01630	0.4
125.02446	1.8
130.04199	0.9
131.05026	2.2
133.02946	0.2
134.03743	3.8
137.02411	0.6
140.01186	0.6
141.01949	1.7
147.04512	4.3
148.05312	8.8
149.06073	100.0
150.03218	0.6
150.06413	3.1
155.03470	1.2
159.02924	0.3
161.04541	9.2
173.04489	0.3
175.04063	0.2
175.06093	0.5
178.02705	1.6
191.05589	0.4
193.05057	30.5
193.07120	6.0
194.05455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.5
57.03447	6.9
58.00595	2.6
59.01377	50.9
62.98131	2.7
65.74014	2.3
69.03455	17.5
71.01378	55.6
71.14034	3.3
72.99318	8.1
73.02553	3.9
73.02948	56.8
75.00880	2.9
79.01884	3.6
81.03454	5.5
83.01379	23.2
84.02142	3.8
85.02946	63.6
86.00105	5.9
87.00879	44.8
87.04524	2.7
88.71475	2.0
89.02439	4.6
95.01379	9.6
97.02937	25.1
99.00877	47.9
101.02437	78.6
101.03113	4.3
111.00902	6.1
112.01629	2.7
113.02454	16.3
117.01923	2.6
123.00885	7.1
125.02431	22.4
131.03497	8.4
140.01144	5.3
141.01962	19.0
142.02698	4.1
149.06081	9.9
155.03513	13.5
159.02972	6.2
161.04543	100.0
175.06102	14.4
193.07191	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
51.38009	0.2
55.27762	0.2
57.03440	0.6
58.74511	0.2
59.01375	4.1
64.11112	0.2
64.90956	0.2
67.01894	0.3
68.86918	0.2
68.99807	0.4
69.74343	0.4
69.74738	0.6
71.01378	0.4
71.06000	0.2
73.02945	0.7
75.34946	0.2
77.03961	0.5
79.05504	0.5
79.87904	0.2
85.02945	4.2
87.00864	3.9
89.03989	0.3
91.05522	2.9
93.03441	0.6
95.05028	0.8
99.00880	0.2
101.02440	0.2
101.03959	6.1
102.04758	0.3
103.05528	1.9
105.03467	1.7
111.00874	9.1
117.03459	0.9
118.04231	0.2
119.05019	28.0
120.05331	0.7
121.64073	0.2
129.03459	33.9
130.04277	7.2
131.03528	0.4
131.04536	0.4
145.02940	3.2
146.03726	6.2
147.04507	100.0
148.04843	3.3
163.02829	1.0
164.01155	0.6
173.01053	0.4
173.02415	1.4
176.01125	0.7
191.00015	0.2
191.01897	1.0
191.03516	1.9
191.05600	3.0
193.71082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
54.55468	0.6
57.03447	1.5
59.01378	17.3
65.03963	1.2
67.01877	1.1
68.99813	6.5
69.53165	1.5
69.53590	2.5
70.50891	0.6
71.01368	1.5
72.16322	0.6
73.02935	2.9
77.03967	7.5
79.05522	8.3
83.63215	0.7
84.58607	0.6
85.02948	12.8
87.00870	14.1
91.05531	40.7
92.05867	0.8
93.03442	4.7
95.05019	25.8
99.00912	0.7
101.03970	6.7
102.04778	0.7
103.05535	15.9
105.03454	32.4
108.02167	2.0
111.00873	27.3
116.48841	0.7
117.03446	1.4
117.70677	0.7
119.05021	43.7
120.05347	0.7
121.02942	2.8
124.68678	0.6
129.01926	2.1
129.03462	30.5
130.04269	4.6
130.99927	0.6
131.03497	2.4
132.02174	1.0
134.78078	0.6
145.02925	3.3
146.03725	8.4
147.04514	100.0
148.04900	2.2
163.00319	0.6
163.04059	0.8
165.05550	0.8
173.01009	1.0
173.02437	1.9
176.01111	1.5
191.01921	3.8
191.03563	3.4
191.05612	11.2
191.07162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
55.00768	0.3
57.03449	4.9
59.01392	1.9
62.93592	0.4
67.01891	2.0
67.02192	0.4
70.83965	1.1
71.01366	0.9
72.99295	0.8
73.02941	1.2
81.03466	0.4
83.01393	0.7
83.05018	0.7
83.85079	0.4
85.02949	33.3
87.00873	39.9
93.03451	3.4
99.00871	0.8
101.02409	0.9
109.02947	0.9
111.00880	100.0
112.01191	2.0
117.01928	1.1
127.04003	2.2
129.01942	7.2
130.99847	0.9
147.02985	0.5
154.99841	1.6
170.38107	0.4
171.02980	0.6
173.00893	4.1
173.04529	1.8
191.01988	19.5
191.05603	85.5
192.05981	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	193.05
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01869	0.8
57.03433	0.9
58.00576	0.3
59.01379	3.2
69.03442	1.8
69.58567	0.6
69.58998	0.9
71.01378	4.7
72.99305	0.7
73.02943	4.6
77.58960	0.2
79.01890	0.4
81.03447	0.4
83.01373	1.9
85.02947	5.9
86.00098	0.9
87.00874	3.9
89.02445	0.5
89.03967	4.8
95.01389	1.4
97.02934	2.0
99.00874	4.0
101.02448	6.6
101.03112	0.5
106.04226	0.7
108.02137	0.3
111.00859	0.7
113.02464	1.7
115.03982	0.3
117.03458	11.5
118.03841	0.3
121.06596	0.2
123.00847	0.6
125.02470	1.7
128.85368	0.2
129.01947	0.4
131.03539	0.3
133.02982	0.4
134.03738	100.0
135.04051	2.5
137.02448	0.7
140.01125	0.6
141.01947	1.5
143.03552	0.3
148.05342	0.3
149.02403	0.2
149.04901	0.5
149.06082	8.8
150.03241	0.5
155.03513	1.2
159.02957	0.3
161.04550	9.6
175.06064	0.4
176.13701	0.2
178.02745	2.0
191.05611	0.5
193.05063	14.9
193.07159	7.3
194.05391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0564
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
57.03435	4.3
59.01372	2.0
59.94664	0.7
69.55796	1.5
69.56201	3.5
71.05014	1.3
72.00893	2.1
72.04539	6.3
73.02928	2.0
82.02972	3.8
83.01382	9.2
83.05021	1.5
84.00912	2.6
85.02946	2.0
86.02472	2.0
86.06107	6.7
87.84086	0.9
89.34668	0.7
96.04556	8.3
98.02474	81.7
98.06104	3.0
98.19949	1.7
98.57793	0.8
99.02807	1.1
100.04007	1.3
100.07730	0.8
102.05591	1.7
108.04549	3.4
112.04005	5.1
114.05605	86.6
115.05947	1.6
116.07163	14.4
124.04047	12.6
126.05601	12.9
128.03491	1.6
142.05093	100.0
143.05463	1.9
144.06659	45.3
147.06525	0.8
170.04593	2.2
188.05630	64.2
189.04030	1.1
189.05887	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	189.0193
Annotation	3,5-Dihydroxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
59.01404	0.2
65.00331	0.3
65.03972	0.8
68.99815	0.8
70.39133	0.4
70.39502	0.3
77.03990	0.5
89.03970	11.9
90.04320	0.5
91.01877	0.3
93.03486	0.4
95.05038	0.4
98.19978	0.2
99.00890	0.5
105.03463	2.5
115.01925	0.4
117.03456	1.0
123.04531	1.7
125.46227	0.2
127.00378	3.0
132.02164	2.8
133.02962	3.6
143.01402	0.4
143.86476	0.8
145.98233	0.2
149.02490	0.3
160.01659	12.8
161.02435	100.0
162.02768	3.3
189.00441	0.3
189.01918	5.5
189.05501	0.3
190.02356	0.2
209.12152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0193
Annotation	Ayapin
Peak:m/z	Relative Intensity
59.01376	0.6
65.00317	0.4
65.03961	0.5
70.19614	0.7
73.37045	0.2
77.03967	0.5
83.96098	0.2
89.03967	11.8
91.01897	0.4
93.03516	0.2
95.05015	0.8
105.03456	2.8
115.01958	0.3
117.03444	0.7
119.01394	0.3
119.99313	0.3
123.04518	1.6
127.00378	0.2
129.36711	0.2
132.02170	3.3
133.02971	4.0
137.68593	0.2
141.36145	0.2
143.01379	0.5
149.02428	0.4
153.42017	0.2
160.00291	0.3
160.01659	12.3
161.02432	100.0
162.02776	4.5
162.04059	0.4
182.64078	0.2
189.00327	0.4
189.01935	6.2
189.07484	0.3
205.59935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1131
Annotation	CHEBI:79257
Peak:m/z	Relative Intensity
51.87791	0.2
52.21287	0.3
55.61193	0.2
59.01362	1.0
68.99812	0.9
69.34204	2.2
71.01377	0.3
83.01363	0.4
89.03968	2.1
93.03423	0.3
99.00866	1.0
101.02437	0.3
105.03484	0.6
111.00861	0.3
117.03455	1.4
120.04504	0.3
123.04507	0.5
125.09732	1.2
127.00373	4.1
127.11273	2.7
129.05597	0.4
132.02173	0.5
133.02951	1.0
145.02974	0.6
147.06601	0.5
151.03394	0.3
153.09212	0.6
153.54324	0.3
159.04465	0.5
160.01651	2.5
161.02432	20.4
162.02834	0.9
170.89030	0.3
171.10258	100.0
172.10587	3.3
174.03171	0.3
189.01865	2.6
189.05556	0.7
190.02606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03448	6.0
59.01366	2.2
67.01892	2.5
71.01387	1.2
71.16638	0.3
71.21407	0.7
72.99318	0.7
73.02943	1.6
80.77812	0.3
82.09210	0.4
83.01386	0.5
83.05095	0.3
85.02948	31.4
86.03271	0.4
87.00874	43.1
88.01199	0.6
93.03456	1.9
99.00890	1.2
99.04562	0.3
100.56100	0.3
101.02445	1.3
103.89745	0.4
111.00879	100.0
112.01221	1.3
117.01949	1.0
122.40679	0.3
127.03990	1.1
129.01944	6.5
129.05585	0.5
130.99844	0.8
144.29924	0.4
147.02946	0.5
147.04588	0.4
154.61134	0.3
154.99875	0.8
171.03055	0.5
173.00917	3.2
173.04538	0.9
191.01981	16.2
191.05600	36.6
192.05934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03447	6.0
58.50702	0.3
59.01371	1.5
60.50152	0.3
67.01879	2.2
70.63323	0.8
71.01385	0.5
85.02946	30.8
85.66016	0.4
86.03293	0.4
87.00874	42.8
88.01214	0.5
91.05528	0.9
93.03462	0.7
101.02435	0.6
102.01683	0.3
103.04008	0.4
111.00880	100.0
112.01235	2.0
119.04958	1.0
129.01942	6.6
129.03481	1.0
130.06909	0.3
130.99884	0.9
147.03426	0.5
147.04507	3.3
149.07101	0.4
154.99921	0.6
173.00870	3.5
191.01982	16.5
191.05615	11.7
209.22717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31310	0.6
57.03441	5.7
59.01368	2.2
60.26074	0.6
65.94348	0.6
67.01884	2.1
70.86008	1.7
71.01399	1.1
72.99287	1.3
73.02953	1.5
73.33308	0.6
85.02947	32.0
87.00874	39.3
93.03440	3.5
93.34245	0.6
101.02418	0.8
111.00878	100.0
112.01218	2.7
117.01873	0.9
127.04019	1.3
129.01939	7.0
130.99857	1.2
154.99870	1.3
173.00908	4.2
173.04514	1.2
187.64124	0.8
191.01970	18.1
191.05597	58.3
192.05922	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03446	1.1
58.81877	0.3
59.01375	7.9
67.01885	0.9
68.99811	0.4
69.93347	0.6
69.93729	0.8
71.01377	0.4
73.02966	1.6
85.02947	6.3
87.00873	8.5
91.01893	0.3
93.03446	1.1
98.19931	0.3
101.02427	0.3
102.12751	0.3
103.03995	0.3
111.00880	19.9
119.05001	1.8
121.02950	100.0
122.03285	2.3
129.01949	1.2
131.03542	0.6
147.04510	7.3
148.01631	0.5
163.00330	0.7
163.04022	1.3
173.00853	0.4
176.01152	1.5
190.99976	0.3
191.01938	2.1
191.03506	9.4
191.05586	3.7
192.03911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
57.03432	11.3
58.13461	8.1
61.34700	6.1
67.01881	13.4
67.32573	5.9
68.99572	22.4
69.03484	7.3
69.33919	19.2
69.34337	35.7
81.07059	7.9
83.05024	40.9
95.01387	14.1
97.64533	6.2
99.04514	28.9
111.00889	42.1
112.98580	21.7
121.10217	16.6
124.98866	7.3
137.09676	7.7
138.42616	6.8
139.00323	17.2
139.04012	8.2
139.07649	8.6
139.11267	21.0
151.00426	7.8
152.98308	9.1
164.98312	11.9
165.01962	7.8
165.09216	9.8
168.00581	17.9
182.99168	9.3
183.00591	9.8
183.03001	22.9
183.10242	100.0
183.13858	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	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
70.91591	0.3
80.26131	0.1
84.81757	0.1
87.36446	0.1
111.00885	0.4
111.08099	0.2
112.98535	0.1
127.28378	0.1
137.09740	0.2
139.00339	0.3
140.07253	0.1
164.98253	0.2
182.03557	0.1
183.00726	0.2
183.13885	100.0
184.14211	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.91318	0.2
55.43332	0.1
56.51101	0.1
70.05227	0.3
70.05620	0.4
76.07248	0.1
76.42715	0.1
88.03920	0.2
111.00849	0.3
112.87939	0.1
165.63417	0.2
182.99350	0.2
183.13885	100.0
184.14223	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	187.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26601	0.5
56.07935	0.6
57.03437	0.8
59.01375	77.0
59.70171	0.5
61.98828	6.8
68.99837	0.8
71.01373	0.7
71.52557	0.8
71.75227	0.5
75.00838	0.5
81.13698	0.5
85.71954	0.5
97.06582	1.5
99.03067	0.7
113.06052	0.7
115.02518	4.8
117.00439	7.2
125.06181	0.6
125.09714	9.8
131.05046	0.5
140.87160	0.7
141.86816	6.1
142.89365	1.9
143.01999	3.1
143.04999	0.6
144.10573	0.6
144.99904	1.7
153.30859	0.7
154.75572	0.6
159.01485	100.0
159.87869	2.5
160.01569	4.3
168.88895	1.3
187.00984	15.7
187.03957	3.9
187.06047	1.1
187.07968	0.7
187.09753	6.1
187.13399	1.8
188.00714	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	187.0247
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
57.03435	1.4
57.45333	0.4
57.52596	0.4
58.00583	1.2
59.01376	14.5
64.02489	0.4
65.00303	0.4
67.01888	10.3
68.99806	1.4
69.03429	0.6
71.00450	0.8
71.01371	1.8
71.05019	1.7
72.99304	2.1
73.02946	17.2
73.04059	0.9
79.95716	0.5
81.03455	1.7
81.07097	0.4
83.01382	2.3
83.05024	2.5
85.02943	1.3
87.00871	0.6
87.04530	0.4
93.03457	0.5
95.05038	0.7
96.99327	0.4
97.03001	0.5
97.06589	5.4
98.02460	0.5
99.00886	3.0
99.04506	7.5
99.08167	0.6
107.04975	0.5
111.00877	100.0
112.01223	1.7
113.02443	0.6
113.04415	0.5
113.06092	1.1
115.04040	4.0
116.03557	0.5
116.07145	2.1
117.03447	0.7
125.02483	2.4
125.06078	38.9
125.09710	6.1
126.06432	0.8
127.00373	0.6
127.04007	3.4
130.08751	2.1
141.05579	0.7
141.86743	0.7
143.03499	15.8
143.04657	0.6
143.07133	10.1
143.11871	1.6
144.04555	1.4
154.99870	1.0
159.03079	0.6
159.04504	1.5
160.04013	0.6
168.88893	1.7
169.01364	0.5
169.05064	4.5
186.95551	0.4
187.02507	0.9
187.04022	4.6
187.06120	16.5
187.07681	0.7
187.09572	4.1
187.11142	0.7
187.13383	0.8
188.03552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.40091	0.2
52.86175	0.2
56.91621	0.2
59.01362	0.4
62.56871	0.2
65.05124	0.2
65.99854	0.2
70.69398	0.6
82.60751	0.2
85.52695	0.1
89.03971	1.3
102.03522	0.6
105.03464	0.2
116.05040	0.2
117.03456	0.2
132.02176	0.3
133.02975	0.4
141.86877	0.2
143.03888	0.2
144.04546	100.0
145.04887	3.1
159.03287	0.9
160.01622	1.3
161.02432	11.8
188.03516	5.0
188.05179	0.2
189.01910	1.0
189.03778	0.2
192.30898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
58.02964	6.4
59.01381	37.3
69.03459	2.8
69.44941	8.0
69.45348	3.4
70.02948	1.6
71.01382	3.9
71.05015	6.6
72.00895	2.6
72.04545	4.5
72.85664	1.5
72.99313	12.6
73.02943	5.7
73.94897	1.3
75.00864	4.1
82.02995	2.6
83.01382	10.3
83.05029	6.7
84.00940	1.5
84.99454	1.3
85.02940	4.8
85.06572	4.3
86.02480	3.9
86.06135	6.6
87.00871	3.0
89.03954	1.9
96.04536	8.8
97.02950	5.8
98.02473	85.9
98.06121	3.4
99.00880	6.6
99.04538	2.5
100.04061	2.5
100.07670	4.9
101.02441	1.5
101.06072	6.3
102.05630	7.2
108.04562	4.4
112.04032	6.3
114.05604	80.2
114.09241	6.0
115.04005	1.5
115.05949	2.9
116.07182	24.3
117.03445	2.3
124.04050	12.2
126.05617	15.0
127.04033	2.4
128.03517	4.3
129.01987	2.7
129.05583	51.9
133.02951	4.0
141.13033	1.5
142.05096	100.0
142.08696	8.0
143.05408	1.9
144.04744	3.3
144.06664	49.0
144.10358	1.8
145.02972	1.9
145.05016	1.7
147.06624	67.2
160.01662	3.6
160.04128	1.8
161.02429	26.5
166.64348	1.4
171.02985	4.7
188.05635	77.2
188.09262	14.7
189.01956	6.3
189.04039	7.7
189.05600	1.7
189.07715	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	179.056
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
59.01378	32.2
71.01379	19.5
71.05016	2.6
71.34305	1.2
72.99305	12.3
73.02946	8.7
73.11095	1.0
75.00871	100.0
81.03464	5.8
82.37937	0.9
83.01391	1.9
85.02946	5.7
87.00876	10.5
88.17678	1.0
89.02447	15.4
97.02935	1.4
99.00888	6.8
99.04502	1.3
101.02438	3.0
113.02448	2.2
116.37849	1.1
118.96507	1.1
125.02438	1.1
125.47366	0.9
131.03484	2.2
143.03488	12.8
158.63339	0.9
161.04555	12.3
179.05606	71.9
180.05972	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	182.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64997	0.2
69.62733	0.7
69.63144	0.9
80.63779	0.3
92.05061	3.6
94.02982	1.1
96.96017	0.5
106.02972	0.3
108.04555	49.8
109.04891	0.9
110.06107	0.7
111.04494	0.3
120.04559	5.0
122.02477	0.9
123.03276	1.2
129.39793	0.3
136.04036	0.9
138.05606	100.0
139.05960	2.4
143.81389	0.2
152.03519	1.4
154.26872	0.3
167.08684	0.2
182.04570	29.2
183.03101	0.3
183.04878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96433	0.2
52.60729	0.2
56.72444	0.2
56.73786	0.3
57.36213	0.2
59.01370	0.6
61.98824	0.3
70.37720	0.6
79.95728	0.4
86.80112	0.2
95.75348	0.3
95.95242	0.3
98.04008	0.2
111.01240	0.3
112.98264	0.2
119.93754	1.0
134.96085	57.2
135.96133	2.8
136.94005	100.0
137.94069	5.2
151.92712	14.2
152.39323	0.3
152.92821	0.7
178.95053	79.6
179.95137	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	179.035
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
55.01861	1.8
57.03445	3.1
59.01378	52.5
63.02394	11.9
65.00320	5.5
69.03468	3.0
69.14511	1.8
71.01381	48.3
72.99301	3.8
73.02945	4.9
73.05881	1.8
77.03983	2.3
83.01402	10.4
85.02935	12.4
87.00878	55.2
89.02448	20.5
91.05534	4.1
93.03466	7.8
94.03035	1.6
95.01432	2.5
97.02943	5.4
99.00884	12.7
101.02469	9.1
107.01382	16.5
107.05032	100.0
108.02165	5.3
108.05336	3.4
109.02974	12.2
113.02462	5.0
116.67661	1.8
117.01972	10.7
121.02946	27.3
123.00861	2.2
125.02432	7.8
133.02956	4.5
134.03783	14.0
135.02887	2.6
135.04526	68.0
135.08171	2.3
136.01624	2.0
136.04861	2.8
141.01921	5.4
147.00925	3.8
149.02399	3.2
149.10783	2.0
151.00378	25.8
151.03992	7.6
161.04550	32.8
164.01135	3.1
164.04774	4.5
165.30446	1.7
169.01407	4.5
177.04007	2.1
178.99919	19.4
179.01923	3.6
179.03477	47.9
179.05588	34.7
179.07115	7.4
179.10756	1.9
179.92505	2.2
180.03607	2.2
182.19833	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	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.2
59.01376	9.3
68.99807	0.3
71.01382	1.5
75.00875	0.4
77.03971	1.1
81.03455	1.8
83.42647	0.2
85.02966	0.4
87.00874	0.4
89.02454	0.5
89.03964	7.2
91.90041	0.2
93.03466	1.6
95.05013	0.9
95.24615	0.2
99.00898	0.4
105.03455	13.0
106.03768	0.3
107.01399	0.6
109.02946	0.5
115.00362	0.4
117.03364	0.2
121.02972	1.5
123.04544	0.2
129.01945	0.5
133.02957	27.1
133.06529	1.0
134.03267	0.5
135.04500	0.2
139.03995	0.6
149.02451	3.3
162.01947	0.3
162.03230	4.2
177.01921	100.0
177.09200	0.6
178.02255	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	177.0557
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
57.03438	6.1
59.01377	45.1
71.01392	12.6
71.21837	6.1
72.99297	3.1
73.02950	3.3
85.02956	8.4
87.00862	21.7
87.04514	19.9
99.00886	5.3
115.00372	12.0
115.04009	6.5
117.03465	3.0
129.01932	6.5
131.05037	13.4
131.07124	4.5
132.05774	4.4
133.05119	16.2
133.06595	100.0
134.06927	4.2
147.04530	3.8
159.03026	4.5
162.03227	10.6
177.01883	5.0
177.04115	6.4
177.05534	44.6
177.07703	29.5
178.03693	9.1
188.64648	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
55.72727	0.4
59.01377	90.5
60.01714	0.9
67.01891	1.1
67.31516	0.6
69.55317	3.3
85.06586	20.5
91.60632	0.5
93.03458	3.6
97.80370	0.4
98.20629	0.8
102.45529	0.5
104.17876	0.4
111.04535	0.7
113.06087	15.5
131.07137	100.0
132.07455	2.6
173.04541	2.2
173.08257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
69.44006	1.1
69.44412	0.4
72.55904	0.2
75.99239	0.2
77.03957	0.9
81.03450	2.4
85.16272	0.2
89.03963	7.3
93.03437	1.2
95.05014	1.0
98.20600	0.4
105.03453	12.5
106.03786	0.3
107.01376	0.8
109.02963	0.3
121.02977	1.1
133.02951	24.5
134.03282	0.7
139.04028	0.3
149.02441	3.2
150.02991	0.2
160.37357	0.2
162.03186	0.5
171.15115	0.2
177.01915	100.0
178.02251	3.3
197.05801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23817	0.1
59.01376	3.1
59.37416	0.1
63.02388	1.9
65.00318	1.8
65.03947	0.3
67.01880	1.0
68.99818	0.5
71.01369	0.5
71.54178	0.2
72.99330	0.2
73.39425	0.1
77.03956	0.5
85.02927	0.2
89.00343	0.6
89.03972	4.0
91.01893	3.8
93.03465	0.2
95.05032	0.6
98.31947	0.2
99.00861	0.2
105.03473	1.3
107.01376	1.7
109.02948	2.1
115.01906	0.2
121.02934	0.8
123.04536	1.0
129.01930	0.3
132.02184	0.2
133.02966	6.0
133.06628	0.2
135.00896	2.8
147.00885	0.2
149.02448	1.4
151.00366	0.3
162.03235	1.8
177.01927	100.0
178.02278	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	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
53.00313	0.9
55.01874	6.0
55.20130	0.8
56.89370	0.9
57.03442	4.7
58.00583	1.0
58.02972	1.0
59.01378	5.8
65.03947	1.3
67.01897	5.3
68.99833	2.1
69.03452	1.5
69.37894	2.7
69.38294	3.5
71.01376	60.6
71.05025	0.8
72.99297	5.0
73.02944	23.4
79.95694	0.9
81.03449	3.6
82.03004	0.9
83.01384	7.5
83.05022	10.2
85.02947	100.0
85.06615	1.6
86.03297	1.2
87.00858	6.1
88.03996	1.0
93.03452	46.2
93.99281	0.9
96.99312	2.1
99.00875	24.2
99.04491	5.2
100.07671	1.0
101.02450	3.0
106.57508	0.8
111.00876	54.2
111.04516	17.8
112.01218	1.3
112.98804	21.6
115.00336	1.9
124.98802	13.4
128.07193	1.1
129.01933	20.3
129.05556	3.5
130.05119	1.0
137.02454	9.4
142.99860	36.0
143.03508	2.5
144.00356	0.9
146.26910	1.0
154.99849	3.4
155.03526	7.5
173.00890	11.1
173.04529	15.0
174.07614	0.9
186.44168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
53.00302	2.0
53.82383	0.8
55.01871	4.8
57.03445	4.9
59.01374	9.1
61.50634	1.0
67.01890	5.1
68.99816	3.5
69.03465	1.7
69.60475	6.3
71.01382	72.0
71.05004	1.3
72.99309	7.0
73.02947	23.9
81.03457	3.1
82.31323	1.1
83.01382	9.5
83.05026	11.3
85.02950	100.0
85.06609	1.7
86.06145	1.2
87.00861	6.0
88.04069	1.4
93.03458	50.9
96.99331	2.3
98.20660	1.4
99.00875	27.6
99.04525	6.5
101.02466	2.9
109.02950	2.0
111.00880	55.0
111.04522	22.6
112.98810	26.5
113.02425	1.3
115.00387	2.7
124.98798	20.7
128.07158	1.7
129.01947	18.0
129.05562	3.9
137.02444	10.4
140.98346	1.2
142.99858	39.5
143.03468	1.9
154.99905	2.1
155.03499	5.6
173.00911	10.6
173.04544	17.4
174.07755	1.2
174.11241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
51.61008	1.3
52.69641	1.3
53.00305	2.3
55.01878	6.2
57.03444	5.3
59.01381	9.3
67.01889	4.9
68.99812	3.4
69.86887	5.0
71.01380	100.0
72.99303	6.6
73.02946	10.8
80.99831	1.7
83.01402	9.2
83.05022	3.1
85.02954	13.8
85.06583	1.7
87.00872	4.0
89.75071	1.2
93.03466	16.0
94.74969	1.3
96.99314	4.6
99.00880	43.7
99.04512	2.0
101.02467	1.2
111.00870	14.1
111.04536	6.2
112.98808	51.5
113.02480	1.3
115.00378	6.6
124.98811	26.4
129.01956	3.7
137.02441	1.7
142.99858	62.5
145.01414	1.3
155.03574	2.7
173.00903	12.3
173.04535	11.3
173.08145	3.8
192.14153	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
62.14846	0.4
64.23799	0.4
69.70296	2.0
98.20544	0.8
125.09729	2.4
127.11277	5.1
136.07066	0.4
153.09203	1.6
171.10262	100.0
172.10631	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02724	0.2
58.02962	1.0
59.01374	3.5
59.01645	0.2
67.01887	1.2
69.06606	0.2
69.70820	0.4
69.71232	0.9
71.01383	0.6
73.02976	0.4
82.06644	0.5
85.02980	0.4
85.06612	0.7
93.03462	3.9
111.00901	0.6
111.04519	0.7
112.23535	0.2
113.06077	0.6
114.80601	0.2
121.60194	0.2
128.10817	2.7
130.08731	100.0
131.07137	3.9
131.09065	2.2
137.02328	0.3
144.04578	0.5
172.09761	15.5
173.04544	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
55.01881	6.8
57.03438	5.2
59.01370	12.9
61.56537	1.1
66.64684	1.2
67.01891	8.3
68.99808	3.7
69.03464	2.8
70.17622	4.2
71.01378	100.0
71.05012	1.3
72.99305	12.9
73.02958	13.9
79.64508	1.2
80.99789	1.1
81.03422	2.0
83.01395	11.0
83.05032	7.5
85.02950	13.0
85.06586	8.8
87.00880	9.6
87.68463	1.3
93.03454	30.0
96.99308	3.7
99.00877	39.9
99.04527	5.6
101.02447	2.9
111.00880	42.9
111.03742	1.5
111.04513	31.7
112.98810	39.2
113.02437	2.6
115.00370	3.8
118.12936	1.3
124.98801	26.0
129.01926	3.7
129.05577	9.5
137.02414	5.9
142.99854	67.9
154.99886	2.2
155.03511	16.1
173.00867	15.2
173.04536	25.8
173.08148	6.7
193.07819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	100.0
59.03321	0.4
65.00313	0.3
66.03507	0.3
68.99821	0.8
69.03454	0.6
69.70120	1.4
70.02984	0.5
79.01903	0.3
80.32400	0.2
81.03471	0.5
83.69553	0.3
94.06174	0.2
95.46331	0.3
96.04568	0.2
96.99276	0.4
97.02956	1.1
108.02172	0.3
109.02534	0.4
122.89396	0.3
124.03978	0.3
125.02444	14.0
125.09702	0.3
132.86749	0.5
140.98279	0.2
141.27585	0.2
151.00352	0.5
151.11258	0.4
153.01463	0.7
168.04008	0.4
168.06633	0.7
168.13924	11.9
168.83604	1.3
168.99036	1.5
169.01399	5.7
169.08658	0.2
169.14302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03444	18.7
65.00318	2.0
67.01830	1.2
69.03452	3.8
69.22614	1.3
70.78920	3.1
71.05021	2.1
75.00865	1.7
77.03961	3.8
80.02690	4.2
81.03449	11.6
83.05020	29.0
89.02468	1.2
90.01028	1.4
91.01910	4.1
92.99818	1.5
93.03448	10.0
95.01398	1.7
95.05026	16.7
97.06584	33.9
107.05012	2.7
109.02909	2.3
109.06551	6.2
109.12017	1.4
111.08154	43.9
119.05053	2.3
121.02948	100.0
122.03274	2.3
123.04499	5.7
123.08141	2.2
137.02420	5.5
137.09743	2.7
138.05647	2.4
142.20047	1.3
147.04555	4.5
147.11771	2.2
149.00952	2.0
150.03218	5.5
151.00356	1.9
163.11273	13.6
164.89462	1.4
165.01921	18.8
165.04196	3.0
165.05580	10.2
165.12834	86.5
166.05075	2.6
166.13177	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	166.0509
Annotation	Orthoform
Peak:m/z	Relative Intensity
50.51705	0.2
56.90790	0.2
66.03474	0.8
69.53693	1.0
77.85825	0.2
81.03441	0.2
91.01885	0.6
93.03458	0.6
94.02971	0.4
95.01384	1.7
95.05002	0.4
98.20666	0.2
108.02168	3.7
108.04554	0.6
121.02953	9.9
122.02454	0.2
122.03272	2.7
122.06102	0.6
123.00883	1.4
123.04515	3.1
124.04059	0.2
136.05299	8.6
137.05678	0.2
138.01958	0.3
138.05550	0.3
139.00345	0.2
149.02402	0.3
149.69281	0.2
151.00406	1.2
151.02736	18.9
152.01143	9.2
152.03018	0.3
166.05078	100.0
166.99850	0.5
167.03477	3.4
167.05402	3.3
183.01707	9.1
184.02115	0.3
188.75098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
51.91310	0.2
53.44582	0.2
66.03497	0.7
66.51740	0.2
67.01902	0.2
70.07246	0.5
80.05093	0.4
81.03456	0.2
83.01408	0.2
91.01887	0.3
93.17239	0.2
94.03000	0.3
94.21899	0.2
95.01407	1.1
108.02170	4.6
108.04574	0.4
109.02982	0.3
112.08609	0.2
119.32591	0.2
121.02976	0.6
121.05315	0.2
122.02503	0.4
122.03286	1.9
122.06126	0.7
123.00903	1.0
123.04523	3.3
124.04034	0.2
125.02423	0.3
135.04514	0.8
136.05296	23.8
137.05650	1.0
138.05609	0.3
139.00401	0.3
139.04013	0.3
149.02478	0.3
151.00383	0.7
152.01151	9.0
166.05084	100.0
166.99843	0.4
167.03503	3.6
167.05423	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	163.1121
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
58.72656	1.1
60.92944	1.2
61.98828	14.2
71.01352	1.1
80.34457	1.4
85.61781	1.1
89.37653	1.2
91.01876	1.9
93.03453	2.3
98.20641	3.5
105.01855	1.2
106.44258	1.3
116.92113	6.6
117.91899	2.1
118.99260	12.4
119.05020	54.7
120.05399	1.9
147.08139	1.8
157.92134	1.1
162.91342	1.7
163.00365	3.9
163.03992	5.9
163.05078	1.2
163.11273	100.0
164.11604	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.38444	0.5
50.60087	0.4
51.41591	0.6
55.16433	0.6
59.01389	0.6
69.45705	3.7
72.00906	38.3
75.00854	3.7
87.00860	3.1
91.05515	2.6
103.05532	7.2
105.01946	2.1
119.05025	2.0
120.05373	2.0
121.02930	4.8
122.03748	0.8
123.04511	3.4
137.02531	0.6
146.06117	0.9
147.04512	100.0
148.04845	3.7
150.03163	1.1
164.07152	57.3
165.01964	0.9
165.04018	2.5
165.05553	1.8
165.07455	2.4
170.24832	0.5
180.21703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
69.17015	0.4
70.83869	0.9
75.00869	1.2
77.03972	1.9
82.32132	0.4
87.00882	1.1
91.01893	1.9
93.03453	2.3
104.66455	0.4
105.01909	0.7
109.02938	1.5
119.05033	0.5
121.02957	100.0
122.03258	2.3
123.04533	1.3
135.04497	0.5
137.02463	1.1
147.04510	0.5
150.03238	1.2
165.01936	12.2
165.04106	0.9
165.05571	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	165.0404
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
51.00199	0.5
55.01876	5.0
57.03440	0.6
59.01377	7.5
70.26398	2.1
71.01381	7.4
72.99297	7.5
73.02940	1.7
75.00870	100.0
76.01218	1.4
83.01385	0.7
85.02939	0.8
87.00874	60.0
88.01177	0.8
89.02447	2.7
90.16276	0.6
97.43336	0.7
99.00874	8.6
101.02444	3.6
105.01932	45.7
106.02279	0.6
117.01909	3.9
117.14706	0.7
119.03471	1.0
122.54021	0.6
123.04552	2.9
123.05313	0.6
129.01941	11.0
135.03012	1.5
147.02989	8.6
164.89897	0.7
165.04041	64.9
165.05345	2.1
166.04361	2.9
172.05229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
55.01871	1.3
57.03436	0.5
57.70652	0.4
59.01375	3.9
64.72014	0.4
65.00314	0.6
66.71951	0.3
67.01889	0.5
71.00816	0.7
71.01379	3.5
72.99302	3.3
73.02949	1.1
75.00869	31.1
77.03968	1.1
78.95968	0.4
79.95721	0.7
81.03465	0.9
85.02946	1.1
87.00874	27.1
88.01183	0.4
89.02444	1.6
91.01890	1.5
92.99856	0.4
93.03455	2.3
94.02980	0.5
95.01411	0.7
95.05005	2.9
99.00871	3.5
101.02450	1.1
102.07130	0.3
105.01932	23.1
105.03455	1.0
106.02316	0.4
108.02176	1.6
108.04553	2.7
109.02939	2.2
117.01939	1.2
119.05009	0.6
121.02953	18.6
122.03748	13.7
122.06120	0.5
123.04521	100.0
124.01654	1.2
124.04853	3.2
129.01947	4.3
133.02951	4.3
135.03030	0.6
135.04530	0.9
136.01674	0.4
136.04056	0.5
137.02454	4.0
137.06096	0.8
138.05638	2.4
140.81277	0.4
147.03000	3.4
147.04372	0.8
148.04039	0.7
149.00894	0.4
150.03232	6.6
154.02689	2.3
164.89783	1.3
165.02000	4.3
165.04050	31.1
165.05562	50.0
165.09148	0.9
166.02415	0.4
166.04884	1.1
166.05930	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	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	25.6
58.91225	0.4
59.01379	1.0
65.00319	0.9
66.03477	0.6
67.01910	0.5
69.03455	1.1
69.92888	1.5
69.93304	0.7
71.01373	1.1
71.05020	3.2
72.99306	0.7
74.28538	0.4
75.00871	0.9
77.03975	2.1
81.03461	1.5
83.05022	5.9
87.00850	0.4
91.01898	1.6
92.99790	0.6
93.03463	3.0
93.07088	0.9
93.99312	0.5
95.05016	1.7
97.06583	4.4
107.05011	0.8
108.02201	0.7
109.02939	1.4
109.06582	3.4
111.08154	46.6
112.08515	1.6
119.05032	0.9
119.53432	0.5
121.02951	38.0
121.06627	0.5
122.02475	0.7
122.03310	1.8
122.06125	0.6
123.04560	2.3
123.08163	0.6
135.04491	0.8
137.02466	2.3
137.09758	0.9
147.04518	1.4
147.11772	1.4
149.09637	0.5
150.03239	1.8
159.06244	0.4
159.39525	0.4
163.11288	1.4
164.83604	0.6
164.89561	0.7
165.01924	7.8
165.04091	0.9
165.05560	3.2
165.12833	100.0
166.05087	0.9
166.13159	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	165.0556
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
53.36111	0.4
58.12952	0.4
65.42361	0.4
69.21381	3.2
72.99306	29.1
75.00880	1.0
77.03972	0.5
87.00891	1.0
91.01881	0.8
91.05534	2.1
93.03469	0.9
101.03976	1.6
103.05529	5.0
105.01964	1.0
107.72208	0.4
109.02940	0.7
117.03513	0.5
119.05025	31.7
120.05344	0.9
121.02950	6.7
122.52083	0.5
123.00876	0.5
123.04523	0.8
125.44176	0.5
134.50204	0.4
135.04492	0.4
137.02432	1.0
147.04515	100.0
148.04865	4.2
150.03258	0.5
151.00388	1.6
164.29536	0.4
165.01892	1.5
165.04271	1.2
165.05562	32.5
166.05859	0.8
178.32561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01865	0.7
57.03450	1.8
58.00560	0.4
59.01377	7.4
63.02396	0.7
63.32713	0.3
65.00309	1.2
65.03979	1.8
68.10936	0.3
69.10942	0.4
69.73787	1.1
69.74204	0.8
71.01379	6.9
72.99306	1.0
73.02948	6.6
77.03970	1.9
81.03449	1.1
83.01365	2.2
85.02945	8.3
87.00866	1.6
87.73980	0.4
89.02477	1.8
89.03967	29.9
90.04281	1.1
91.01881	1.7
93.03466	0.5
95.05019	1.1
97.02950	0.8
99.00883	0.6
99.04520	0.6
101.02438	2.4
105.02794	0.7
105.03455	6.4
113.02444	2.0
115.01898	1.0
117.03494	2.2
119.01369	0.6
121.02938	0.7
123.04506	4.8
125.02440	0.4
131.03470	3.5
132.02167	10.0
133.02950	12.5
134.03746	0.6
143.01384	1.7
143.58025	0.3
160.01651	32.8
160.89293	0.4
161.02432	100.0
161.04588	4.9
161.89430	0.4
162.03033	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0608
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
55.01866	1.9
57.03446	7.0
58.00580	2.2
59.01377	30.9
60.01716	0.8
69.03447	3.2
71.01381	29.8
72.99316	4.8
73.02940	30.4
74.03294	0.8
75.00869	2.3
77.03954	0.9
81.03460	4.7
83.01381	10.4
84.04543	2.4
85.02947	38.0
87.00870	6.6
89.02444	8.7
89.03965	5.8
91.05530	31.1
92.05845	1.2
93.03481	0.9
95.01379	1.9
95.04975	1.0
97.02956	3.8
98.19830	1.0
99.00895	2.6
99.04527	2.8
101.02434	10.9
103.03976	0.9
105.03477	0.8
113.02450	8.8
115.05544	0.9
117.03490	4.0
117.07101	51.0
118.03010	1.7
118.07413	3.4
123.04533	4.2
125.02442	2.4
131.03499	15.2
132.02155	1.9
133.02963	15.5
133.06546	0.9
133.98718	0.6
135.04532	3.5
136.43367	0.7
143.03450	0.9
160.01660	5.0
160.89268	1.4
161.02441	100.0
161.04570	19.6
161.06081	34.9
161.08247	1.2
162.02960	5.1
162.06415	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	161.0243
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
50.64143	0.2
59.01370	0.5
63.52527	0.2
65.00323	0.4
70.83808	0.7
71.01380	0.4
73.02930	0.4
77.03971	0.4
85.02935	0.4
89.03960	0.9
95.05012	0.7
105.03442	0.6
117.03453	2.8
123.04512	3.0
133.02950	14.7
134.03262	0.5
161.02428	100.0
162.02771	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01873	2.0
57.03444	18.4
58.70047	1.1
59.01380	29.9
67.36276	0.9
69.03442	2.5
70.64579	1.9
70.64907	1.3
71.01382	19.9
71.04637	1.8
71.05018	28.6
72.99294	2.9
73.02946	17.9
75.00864	2.7
81.03439	2.5
83.01389	7.6
85.02940	21.2
87.00871	39.2
89.02430	4.1
89.03971	1.9
93.13659	0.9
97.02959	4.9
99.00877	4.4
99.04515	60.0
100.04868	0.9
101.02442	100.0
113.02450	3.8
115.04002	6.0
115.07639	4.4
117.04883	1.3
117.05581	9.6
125.02398	1.1
131.03458	5.4
132.02086	1.1
133.02966	2.4
143.03488	20.6
160.01634	2.1
161.02547	12.2
161.04543	59.3
161.08180	6.5
162.03175	1.3
162.04782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0662
Annotation	1,3-Diacetoxypropane
Peak:m/z	Relative Intensity
52.39590	0.5
54.18110	0.5
55.01883	1.5
57.03443	2.2
58.02976	2.6
59.01376	97.9
60.01715	1.2
61.98829	1.2
64.28540	0.5
65.96429	0.5
68.99812	0.6
69.03461	1.0
69.29978	4.3
71.01379	4.3
71.05014	14.2
73.02940	2.8
74.02486	2.0
83.01377	1.4
85.02951	3.7
86.06116	2.3
87.00886	1.9
87.06429	2.6
88.04012	1.0
97.02942	6.4
98.02463	0.6
99.00865	3.7
99.04514	15.7
101.02438	2.5
111.00869	1.4
112.04047	1.4
113.02476	1.2
113.04373	4.4
114.05608	1.7
115.04013	1.8
115.05943	1.2
115.07692	0.7
116.03516	0.5
116.07188	1.7
117.05571	100.0
118.05144	0.6
118.05929	2.0
128.49527	0.5
129.01927	2.6
141.01936	1.3
141.88924	0.6
142.89101	0.9
158.85144	0.5
158.89294	14.2
159.02991	5.9
159.04868	1.7
159.06595	2.3
159.08607	0.7
159.10236	0.6
159.88004	1.0
159.89371	20.3
160.04025	0.6
160.06126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.75832	0.4
55.01868	1.2
57.03444	5.3
58.00587	1.0
59.01377	22.5
63.02394	0.8
65.00306	1.2
65.03944	1.3
68.23678	0.4
68.99836	0.4
69.03470	2.3
70.54348	1.0
71.01374	21.1
71.05012	0.7
72.99307	2.6
73.02943	20.0
73.03358	0.9
74.60204	0.4
75.00833	1.9
77.03951	0.8
81.03452	3.8
83.01381	7.1
84.02130	0.5
85.02944	28.0
86.03291	0.5
87.00872	6.5
87.04535	0.6
89.02448	6.7
89.03963	27.6
90.04311	0.7
91.01894	1.5
95.01376	1.5
95.05018	1.9
97.02948	3.2
98.01883	0.4
99.00883	2.6
99.04499	2.2
101.02431	7.3
105.03460	4.8
106.19815	0.4
113.02439	5.3
115.01878	0.8
115.03954	0.6
115.92068	8.6
116.92829	0.6
117.03446	4.1
119.48491	0.5
121.02940	0.5
123.04517	5.2
125.02410	2.2
125.12894	0.4
131.03493	13.1
132.02176	9.7
133.02951	11.6
134.03300	0.4
143.01390	1.4
143.03516	1.0
149.02455	1.0
160.01649	30.4
160.84209	4.4
160.89294	1.9
161.02434	100.0
161.04453	18.1
161.89378	1.2
161.91327	0.8
162.02939	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	149.0455
Annotation	L-xylose
Peak:m/z	Relative Intensity
50.84868	0.8
59.01376	5.4
59.79807	0.8
63.53111	0.9
69.03452	2.6
69.92432	4.8
71.01377	25.9
72.99296	1.5
73.02940	21.5
76.12315	0.9
84.36066	0.8
87.00871	12.1
89.02441	100.0
90.02756	2.2
103.04001	5.7
116.18560	0.9
117.72643	1.1
131.03493	11.8
149.04546	49.8
150.04947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.72435	0.2
61.43523	0.2
66.03484	2.1
70.57447	0.2
74.42543	0.2
78.03486	1.3
98.20734	0.6
106.03015	0.5
107.03767	3.7
108.02163	0.5
109.02948	3.2
110.00121	0.5
121.02967	0.5
122.02482	1.2
122.03736	24.0
123.04089	0.9
125.02489	0.3
133.42760	0.2
137.01994	0.3
137.99585	0.6
141.31989	0.2
150.01997	0.3
152.03526	100.0
153.01961	1.3
153.03876	3.0
174.93723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03444	0.4
59.01378	7.9
59.98513	0.2
69.03458	2.4
70.84438	0.5
71.01378	29.1
71.64172	0.2
72.01714	0.7
72.23422	0.2
72.98397	0.2
72.99304	3.8
73.02943	21.3
74.03299	0.2
74.90694	0.2
79.23821	0.2
85.02944	1.4
87.00874	16.0
87.22350	0.2
88.01253	0.3
89.02441	100.0
90.02769	1.9
101.02438	1.7
101.63281	0.2
103.00389	0.6
103.04011	5.5
105.01936	0.4
125.71606	0.2
130.99828	0.2
131.03494	13.8
132.03830	0.5
149.00946	2.9
149.04547	47.4
150.04901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0823
Annotation	Methyl 4-hydroxypiperidine-2-carboxylate
Peak:m/z	Relative Intensity
55.01875	0.4
55.95924	0.3
57.03434	1.3
58.02972	2.1
59.01376	1.9
69.03456	0.4
70.79403	0.6
71.01376	1.8
73.02937	0.6
74.77906	0.3
83.01379	0.7
84.04556	3.3
85.02937	1.1
86.02460	0.4
86.06114	34.0
87.00902	0.4
87.06441	1.1
93.63420	0.4
97.02937	1.1
97.06571	0.4
99.00848	0.5
111.00923	0.6
112.04043	39.3
113.02439	0.4
113.04390	1.5
113.06018	0.4
114.05601	9.8
114.09243	5.8
115.00324	0.4
115.04019	0.6
115.11380	0.3
116.07172	100.0
117.05582	1.3
117.07510	2.9
121.41661	0.3
129.01947	0.6
136.60600	0.3
138.27309	0.3
141.02005	0.4
158.03282	0.6
158.04588	12.5
158.08214	17.2
158.89326	2.7
159.02977	1.5
159.06604	1.0
159.08527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0458
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
52.33267	0.3
56.01381	0.3
57.03447	2.0
58.02960	0.4
62.64513	0.4
63.79882	0.3
70.88449	0.7
70.94420	0.3
73.47226	0.4
75.64427	0.3
83.01383	1.0
84.04544	8.2
85.02946	0.4
86.02452	0.4
86.06113	84.3
87.06451	1.9
97.02937	0.6
102.48058	0.3
112.04044	100.0
113.04388	2.2
114.05602	22.8
115.05987	0.5
158.04581	26.2
159.03001	0.6
159.04913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
56.01381	0.5
57.03452	2.3
58.02970	0.7
59.01379	3.1
68.99814	0.4
69.03463	0.5
69.62154	1.5
69.62562	0.5
71.01376	1.3
71.05020	0.3
73.02934	0.9
74.02438	0.3
75.99854	0.4
83.01374	1.3
84.04541	8.1
85.02950	1.3
86.06112	85.7
87.06435	1.7
96.04556	1.0
97.02929	1.9
98.06094	0.4
99.00880	1.2
99.04477	0.3
100.04071	0.4
101.02475	0.6
102.05647	0.4
106.83303	0.3
111.00883	0.4
112.04043	100.0
113.02420	0.7
113.04385	2.1
114.05599	23.4
114.09234	0.3
115.04023	0.6
115.05917	0.5
116.07167	4.7
117.05563	2.5
129.01923	0.8
139.50169	0.3
140.07159	0.4
158.04584	26.6
158.08199	2.9
158.89275	0.8
159.02989	1.6
159.04990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.01877	0.6
57.03443	1.0
59.01373	2.6
68.99818	0.8
69.03445	0.4
69.40260	1.4
69.40698	1.2
71.01382	1.2
78.69795	0.3
83.01408	0.5
84.99308	8.0
85.02938	1.2
85.99663	0.4
86.06087	0.4
87.00896	0.7
95.05064	0.4
99.00872	2.4
111.00888	0.8
111.08183	0.4
113.06086	100.0
114.06400	3.1
115.00354	1.0
127.00368	5.3
128.98340	1.3
139.00377	0.5
139.07594	0.6
156.89491	1.4
157.01440	1.1
157.05055	10.7
157.08704	4.7
157.12335	2.9
158.03403	0.5
174.09343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
69.03456	1.3
71.00314	1.8
71.01376	26.9
72.01716	1.3
72.99296	0.8
73.02940	18.9
76.54199	0.8
83.73373	0.8
87.00875	12.0
89.02439	100.0
90.02763	2.2
101.02464	1.2
103.04017	6.2
108.75491	0.7
126.54789	0.7
131.03506	12.9
149.04546	51.8
150.04938	2.5
157.50603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	L-xylose
Peak:m/z	Relative Intensity
57.54954	0.6
58.68787	0.6
59.01364	5.5
59.98524	0.7
66.24267	0.8
69.03455	3.1
70.70286	1.7
71.01379	28.4
72.99316	0.9
73.02942	20.6
75.98167	0.8
87.00876	12.3
89.02440	100.0
90.02751	1.7
101.02435	1.3
103.03998	4.8
120.49973	0.9
131.03484	13.9
137.49030	0.7
147.17934	0.7
149.04550	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
54.62637	0.8
56.21920	0.6
56.40211	0.7
57.23189	0.7
59.01356	0.7
60.28647	0.7
61.70765	0.7
62.93886	0.7
67.20750	0.6
69.27858	6.5
71.01381	1.8
84.99327	0.7
91.05530	2.4
99.00854	1.3
101.03976	1.8
103.05541	1.2
104.42429	0.7
119.05021	16.8
120.05338	0.8
129.03470	22.0
130.04318	5.0
145.02953	0.8
146.03741	5.9
147.04517	100.0
148.04868	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
54.65554	3.2
55.01857	3.0
56.30387	3.4
59.01366	10.0
60.63557	3.9
69.45425	23.2
71.01385	11.8
85.02945	4.3
99.00848	8.4
103.05527	14.4
119.05016	20.1
129.03452	10.9
147.04507	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	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
53.00308	2.4
57.03450	17.2
59.01371	2.9
66.19749	1.6
68.14500	1.6
68.99854	1.6
69.03458	3.8
71.01379	19.3
71.05013	9.9
71.28149	2.5
72.99310	17.6
75.00862	4.9
85.02950	13.1
85.18715	1.8
87.00874	11.4
87.01337	2.0
98.68193	1.7
99.00794	1.7
101.02419	4.5
101.06041	10.4
113.02448	3.6
115.03978	3.3
119.05068	2.4
129.01866	3.3
129.03453	2.4
146.03799	2.9
147.02983	4.3
147.04527	20.3
147.06624	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.18645	0.4
63.45738	0.5
69.64863	2.6
84.60987	0.4
84.66032	0.5
86.67417	0.4
108.02165	52.3
109.02505	1.9
120.79346	0.5
138.01961	100.0
139.02304	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	144.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44440	1.2
69.85775	3.1
69.86193	2.6
71.01383	4.5
76.61326	1.0
80.78756	0.9
81.24879	1.1
96.04547	1.4
98.06139	1.4
126.05605	6.3
142.05099	7.5
144.06659	100.0
144.96483	4.7
145.07019	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	144.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36809	1.0
55.97509	0.8
69.56770	5.7
69.57102	1.1
71.01379	3.5
92.05052	1.1
92.79220	0.9
98.06123	1.7
126.05605	4.5
142.05098	8.2
144.06665	100.0
145.06996	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	144.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04937	0.8
70.63348	2.6
70.63716	0.9
71.01378	4.4
72.36064	0.9
73.02929	1.0
84.82552	0.8
91.64866	0.8
98.06116	2.2
122.82621	0.8
124.03997	0.9
126.05596	7.6
141.28688	0.8
142.05069	5.8
144.06654	100.0
145.07021	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.52595	0.8
65.06860	0.7
69.36433	7.3
72.79556	0.9
83.05037	1.3
97.06609	2.1
99.08158	100.0
100.08480	3.4
106.51327	0.9
117.03452	7.3
126.37766	0.9
127.07677	1.4
138.69992	0.9
143.07208	1.0
145.02936	5.5
145.06978	3.7
145.08707	55.8
146.02495	1.5
146.09036	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	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
57.03440	0.9
59.01377	6.6
70.02986	1.0
71.01385	3.6
71.24454	1.0
71.28015	1.4
71.28362	1.1
74.02476	7.7
75.00878	1.2
75.17259	0.9
84.04548	3.8
85.02945	1.8
98.02480	2.6
99.00861	1.9
102.05608	100.0
103.05953	2.8
107.01342	0.9
128.03539	42.8
129.01945	1.0
146.04582	21.3
147.03015	1.6
148.68872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
55.01873	15.1
57.03450	7.1
59.01380	47.2
61.98811	5.5
68.99805	3.4
71.01382	100.0
71.51677	4.0
72.99304	13.3
75.00874	20.8
79.95724	7.8
83.01391	5.9
84.99315	3.1
85.02936	9.3
87.00883	7.2
89.02464	3.9
96.53496	3.5
99.00881	39.3
101.02461	10.4
101.06137	3.4
111.00871	4.1
119.05038	8.0
129.01923	9.4
147.01953	17.3
147.02963	10.3
147.04518	50.8
147.06584	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	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.1
57.03450	7.1
59.01380	47.2
61.98811	5.5
68.99805	3.4
71.01382	100.0
71.51677	4.0
72.99304	13.3
75.00874	20.8
79.95724	7.8
83.01391	5.9
84.99315	3.1
85.02936	9.3
87.00883	7.2
89.02464	3.9
96.53496	3.5
99.00881	39.3
101.02461	10.4
101.06137	3.4
111.00871	4.1
119.05038	8.0
129.01923	9.4
147.01953	17.3
147.02963	10.3
147.04518	50.8
147.06584	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
52.59079	0.9
59.01375	2.5
62.85885	1.0
68.99818	2.1
69.58654	0.8
70.43296	2.0
70.43664	1.8
71.01364	4.4
79.05524	2.6
85.02960	0.9
91.05520	8.4
93.03431	1.5
95.05032	5.0
99.00872	3.1
101.03966	2.8
102.10268	0.8
102.74367	0.9
103.05522	4.5
105.03442	7.6
106.84040	0.9
108.02180	3.5
117.03432	0.9
119.05018	21.3
120.05344	1.5
123.55135	0.8
129.03470	15.5
130.04210	4.1
145.02936	1.8
146.03745	7.0
147.04517	100.0
148.04860	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
60.30466	0.2
64.93404	0.2
65.01451	0.8
68.02538	0.6
68.53725	0.2
69.46329	0.4
69.46732	1.2
71.01380	0.3
75.00878	0.7
80.02542	0.5
89.25652	0.3
91.16276	0.3
92.02541	6.9
98.19952	0.5
107.03635	28.6
108.03967	0.9
114.88299	0.3
124.40648	0.3
134.04724	100.0
135.03014	0.5
135.04329	1.1
135.05078	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	135.0301
Annotation	Threonic acid
Peak:m/z	Relative Intensity
51.93576	0.9
56.93873	1.0
59.01377	14.2
70.86086	2.4
71.01380	15.0
72.99305	19.6
73.01795	5.6
73.02936	3.8
74.15735	1.0
75.00871	100.0
76.01212	1.9
87.00874	67.9
89.02444	11.1
95.95221	1.7
115.00343	3.4
117.00800	17.2
117.01929	2.5
134.91602	4.3
135.01900	5.8
135.02985	65.0
135.04564	2.9
136.03300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50844	0.3
65.03956	1.1
68.23519	0.3
69.69427	1.5
75.03062	0.3
83.88371	0.3
91.01888	0.5
93.03453	100.0
94.03784	4.5
108.02174	3.6
112.83146	0.3
135.00873	1.2
137.02438	25.0
138.01930	5.5
138.02815	0.9
151.98917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
60.44495	0.3
65.03957	1.1
71.10790	0.6
79.15221	0.3
91.01913	0.4
92.58280	0.3
93.03455	100.0
94.03785	4.6
108.02168	4.0
109.02970	0.3
135.00838	0.5
137.02441	23.3
137.82727	0.3
138.01945	7.2
138.02808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.4
68.99810	1.5
69.03455	9.8
69.45959	6.9
71.01382	5.7
71.27626	1.0
73.02950	16.0
85.02969	1.2
85.06587	100.0
86.06927	4.5
87.04517	5.3
113.02433	1.3
113.06110	2.9
131.03542	1.6
131.07138	60.1
132.07520	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	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
58.94133	0.9
59.01372	1.4
69.03452	2.6
69.62316	5.7
71.01399	4.1
73.02943	14.7
83.05041	1.0
85.06587	100.0
86.06921	3.1
87.04512	3.7
113.06092	1.2
128.78171	0.9
129.05602	1.7
131.03494	1.6
131.07143	57.0
132.07472	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23800	1.0
59.01389	1.5
70.11913	0.9
70.42417	3.5
71.01379	64.0
72.99297	15.4
76.12309	1.2
87.00864	3.2
89.02436	7.3
103.28137	1.1
115.00366	100.0
116.00760	2.5
133.01427	29.6
133.05051	3.0
134.04706	1.6
136.20169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.89110	0.9
57.73256	0.7
59.01377	1.3
69.66304	4.2
69.66614	1.2
71.01379	63.8
72.01718	1.2
72.99312	14.1
76.65515	0.6
77.23888	0.6
87.00881	1.4
89.02442	8.3
115.00373	100.0
116.00700	2.7
133.01431	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01662	0.8
55.01878	9.2
56.18400	0.9
63.02380	2.1
68.99821	6.2
69.03452	14.2
69.16956	7.1
81.03447	23.9
82.03777	0.9
83.01383	19.9
85.02938	1.5
97.02910	1.2
98.17661	0.8
125.02436	100.0
126.02813	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	127.0766
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
59.01374	20.8
69.44845	39.9
69.45226	11.5
78.71841	7.1
81.20528	5.9
83.05047	6.0
85.02944	7.3
93.89033	5.2
109.06595	7.1
124.29167	5.0
126.90437	37.8
127.00369	9.6
127.03996	6.6
127.07656	100.0
128.03539	11.5
128.07169	40.6
149.06155	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	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01878	28.8
57.03443	51.7
60.61492	5.2
67.01891	100.0
67.82240	4.8
68.99805	13.4
69.92651	20.0
71.01379	21.2
73.02937	7.9
74.32547	4.7
75.79411	5.4
85.02942	42.3
88.04034	19.2
98.19946	5.5
129.01938	33.8
129.05551	18.0
130.05151	9.4
130.08766	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01857	10.6
57.03450	47.7
67.01893	100.0
68.99805	15.8
70.30076	4.6
70.71140	13.9
71.01384	8.1
83.01403	7.2
85.02955	34.3
88.04058	9.9
92.17842	4.0
100.36159	4.1
101.02496	4.8
118.55529	5.0
128.90187	23.5
129.01938	21.0
142.52855	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	131.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93836	1.5
52.98357	1.4
58.07608	1.2
59.01341	1.8
61.42459	1.2
69.03465	3.0
69.34134	9.7
71.01388	2.9
73.02946	15.5
85.02979	1.8
85.06590	100.0
86.06933	2.2
87.04517	3.2
98.20719	2.8
113.06087	2.0
131.03654	1.3
131.07133	61.1
132.07449	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.26293	0.8
59.01375	1.4
66.95991	0.8
69.49363	5.2
71.01373	5.2
73.02943	15.4
76.05842	0.7
78.92134	0.8
84.08178	1.3
85.02952	1.4
87.04514	7.1
88.04046	2.0
97.65514	0.8
110.89061	0.8
130.08733	100.0
131.03490	1.6
131.09087	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	125.0245
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
50.39494	0.9
55.01880	8.7
58.66154	1.0
63.02410	2.0
68.99812	4.6
69.03460	15.1
71.53208	1.4
81.03455	22.1
83.01382	15.6
96.96015	1.9
96.99321	4.0
97.02959	6.9
107.06297	1.0
124.98865	3.8
125.02449	100.0
126.02807	3.5
141.79828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0245
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
55.01876	9.3
63.02394	1.1
68.99822	5.5
69.03455	14.9
70.09235	1.9
81.03459	25.3
82.00604	0.9
82.03799	0.8
83.01379	17.6
83.01828	1.4
83.36163	0.8
84.22137	0.7
85.02961	1.4
91.44030	0.7
97.02946	2.0
102.82790	0.7
105.28483	0.8
116.82473	0.8
125.02444	100.0
126.02802	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01859	1.1
57.49994	0.5
69.46718	3.2
71.51855	0.6
73.02943	100.0
74.03278	2.5
87.52864	0.5
99.00881	8.2
99.92594	1.0
116.90147	0.4
116.92857	2.4
117.01937	17.5
129.28748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0558
Annotation	2-Hydroxy-3-methylbutyric acid
Peak:m/z	Relative Intensity
55.01880	1.6
59.01373	3.7
63.39304	1.2
69.87785	2.5
69.88150	5.9
71.01376	3.8
71.05020	77.7
72.05351	2.4
72.79183	1.3
73.02945	100.0
74.03274	2.7
96.87386	1.2
99.00876	10.3
99.92587	25.5
100.92609	2.7
102.27902	1.1
115.32215	1.3
116.92859	88.4
117.01939	20.2
117.05573	59.5
117.92876	9.5
118.05913	1.9
127.90739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.533
Annotation	Unknow
Peak:m/z	Relative Intensity
82.00562	0.1
83.01395	0.3
85.02940	0.2
87.00903	0.3
87.04507	1.4
89.02434	0.4
95.01398	0.7
96.99302	0.5
101.01849	0.1
101.02423	0.7
101.97545	0.1
109.02950	0.3
110.00092	6.2
111.00896	1.5
113.02457	0.5
122.00110	0.3
123.00884	0.5
124.98793	0.4
125.02432	0.4
125.99578	0.6
135.00868	0.2
136.98799	2.3
137.02438	1.4
137.99577	0.7
139.00371	3.0
140.01164	1.7
141.01918	0.2
141.99049	0.5
143.05014	0.6
146.03688	0.7
147.04459	0.2
148.01662	0.2
149.02431	0.2
151.00352	0.2
152.01161	0.2
153.01886	0.2
153.99113	0.2
155.03502	3.1
155.04843	0.3
157.06642	0.1
159.04478	1.1
160.05312	0.3
161.99565	0.5
163.00354	1.1
164.98274	1.4
165.99066	14.2
166.99828	1.9
167.05032	0.3
168.00609	0.4
169.02919	0.2
171.04521	1.6
172.05289	2.8
173.06090	0.9
174.03218	0.4
174.06857	0.6
181.01411	4.5
183.04478	0.5
184.05338	0.4
185.02518	0.2
185.06041	1.6
186.06841	1.4
187.03996	1.1
189.99052	0.2
195.04533	0.6
196.05304	0.6
197.06033	0.5
198.03221	1.8
198.06863	0.3
199.04008	3.0
199.07619	0.5
200.04776	8.2
201.05461	1.2
201.09196	0.2
207.02861	0.2
209.06061	0.5
210.06906	0.3
211.04024	0.9
211.07651	0.3
212.04765	0.7
213.02306	0.2
213.05542	4.5
213.08968	0.3
214.06250	0.5
215.03484	0.9
218.05893	0.4
221.06662	0.7
223.07623	0.2
224.04852	0.3
225.01961	0.3
225.05627	0.3
226.02638	0.2
227.03476	2.7
227.07018	0.3
227.12804	0.2
237.05461	0.2
238.06461	0.2
239.03484	0.4
239.07172	0.3
240.04312	0.6
241.01337	0.2
241.04814	0.2
241.08644	0.2
241.12280	0.2
243.02956	2.1
249.05362	0.2
251.03534	0.2
251.06900	0.1
252.04308	0.2
252.07971	0.2
253.01389	0.3
253.04944	0.3
253.15837	0.2
254.05754	0.2
255.02974	2.6
255.13881	2.0
256.03400	0.2
264.04111	0.2
265.05060	0.2
266.05722	0.2
267.02963	0.4
268.03708	0.2
269.11908	0.4
269.15515	0.3
270.01788	0.4
271.02472	4.3
271.05432	0.2
271.13394	0.2
277.05048	0.3
277.21729	0.8
278.05621	0.2
279.02899	0.3
280.03506	0.2
281.04645	0.2
281.11819	0.7
281.15369	0.4
282.01645	0.3
283.13361	0.6
287.12854	0.4
291.06589	0.2
292.04016	0.2
293.04575	0.4
295.02448	0.4
295.05951	0.3
295.13373	0.3
297.03918	0.3
297.14966	2.3
298.01239	0.6
299.01950	9.9
299.12921	0.5
299.16446	0.2
300.02490	0.6
306.05096	0.2
307.02753	0.2
307.06155	0.4
307.13342	1.2
308.06595	0.2
309.04239	0.2
309.07672	0.2
311.12930	0.2
313.03601	1.1
313.14215	0.2
314.04303	12.4
315.04623	0.9
315.16034	0.9
316.16537	0.2
321.03946	0.4
323.01953	0.2
323.12912	0.6
324.02753	4.8
325.03690	0.8
325.14426	15.0
326.14694	1.2
335.05713	0.2
336.06207	0.2
337.03473	0.4
338.04276	1.0
339.05035	3.5
340.05414	0.2
341.13928	0.2
342.14703	0.2
343.15448	5.1
344.15680	0.3
349.03476	0.3
349.07336	0.2
349.14645	0.2
351.05078	0.2
351.12302	1.0
353.13901	0.2
365.13565	0.2
366.03818	0.3
367.04504	2.6
367.15497	0.2
368.05020	0.2
369.13477	0.7
381.06192	0.6
382.06961	0.3
393.13486	0.2
399.18085	0.2
405.13062	0.4
411.14420	0.2
417.19125	0.2
448.11258	0.2
449.12155	0.7
453.11914	0.2
463.13678	0.3
465.15714	0.2
467.13324	0.3
493.14807	0.2
507.16626	2.4
508.17062	0.3
525.17828	0.7
741.29639	0.6
767.26825	0.2
905.30231	0.7
923.31787	4.1
924.31775	0.5
1001.50751	3.0
1002.51111	0.4
1019.47595	0.2
1021.47833	0.6
1027.48828	1.0
1028.46680	0.2
1069.49475	0.2
1139.53369	0.5
1140.54333	0.2
1155.53528	0.3
1165.52405	0.7
1168.51147	0.4
1183.53198	100.0
1184.53564	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	1161.548
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01353	0.2
85.02925	0.2
87.00890	0.3
87.04512	1.0
89.02432	0.3
95.01375	0.6
96.99303	0.5
97.02951	0.2
98.46960	0.2
101.02439	0.7
105.95782	0.1
106.00592	0.2
108.02308	0.2
109.02946	0.4
110.00094	6.2
111.00303	0.2
111.00893	1.7
113.02441	0.8
122.00061	0.4
123.00893	0.4
124.98800	0.5
125.02428	0.3
125.99577	0.9
134.00087	0.3
135.00865	0.3
136.98808	2.1
137.02448	1.3
137.99590	0.9
138.29938	0.2
139.00363	3.3
140.01155	1.8
141.01974	0.3
141.99034	0.3
143.04984	0.4
146.03728	0.9
147.04488	0.2
148.01694	0.4
151.00429	0.3
152.01186	0.3
153.01904	0.2
153.99071	0.3
155.03502	3.7
155.04814	0.3
157.02850	0.2
159.04486	0.8
160.05231	0.3
161.05969	0.2
161.99516	0.4
163.00340	0.9
164.98285	1.3
165.99066	15.5
166.99832	1.8
167.04938	0.3
168.00584	0.5
171.04504	1.6
172.05298	3.2
173.06081	0.6
174.03120	0.5
174.06895	0.3
175.03935	0.2
181.01416	5.5
183.04465	0.6
184.05231	0.4
185.02502	0.2
185.06042	1.6
186.06836	1.6
187.04013	1.0
188.04710	0.2
190.99867	0.2
195.04561	0.3
196.05295	0.6
197.06055	0.6
198.03200	1.2
198.06804	0.2
199.02408	0.2
199.04008	2.4
199.07674	0.5
200.04776	8.2
201.05507	1.3
204.04303	0.2
209.06076	0.3
211.03925	0.7
211.07646	0.2
212.04791	0.8
213.05571	4.7
214.06229	0.6
215.03481	1.2
216.45134	0.2
218.05765	0.2
221.06583	0.4
223.04077	0.2
223.07367	0.2
224.04707	0.4
224.08235	0.2
225.01933	0.3
225.05492	0.5
226.02705	0.4
227.03497	2.4
227.07033	0.3
227.10667	0.2
228.04187	0.2
237.05533	0.3
239.03415	0.5
239.07039	0.2
240.04266	0.8
243.02959	2.3
251.03474	0.2
252.04114	0.2
253.01443	0.4
254.05759	0.2
255.02977	2.3
255.13853	2.1
255.23256	2.8
256.03476	0.3
262.06354	0.2
263.07022	0.2
267.06641	0.4
268.03680	0.5
269.11810	0.3
270.01685	0.5
270.99707	0.3
271.02469	4.5
272.03024	0.4
277.05127	0.3
279.02917	0.4
279.06433	0.3
280.03571	0.2
281.04709	0.2
281.11792	0.9
281.15466	0.5
282.01825	0.3
283.13458	0.8
293.04602	0.6
295.02390	0.5
295.06033	0.3
295.13403	0.3
296.03195	2.5
297.03790	0.2
297.14856	2.2
298.01056	0.4
298.15363	0.3
299.01947	9.9
299.12946	0.4
300.02374	0.6
307.06000	0.4
307.13400	1.1
309.04135	0.2
311.12894	0.2
313.03455	1.0
314.04306	13.1
315.04669	0.9
315.15851	0.4
321.04019	0.4
323.02100	0.2
323.12885	0.6
324.02734	5.2
324.13446	0.3
325.03625	0.8
325.14417	17.2
326.14832	1.3
335.05603	0.3
336.06464	0.3
337.03500	0.2
338.04291	0.8
339.05038	4.5
342.14917	0.2
343.15466	3.1
349.03455	0.2
351.05035	0.5
351.12283	1.2
366.03491	0.3
367.04538	3.2
369.13336	0.5
381.06140	0.5
382.06973	0.3
393.13126	0.3
399.18008	0.3
405.13239	0.4
417.19379	0.2
432.15677	0.2
432.93301	0.2
449.12259	0.8
463.14008	0.3
467.13455	0.2
488.43335	0.2
507.16614	3.3
508.17249	0.2
525.17822	0.3
541.16467	0.2
561.23218	0.2
905.31305	0.5
906.25079	0.2
923.31366	1.6
979.53082	2.2
980.53497	0.4
1005.50629	0.8
1133.54456	0.3
1133.79297	0.2
1143.53589	0.6
1144.55322	0.2
1146.51685	0.4
1161.54797	100.0
1162.55042	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	114.0561
Annotation	L-Proline
Peak:m/z	Relative Intensity
59.01381	1.4
66.03480	1.9
69.82319	0.6
70.64410	1.8
71.05021	2.4
78.17629	0.6
86.02478	2.0
86.03291	0.8
112.04049	0.8
112.96672	0.6
114.05608	100.0
114.93430	0.8
115.05961	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	1141.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	0.3
85.02946	1.9
87.00865	1.5
87.91772	0.3
88.50158	0.3
88.98801	100.0
89.02450	1.1
89.99132	0.6
95.01363	0.5
97.02946	1.0
99.00881	1.3
99.46732	0.3
101.02436	1.6
103.03994	0.4
110.96068	0.3
113.02444	1.3
115.71562	0.2
117.00134	0.2
119.03567	0.3
125.02452	1.3
126.37274	0.2
131.03488	0.6
143.03493	1.0
144.31262	0.3
147.04500	0.7
149.06071	0.3
163.06122	0.6
205.07178	0.7
251.76044	0.3
331.20929	0.3
336.75278	0.3
1033.52844	0.6
1051.54736	47.1
1052.55127	10.5
1053.55469	1.0
1141.52795	2.2
1142.54492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1144.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01852	0.2
82.46515	0.1
83.01385	1.2
85.02943	4.5
86.00090	0.5
87.00874	3.2
87.04487	0.6
89.02435	2.4
95.01384	6.0
97.02934	0.7
99.00877	5.6
99.01529	0.3
101.01796	0.3
101.02437	4.2
103.04003	1.1
111.00871	0.4
113.02451	4.0
115.04015	1.1
119.03516	0.9
119.04964	0.1
123.00881	7.0
123.34467	0.1
125.02440	1.2
129.01840	0.2
131.03502	2.0
139.00340	0.3
141.01936	1.3
143.03484	2.6
145.05042	0.6
157.01381	0.5
161.04523	0.8
163.03957	0.2
163.06116	0.9
205.07146	1.5
246.45189	0.1
247.08350	0.2
372.46808	0.1
395.34589	0.1
439.35678	0.3
542.87976	0.2
809.86768	0.2
907.50024	0.2
978.52661	0.3
1031.52283	0.8
1049.53210	100.0
1050.53491	21.6
1081.55579	3.3
1082.56689	0.8
1144.54700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
52.34567	2.8
59.01377	17.8
68.99552	6.9
69.56248	19.7
71.01380	100.0
71.05023	23.4
72.01718	3.7
72.99268	4.1
75.45541	3.7
87.00877	9.2
97.93131	4.4
114.93394	8.4
115.00388	20.9
115.03974	9.3
116.07159	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.08145	3.1
58.68350	2.7
68.98637	3.4
69.64841	14.9
71.01380	100.0
72.01721	4.6
73.58260	3.0
79.13005	2.9
115.00380	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	1159.532
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02954	0.8
87.00872	84.4
88.01201	0.9
93.03436	0.4
95.01397	0.5
99.00893	0.4
108.02143	0.5
121.02925	0.5
123.04523	10.5
130.99858	46.4
137.02448	1.0
139.03987	0.5
140.87994	0.4
142.43965	0.4
142.93803	0.4
145.02975	0.8
147.04507	1.3
148.05211	0.9
149.06064	4.0
161.02466	1.0
165.05551	3.4
189.01918	0.7
193.05002	1.8
195.02950	2.4
218.02077	0.5
219.03032	0.7
228.08774	0.4
233.00978	0.5
253.03514	3.2
254.04300	28.7
255.05058	19.0
256.05417	0.7
688.32037	0.5
820.65222	0.5
890.09235	0.4
903.47784	0.6
925.51947	1.4
926.51361	0.7
1159.53259	100.0
1160.53699	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	0.5
81.03442	0.3
83.01360	0.9
85.02948	5.7
86.00069	0.8
87.00873	3.7
87.04500	0.8
89.01938	0.3
89.02442	2.9
95.01382	11.7
96.96004	0.4
97.02940	1.3
99.00872	5.9
99.04484	0.2
101.01793	0.3
101.02437	5.0
102.95453	0.2
103.04015	0.9
109.02988	0.2
111.00869	0.7
112.01662	0.2
113.02451	4.4
115.00346	0.2
115.03976	0.9
116.92844	0.5
119.03470	0.9
123.00874	14.2
124.01184	0.2
125.02438	0.8
127.03992	0.4
129.01933	0.2
131.03481	2.3
139.00368	0.5
140.01117	0.3
141.01939	0.7
143.03506	3.0
145.05025	0.7
147.04495	0.5
157.01447	0.5
161.04501	0.6
163.06107	1.4
181.01543	0.2
197.05815	0.2
205.07146	2.0
211.13454	0.2
271.02319	0.3
284.03247	0.4
285.04068	0.2
300.02621	0.3
314.04007	0.4
315.04626	0.2
341.17657	0.3
348.55045	0.2
439.35934	0.8
509.39859	0.4
599.39667	0.2
808.24274	0.3
860.07037	0.2
925.52136	0.7
953.51697	0.3
1026.37720	0.2
1049.53076	1.2
1050.52551	0.3
1055.56812	0.7
1063.54663	0.7
1067.54419	0.6
1081.55774	100.0
1082.56165	17.0
1099.57788	1.1
1100.57373	0.4
1117.49658	0.2
1135.47620	1.7
1136.49609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
53.20910	3.8
55.01880	4.2
57.03451	19.8
61.55426	3.8
68.99579	68.0
69.03455	7.7
69.36917	15.5
69.37347	15.9
73.60592	3.9
77.19379	3.4
84.02123	5.3
85.02943	50.1
111.60649	4.1
113.02462	20.9
113.06090	68.4
114.04846	6.6
114.05610	100.0
114.06400	8.1
132.46936	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	113.0608
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
51.43822	3.5
55.01867	10.6
57.03452	22.2
59.01785	3.6
68.99205	7.5
68.99564	100.0
69.03453	18.0
70.27356	4.1
71.01382	9.7
71.53941	4.2
84.02171	9.8
85.02952	81.0
92.71871	4.0
113.02461	30.1
113.06078	65.9
114.01982	6.0
114.05605	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
50.28230	2.4
55.01857	3.2
56.23942	2.5
57.03445	18.7
68.99570	81.0
69.03459	10.2
71.01362	5.1
71.53765	3.2
83.01395	3.7
84.02167	9.5
85.02950	44.3
88.21202	2.7
90.39598	2.3
113.02451	22.4
113.06087	45.1
114.05615	100.0
114.06313	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.5
55.42354	3.5
57.03454	17.6
63.12393	3.0
68.99567	96.9
69.03459	7.9
69.36684	24.1
71.01369	3.7
74.80350	2.8
82.53190	3.0
84.02158	7.3
85.02943	57.1
98.19854	6.7
100.17484	2.6
113.02459	19.8
113.03655	3.0
113.06130	2.9
114.01976	5.7
114.05607	100.0
124.04929	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	1130.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
79.96370	0.1
81.03452	0.2
83.01397	1.2
85.02946	4.2
86.00099	0.6
86.03331	0.1
87.00870	4.1
87.04508	0.7
89.02446	2.5
93.03421	0.1
95.01385	5.1
96.01697	0.1
96.95970	0.1
97.02958	1.5
99.00878	5.7
101.02438	4.2
103.04012	1.0
105.03428	0.2
111.00863	0.4
112.01662	0.2
113.02444	5.2
115.00399	0.2
115.04008	1.1
119.03493	0.8
119.04990	0.3
121.02944	0.3
123.00883	6.3
123.04470	0.1
124.01319	0.1
125.02458	1.0
127.04008	0.2
130.99831	0.4
131.03497	2.2
137.02432	0.5
139.00383	0.3
139.04018	0.2
140.01112	0.1
141.01941	1.5
143.03497	2.6
145.02942	0.2
145.05042	0.4
146.03688	0.1
147.04523	2.0
148.05243	0.5
149.06091	0.2
157.01425	0.4
157.08351	0.1
161.04532	0.7
163.04019	0.2
163.06117	0.9
164.04919	0.1
175.04041	0.1
189.03896	0.1
191.03497	0.2
192.04042	0.1
205.07130	2.0
211.13373	0.2
218.02087	0.3
233.06706	0.1
245.70123	0.1
307.10406	0.1
313.03439	0.2
317.43173	0.1
341.18347	0.1
439.35706	0.3
509.40109	0.2
563.37317	0.2
723.40839	0.2
771.02155	0.1
876.37250	0.2
894.38965	0.4
925.52545	0.1
941.42084	0.1
978.53247	0.4
1023.54651	0.6
1024.55408	0.2
1027.54700	0.2
1031.51147	0.6
1049.53210	100.0
1050.53467	20.2
1067.54480	1.9
1068.54529	0.4
1071.52722	0.2
1095.40259	0.3
1112.41968	0.2
1113.41956	1.5
1130.47229	0.4
1131.42566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01868	4.3
55.07868	3.0
57.03435	30.8
62.82626	3.1
68.99210	6.9
68.99568	98.4
69.03448	19.1
71.01375	4.7
71.53899	5.6
84.02165	16.8
85.02944	95.2
97.78739	3.2
113.02449	40.1
113.06085	66.1
114.05596	100.0
114.06395	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	1115.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.4
82.97823	0.1
83.01385	1.5
85.02946	6.6
86.00084	0.8
87.00330	0.2
87.00874	4.5
87.04510	1.1
89.02443	4.8
95.01384	2.1
96.95998	0.2
97.02967	0.5
99.00875	9.3
99.04520	0.2
100.01192	0.1
101.02438	7.6
102.02842	0.1
103.04012	1.1
105.91736	0.1
111.00877	0.5
112.01653	0.3
113.02450	5.6
115.00394	0.5
115.04008	1.1
119.03508	1.6
119.04971	0.1
125.02473	0.6
127.04011	0.2
129.01917	0.3
131.03493	2.4
132.02196	0.1
139.00322	0.2
143.03490	3.2
145.02919	0.2
145.05067	0.5
149.02406	0.2
149.06004	0.1
157.01436	1.0
159.02957	0.1
161.02408	0.1
161.04559	0.7
163.03976	0.2
163.06105	0.5
175.03947	0.1
187.07671	0.1
205.07144	1.5
255.02942	0.1
284.03281	0.8
285.03510	0.2
299.02426	0.2
299.05521	1.1
300.05865	0.1
405.31284	0.2
447.16760	0.1
467.31485	0.1
477.17651	0.2
789.40723	0.9
790.41040	0.1
807.40979	0.2
951.45483	0.2
969.46320	0.3
1097.52271	0.2
1109.54114	0.1
1115.52698	100.0
1116.52917	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	1123.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05518	0.4
81.03441	0.2
83.01374	0.6
85.02955	1.1
87.00872	17.3
89.02435	3.1
91.05527	1.8
92.00674	0.2
93.03453	2.8
95.01359	0.6
95.05024	1.0
97.02934	0.6
99.00877	0.3
101.02438	3.4
101.03909	0.2
103.05534	0.9
105.03459	1.6
108.02168	1.2
109.02938	0.2
113.02442	1.5
117.03452	0.2
119.03544	1.0
119.05013	2.2
121.02950	11.2
122.03741	6.1
123.04518	1.9
124.01654	0.6
125.02428	1.0
129.03401	0.4
130.04265	0.2
130.99860	7.1
132.02180	0.2
133.02937	0.3
135.04497	0.8
136.01674	0.2
136.05214	0.2
137.02438	2.5
137.06038	0.2
139.03999	0.7
143.03488	0.3
145.02055	0.2
145.02959	1.9
146.03740	1.6
147.04518	11.5
148.01675	0.3
148.05315	1.7
149.02428	4.3
149.06065	0.6
150.03239	1.5
151.04004	0.2
154.02687	1.0
161.04536	0.6
163.03998	2.8
164.04793	1.9
165.05550	0.8
174.03197	0.3
175.04031	0.2
176.27803	0.2
176.39182	0.2
179.05591	0.3
183.13893	1.6
190.02556	0.3
191.03470	1.4
192.04271	1.3
193.05109	0.3
193.12285	0.4
201.05742	0.2
202.17648	0.2
211.13379	14.2
212.13692	0.5
217.01361	1.6
218.02171	3.0
221.06595	0.7
235.08141	0.8
254.04311	2.7
255.04953	0.4
259.16702	0.2
277.21689	7.9
278.22086	0.5
287.16553	1.2
297.14951	0.5
305.17529	0.2
311.16592	0.2
313.14560	0.3
313.18051	0.3
315.16061	1.3
323.16464	0.3
329.17633	0.3
332.70883	0.2
333.17017	0.6
341.17371	0.5
357.17203	0.4
359.18393	0.2
397.13528	1.1
415.14462	0.6
439.39542	0.2
479.04614	0.2
591.26447	0.2
622.87781	0.2
743.14221	0.2
869.49060	0.5
909.27954	0.2
1033.54822	0.5
1034.55176	0.2
1035.54529	0.7
1045.48193	0.3
1061.53064	0.7
1063.50854	2.8
1064.51624	0.2
1087.51587	0.8
1105.51978	2.6
1106.51904	0.5
1123.53174	100.0
1124.53369	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	1114.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
79.94604	0.1
81.03443	0.2
81.31959	0.1
83.01387	1.5
84.02169	0.1
85.02946	5.6
86.00090	0.7
87.00873	3.2
87.04506	0.9
89.02441	3.2
93.03435	0.1
95.01383	1.6
97.02351	0.1
97.02946	2.5
99.00877	4.9
99.04501	0.2
100.01733	0.1
101.02440	5.0
101.44765	0.1
102.02742	0.1
103.04008	1.3
109.02912	0.1
111.00851	0.2
112.01670	0.2
113.02446	4.7
114.02716	0.1
115.00353	0.2
115.04007	1.3
116.85234	0.2
119.03502	0.7
125.02445	4.1
126.02712	0.1
127.03982	0.2
129.01871	0.1
130.48090	0.1
131.03500	2.5
139.00368	0.3
141.01910	0.1
142.02675	0.1
143.03488	3.0
145.05069	0.6
147.04510	0.1
157.01408	0.4
161.04533	0.7
163.06116	1.0
205.05281	0.1
205.07152	1.8
247.08197	0.1
307.10104	0.1
439.35712	0.2
465.37262	0.3
499.48749	0.1
503.62772	0.1
535.41467	0.1
537.39398	0.1
551.88043	0.1
565.38977	1.0
567.40564	0.2
635.43396	0.4
704.96906	0.1
725.42950	0.2
743.44727	0.1
863.51617	0.1
924.50745	0.1
951.52856	0.2
1033.53870	1.0
1034.54114	0.2
1051.54712	100.0
1052.55017	17.1
1113.81384	0.1
1114.53870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03442	0.3
81.44666	0.1
83.01380	6.1
85.02946	5.1
86.00105	0.7
87.00874	2.8
87.04504	0.7
89.02445	2.2
95.01372	1.4
96.40096	0.1
96.96043	0.2
97.02950	1.7
97.59699	0.1
99.00878	4.3
99.04484	0.2
101.02438	3.5
103.04010	1.3
109.02919	0.2
111.00866	0.3
112.01640	0.2
113.01698	0.1
113.02446	3.3
115.04025	0.8
119.03504	0.5
123.00885	0.2
125.02439	20.2
126.02800	0.3
127.04033	0.2
129.01909	0.1
131.03503	2.3
137.02365	0.2
139.00392	0.2
143.03493	2.6
145.05063	0.4
147.04526	0.3
157.01410	0.6
161.04515	0.3
163.06108	0.9
163.58089	0.2
205.07185	1.8
211.00040	0.2
443.73309	0.2
565.39063	0.7
635.43420	0.2
725.42938	0.3
925.51794	0.3
1033.54065	1.1
1034.54651	0.2
1051.54724	100.0
1052.55005	18.0
1113.57629	0.3
1114.58887	3.1
1115.57483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	0.2
83.01382	1.0
84.02158	0.1
85.02947	5.1
86.00095	0.5
87.00874	3.2
87.04514	0.9
89.02447	2.2
93.03463	0.2
95.01385	5.3
96.58624	0.1
97.02952	1.3
99.00877	6.1
100.01202	0.1
101.02438	4.7
103.04008	0.9
111.00890	0.6
112.01677	0.2
113.02445	4.7
115.04000	1.1
119.03494	0.7
119.04990	0.2
119.98762	0.1
123.00883	6.4
124.01176	0.1
125.02430	1.3
127.04028	0.2
131.03494	2.1
137.02464	0.1
139.00366	0.2
141.01932	1.7
143.03493	2.7
145.05031	0.5
147.04370	0.1
157.01407	0.4
161.04594	0.6
163.03987	0.1
163.06090	0.9
173.05975	0.1
205.07133	1.9
228.96521	0.1
375.41516	0.1
402.38458	0.1
439.35651	0.3
661.41431	0.1
723.40979	0.3
978.52490	0.2
1023.55737	0.8
1027.54932	0.4
1031.52637	0.7
1040.55359	0.5
1049.53198	100.0
1050.53455	16.8
1067.54126	2.0
1068.55212	0.3
1103.51184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01887	4.8
58.06928	0.8
67.01891	15.9
68.29736	0.8
70.06380	3.0
71.01380	1.8
75.79389	0.9
78.95904	100.0
79.22869	1.0
79.23287	0.8
83.01392	14.8
97.10410	0.7
98.20621	1.0
110.33790	0.8
110.97641	1.2
110.98508	2.3
111.00882	26.2
111.04487	0.8
112.01167	1.0
112.04022	1.0
113.90407	0.7
126.93606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.6
83.01382	4.9
84.13548	0.3
85.02948	5.5
86.00067	0.5
87.00873	3.0
87.04501	0.9
89.02435	2.5
95.01373	1.3
97.02940	0.9
99.00871	4.6
101.02445	3.2
102.51618	0.3
103.03996	1.1
113.02445	4.0
115.03984	1.1
119.03475	0.9
125.02441	18.6
131.03511	2.4
137.02444	0.5
143.03473	2.3
145.05038	0.3
147.04468	0.9
148.05263	0.4
150.91412	0.2
151.65683	0.2
157.01404	0.4
161.04558	0.3
163.06116	0.8
189.83107	0.3
191.03398	0.3
199.69107	0.2
205.07138	1.9
284.03418	0.3
456.62115	0.2
565.38806	0.8
635.42816	0.8
679.41486	0.4
725.42871	0.5
779.41071	0.3
925.50958	0.3
1033.53601	0.8
1034.52563	0.3
1051.54712	100.0
1052.55066	22.3
1114.53076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95864	0.2
83.01385	1.3
85.02946	5.4
86.00093	0.5
87.00873	2.8
87.04521	0.7
89.01924	0.2
89.02436	2.2
93.03423	0.1
95.01376	1.3
97.02936	0.3
99.00876	4.3
101.02436	4.2
101.03107	0.2
103.03992	0.8
111.00868	0.3
112.01662	0.3
113.02445	4.8
115.00343	0.2
115.04014	1.1
119.03482	0.6
120.20121	0.1
125.02439	0.3
127.03942	0.2
129.01964	0.2
131.03497	1.8
139.00343	0.3
143.02429	0.2
143.03508	2.2
145.05032	0.2
147.04448	0.2
157.01381	0.5
161.04504	0.7
163.06091	0.9
205.07153	1.5
247.08099	0.1
284.03458	0.1
388.95309	0.1
405.31342	0.2
421.31055	0.1
423.32730	0.2
437.34415	0.2
439.35950	1.0
459.32675	0.2
465.37451	0.8
466.37564	0.2
475.35828	0.1
491.35336	0.3
493.36914	0.1
507.38232	0.2
509.40054	0.2
511.38895	0.1
541.38611	0.3
543.40442	0.3
553.38684	0.2
611.43213	0.2
657.44214	0.2
701.42688	0.4
819.47144	0.1
951.53375	0.3
965.53961	0.2
1009.54132	1.1
1027.54724	100.0
1028.54956	15.8
1090.50916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95853	0.5
83.01383	1.8
84.31814	0.2
85.02948	8.7
86.00098	1.1
87.00872	4.9
87.04512	1.1
89.02445	3.0
92.77827	0.2
93.03383	0.3
95.01381	2.8
96.96840	0.2
97.02893	0.5
97.69267	0.2
98.20619	0.3
98.35729	0.2
99.00869	6.9
99.04514	0.3
101.02437	6.1
103.03994	1.6
109.02840	0.3
111.00861	0.8
112.01637	0.3
113.02445	5.5
115.00340	0.3
115.03996	1.5
119.03489	1.0
122.98164	0.2
125.02336	0.2
127.03963	0.3
129.01938	4.4
131.03496	2.8
132.61253	0.2
139.00290	0.3
143.02464	0.2
143.03490	3.3
145.04976	0.5
152.99481	0.6
157.01321	0.5
161.04462	0.5
163.06131	1.5
205.05612	0.2
205.07152	2.3
219.02985	0.2
247.08194	0.3
270.01596	0.2
271.02310	0.4
299.01782	0.3
300.02621	0.3
326.48871	0.2
370.22308	0.2
421.35052	0.2
491.39188	0.3
551.37341	1.6
593.11517	0.3
621.41888	0.9
681.43945	0.2
771.43146	0.5
962.55707	0.2
975.52643	0.3
1019.52161	0.7
1037.53198	23.2
1038.53308	3.5
1079.54456	2.4
1080.53455	0.4
1097.55286	100.0
1098.55591	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	1099.5683
Annotation	Ciwujianoside D1
Peak:m/z	Relative Intensity
83.01389	1.4
85.02943	5.6
86.00097	0.6
87.00871	4.8
87.04517	1.1
89.02438	2.2
95.01382	10.5
95.67184	0.2
97.02914	1.6
98.20661	0.5
99.00877	6.4
99.04533	0.2
101.02434	5.1
103.03989	1.2
111.00862	0.7
112.01648	0.4
113.02450	4.4
113.69997	0.2
115.04029	1.1
119.03490	0.7
123.00883	10.8
125.02451	0.7
126.86403	0.2
130.99843	0.3
131.03514	2.1
134.70035	0.2
137.02473	0.2
139.00330	0.4
141.01900	0.7
143.03491	2.9
145.05049	0.6
147.04524	0.5
157.01366	0.3
161.04553	0.6
163.06099	1.1
203.69525	0.2
205.07167	1.7
310.15750	0.2
355.08566	0.2
362.14221	0.2
439.35724	1.0
509.39639	0.3
604.65680	0.2
652.28430	0.3
895.23071	0.3
925.51172	1.0
937.47626	0.7
938.46759	0.3
987.55365	0.3
1049.53162	2.3
1050.52966	0.7
1055.58667	1.5
1056.60144	0.3
1063.55066	1.5
1081.55786	100.0
1082.56189	17.5
1099.54810	2.8
1100.54272	0.4
1103.03418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
77.82989	0.1
81.03432	0.2
83.00916	0.1
83.01380	1.8
85.02946	6.2
86.00085	0.8
87.00871	4.5
87.04514	1.2
89.02440	6.5
93.03431	0.2
95.01385	2.0
97.02927	0.4
97.06551	0.1
99.00874	7.5
99.04475	0.2
99.82024	0.1
100.01212	0.2
101.02436	8.7
103.03498	0.1
103.04021	1.0
109.02928	0.2
111.00867	0.3
113.02445	5.5
114.92431	0.1
115.00372	0.3
115.03997	1.7
119.03497	2.4
119.05006	0.2
121.02937	0.2
124.88088	0.1
125.02435	0.5
127.04036	0.1
129.01888	0.1
131.02534	0.2
131.03500	3.0
133.02933	0.1
137.02417	0.2
139.00365	0.5
143.02435	0.2
143.03494	3.3
145.05048	0.4
147.04498	0.3
149.02426	0.1
149.04477	0.1
149.06079	0.3
151.03978	0.2
157.01447	0.6
161.02463	0.2
161.04532	0.7
163.04088	0.1
163.06110	0.8
165.01859	0.1
173.04535	0.2
191.01999	0.1
191.03624	0.1
191.05588	0.1
193.04977	0.2
205.07150	2.2
219.02858	0.1
239.03345	0.1
244.89496	0.1
255.02928	0.4
267.06750	0.1
284.03214	0.6
285.04004	0.3
298.01144	0.3
299.05527	0.3
313.03430	0.2
328.05850	0.2
336.31393	0.1
343.08142	0.4
351.10712	0.3
414.51147	0.1
435.32581	0.4
455.35181	0.2
507.24658	0.2
569.38586	0.2
775.42902	0.5
793.44592	0.1
809.88214	0.2
889.14001	0.1
1083.53540	0.5
1101.54785	100.0
1102.55042	18.6
1103.56470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	0.6
83.01384	5.4
85.02950	6.1
86.00092	0.6
87.00875	3.3
87.04509	1.0
88.98792	0.3
89.02440	2.5
95.01392	1.8
96.95995	0.2
97.02938	1.1
99.00877	5.3
99.04534	0.2
101.02442	4.6
103.03990	1.2
111.00890	0.3
113.02447	4.3
115.00367	0.3
115.03988	1.0
119.03471	0.4
119.44744	0.1
125.02443	20.7
126.02807	0.3
127.04041	0.2
131.03500	2.5
139.00430	0.2
143.03491	2.8
145.05070	0.4
157.01430	0.3
161.04532	0.4
163.06117	1.0
205.07167	1.8
235.19693	0.2
307.56332	0.2
337.29330	0.2
398.83740	0.2
565.38684	1.1
635.42804	1.2
679.42346	0.2
725.42432	0.3
831.92627	0.2
1033.53467	1.0
1049.50867	0.2
1051.54736	100.0
1052.55042	16.2
1087.50476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	4.3
75.01304	0.2
78.36790	0.1
79.01870	0.3
81.03431	0.2
83.01379	1.6
84.02154	0.1
85.02944	6.7
86.00087	0.8
87.00871	4.3
87.04507	1.2
89.02440	2.5
93.03428	0.2
95.01381	8.2
95.52214	0.1
96.01721	0.1
96.68721	0.1
97.02940	0.8
99.00874	7.0
99.04469	0.2
100.01209	0.1
101.02436	4.6
103.04010	1.1
103.48375	0.1
109.02929	0.1
111.00873	0.5
111.04513	0.2
112.01637	0.3
112.77813	0.1
113.02441	5.0
115.00343	0.2
115.04008	1.3
119.03480	0.6
119.04998	0.2
121.02886	0.1
123.00878	7.5
124.01180	0.1
125.02441	1.3
127.03999	0.2
129.01900	0.2
131.03496	2.4
137.02403	0.1
139.00333	0.2
140.01118	0.1
141.01935	1.8
143.03488	3.0
145.05035	0.5
147.04495	0.1
149.02371	0.1
157.01370	0.5
159.03046	0.1
161.04559	0.5
163.06110	0.9
191.03545	0.1
205.07144	1.8
224.54141	0.1
233.06541	0.1
246.02774	0.1
247.08199	0.2
272.95767	0.1
348.02795	0.1
405.20395	0.1
439.35522	0.4
509.39590	0.1
563.36755	0.1
705.40405	0.1
723.40912	0.3
817.49750	0.1
907.51398	0.1
978.52527	0.3
979.51447	0.1
987.52423	0.3
1031.52319	1.7
1032.52783	0.1
1049.53137	100.0
1050.53418	15.0
1081.55811	1.5
1082.54968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.5
83.01382	7.6
83.05018	0.1
84.02158	0.1
85.02946	5.6
86.00093	0.8
87.00871	3.8
87.04506	1.1
88.04906	0.1
89.02439	2.3
90.98557	0.1
95.01382	1.9
97.02939	1.9
99.00874	5.2
99.04522	0.3
101.02438	4.1
103.04010	1.0
108.33664	0.1
109.02934	0.1
111.00861	0.3
112.01691	0.2
113.02444	4.4
113.89686	0.1
115.00363	0.3
115.04012	1.3
119.03510	0.6
123.00917	0.1
125.02441	25.8
126.02760	0.4
127.04025	0.2
131.03497	2.3
139.00372	0.3
143.03502	2.7
143.04611	0.2
145.05051	0.5
157.01424	0.4
161.04572	0.5
163.06128	0.8
205.07167	1.9
213.91997	0.1
293.47757	0.1
318.21683	0.1
439.35626	0.2
565.39105	0.8
635.43323	0.4
679.41992	0.1
707.42505	0.1
725.42773	0.2
925.51422	0.3
1033.53394	1.0
1034.54822	0.2
1051.54712	100.0
1052.55078	18.0
1087.51294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.558
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00465	0.3
75.00870	4.2
78.31071	0.1
80.16000	0.1
81.03456	0.2
83.01387	1.7
85.02943	7.2
86.00077	0.9
87.00872	4.4
87.04504	1.4
89.02435	2.9
95.01379	2.2
96.02194	0.2
97.02940	0.5
98.00093	0.3
99.00874	6.2
99.04508	0.3
101.01796	0.3
101.02440	5.2
103.04023	1.1
109.02893	0.2
111.00874	1.5
111.04517	0.7
112.01605	0.3
113.02444	4.8
115.00297	0.2
115.04008	1.1
119.03484	0.8
123.00882	0.4
125.02478	0.7
127.03993	0.3
129.01923	0.3
131.03482	2.5
137.02325	0.1
139.00359	0.3
140.01138	0.7
141.01927	0.3
143.03474	2.7
145.05025	0.6
152.23987	0.1
155.03511	0.8
157.01428	0.4
161.04538	0.6
163.06119	1.1
189.81082	0.1
205.07132	1.8
221.46988	0.2
236.64500	0.2
247.08286	0.2
404.96268	0.1
439.35727	0.8
465.37326	0.4
535.41559	0.2
595.40222	0.9
644.40869	0.2
665.44037	0.4
685.51849	0.2
717.46710	0.2
737.43188	0.3
755.43658	0.4
863.52039	0.5
925.51587	0.4
951.54602	0.3
1063.54846	2.3
1064.55273	0.3
1081.55762	100.0
1082.56128	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	1081.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	5.0
77.82091	0.1
78.95913	0.2
79.01917	0.1
81.03440	0.5
83.01387	1.7
83.05018	0.1
84.02197	0.1
85.02943	7.1
86.00096	0.9
86.03333	0.1
87.00872	4.8
87.04505	1.2
89.02438	2.8
95.01382	16.7
96.01720	0.2
97.02941	0.8
99.00874	7.4
99.04517	0.3
101.02435	5.3
103.04018	1.0
109.02939	0.1
111.00876	0.9
111.04559	0.1
112.01662	0.5
113.02445	4.9
114.02744	0.1
115.00384	0.3
115.04001	1.4
119.03494	0.9
123.00880	17.8
124.01243	0.3
125.02448	1.1
127.03991	0.4
129.01978	0.1
131.03496	2.9
136.01485	0.1
139.00398	0.4
140.01138	0.3
141.01921	1.0
143.03496	3.0
144.00653	0.1
145.05077	0.4
147.04433	0.1
152.99608	0.1
155.03476	0.3
156.04208	0.1
157.01414	0.4
161.04514	0.6
163.06105	1.4
191.01987	0.1
205.07143	2.2
206.18930	0.1
225.01242	0.1
233.06592	0.1
247.08266	0.3
298.92184	0.1
340.78290	0.1
423.32733	0.1
424.73227	0.1
439.35880	1.1
440.36160	0.1
441.37381	0.1
500.32260	0.1
509.39667	0.2
691.31384	0.1
717.45367	0.2
737.42365	0.2
755.44360	0.4
863.51978	0.5
907.50916	0.1
908.52380	0.1
925.51563	2.1
926.52417	0.3
987.52533	0.2
1027.53210	0.1
1031.52917	0.2
1049.53162	6.5
1050.53406	1.1
1059.59314	0.1
1063.54858	2.3
1064.54858	0.3
1081.55737	100.0
1082.56104	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	1081.558
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00866	4.5
79.01888	0.2
81.03455	0.2
81.95683	0.1
83.01388	1.9
85.02943	7.6
86.00097	0.8
87.00874	4.4
87.04501	1.1
89.02438	2.6
95.01385	2.4
96.02180	0.2
96.99310	0.1
97.02950	0.5
98.00077	0.3
99.00874	6.4
99.04474	0.1
100.52067	0.1
101.02438	5.2
101.77012	0.1
103.04009	1.1
109.02941	0.1
111.00877	1.5
111.04493	0.7
112.01662	0.3
113.02441	5.9
115.00347	0.4
115.04005	1.4
119.03493	0.6
123.00891	0.4
125.02423	0.6
127.03991	0.3
129.01927	0.2
131.03493	2.4
139.00334	0.4
140.01155	0.8
141.01970	0.2
143.03485	2.9
145.05057	0.5
155.03499	1.2
157.01434	0.3
161.04543	0.5
163.06123	1.1
169.56345	0.1
197.00288	0.1
205.07159	2.3
242.94225	0.1
247.08125	0.3
256.90399	0.1
274.13181	0.1
326.21259	0.1
372.52365	0.1
439.35895	0.7
441.37454	0.2
465.37250	0.7
509.39810	0.3
535.41412	0.4
550.72247	0.1
595.40027	1.1
656.36243	0.1
665.44354	0.5
717.45343	0.2
737.42767	0.2
755.43689	0.5
863.51294	0.4
895.45435	0.1
925.51447	0.6
935.50122	0.2
951.53833	0.3
987.52319	0.1
1049.54053	0.6
1050.53552	0.2
1063.54895	2.3
1064.55896	0.2
1081.55737	100.0
1082.56104	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	1071.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	5.2
81.03450	0.3
83.01387	1.5
84.02155	0.2
85.02947	8.5
86.00088	0.9
87.00877	4.9
87.04510	1.3
89.02441	3.7
93.03468	0.4
95.01385	2.0
96.96008	0.2
97.02948	0.6
99.00875	5.8
99.04514	0.3
101.02441	6.4
101.03109	0.4
103.04012	1.0
104.04913	0.2
111.00879	0.6
112.01685	0.2
113.02448	5.9
115.00349	0.3
115.04024	1.4
121.02912	0.4
122.69740	0.2
125.02437	0.5
129.01935	0.3
131.03503	3.0
134.03674	0.3
137.02412	0.4
139.00375	0.5
143.03487	3.3
145.02963	0.3
145.05084	0.8
147.04532	0.4
149.02449	0.2
149.06056	0.2
150.03288	0.2
157.01389	0.4
159.04504	0.2
161.02438	0.4
161.04533	0.7
163.04062	0.4
163.06096	1.3
165.01949	0.5
165.05527	0.3
171.04543	0.5
173.04565	0.3
177.05556	0.2
189.01712	0.2
190.99872	0.2
191.05373	0.2
195.06653	0.2
205.07138	2.2
208.10736	0.2
215.03308	0.2
227.03461	0.5
228.04222	0.2
240.04227	1.0
248.51010	0.2
255.02962	0.7
256.03519	0.3
269.04480	0.2
269.08078	0.2
271.02475	0.3
280.73511	0.2
283.02521	0.6
284.03247	8.8
285.03668	0.6
293.08466	0.2
299.02188	0.6
299.05576	8.1
300.02786	0.4
300.06091	0.6
314.04291	0.9
329.06641	1.3
330.07294	0.2
439.35803	0.3
579.17651	0.2
585.41492	1.5
613.09540	0.4
745.45764	0.3
771.25397	0.5
955.48950	0.2
956.48633	0.3
1053.57556	1.5
1071.57483	100.0
1072.57861	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	1069.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	3.4
78.95918	0.5
81.03457	1.2
83.01389	1.2
84.02184	0.4
85.02942	7.6
86.00080	0.7
87.00870	6.0
87.04509	1.1
89.02441	3.2
93.03428	0.5
95.01377	1.8
96.96005	1.3
99.00895	5.6
99.04514	64.0
100.04839	0.9
101.02438	5.9
101.72263	0.4
103.04010	1.5
111.00858	0.5
113.02448	5.0
115.04037	0.9
116.06237	0.4
119.03490	1.0
125.02455	1.0
131.03502	1.8
136.42659	0.4
139.00363	0.4
143.03502	4.0
145.02962	0.4
147.04460	0.7
161.04549	0.6
163.06110	0.8
187.07513	0.4
205.07149	1.5
211.13408	0.6
279.78543	0.4
284.03235	1.0
299.05515	0.4
357.76657	0.4
439.35541	2.1
509.39978	1.3
687.75757	0.4
891.67706	0.4
907.50867	0.9
925.51599	20.1
926.51532	2.8
1051.54968	1.8
1069.55859	100.0
1070.56262	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	1069.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	5.4
75.01303	0.2
81.03436	0.3
83.01382	1.9
84.02158	0.2
85.02945	8.1
86.00096	0.9
87.00872	4.9
87.04505	1.2
89.02435	3.4
91.53841	0.2
95.01379	2.4
96.96003	0.1
96.99309	0.6
97.02948	0.5
99.00878	6.1
99.04494	0.3
101.02434	5.4
101.03100	0.3
103.03999	1.1
111.00878	1.4
112.01661	0.3
112.98814	0.1
113.02442	5.5
115.00346	0.2
115.04005	1.3
119.03490	0.7
121.03050	0.2
123.00874	0.1
125.02451	0.6
127.04029	0.2
129.01939	1.8
129.42842	0.1
129.82863	0.1
131.03491	2.9
139.00328	0.3
143.03503	3.4
145.04997	0.7
149.37787	0.1
157.01408	0.4
161.04550	0.6
163.06110	1.5
176.50099	0.1
205.07164	1.9
211.74840	0.1
223.35057	0.1
233.06683	0.2
247.08148	0.3
367.12234	0.1
439.35660	0.2
583.40027	1.6
653.43762	0.8
688.80365	0.1
697.43335	0.1
725.42407	0.2
743.43805	0.5
769.27460	0.1
863.50464	0.2
923.51758	0.2
925.51477	0.2
975.52698	0.3
1051.54871	4.4
1052.04175	1.3
1052.53247	0.7
1069.55750	100.0
1070.56140	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	1063.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00466	0.4
75.00863	3.2
78.95905	0.4
81.03459	0.4
83.01385	2.1
85.02946	6.4
86.00092	0.6
87.00869	4.4
87.04521	0.5
89.02433	2.7
95.01379	2.0
96.95992	0.9
97.02934	0.3
99.00874	6.7
101.02442	4.7
103.04011	1.4
106.47164	0.3
111.00882	0.3
113.02447	5.5
115.03994	0.9
119.03464	0.8
129.01996	0.4
131.03477	2.2
139.00317	0.4
139.14967	0.3
143.03502	2.7
147.04453	0.4
147.54588	0.3
157.01364	0.7
161.04532	0.4
163.06119	1.0
205.07124	1.6
284.03366	0.3
299.05307	0.3
407.50891	0.3
439.35687	1.0
465.37228	0.7
509.40436	0.4
535.42096	0.4
541.39771	0.3
701.42914	0.6
751.22729	0.3
856.57495	0.3
951.53418	0.4
965.54840	0.4
1009.53796	0.7
1027.54712	100.0
1028.55005	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	1069.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00870	0.8
83.01379	3.2
85.02949	7.4
86.03252	0.3
87.00860	1.9
89.02444	7.2
93.03456	0.6
95.01380	1.4
97.02934	0.7
99.00876	2.0
101.02438	15.3
111.00870	0.5
113.02452	10.6
119.03499	4.1
125.02528	0.7
129.01942	0.4
131.03484	1.0
133.02979	0.4
137.09717	0.5
143.03517	1.7
145.02931	0.4
149.04527	1.9
155.03479	0.5
159.02977	1.3
161.04562	7.2
163.00366	0.4
167.36993	0.3
179.05595	1.1
190.99878	2.2
191.01721	0.5
191.05624	0.5
197.06378	0.6
199.04051	0.6
200.04819	1.0
203.05634	0.3
209.02989	0.3
209.15515	1.6
211.03934	0.4
221.06674	1.0
225.14928	1.0
226.15219	0.4
227.03433	1.7
227.16548	0.7
228.04265	2.7
239.03448	1.1
240.04269	6.3
252.54034	0.4
255.02887	2.1
256.03677	1.3
283.02441	2.7
284.03241	65.4
285.03589	4.4
286.03891	0.8
293.08740	1.2
299.05585	100.0
300.03140	0.3
300.05933	7.4
301.06235	1.0
315.42108	0.4
331.38190	0.4
351.10641	0.4
360.24786	0.4
369.19229	0.4
370.19733	0.4
371.20688	8.0
372.21118	0.3
387.20532	0.7
388.20642	0.6
389.21780	15.4
390.22104	0.4
429.21210	2.2
430.21475	1.4
431.22809	61.4
432.23129	4.2
433.20737	1.1
475.22043	1.3
1069.38586	0.4
1095.22498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	4.9
83.01376	1.9
85.02946	8.3
85.03466	0.4
85.55263	0.3
86.00096	1.0
87.00869	5.2
87.04521	0.9
89.02447	3.1
95.01397	2.1
96.96037	0.3
96.99306	0.5
98.20630	0.6
99.00872	6.1
99.04530	0.4
101.02436	6.1
103.04005	1.0
111.00876	1.8
113.02448	5.3
115.00349	0.4
115.04035	1.4
119.03484	0.6
125.02431	0.5
129.01927	2.0
131.03461	2.4
143.03485	3.5
145.05070	0.4
157.01320	0.5
161.04512	0.4
163.06117	1.3
205.07162	1.7
247.08250	0.7
290.45654	0.3
299.01318	0.3
368.22311	0.3
399.62244	0.3
424.85605	0.3
583.39905	1.5
653.44757	0.6
731.81061	0.5
944.85931	0.4
1009.53595	0.5
1051.54822	2.6
1069.55750	100.0
1070.56042	13.8
1107.11157	0.4
1108.11890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	1.7
73.02554	0.2
73.02944	2.9
75.00872	5.4
81.03471	0.3
83.01378	2.1
84.02187	0.2
85.02950	8.4
86.00094	1.0
87.00339	0.3
87.00874	5.1
87.04504	1.4
89.02437	3.7
89.03261	0.2
95.01385	2.6
96.95993	0.1
97.02953	2.0
99.00878	6.3
99.04530	0.3
99.92566	0.5
101.02441	6.2
103.04012	1.4
109.02941	0.2
111.00797	0.2
112.01669	0.4
113.02448	6.2
114.02707	0.2
115.00372	0.2
115.04002	1.4
116.92846	2.3
118.36923	0.1
119.03512	1.0
125.02444	4.2
127.04020	0.2
129.01878	0.2
131.03496	3.3
139.00352	0.2
143.03487	3.6
145.05011	0.5
157.01399	0.5
157.71182	0.2
161.04504	0.5
163.06123	1.5
205.07172	2.3
247.08266	0.3
314.04364	0.2
465.37375	0.7
565.38928	2.3
566.39044	0.3
635.43188	0.8
679.41449	0.2
707.40784	0.2
725.42737	0.4
728.03247	0.2
989.54968	0.2
1033.54163	2.4
1034.54028	0.3
1051.54749	100.0
1052.55054	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	1051.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	1.3
73.02953	3.2
75.00867	4.8
75.69532	0.2
78.95860	0.3
81.03444	0.3
83.01391	2.4
85.02950	8.4
86.00098	1.2
87.00881	4.7
87.04502	1.0
89.02444	4.0
93.03446	0.4
95.01398	2.4
96.96001	0.8
97.02351	0.3
97.02953	3.4
99.00879	6.4
99.04533	0.4
101.02445	6.0
103.04023	1.3
111.00860	0.4
111.08208	0.3
112.01637	0.2
113.02445	5.7
115.00399	0.3
115.04019	1.3
119.03490	0.9
121.02941	0.2
123.00879	0.3
124.88009	0.2
125.02446	5.4
127.04016	0.4
130.99812	0.4
131.03514	3.1
137.02451	0.3
139.00388	0.4
143.03493	3.0
145.05092	0.5
147.04553	0.4
153.81931	0.2
157.01425	0.5
161.02463	0.3
161.04565	0.6
163.06110	1.5
167.05060	0.2
175.03981	0.3
180.62582	0.2
200.96881	0.2
205.07190	2.0
284.03156	0.5
299.05624	0.4
329.06561	0.2
343.58826	0.2
403.15240	0.2
439.35809	0.2
465.37405	0.3
552.84485	0.3
565.38898	1.2
565.46729	0.3
635.42920	0.4
713.46997	0.3
725.43262	0.4
803.53381	0.4
863.51550	0.3
890.09131	0.3
1023.00806	0.2
1033.54248	2.1
1051.54797	100.0
1052.55090	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	1039.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	1.8
73.02940	4.4
75.00871	6.8
75.01304	0.3
79.95748	0.1
81.03459	0.3
83.01382	2.8
83.05050	0.2
84.02161	0.2
85.02947	11.4
86.00089	1.3
87.00876	6.8
87.04512	1.6
88.01214	0.2
89.02444	5.5
93.03423	0.2
95.01382	3.0
96.96001	1.6
97.02948	0.8
98.20668	0.2
99.00877	8.7
99.04515	0.4
101.02442	7.9
103.04018	1.9
109.02900	0.2
111.00871	0.5
112.01672	0.3
113.02448	7.8
115.00381	0.3
115.03998	1.9
118.34800	0.1
119.03508	1.1
125.02406	0.5
127.03977	0.2
129.01888	0.2
131.03491	3.6
137.02419	0.2
139.00365	0.4
143.03494	4.4
143.04625	0.2
145.05078	0.7
157.01410	0.8
161.04553	0.9
163.06114	1.3
173.06050	0.1
182.17061	0.1
205.07158	2.6
209.11699	0.2
214.21281	0.1
247.08195	0.3
255.03067	0.2
284.03198	0.2
371.80869	0.1
405.31491	0.3
447.16763	0.2
467.31830	0.3
507.34787	0.4
509.32669	2.8
510.32837	0.3
511.34116	0.3
518.73883	0.1
537.35986	0.3
579.36945	0.9
580.36719	0.1
607.36609	0.1
651.35529	0.3
669.36432	0.4
875.18024	0.1
933.48584	0.4
953.47614	1.8
954.48706	0.2
977.47723	1.8
978.47919	0.3
995.48468	100.0
996.48859	13.1
1021.44183	0.3
1039.47717	2.5
1040.46912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
72.88132	0.3
72.99297	1.8
73.02946	3.6
75.00867	6.2
78.95898	0.5
83.01359	2.2
85.02944	9.9
86.00102	1.0
87.00867	4.9
87.04520	1.4
89.02431	4.5
95.01382	2.8
97.02943	0.5
99.00877	6.0
101.02433	7.3
103.04011	1.7
111.00856	0.4
113.01732	0.4
113.02453	6.0
115.03997	1.1
119.03467	1.2
125.02399	0.4
131.03491	3.5
132.80298	0.3
139.00423	0.3
143.03510	3.1
145.05009	0.6
156.54509	0.3
156.81310	0.3
161.04599	0.6
163.06111	1.1
205.07143	2.5
208.65208	0.4
247.08368	0.4
439.17682	0.4
555.40417	2.6
625.44684	1.1
715.44366	0.5
979.56091	0.5
1000.50378	0.4
1023.56183	2.2
1041.56311	100.0
1042.56641	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	1043.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.6
85.02937	0.2
85.29428	0.2
87.00886	0.2
93.03468	0.4
99.66182	0.2
101.23940	0.2
102.18711	0.1
107.01391	2.0
108.02177	0.8
109.02976	0.8
111.00953	0.2
121.02953	1.1
135.00887	0.7
147.04482	0.2
148.01639	0.9
149.02434	0.3
149.06093	0.5
151.00368	7.2
152.88460	0.2
159.04530	0.2
163.00381	1.7
164.01137	0.6
165.01915	0.3
169.01399	0.3
173.04588	0.2
174.03294	0.2
175.03970	0.3
177.53017	0.2
178.99873	3.8
187.03955	0.3
190.99817	0.2
191.05630	0.3
193.01366	0.3
198.03145	0.3
199.03992	0.6
201.05551	0.4
203.03511	0.4
211.03987	1.0
213.05385	0.2
215.03586	0.4
216.04303	0.3
219.03030	0.2
226.02724	1.1
227.03470	4.2
228.03978	0.2
229.05040	0.7
239.03511	0.3
243.02982	6.1
244.03629	0.5
245.04482	0.6
254.02228	1.4
255.02982	22.0
256.03537	1.0
257.04544	0.5
262.47263	0.2
271.02463	37.5
272.02963	2.6
273.03915	0.6
283.02386	0.9
284.03247	6.2
285.04001	2.1
299.02063	0.9
300.02737	76.3
301.03476	29.0
302.03799	0.9
343.04572	0.4
343.08264	0.6
463.08783	100.0
464.09125	5.7
579.13513	8.6
580.13916	0.6
590.87073	0.2
797.80035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00893	0.2
78.28777	0.1
85.02949	0.3
87.00875	1.1
95.03162	0.1
97.93133	0.3
99.00862	0.2
99.92580	20.3
100.92599	0.6
100.93243	0.1
101.02430	0.1
113.02429	0.2
114.93422	1.0
115.92070	0.7
116.92854	100.0
117.01948	0.2
117.92864	2.2
119.98405	0.1
121.02936	0.1
130.99841	0.4
141.93657	0.1
163.27231	0.1
178.41460	0.1
196.86739	0.1
247.48331	0.1
254.04306	0.2
339.22958	0.1
678.24591	0.1
717.92871	0.1
925.51532	2.7
926.51996	0.6
927.52765	0.2
998.96790	0.1
1025.44226	5.2
1026.43506	0.6
1043.49536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99296	1.4
73.02943	3.3
73.03356	0.2
75.00867	5.6
79.01880	0.2
81.03439	0.3
83.00913	0.1
83.01379	2.0
84.02164	0.1
85.02946	8.2
86.00088	0.9
87.00873	4.8
87.04514	1.2
88.01186	0.1
89.02440	3.3
93.03438	0.1
95.01383	9.8
96.96049	0.1
97.02937	1.0
98.03335	0.1
99.00877	9.3
99.04515	0.3
101.02439	5.7
103.03998	1.4
103.87579	0.1
103.94655	0.1
109.02921	0.2
111.00894	0.5
112.01622	0.3
113.02446	5.7
115.00345	0.3
115.03999	1.4
119.03514	0.9
119.05018	0.2
119.92130	0.1
123.00880	8.3
123.04459	0.1
125.02446	1.5
127.03983	0.3
129.01949	0.2
130.70534	0.1
131.03496	2.9
133.02965	0.1
137.02423	0.1
139.00354	0.3
140.01152	0.2
141.01932	1.8
143.03491	3.0
145.05054	0.6
147.04524	0.1
149.02435	0.1
157.01433	0.6
161.04579	0.6
163.04027	0.2
163.06108	1.3
187.19014	0.1
191.03534	0.1
205.07130	2.1
230.02502	0.1
247.08200	0.3
279.83234	0.1
313.39975	0.1
327.22131	0.1
439.35635	0.4
473.24509	0.1
509.40173	0.1
563.37268	0.2
705.40082	0.2
723.41119	0.6
903.47278	0.1
925.51654	0.1
935.31848	0.1
978.52838	0.3
987.53217	0.4
1013.52997	0.1
1031.52380	2.3
1032.51978	0.3
1049.53174	100.0
1050.53455	16.1
1051.54163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99290	1.3
73.02944	3.1
75.00867	4.8
81.03445	0.2
83.01382	2.0
84.02115	0.2
85.02946	7.3
86.00095	1.0
87.00872	4.6
87.04510	1.5
88.40278	0.1
89.02438	3.4
94.84129	0.1
95.01387	2.3
97.02944	3.3
99.00878	6.0
99.04481	0.2
101.02435	5.5
103.04012	1.5
111.00876	0.4
112.01642	0.3
113.02444	5.3
115.00334	0.2
115.03999	1.8
119.03508	0.9
125.02438	4.7
127.04020	0.2
129.01945	0.2
131.02554	0.2
131.03494	2.4
139.00337	0.4
142.02655	0.2
143.02426	0.2
143.03490	3.1
145.05072	0.6
157.01414	0.8
161.04510	0.5
161.16394	0.1
163.06104	1.2
205.07137	2.0
247.08153	0.3
298.18851	0.1
377.73380	0.1
439.35794	0.2
465.37036	0.2
535.41589	0.2
565.38916	1.1
635.43213	0.5
707.41473	0.1
717.45483	0.1
725.42731	0.6
863.51416	0.3
951.54089	0.3
989.54028	0.2
1033.53577	2.3
1034.53760	0.3
1051.54688	100.0
1052.54993	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	1051.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	1.3
73.02944	3.2
75.00868	5.3
78.53407	0.1
79.01878	0.1
81.03455	0.8
83.01381	7.2
83.05019	0.1
85.02943	8.3
86.00092	1.1
87.00871	4.5
87.04507	1.5
89.02442	3.3
93.03511	0.1
95.01387	2.1
96.48795	0.1
97.02937	1.7
97.03498	0.1
97.82762	0.1
98.20539	0.1
99.00874	7.1
99.04505	0.4
101.02438	5.4
103.04013	1.3
107.01398	0.1
109.02943	0.2
111.00897	0.3
112.01647	0.1
113.02444	5.4
115.00386	0.3
115.04005	1.6
119.03505	0.9
123.00883	0.2
123.97378	0.1
125.02439	26.1
126.02767	0.4
127.03939	0.1
129.01935	0.2
131.03491	3.1
135.04376	0.1
139.00359	0.4
143.03490	3.5
145.05031	0.6
157.01431	0.5
161.04582	0.5
163.06117	1.3
205.07152	2.2
206.74701	0.1
208.18108	0.1
247.08234	0.2
298.13910	0.1
439.35950	0.3
505.17517	0.1
556.06116	0.1
565.38861	1.2
566.39594	0.2
635.43073	0.8
636.43323	0.1
679.41895	0.3
707.41663	0.2
725.43024	0.5
863.52600	0.1
905.50385	0.1
925.51550	0.6
926.51813	0.1
1033.53674	2.0
1034.54138	0.4
1036.82983	0.1
1051.54700	100.0
1052.55017	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	1027.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	4.9
72.99285	0.4
73.02946	1.2
75.00876	1.3
83.01333	0.3
85.02963	2.6
87.00871	2.9
88.98804	100.0
89.02436	1.2
89.61635	0.3
89.99148	0.7
90.14254	0.3
93.03470	0.3
94.92545	0.3
95.01383	0.7
99.00874	2.4
100.02866	0.2
101.02470	2.4
103.04020	0.4
108.02177	0.3
110.53161	0.3
113.02431	1.9
115.04037	0.6
119.03456	0.4
121.02921	0.4
130.99873	0.7
131.03496	1.0
137.02386	0.4
137.12547	0.3
143.03485	1.2
147.04539	0.7
163.06145	0.4
184.78661	0.3
205.07158	0.8
211.13336	0.5
243.87892	0.3
451.32104	0.7
479.08347	0.3
521.36548	0.6
585.42175	0.3
744.22174	0.3
911.14819	0.4
919.45703	0.3
937.47961	37.8
938.48450	6.0
939.49390	1.3
1009.47430	1.4
1027.54688	7.1
1028.54529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	17.5
72.99297	1.9
73.02941	5.0
75.00873	6.9
76.84004	0.2
81.03445	0.4
83.01388	2.4
85.02947	10.8
86.00069	1.1
87.00880	6.2
87.04516	1.8
89.02447	4.6
95.01376	3.1
97.02946	0.5
98.20631	0.4
99.00880	8.1
99.04505	0.2
101.02444	8.1
103.04015	1.7
111.00857	0.5
112.01667	0.5
113.02452	6.8
115.00374	0.3
115.04015	2.9
119.03481	1.3
125.02451	0.5
127.04021	0.4
131.03500	3.6
139.00383	0.4
143.03503	3.9
145.05040	0.8
157.01382	0.5
161.04558	0.9
163.06129	1.3
173.60228	0.2
205.07205	2.7
247.08099	0.4
428.13791	0.2
437.34229	0.3
455.35327	0.3
497.36569	2.1
525.39319	0.2
532.72040	0.2
567.40588	1.3
568.41248	0.2
583.88385	0.2
611.39911	0.3
639.39807	0.2
651.88538	0.2
657.40106	0.5
776.19104	0.2
879.50665	0.3
941.50891	1.7
962.62939	0.2
965.50562	1.6
966.51166	0.4
983.52167	100.0
984.52478	13.7
1027.50818	1.5
1028.49866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02964	0.1
75.00873	0.3
78.95918	0.5
79.95731	7.8
84.21029	0.1
85.02943	0.4
86.49310	0.1
87.00878	0.5
88.99294	0.1
89.02435	0.3
92.85646	0.1
94.98074	0.4
95.01393	0.2
96.96004	100.0
97.93114	0.1
97.95928	0.2
99.00882	0.4
101.02436	0.4
103.03989	0.1
105.03448	0.1
113.02429	0.5
114.93333	0.2
120.61839	0.1
130.99832	0.2
131.03464	0.1
137.02391	0.2
139.03947	0.1
143.03488	0.2
147.04517	0.6
148.05211	0.2
205.07108	0.1
211.13354	0.1
236.03180	0.2
254.04263	0.1
257.52631	0.1
521.37067	0.1
607.25647	0.1
625.31213	0.1
937.47980	4.8
938.48291	1.0
1035.44824	1.1
1036.45129	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	16.5
71.53621	0.3
72.99311	1.5
73.02938	4.0
75.00867	8.8
77.13848	0.3
81.03434	0.3
83.01394	2.5
84.02168	0.3
85.02945	11.5
86.00089	1.0
87.00873	5.5
87.04499	1.2
89.02444	2.1
95.01377	2.2
97.02944	5.6
99.00871	8.9
99.04514	0.3
101.02435	2.3
103.03983	0.7
103.40170	0.3
111.00894	0.5
112.01569	0.3
113.02444	6.3
113.70604	0.3
115.00338	0.3
115.03977	1.3
119.03451	0.4
125.02437	8.9
131.03484	4.7
133.04999	0.3
139.00418	0.3
143.03497	3.4
145.05052	0.8
147.04483	0.4
157.01416	0.4
163.06082	0.9
189.05481	0.3
201.58728	0.3
205.07152	1.5
271.02344	0.3
272.68863	0.3
313.03513	0.6
321.18661	0.3
324.86923	0.3
415.61884	0.3
463.19958	0.3
565.38794	1.0
705.13208	0.3
830.77917	0.3
1003.52814	1.5
1021.53711	100.0
1022.53845	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	1023.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.6
73.02943	0.2
75.00865	0.2
78.07569	0.1
78.95890	0.6
79.95733	7.1
83.01367	0.1
85.02936	0.5
87.00859	0.7
89.02467	0.1
94.98086	0.3
95.01366	0.2
95.97569	0.1
96.96005	100.0
97.93123	0.2
97.95948	0.2
98.20580	0.2
99.00903	0.3
101.02436	0.2
103.04038	0.1
113.02431	0.2
113.92619	0.1
114.93370	0.4
130.99864	0.1
131.03453	0.1
143.03473	0.1
159.04456	0.1
161.04688	0.1
161.06032	0.1
173.06133	0.1
185.06107	0.1
187.07709	0.1
189.59811	0.1
197.05997	0.1
201.09196	0.1
211.13533	0.1
214.06258	0.1
229.08505	0.1
268.06812	0.1
298.15268	0.1
439.35666	0.2
509.39984	0.1
518.12610	0.1
534.11108	0.1
592.61713	0.1
925.51532	3.8
926.51886	0.5
987.43958	0.1
1005.43939	0.4
1023.46472	1.4
1024.46924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.1
72.99298	0.7
83.01369	0.6
87.04512	2.7
89.02431	0.6
92.99812	0.4
95.01404	1.3
96.96011	0.2
96.99290	1.1
101.02447	0.5
108.99290	0.3
109.02945	0.6
110.00093	12.4
111.00879	3.0
113.02440	1.0
119.01357	0.2
120.99290	0.5
122.00083	0.8
123.00909	1.1
124.98816	0.3
125.02428	0.5
125.99574	1.4
136.98799	4.1
137.02409	1.9
137.99609	1.6
139.00371	6.1
140.01147	3.6
141.01973	0.5
141.99022	1.1
143.04987	0.7
146.03770	1.1
147.04536	0.3
148.01620	0.4
151.00377	0.3
152.01134	0.3
153.99074	0.2
155.02263	0.4
155.03497	6.6
155.04781	0.3
159.04492	1.3
161.99553	0.7
163.00386	1.7
164.98270	2.9
165.99065	27.8
166.99847	3.4
167.05013	0.5
168.00581	0.7
171.04520	2.0
172.05293	4.6
173.06026	0.9
174.03133	0.8
174.06789	0.5
175.03986	0.4
180.00594	0.2
181.01414	8.3
183.04456	0.9
184.05246	0.6
185.06068	2.9
186.06828	2.0
187.04013	1.1
192.00578	0.4
195.04468	0.8
196.05275	0.8
197.06061	0.7
198.03247	2.8
199.02351	0.2
199.03986	4.4
199.07658	1.1
200.04773	12.7
201.05490	2.1
201.09160	0.5
204.04228	0.2
207.03032	0.3
209.06055	0.3
211.04007	1.3
212.04767	0.8
213.05554	7.7
213.09061	0.4
214.02650	0.3
214.06172	1.1
215.03539	1.1
218.05772	0.4
224.04811	0.5
225.01962	0.3
225.05508	0.3
226.02603	0.5
226.06323	0.4
227.03481	4.0
227.07011	0.5
227.10765	0.3
228.04227	0.3
237.05504	0.3
238.06277	0.4
239.03337	0.6
240.04253	0.9
242.02116	0.3
243.02917	2.7
244.03256	0.3
249.05411	0.3
252.04306	0.2
252.07742	0.3
253.01366	0.4
253.05115	0.3
255.03014	3.0
255.13826	2.4
263.07251	0.2
267.02875	0.3
267.06290	0.2
268.03674	0.3
269.11807	0.4
269.15454	0.5
270.01764	0.3
271.02472	6.0
271.13525	0.5
272.02917	0.4
277.05069	0.3
277.21707	1.6
279.02945	0.3
279.06473	0.2
280.03809	0.5
281.00620	0.3
281.11774	0.7
281.15149	0.5
282.01709	0.5
283.13318	0.8
287.12909	0.4
291.06503	0.2
292.03870	0.3
293.04568	0.7
295.02524	0.7
295.06024	0.5
295.13385	0.4
296.03290	2.9
297.14917	2.6
298.01169	0.7
299.01935	13.7
299.12885	0.8
299.16141	0.3
300.02451	0.7
301.14478	0.3
306.05157	0.3
307.06015	0.3
307.13483	1.4
311.12808	0.3
313.03470	1.3
314.04303	19.3
315.04550	1.0
315.15961	1.0
319.06253	0.3
321.04025	0.4
323.01828	0.5
323.12717	0.5
324.02728	8.9
324.13428	0.3
325.03473	1.3
325.14423	19.6
326.14700	0.9
335.05457	0.5
336.06488	0.5
338.04333	1.1
339.05042	5.2
342.14838	0.2
343.15475	5.6
344.15842	0.5
349.03339	0.2
349.07104	0.3
349.14297	0.3
351.05344	0.4
351.12366	1.6
365.13885	0.3
366.03693	0.6
367.04514	4.0
368.05328	0.3
369.13297	0.8
381.06158	0.5
382.06989	0.5
405.13382	0.6
417.18784	0.4
449.12436	0.9
463.14017	0.4
467.13617	0.5
507.16660	3.6
508.16733	0.3
525.17676	1.0
579.24298	1.1
605.22943	0.3
743.25952	0.9
761.26617	8.2
762.26746	0.9
839.45648	3.8
840.46185	0.3
859.43994	1.1
865.43872	1.6
919.66888	0.3
964.44183	0.6
977.47351	0.5
993.47156	0.3
1003.47253	0.6
1006.46027	0.5
1021.47949	100.0
1022.48230	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	1019.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.9
83.01357	0.4
83.05038	0.3
85.02942	0.9
87.00872	100.0
88.01217	0.9
89.02441	0.3
91.05543	0.4
93.03437	0.6
95.01365	0.3
96.96011	0.3
97.06564	0.3
97.36379	0.3
99.00848	0.3
101.02415	0.3
105.03433	0.2
107.05013	0.5
112.05239	0.2
113.02424	0.5
115.67083	0.2
117.96809	0.2
119.05009	0.6
121.02920	1.7
122.03745	3.1
124.01691	0.4
125.02453	0.4
126.82355	0.2
130.99860	58.4
132.00616	1.1
133.02950	1.0
134.03775	0.4
135.04489	1.7
136.01678	0.3
137.02420	1.9
139.04004	0.4
145.02908	0.6
146.03690	0.4
147.04530	3.6
148.05324	1.2
149.02408	0.6
149.06039	0.8
154.02692	0.9
161.02452	0.3
163.03951	0.8
164.04738	0.5
165.01801	0.3
165.04007	0.3
165.98984	0.3
172.05292	0.4
173.04515	0.6
174.03246	0.3
175.04051	0.4
180.04135	0.3
190.06348	0.3
191.03482	0.5
191.05531	0.6
191.10814	0.3
192.04289	0.6
193.05042	0.6
199.07722	0.3
201.09221	1.3
202.09590	0.3
211.07329	0.3
214.89005	0.3
219.10242	0.5
227.03494	1.0
227.10532	0.3
228.03850	0.4
228.07726	0.3
243.10300	0.4
254.04297	93.9
255.02666	0.8
255.05029	2.3
256.03482	0.6
257.03906	0.3
271.09729	0.4
273.07672	0.5
284.00345	0.4
284.03275	4.6
285.03674	1.5
286.03903	0.7
299.05554	2.3
300.02631	0.3
300.05939	0.5
333.09543	1.1
351.10809	57.5
352.11176	2.3
425.11557	0.2
539.68109	0.2
553.79840	0.3
554.25751	0.3
606.93933	0.2
708.18793	0.5
709.19086	0.7
777.24487	0.2
955.48096	0.3
956.49506	0.7
1019.27856	0.8
1019.44824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.6
71.53587	0.3
72.99282	0.5
76.28928	0.2
78.95924	0.2
82.00585	0.3
83.01373	0.3
85.02940	0.4
87.00856	0.3
87.04505	1.7
92.99791	0.4
95.01377	1.2
96.99286	0.7
101.02426	0.4
105.56078	0.2
110.00089	10.3
111.00885	3.0
113.02437	0.7
120.99320	0.3
122.00103	0.5
123.00848	0.6
124.01640	0.2
124.98788	0.4
125.02471	0.2
125.99564	0.8
130.08876	0.2
136.98807	3.7
137.02441	1.6
137.99579	1.4
139.00363	5.3
140.01176	3.0
141.01921	0.5
141.99055	0.7
143.04994	0.5
146.03740	1.0
147.04541	0.2
148.01736	0.3
152.01144	0.2
153.01949	0.2
153.99081	0.3
155.03499	5.2
159.04486	1.1
160.05243	0.5
161.99533	0.4
163.00357	1.0
164.98245	2.3
165.99066	22.1
166.99846	2.7
167.04977	0.5
168.00592	0.9
171.04497	1.6
172.05292	3.6
173.06018	0.7
174.03217	0.5
174.06805	0.4
180.00633	0.2
181.01413	7.0
182.03613	0.2
183.04442	0.7
184.05264	0.5
185.06047	2.4
186.06865	2.0
187.03984	1.2
192.00697	0.3
195.04500	0.7
196.05244	0.6
197.02431	0.3
197.05994	0.6
198.03209	1.8
198.06422	0.2
199.02412	0.4
199.04008	3.4
199.07611	0.6
200.04771	11.4
201.05490	1.5
207.02890	0.3
209.06032	0.4
211.03929	0.8
212.04790	0.8
213.05551	6.4
213.08939	0.3
214.06183	0.5
215.03464	1.0
218.05702	0.3
223.07465	0.3
224.04755	0.4
225.02052	0.3
225.05486	0.4
226.02750	0.5
227.03444	2.7
227.07114	0.6
238.06233	0.3
239.03389	0.4
240.04192	0.7
241.04907	0.2
243.02975	2.2
251.03477	0.3
252.04317	0.3
253.01512	0.3
253.05028	0.4
255.02979	2.7
255.13838	2.6
265.05130	0.3
267.03043	0.3
267.06583	0.3
268.03720	0.2
269.11847	0.5
269.15234	0.3
270.01654	0.4
271.02438	4.6
271.13419	0.4
272.02936	0.3
277.05115	0.3
277.21704	2.7
280.03732	0.2
281.11774	0.8
281.15433	0.6
282.01669	0.5
283.13266	0.7
284.03159	0.4
290.05807	0.2
292.07370	0.4
293.04465	0.6
294.05368	0.3
295.02481	0.4
295.05817	0.4
295.13232	0.4
296.03278	2.8
297.14911	1.8
298.01016	0.5
299.01944	11.5
299.12857	0.6
300.02264	0.9
307.05966	0.4
307.13345	1.1
311.12793	0.3
313.03442	0.9
314.04297	16.7
315.04736	0.7
315.16061	0.3
321.04007	0.3
323.02197	0.4
323.05457	0.3
323.12799	0.7
323.98993	0.4
324.02710	7.3
324.13559	0.5
325.03259	0.8
325.14413	17.5
326.14783	0.9
335.05634	0.3
336.06210	0.4
338.04153	0.8
339.05032	5.1
340.05502	0.3
343.15482	3.3
351.05048	0.3
351.12341	1.2
366.03696	0.5
367.04544	2.9
369.13464	0.4
377.06439	0.3
381.05960	0.8
382.06909	0.6
405.13116	0.4
448.11383	0.4
449.12454	1.1
463.13480	0.4
467.13205	0.2
493.14188	0.2
507.16537	5.3
508.17126	0.4
525.17328	0.5
579.24353	0.8
644.29590	0.2
743.25305	0.7
761.26569	3.7
813.43884	0.2
839.45770	4.1
840.45325	0.4
859.42480	0.6
865.44031	1.2
964.43909	0.3
977.47827	0.4
993.49109	0.5
1003.46643	0.6
1006.45587	0.6
1021.47931	100.0
1022.48114	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	1007.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00957	0.2
71.01373	4.5
72.91660	0.1
72.99295	0.3
73.02943	4.5
83.01389	1.8
85.02945	0.9
87.00851	0.3
89.02448	1.1
93.03439	0.5
95.01355	0.3
97.02943	0.2
98.19791	0.3
99.00864	0.2
101.02439	5.6
113.02448	2.3
119.03503	0.7
125.02413	0.4
131.03461	0.5
132.02153	0.5
133.02916	0.6
135.00873	0.3
136.98833	0.1
141.03439	0.1
143.03522	0.7
143.04929	0.3
149.04559	1.4
149.99561	0.1
151.00378	0.2
155.03516	0.3
155.04860	0.2
159.04369	0.2
160.01633	0.1
161.04535	2.3
161.99585	0.3
163.00381	0.9
164.01073	0.2
167.04961	0.2
171.04457	0.3
173.04489	0.4
174.03165	0.2
175.04062	0.2
183.04434	0.6
184.05286	0.5
187.04044	0.3
189.99028	0.2
190.99843	2.5
191.05611	0.9
197.06075	0.2
199.03960	0.7
200.04776	1.5
201.05014	0.2
203.03665	0.2
203.05522	0.7
209.02695	0.1
210.03249	0.2
211.04001	1.5
212.04669	0.6
221.06601	0.5
224.04793	0.2
225.05580	0.5
227.03473	3.9
228.04266	2.8
229.62595	0.2
232.03548	0.2
237.05537	0.2
238.02721	0.2
239.01279	0.1
239.03484	2.6
240.04248	7.9
241.04495	0.3
253.04996	0.7
255.02966	5.2
256.03625	1.4
266.02219	0.3
267.03009	0.3
268.03732	2.2
269.04419	0.5
280.03830	0.6
281.04428	0.6
282.01788	0.1
282.05075	0.2
283.02499	13.5
283.05975	1.3
284.03238	89.2
285.03598	4.2
296.03198	0.5
297.04019	1.6
298.04807	16.6
299.05579	100.0
300.05942	4.7
304.30627	0.1
306.05316	2.3
307.05582	0.2
309.04013	0.7
311.05685	0.2
313.07166	0.5
320.14554	0.1
321.04037	0.2
321.07654	2.5
322.08035	0.2
326.04318	0.5
341.06641	29.0
342.06998	1.6
350.04257	0.6
353.10287	0.2
365.06464	0.8
376.61316	0.1
383.07724	0.7
415.23431	0.5
443.09735	0.5
503.12024	1.0
545.16290	0.1
546.16956	0.3
547.17114	0.1
845.05945	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.6
72.99281	0.2
73.02946	0.5
75.00867	0.8
80.30367	0.1
83.01379	0.4
85.02946	0.9
87.00866	0.9
88.98799	100.0
89.02443	0.6
89.99119	0.7
90.00718	0.2
95.01371	0.4
98.20631	0.6
99.00883	0.9
101.02451	1.1
103.04003	0.2
113.02432	0.7
131.03502	0.4
143.03462	0.6
161.04489	0.2
163.06100	0.3
165.03944	0.2
171.31470	0.1
205.07132	0.4
215.66608	0.2
223.15414	0.2
229.93802	0.2
261.73956	0.2
358.07327	0.1
402.41684	0.1
439.35541	0.2
509.39670	0.3
784.65637	0.1
789.06921	0.1
925.51532	21.9
926.51904	3.5
927.52692	0.3
1015.51117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37501	1.2
71.01378	11.9
72.99317	1.2
73.02940	3.3
74.78374	0.2
75.00868	4.6
83.01376	1.9
85.02947	7.1
85.03466	0.4
86.00088	0.6
87.00873	3.9
87.04498	1.1
89.01932	0.3
89.02438	3.7
95.01387	2.1
97.02937	0.3
98.19952	0.4
99.00875	5.8
99.04490	0.2
101.01793	0.3
101.02441	5.3
103.04016	1.5
111.00878	0.4
112.01651	0.2
113.02444	5.6
115.04002	1.6
119.03486	0.7
119.56023	0.2
122.53513	0.2
127.03958	0.2
129.01878	0.3
131.03497	2.6
139.00348	0.5
142.11005	0.2
143.03496	3.5
145.05049	0.5
157.01363	0.5
161.04520	0.7
163.06142	1.1
204.85385	0.2
205.07153	2.2
247.08205	0.2
274.32321	0.2
304.01099	0.2
306.65143	0.2
339.27103	0.2
451.32114	3.1
452.32077	0.4
521.36273	2.0
522.36969	0.3
531.41785	0.2
611.35938	0.3
767.45477	0.2
791.42651	0.2
816.64307	0.2
919.46753	0.7
937.47925	100.0
938.48218	12.8
1000.47534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	12.0
71.31005	0.4
72.99306	1.4
73.02943	3.0
75.00466	0.3
75.00873	4.9
81.76114	0.2
83.01383	2.4
85.02946	7.5
86.00107	0.6
87.00873	4.4
87.04508	1.4
89.02446	4.1
89.02997	0.2
95.01382	2.0
97.02986	0.4
99.00266	0.4
99.00882	5.8
101.02444	6.5
103.03994	1.6
107.77106	0.2
111.00795	0.3
113.02446	5.2
115.00323	0.2
115.04010	2.0
119.03538	1.1
124.00397	0.2
125.02422	0.3
131.03513	2.3
134.26678	0.2
139.00346	0.3
143.03491	3.3
145.05038	0.5
157.01372	0.8
161.04558	1.3
163.06137	1.2
174.78122	0.2
205.07146	2.5
240.52264	0.2
284.03333	0.4
299.06000	0.2
307.93152	0.2
360.25208	0.2
373.11713	0.2
400.43585	0.2
453.33792	2.0
455.35446	0.2
523.38013	2.0
567.36993	0.2
613.37250	0.5
646.74359	0.2
913.12781	0.2
921.48724	0.8
939.49536	100.0
940.49731	14.7
1002.48370	0.8
1003.48682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56032	2.8
70.64377	0.4
71.01367	2.2
71.27128	0.5
77.70320	0.5
83.01389	0.8
83.05016	0.7
85.02943	1.4
85.24538	0.6
87.00871	3.5
87.04507	2.5
89.02446	1.0
95.01385	0.9
96.96006	0.9
96.99303	1.0
99.00861	0.9
101.02422	1.1
106.95962	0.5
109.02939	0.7
110.00095	11.9
111.00890	4.0
113.02432	1.4
123.00853	1.0
125.02444	1.0
125.99619	1.2
130.99887	0.8
133.02943	0.5
136.98787	4.8
137.02437	2.5
137.99538	1.7
139.00363	8.0
140.01166	3.6
141.01920	1.0
143.05009	0.6
146.03722	1.1
147.04413	0.7
149.02449	0.4
149.06155	0.5
153.01927	0.5
155.03496	6.1
159.04454	1.7
160.05270	0.5
161.02444	0.6
161.99564	0.7
163.00343	1.4
163.11362	0.6
164.98306	3.1
165.99062	29.4
166.99844	3.8
168.00572	1.1
171.04468	1.5
171.48958	0.6
172.05280	4.3
173.06094	0.7
174.03162	0.8
175.04147	0.5
180.99985	0.7
181.01439	9.7
181.03020	0.3
183.04543	0.8
185.06049	2.7
186.06813	1.9
187.03987	0.6
196.05266	0.9
197.06007	0.9
198.03195	1.7
199.03976	3.1
199.07639	0.7
200.04773	13.1
201.05569	2.1
201.09052	0.6
203.03574	0.6
209.11789	4.3
211.04057	0.7
212.04709	1.1
213.05559	7.1
214.02571	0.5
214.06227	0.9
215.03459	1.9
215.07074	0.6
224.04875	0.7
225.05579	0.8
226.02693	0.5
227.03423	3.1
227.07153	0.5
227.10651	0.5
234.68539	0.5
237.05600	0.7
239.03256	1.0
240.04185	1.1
243.02917	2.1
247.29904	0.4
251.28331	0.5
253.04901	0.6
255.02957	3.1
255.13864	2.1
262.22992	0.4
271.02524	4.0
281.11682	0.8
281.15247	0.6
283.13385	0.7
284.03299	3.2
287.12915	0.7
291.06546	0.5
293.04428	0.9
295.02573	0.6
295.06015	0.7
295.13214	0.5
296.03448	2.6
297.15005	2.1
299.02011	12.7
299.05505	2.1
299.12933	0.6
300.02533	0.9
307.13242	1.7
313.03436	1.3
314.04279	18.7
315.15900	1.0
321.03870	0.6
324.02710	7.3
325.03531	0.9
325.14410	19.2
326.14798	1.0
339.05048	4.9
341.13647	0.6
343.05963	0.7
343.15454	5.1
351.12201	1.3
358.04556	1.2
367.04651	3.9
381.06198	0.5
382.06824	0.9
386.04474	0.6
387.05127	1.0
449.12738	0.5
507.16568	3.7
579.24158	1.0
663.78845	0.5
694.12769	0.6
709.15503	14.4
710.15808	2.2
743.25476	0.9
761.26483	4.5
789.37549	2.3
815.34833	1.3
953.37842	1.4
971.39087	100.0
972.39221	13.4
985.37860	1.1
1003.23877	1.7
1003.41852	8.4
1004.41949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67872	0.8
71.01378	11.5
72.99306	1.2
73.02944	2.9
73.16879	0.1
74.01600	0.1
75.00865	3.9
82.65879	0.1
83.01385	1.7
84.02155	0.2
85.02946	7.1
86.00092	0.6
87.00875	3.8
87.04513	0.9
89.02441	3.6
93.03443	0.5
95.01382	1.9
96.95963	0.2
97.02929	0.5
98.20572	0.2
99.00879	4.5
101.02435	5.7
103.04015	1.5
109.02924	0.2
109.45005	0.1
111.00853	0.3
112.01673	0.2
113.02444	5.5
115.00366	0.2
115.03994	1.2
119.03495	1.2
121.02921	0.1
123.04538	0.2
125.02448	0.3
127.01508	0.1
127.04031	0.2
131.03513	2.2
134.26515	0.1
137.02425	0.3
139.00343	0.4
143.03491	3.3
145.05049	0.5
147.04462	0.4
148.05092	0.1
150.03177	0.3
151.03915	0.1
157.01367	0.4
160.34415	0.2
161.04568	0.8
163.06107	1.4
165.05580	0.2
166.02637	0.3
173.04527	0.8
175.04057	0.1
181.05048	0.4
191.05560	0.2
195.06619	0.2
205.07141	2.3
207.48482	0.1
209.02991	0.2
248.40181	0.1
284.03152	0.8
285.03824	0.2
299.05515	0.7
321.07578	0.2
333.09848	0.3
455.35306	1.5
457.36783	0.5
525.39343	1.7
526.40057	0.3
569.38391	0.3
597.94232	0.2
615.39050	0.5
796.36633	0.2
818.59784	0.2
923.50159	0.6
941.51068	100.0
942.51337	14.8
1004.52930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	13.1
71.54144	0.5
72.99294	1.3
73.02952	3.1
75.00864	4.7
83.01382	2.5
84.88651	0.4
85.02947	6.6
86.00088	0.7
87.00875	4.9
87.04507	0.9
89.02439	4.1
95.01398	1.7
96.95971	0.6
97.02953	0.6
99.00871	5.3
101.02434	7.4
102.40175	0.4
103.03999	1.1
111.00892	0.4
113.02448	5.3
115.00341	0.5
115.03996	1.3
119.03473	1.1
125.02461	0.6
130.99847	0.6
131.03513	2.8
137.02383	0.5
143.03482	3.1
157.01459	0.6
161.04576	1.0
163.06104	1.5
183.13721	0.4
205.07156	2.4
210.08951	0.4
227.03372	0.5
227.12907	0.4
284.03336	2.0
299.02216	0.5
299.05612	1.5
299.09039	0.5
356.34512	0.4
455.35272	1.9
457.36880	0.5
525.39337	2.1
615.39166	0.7
710.15289	0.8
762.10205	0.4
923.49457	0.6
941.51099	100.0
942.51361	14.9
1004.48999	1.3
1005.41907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	6.3
69.07072	16.5
71.05000	1.1
73.02943	1.1
73.74229	0.7
79.05496	26.9
81.03416	3.9
81.07058	29.5
83.04987	3.3
83.08617	6.8
85.02914	3.4
85.06544	0.8
91.03954	1.1
91.05482	17.3
91.06026	1.2
93.07042	27.4
95.04973	4.9
95.08611	22.7
97.02891	6.1
97.06557	2.3
97.10180	8.1
98.21523	2.0
100.07634	1.6
105.07033	12.2
107.04951	4.2
107.08598	16.7
109.06533	1.6
109.10152	10.0
111.08095	1.7
117.07001	5.9
119.04961	0.8
119.08582	10.1
121.06532	1.5
121.10148	8.6
123.08088	2.5
123.11724	2.5
125.09624	5.0
129.07004	3.2
131.08571	7.5
133.06509	1.9
133.10141	6.9
134.07277	0.7
135.08047	2.4
135.11723	6.5
137.09618	1.5
142.07748	0.8
143.08594	2.9
145.10115	6.1
146.08136	1.9
147.08105	3.9
147.11678	3.4
149.09631	1.9
149.13309	2.6
157.10143	1.7
159.08022	1.1
159.10556	0.7
159.11711	3.6
161.09682	1.2
161.13312	1.4
163.11169	1.1
163.14844	1.4
165.09116	1.4
169.10097	0.8
171.10205	0.7
171.11638	1.3
173.13280	1.8
175.11230	1.8
175.14857	1.0
177.12721	1.5
189.11244	2.4
193.12270	1.0
205.12291	1.2
211.13397	1.2
223.13313	13.7
227.12862	2.6
229.51172	0.7
238.09134	0.7
243.21187	2.2
245.19109	0.7
249.14944	2.7
255.17670	0.8
259.20477	0.8
261.22137	6.4
267.15884	1.0
273.18494	8.1
275.20157	0.8
291.19540	62.4
317.24951	2.1
335.25800	60.9
336.26477	1.0
347.22281	1.9
365.23233	37.6
366.23611	0.8
438.55774	0.7
527.37225	1.2
545.38446	5.2
607.43250	3.4
625.44647	100.0
626.44708	1.6
769.48615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	7.7
69.06733	1.5
69.07075	21.5
69.85561	4.4
71.01346	1.0
71.05000	4.8
71.08601	1.1
73.02905	2.8
79.05498	62.7
81.03416	10.7
81.07063	83.6
83.04993	8.6
83.08624	14.1
83.54716	0.9
85.02905	10.6
85.06530	3.9
91.03970	4.9
91.05487	52.0
93.07050	67.3
95.04965	10.1
95.08614	54.8
97.02903	8.1
97.06529	10.9
97.10181	7.0
98.21412	1.6
99.04458	1.9
99.08080	3.0
101.03923	1.1
103.05486	1.1
105.04509	2.8
105.07037	34.7
107.04973	7.2
107.07880	2.1
107.08601	41.8
109.06516	7.4
109.10163	25.4
111.08089	5.4
111.11702	1.0
113.06013	1.0
113.09631	1.3
115.05439	2.7
117.07020	19.0
119.08593	31.4
121.06482	4.3
121.10155	30.8
123.04442	1.2
123.08049	4.1
123.11707	6.8
125.09642	5.6
127.03933	4.9
128.06268	1.4
129.05467	1.4
129.07031	7.4
131.08575	23.5
133.10135	22.4
135.08044	4.0
135.11710	15.6
137.09618	2.9
137.13185	1.2
139.11194	1.6
141.06987	2.3
142.07722	1.5
143.08580	6.5
145.04980	2.8
145.10133	18.7
147.08028	1.5
147.11696	13.1
149.09630	7.7
149.13271	12.2
151.11179	3.0
155.08580	2.7
157.10152	4.9
159.11699	15.8
161.09560	1.5
161.13280	6.5
163.06058	2.4
163.11176	4.3
163.14833	2.7
165.12747	2.7
169.10173	3.5
171.11668	5.0
173.04430	2.8
173.11842	1.3
173.13277	8.0
175.11221	1.5
175.14828	2.8
177.12753	2.4
179.14339	1.4
183.11679	3.4
185.13220	4.0
187.11230	1.2
187.14873	2.7
189.11263	1.9
189.12854	1.3
189.16319	1.1
195.11897	1.1
195.13791	3.2
197.13239	2.6
199.14865	2.2
201.16484	1.2
203.14348	1.0
209.13342	1.4
211.14854	1.6
213.16606	1.1
217.15784	2.1
218.54285	1.0
219.17400	2.5
227.12773	4.7
229.14427	7.5
239.18088	2.4
243.21037	3.3
247.20680	1.4
255.15884	4.6
257.19025	6.6
259.20648	3.3
261.22134	11.0
267.15921	2.1
269.17487	21.4
275.20096	24.4
275.32443	0.9
279.23358	1.0
283.19016	2.0
291.19376	1.2
293.21143	1.5
309.20572	7.8
317.24704	2.6
331.22528	2.7
333.24237	2.8
335.25827	100.0
336.26038	2.3
337.27121	1.3
349.19812	1.9
349.23779	25.7
351.24918	1.1
367.24869	3.1
413.21628	1.4
431.31305	1.0
473.35556	1.2
489.35709	6.6
511.37735	2.3
513.39459	1.2
515.37390	14.2
529.38910	70.8
543.40320	2.1
547.40240	1.6
555.39996	1.4
569.42078	23.8
599.47040	1.3
609.45154	50.0
610.46130	1.8
627.46259	14.6
717.45764	1.3
753.48859	1.9
771.49622	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99770	0.5
69.03429	0.2
69.07053	0.2
69.85164	0.9
79.05482	0.2
81.03424	0.4
81.07036	0.3
83.04964	0.2
85.02914	0.5
91.05492	0.6
93.07033	0.3
95.04979	0.2
97.02885	0.3
98.69459	0.2
99.00822	0.2
105.07044	0.3
108.11277	0.2
112.01576	0.4
117.03404	0.2
117.45085	0.2
119.04980	0.4
121.10101	0.2
121.17012	0.2
123.04437	0.2
127.00278	0.4
127.03952	0.4
133.02861	0.5
135.11671	0.2
137.06010	0.5
138.03223	0.2
140.01096	0.2
141.01813	0.3
145.02846	0.3
147.04425	0.6
149.06010	0.3
153.01863	0.3
162.03143	0.2
165.05557	0.2
166.02711	0.2
167.07083	0.7
168.00557	4.6
169.01311	0.9
173.06075	0.2
175.03891	0.3
176.06200	0.3
177.05574	0.3
179.03392	0.2
181.04965	1.7
183.02905	11.7
184.03545	0.2
186.01607	3.3
186.03123	0.3
187.11180	0.2
189.07016	0.4
194.05751	0.2
201.05511	0.3
205.04987	0.2
205.06537	1.2
207.06561	0.2
217.06606	0.2
220.05321	0.2
221.06039	0.9
222.06943	0.3
223.07516	0.3
224.04784	0.2
233.05971	1.2
234.06845	0.3
235.07516	1.3
236.04683	0.5
237.05605	0.6
238.06313	0.5
241.04872	0.3
246.06784	0.2
247.07649	0.4
248.04591	0.4
249.05481	1.2
250.06335	1.8
251.07054	1.8
252.04094	0.2
253.05038	0.2
255.06395	0.2
258.05313	0.3
261.05582	0.8
262.06235	0.5
263.07034	1.4
264.04218	0.8
264.07593	0.3
264.14954	0.2
265.05038	1.6
265.08539	0.4
266.05698	1.3
267.06635	0.4
268.03748	0.7
269.04434	0.6
273.05579	0.3
275.07141	0.4
276.04309	0.4
277.05002	0.7
278.05762	7.2
279.03421	0.2
279.06522	4.0
280.03839	0.4
280.07239	0.4
281.04544	1.4
281.07816	0.2
282.05249	1.0
283.06085	0.4
285.03989	1.5
286.04724	11.0
287.05487	0.5
290.05954	0.3
291.06555	1.2
292.04169	0.2
292.07376	0.7
293.04495	1.2
293.08148	1.2
294.05212	1.6
295.06131	1.3
296.03333	0.3
296.06802	0.8
297.04041	0.5
297.07526	0.3
301.07089	11.8
302.07489	0.2
304.03738	0.8
304.07101	0.2
305.04504	0.6
306.05255	3.0
307.05975	2.7
308.03339	0.3
308.06839	0.6
309.03979	1.4
309.07614	0.9
310.04849	0.7
310.08322	0.3
311.05548	1.7
311.09219	3.4
313.03540	0.4
315.06570	0.2
319.06137	0.6
320.06662	0.4
321.04172	0.4
321.07626	0.7
322.04800	0.7
323.05502	0.6
323.09244	0.6
324.06311	4.8
325.03748	0.2
325.07111	5.4
325.10843	0.2
326.04538	0.2
326.07864	4.2
328.06177	0.2
333.04044	0.2
333.07758	0.4
335.05682	0.3
336.06271	0.3
337.07047	2.7
338.07813	1.1
339.08667	9.3
340.08987	0.3
343.05951	0.3
344.06888	0.3
345.07562	0.3
346.04617	0.3
347.05475	0.9
350.04233	1.0
351.05026	1.0
354.03812	0.2
359.05350	0.2
361.07230	0.7
364.05890	0.5
365.06564	6.3
366.07489	0.3
369.06277	0.4
371.05350	0.9
372.06357	0.4
373.07135	0.4
374.04367	0.6
375.04874	0.9
376.05624	0.2
379.08224	0.6
386.08047	0.4
387.04742	0.5
389.06500	1.0
392.05405	0.6
395.16959	0.4
398.04272	0.2
399.04935	1.5
400.05682	0.8
401.06729	0.7
402.03763	0.7
403.04050	0.9
403.09167	0.2
404.05133	0.4
407.07950	0.4
413.07068	0.3
414.07590	0.9
415.08231	0.4
416.05347	0.6
417.06055	2.1
418.06897	0.5
419.07339	0.4
420.04883	0.6
424.05600	0.4
427.04510	0.7
428.05328	0.7
429.06052	0.3
430.02896	0.3
431.03427	1.2
432.03754	0.3
432.08499	0.7
433.09204	0.8
434.06516	0.3
435.07108	0.9
441.05869	0.2
442.07117	0.7
443.07996	0.4
444.04962	0.6
445.05396	2.7
446.06396	1.0
447.07196	0.6
448.04041	0.5
450.09396	0.7
456.04865	0.4
460.08496	1.9
461.08798	2.2
462.05038	0.3
462.10318	0.3
463.06522	2.1
465.11755	3.3
470.06174	0.5
473.05026	1.4
473.15796	0.3
474.05753	0.8
475.06775	0.8
476.03775	0.2
477.08066	0.7
477.12921	0.4
478.08936	4.8
488.07336	1.6
489.08365	1.2
491.06058	1.3
493.11334	8.9
494.11725	0.3
503.09711	2.1
505.07645	0.4
506.08490	2.7
521.10840	100.0
522.11194	2.3
617.19531	0.3
683.16016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.2
69.07079	6.5
69.60102	2.6
71.04996	1.3
71.08662	0.6
77.03928	0.7
79.05499	26.2
81.02934	0.7
81.03059	0.4
81.03421	19.3
81.07062	31.8
83.04993	3.5
83.08629	7.2
85.06566	2.1
86.89281	0.5
91.05486	18.9
91.21978	0.4
93.07049	27.3
95.04978	8.1
95.08612	23.2
97.02901	1.1
97.06532	2.3
97.10197	2.1
98.21506	0.6
99.08150	0.6
100.07599	0.6
103.05499	1.0
105.04530	0.7
105.07034	16.1
107.04958	2.1
107.08601	14.2
109.06528	2.1
109.10161	11.0
109.10921	0.6
111.08102	3.5
115.05469	1.0
115.20338	0.4
117.07053	3.6
119.08590	10.9
121.06516	1.3
121.10152	16.8
123.04443	6.1
123.08076	1.0
123.11715	3.3
125.09681	0.6
128.06244	0.7
129.07008	4.1
131.04916	1.8
131.08575	9.2
132.09315	0.5
133.06514	1.6
133.10136	7.7
135.04439	0.7
135.08058	0.9
135.11703	6.1
137.06006	0.7
137.09608	1.1
137.13293	1.0
142.07794	0.9
143.08578	0.7
145.06532	1.3
145.10118	3.6
147.04419	5.7
147.08125	1.0
147.11693	7.3
149.06004	1.2
149.09637	6.4
149.13260	3.3
151.11206	0.8
151.14938	0.5
155.08572	0.6
157.06534	0.8
157.10135	4.0
159.04425	0.7
159.11700	2.6
161.05974	2.8
161.13260	2.3
163.03893	4.0
163.07481	0.6
163.11293	0.5
163.14854	1.5
165.05496	4.1
165.12755	2.0
169.10210	0.5
171.08121	0.4
171.11707	0.6
173.06038	2.6
173.13333	2.3
175.03928	5.6
175.07574	1.0
175.11206	4.4
175.14796	0.9
176.04779	0.7
176.11987	0.7
177.05449	5.0
177.12766	0.7
177.16374	0.9
181.06526	0.5
185.06041	1.3
185.13298	0.7
187.03920	1.6
187.07588	1.8
187.14790	1.1
189.05475	5.3
191.03438	5.8
191.07095	1.3
192.04233	0.5
193.04976	11.7
193.12254	9.9
193.13893	0.8
197.05956	0.7
199.07594	1.4
199.14807	0.5
201.05528	2.5
201.09100	0.5
201.16400	0.6
203.03406	16.9
203.07008	2.4
205.04965	1.8
211.13318	8.7
213.05504	1.7
213.09233	0.5
215.07039	2.9
217.04970	15.8
217.08427	0.9
219.02840	0.7
219.06580	0.7
221.04462	0.7
227.07002	1.8
229.04967	9.7
229.08653	1.1
231.02992	1.3
231.06445	2.1
233.04422	0.8
241.04979	0.6
243.06526	8.4
243.13826	1.3
243.21097	3.1
245.04521	2.5
245.08127	1.2
255.06613	1.9
257.04520	1.6
257.08105	1.9
259.06018	0.9
261.22159	13.3
267.16040	2.1
269.08273	0.5
269.15411	0.6
271.06024	1.7
279.23288	1.5
287.16428	1.5
289.14444	0.9
295.13370	0.5
297.14822	1.0
299.12753	0.5
313.14343	4.5
315.15848	3.2
317.24792	2.0
323.12985	3.4
323.16434	0.8
325.14322	1.6
329.17435	2.0
333.17154	3.7
333.24216	0.9
335.25815	100.0
336.26169	1.0
339.15994	1.4
341.13849	20.4
341.17422	1.3
343.15411	1.2
349.14587	0.5
351.12204	1.4
353.26941	3.0
357.16931	9.5
359.14801	2.0
359.18353	0.9
367.15344	3.7
369.13254	1.5
369.17081	1.9
377.14063	0.5
385.16467	31.0
386.16669	0.7
395.15146	3.0
403.17548	37.5
404.17618	0.7
413.15936	18.5
421.18686	0.7
431.17062	9.9
432.17462	0.5
433.22354	4.6
435.32538	0.8
441.19211	1.0
449.17932	1.7
459.20197	7.3
469.18283	1.9
477.15448	0.3
477.21237	8.2
487.19720	10.0
505.20715	28.1
523.21796	40.9
524.22021	0.9
527.37476	3.5
528.38434	2.4
627.37305	0.8
627.46851	0.4
655.36365	1.0
693.44232	2.6
719.40466	1.2
729.39502	0.9
737.42474	3.6
747.40729	2.6
765.42114	12.7
783.43127	44.2
784.43341	1.5
801.43378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	3.8
69.07080	21.6
69.70457	10.2
71.04996	5.3
71.08632	1.7
72.52363	2.0
73.02920	6.5
79.05502	75.0
81.03416	5.1
81.07066	79.7
83.04956	2.7
83.08607	7.3
85.02904	18.0
91.03963	10.8
91.05489	64.7
93.07051	79.3
95.04989	9.6
95.08620	65.3
97.02908	8.6
97.06562	4.7
97.10166	2.7
99.08105	2.4
100.44251	2.0
103.05524	2.5
105.04565	1.9
105.07044	68.8
107.08607	40.6
109.06468	3.3
109.10166	26.4
115.05463	3.4
117.07035	18.8
119.08588	56.8
121.09340	2.6
121.10165	36.8
123.08064	3.6
123.11702	9.8
125.09617	2.4
127.03943	4.4
128.06204	3.0
129.07010	13.8
131.08583	29.4
133.10143	49.9
135.08015	3.2
135.11685	26.3
142.07901	2.4
143.08528	9.6
145.04973	5.9
145.10123	34.7
147.10661	3.5
147.11713	37.6
149.13286	12.5
155.08574	4.2
157.10158	11.8
159.11699	23.3
161.13286	25.7
162.95837	2.0
163.06047	11.1
163.14825	6.4
169.10165	4.5
171.11710	17.4
173.13316	16.3
175.14874	9.6
177.12712	2.5
177.16452	3.0
183.11710	5.5
185.13315	11.6
187.14754	5.1
189.16373	3.0
195.11786	2.6
199.14809	8.0
201.16348	3.5
213.16443	3.7
227.18048	2.8
231.21013	5.5
241.19557	25.0
243.21143	4.9
257.18985	8.2
259.20602	60.1
261.22177	12.2
268.77957	2.1
315.23065	4.1
317.24698	2.0
331.22751	3.7
333.24274	51.0
335.25836	88.4
337.27313	7.8
351.24951	2.3
367.22513	2.7
426.62256	2.0
477.27762	2.2
489.36371	2.7
519.41803	7.8
537.42603	3.0
593.45691	17.4
599.79626	2.3
611.46783	100.0
612.47040	3.7
635.47363	2.6
696.63501	2.4
701.47076	4.8
719.48145	3.2
737.49573	4.6
755.50519	6.0
898.81946	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	14.9
68.99800	2.7
69.03434	12.7
69.07071	67.3
71.04994	9.7
71.08617	2.5
71.24907	1.1
71.52539	1.8
73.02906	3.9
73.06554	4.8
79.05498	20.3
81.03425	19.7
81.07059	24.3
83.04983	9.1
83.08624	16.6
85.02911	21.9
85.06546	3.4
87.00829	8.6
87.04472	16.7
87.08125	1.7
89.06036	97.4
91.03960	1.2
91.05483	6.3
91.07561	1.3
93.07048	34.8
93.07638	1.9
95.04987	3.8
95.08611	29.0
95.75500	1.4
96.36837	1.1
97.02894	8.7
97.06538	34.1
97.10143	1.4
99.04459	7.0
99.08103	1.4
101.06001	3.2
101.09647	1.4
103.03954	1.5
105.01864	4.4
105.07034	3.2
105.30339	1.1
107.08600	35.6
109.02885	17.7
109.10170	15.5
111.08105	8.9
111.11725	8.2
113.09677	1.0
115.07576	2.8
117.09129	5.2
119.08583	1.3
121.10128	2.5
125.13281	1.4
127.03914	14.1
129.01804	1.5
129.09134	1.8
130.08638	1.5
131.07053	6.9
133.08614	85.8
135.11700	82.6
139.11191	5.6
145.05019	2.5
147.04387	2.0
149.13266	3.2
150.63518	1.1
153.12755	100.0
157.12263	5.2
159.02905	5.1
167.07120	1.3
171.02800	1.2
171.13812	99.3
175.09706	6.6
177.09662	2.2
177.11227	39.4
197.15378	47.2
211.16942	8.4
212.16383	1.6
213.03745	1.2
213.14784	1.8
215.16443	9.8
219.12352	4.0
221.13837	10.8
227.16467	1.7
229.17992	45.0
239.14966	1.5
247.18867	2.3
255.19627	5.0
259.19025	3.1
265.16519	4.6
273.20612	1.9
277.65234	1.2
283.17462	4.6
286.04828	2.0
287.22104	9.4
301.07071	3.8
309.19092	5.3
327.20178	3.9
347.24084	1.3
353.21991	1.7
371.22775	5.1
391.27399	1.5
397.24426	5.0
411.25952	1.4
415.25424	39.3
455.28409	9.6
473.29730	7.0
513.32697	3.7
567.37231	4.6
625.41858	2.1
683.45294	3.0
701.46619	5.4
759.39288	1.3
893.71661	1.1
893.93542	1.2
966.55133	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	956.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	89.3
69.03421	4.1
69.07072	32.0
71.04980	2.8
71.08625	3.2
71.43909	2.5
73.02916	5.6
79.05499	49.4
81.03400	1.7
81.07061	100.0
83.04964	3.0
83.08617	18.0
85.02444	2.2
85.02912	23.9
85.06531	2.2
91.03968	14.7
91.05483	26.3
93.07052	56.9
95.04971	3.0
95.08616	78.9
97.02885	13.7
97.06526	5.0
97.10172	8.0
99.04471	2.0
99.08093	2.6
105.04514	2.4
105.07037	28.0
107.08602	34.1
109.06618	2.7
109.09478	2.2
109.10168	32.5
111.08058	3.3
111.11733	1.9
115.03825	1.5
117.07014	7.9
117.07750	1.4
119.08582	17.8
121.10155	28.6
123.11732	14.1
127.03911	6.0
129.07051	1.4
131.08580	14.1
133.10146	17.5
135.11702	20.9
137.13219	4.4
143.08528	2.4
143.21559	1.3
145.04991	10.9
145.10161	12.6
147.11732	10.6
149.09644	1.5
149.13278	10.9
150.13649	1.3
157.10132	1.6
159.11717	8.1
161.13246	9.9
163.06052	12.8
163.14841	9.9
171.11748	1.6
173.13261	9.3
175.14850	6.4
177.16377	4.2
185.13266	2.9
187.14842	4.1
189.16347	1.9
201.16479	1.9
203.17928	1.7
233.22591	2.2
241.19510	2.5
243.21193	8.3
245.22552	2.6
259.20633	8.6
261.22189	28.2
263.23685	5.4
317.24658	4.0
325.27289	1.4
333.24326	7.0
335.25818	92.2
337.27386	96.7
339.28976	9.0
361.84836	1.7
503.36786	1.5
505.43857	1.6
516.15613	1.4
523.45239	6.8
541.46411	2.5
545.41650	2.6
573.02515	1.4
597.48840	46.6
615.49860	77.3
616.49707	2.8
627.59070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	8.9
69.03431	2.1
69.07075	7.9
70.06574	0.6
71.01369	1.1
71.05000	38.3
71.08633	0.5
73.02932	3.9
75.04482	3.7
79.05512	4.3
81.03426	1.5
81.07064	28.1
83.04989	13.5
83.08621	4.2
85.02913	71.9
85.06530	0.6
86.06088	0.6
87.04481	1.8
91.03966	6.0
91.05478	5.5
93.07050	12.0
95.01349	4.0
95.04977	2.1
95.08615	54.2
97.02901	7.3
97.06551	1.8
97.10183	2.7
99.04480	1.7
101.06021	1.1
103.03963	1.8
105.06523	0.3
105.07037	13.9
107.08601	24.9
109.02892	1.3
109.06551	1.1
109.10167	21.6
111.03709	1.0
111.04456	13.3
111.08081	1.1
111.11751	0.5
113.02378	1.6
113.06041	0.5
115.03904	1.1
117.07037	1.8
119.08591	18.1
121.06511	0.6
121.10155	21.3
123.08089	1.2
123.11716	11.2
125.02359	0.5
125.09618	1.0
127.03916	6.5
129.05493	27.9
129.07007	0.7
131.08577	8.0
133.10139	12.0
133.11092	0.8
135.08035	0.5
135.11708	13.3
137.06004	0.6
137.09657	1.0
137.13260	18.3
138.43065	0.5
141.01836	16.6
141.02901	1.0
142.07901	0.5
143.08603	3.0
145.04979	5.7
145.10126	10.1
146.08110	0.5
147.06537	18.8
147.11696	15.1
147.24667	0.4
149.13269	9.7
151.14850	1.8
152.54268	0.4
154.54219	0.4
155.08571	1.2
156.09311	0.5
157.05003	0.6
157.10138	5.1
158.10884	0.6
159.02907	5.7
159.11710	11.5
160.12476	0.6
161.09669	1.0
161.13277	12.2
163.06035	10.2
163.11188	0.7
163.14812	5.9
164.09161	2.2
165.07632	1.3
165.12767	0.5
169.10146	1.4
171.06583	0.5
171.11693	4.1
172.12402	0.6
173.13289	12.9
175.11221	1.7
175.14842	8.3
177.04053	0.6
177.05510	0.8
177.12811	6.7
177.16402	21.7
179.14322	2.2
179.17960	0.8
181.04924	0.5
183.02905	0.7
183.11716	1.6
184.12502	0.8
185.13269	4.6
187.11200	0.6
187.14838	7.4
189.12799	2.0
189.16394	10.4
191.14322	3.9
191.17966	19.6
193.12259	0.8
193.15944	0.6
197.13344	1.4
199.06091	0.5
199.14825	3.7
200.15677	0.6
201.12793	1.3
201.16412	8.5
203.14359	11.4
203.17975	22.2
205.15846	1.0
205.19547	2.6
207.17479	1.6
211.14877	1.8
213.16356	3.6
215.14449	3.4
215.17967	6.5
217.16023	2.3
217.19495	4.6
219.13762	0.9
219.17505	1.2
219.21013	1.0
221.15417	1.2
221.19061	0.6
223.14841	0.6
225.16405	2.0
227.17902	2.5
229.15939	2.4
229.19455	2.8
231.04938	0.5
231.17465	15.3
231.20918	2.3
233.15514	1.0
235.17091	0.8
237.16435	1.0
239.17964	0.8
241.19495	2.1
243.17453	5.8
243.21117	3.1
245.19009	0.6
245.22701	1.3
247.17047	1.4
253.19545	1.3
255.08733	3.1
255.17519	1.0
255.21075	1.5
257.19119	1.4
257.22650	1.4
261.18524	11.6
267.21140	0.7
269.06714	1.4
269.19040	1.2
269.22726	1.5
271.20554	4.0
271.24438	0.8
273.09784	2.7
273.18494	2.3
275.20172	1.6
283.20645	1.7
283.24152	0.5
285.22168	1.5
287.07825	2.3
287.20062	2.4
289.21655	10.4
291.10693	1.1
297.22363	0.8
301.21671	3.0
305.08694	5.6
309.11813	5.6
315.23203	3.0
321.08139	1.5
323.09741	1.7
336.44391	0.5
339.09241	2.7
339.30597	0.7
349.43756	0.5
355.26300	0.6
369.27982	0.8
377.32275	1.1
379.29941	1.6
393.35275	4.5
403.33594	3.3
421.34680	97.0
422.34976	2.2
437.34360	0.6
439.35748	100.0
440.36124	2.0
549.38995	0.8
567.40247	0.8
615.38916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	54.0
69.03442	2.8
69.07072	14.2
70.63645	1.0
70.64001	0.6
71.04985	1.9
73.02919	3.7
77.03902	0.6
79.05497	36.4
81.03409	1.6
81.07061	57.6
82.02643	0.5
82.07361	0.6
83.04984	1.9
83.08622	8.1
85.02908	16.1
85.06525	2.0
87.70521	0.5
91.03426	0.6
91.03969	12.1
91.05486	23.6
92.05826	0.5
93.07049	44.5
95.05010	3.3
95.08613	44.9
96.04503	0.7
97.02896	8.5
97.06543	3.3
97.10176	2.6
98.82137	0.6
99.04466	1.1
99.08109	1.0
103.05487	0.5
105.04525	1.1
105.07039	19.8
107.08599	24.2
109.02843	1.1
109.06507	2.0
109.10156	21.0
111.08085	1.7
113.09627	0.8
114.36044	0.5
115.03929	0.8
115.05475	0.7
117.07024	8.2
119.08591	17.1
121.10152	20.7
123.08071	1.1
123.11717	9.4
125.09631	1.3
127.03924	4.4
129.06969	2.1
131.08580	14.0
133.10139	15.0
135.08105	0.6
135.10690	1.0
135.11700	15.5
137.09644	1.0
137.13240	2.2
139.11151	1.1
143.08551	2.7
145.04974	5.6
145.10127	11.4
147.11702	12.8
149.09651	0.8
149.13260	8.4
151.11159	0.6
151.14792	0.6
155.08525	1.0
157.10135	3.1
159.11700	9.5
161.13286	8.2
163.06038	8.0
163.11212	0.5
163.14828	5.1
165.12752	0.6
169.10178	0.9
171.11693	3.1
173.13266	8.8
175.14873	3.3
177.12714	0.7
177.16464	1.6
177.90129	0.5
179.14394	0.7
183.11674	1.0
185.13228	2.5
187.14854	4.3
189.16403	1.2
191.14275	0.9
195.11775	0.6
197.13338	0.9
199.14848	2.3
201.16389	1.7
203.17955	1.0
205.15781	0.6
213.16577	0.9
215.17999	1.1
217.15868	0.5
219.17416	0.8
225.16463	0.6
229.19388	0.6
231.21109	1.0
241.19615	4.7
243.21109	6.2
245.22659	0.7
255.19458	0.5
257.18994	1.1
259.20590	9.6
261.22141	17.9
263.23749	1.7
273.18607	0.6
273.22089	0.5
275.20264	0.7
277.21561	0.9
279.23221	1.0
285.22070	0.6
288.53934	0.4
293.21097	0.5
299.23660	1.1
301.25052	0.6
311.23505	0.6
315.23224	1.2
317.24805	3.6
319.22742	0.7
327.26932	0.6
333.24231	8.8
335.25821	100.0
336.25952	1.0
337.27386	14.2
341.28174	0.5
353.26743	0.8
437.44431	0.5
451.36008	0.6
475.34244	0.7
477.35480	0.6
489.35818	1.1
491.37289	0.6
503.43054	0.6
517.39203	1.0
521.43414	3.5
529.39240	0.6
531.40210	0.6
539.44226	1.6
543.40399	1.1
595.47211	18.5
613.48273	29.3
614.48480	0.5
756.12817	0.6
883.63708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	6.7
69.03438	2.0
69.07076	3.5
71.01361	1.3
71.04999	36.6
73.02927	4.6
75.04491	4.0
77.03893	0.6
79.05502	3.4
81.03417	2.4
81.07067	16.5
83.04989	30.8
83.08639	2.6
83.84859	0.7
85.02912	78.7
87.04476	1.5
91.03972	8.5
91.05514	2.8
93.07053	8.2
95.01341	4.5
95.04974	1.2
95.08614	29.4
97.02898	9.6
97.06519	0.7
97.10179	1.9
99.04476	1.7
101.06014	0.7
103.03976	2.8
105.07045	6.3
107.08603	15.1
109.02901	1.2
109.06526	0.8
109.10165	12.4
111.04451	24.5
111.11781	0.8
113.02392	1.1
115.03951	1.3
117.07062	0.8
119.04668	0.5
119.08589	11.4
121.10151	14.3
123.04486	0.7
123.11716	6.5
127.03932	6.3
129.05495	53.8
131.08575	3.5
133.10146	6.0
135.11696	9.6
137.13266	13.7
141.01839	21.6
143.08516	1.1
144.09477	0.6
145.04979	7.7
145.10138	7.9
146.08128	0.9
147.06537	23.0
147.11708	7.1
149.13287	4.7
151.14885	1.4
156.71249	0.6
157.10167	2.4
159.02890	8.9
159.11708	7.6
161.13286	6.3
161.47668	0.6
163.06038	20.9
163.14870	2.6
164.09195	1.2
165.07607	1.7
165.16396	0.8
169.10104	0.7
171.06557	1.2
171.11731	1.7
173.13322	5.1
175.14873	2.5
177.03958	1.7
177.05394	0.5
177.16396	5.5
183.03084	0.6
183.11766	0.8
185.13304	2.9
187.06030	0.6
187.14862	5.7
189.12726	0.6
189.16385	4.8
191.17972	19.4
193.12291	1.4
197.13231	1.3
199.14848	2.2
201.16425	8.8
203.17973	5.7
205.12267	0.8
205.19618	0.8
207.13873	3.2
211.14882	0.7
213.16423	4.0
215.17963	2.0
217.19553	1.5
219.13846	2.4
225.16499	1.2
227.18027	0.6
229.19495	1.4
231.08600	0.8
231.13878	1.6
231.21167	1.5
233.15375	2.8
235.17072	0.6
237.07692	0.9
239.18013	0.9
241.07137	0.7
241.19518	1.5
245.15329	1.9
247.16972	9.5
255.08704	5.1
255.21240	1.1
257.15311	0.8
259.16986	10.2
269.06650	3.8
269.19296	0.6
269.22809	0.9
271.16974	3.9
273.09677	5.1
273.18524	3.2
285.06000	0.8
285.18576	3.5
287.07645	6.3
287.20093	6.7
291.11032	1.0
299.20102	4.1
303.07031	0.7
305.08719	8.8
309.11838	8.5
313.21646	3.5
321.08289	2.1
323.09695	4.3
327.23215	1.3
332.15088	0.6
334.69696	0.6
339.09265	5.0
339.23224	0.8
341.25009	1.0
353.24716	1.4
381.27954	1.0
391.33670	1.6
409.34683	0.6
437.34207	100.0
438.34482	3.4
455.35156	6.0
509.17941	0.9
510.18274	1.0
615.98480	0.6
631.38605	3.5
708.45435	1.0
956.51239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.9
68.15965	0.1
69.03437	3.2
69.07072	0.6
69.33363	0.1
70.28197	0.3
71.01350	0.3
71.04983	0.3
71.08635	0.7
73.02921	3.3
79.05498	1.2
81.03429	1.2
81.07055	1.9
83.01348	0.2
83.04974	0.2
83.08620	0.5
85.02908	5.4
85.10197	0.4
87.04491	0.5
91.03410	0.2
91.03960	3.1
91.05476	0.9
93.07048	1.3
95.04990	0.1
95.08620	1.8
97.02895	5.2
97.10179	0.3
99.00800	0.1
99.04451	1.0
101.02385	1.6
101.03023	0.1
103.03979	0.3
105.07053	0.3
107.08598	0.6
109.02897	1.0
109.10155	0.8
110.60322	0.1
115.03954	0.4
117.05531	0.1
117.07020	0.2
119.08582	0.3
121.10157	0.5
123.11726	0.3
127.03922	1.6
129.05452	0.1
130.41232	0.1
131.08588	0.3
133.10147	0.3
135.11719	0.4
145.04953	0.5
145.10176	0.2
147.11690	0.1
149.13268	0.2
157.92918	0.1
159.11697	0.2
159.22258	0.1
161.13329	0.2
165.45270	0.1
173.13248	0.1
183.06702	0.1
185.04224	1.1
185.05574	0.1
203.05266	0.8
239.23862	0.1
243.08430	1.9
248.45058	0.1
259.69449	0.1
261.22189	0.1
275.07666	0.1
281.86301	0.1
286.99088	0.5
305.08484	0.2
313.27335	0.6
335.25958	0.4
347.09497	2.7
363.09097	0.4
365.10596	1.2
405.13687	5.9
406.14044	0.1
421.13055	0.2
497.30908	4.3
498.31488	0.1
519.29309	5.7
659.36133	3.9
659.47546	0.1
681.34503	6.5
682.35059	0.2
775.53223	1.4
879.48914	0.2
937.58588	100.0
938.58655	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	937.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.7
69.03436	2.7
69.07062	0.4
70.63113	0.4
70.63467	1.1
71.01394	0.5
72.49644	0.3
73.02939	2.5
79.05513	1.1
81.03428	1.3
81.07071	1.6
83.08628	0.6
85.02907	4.3
85.10206	1.0
91.03951	2.2
91.05479	0.5
91.93491	0.5
93.07076	1.2
95.08600	2.4
97.02899	4.9
99.04467	1.0
101.02385	1.2
103.03995	0.5
105.07072	0.5
107.08628	0.5
109.02927	0.7
109.10178	0.5
127.03949	1.0
145.05017	0.4
185.04234	0.8
189.29611	0.4
203.05397	0.5
243.08568	1.4
297.86786	0.4
313.27325	0.6
335.26080	0.6
338.35706	0.4
347.09680	1.5
363.09491	0.4
365.10806	1.0
405.13644	4.9
463.78607	0.4
497.30981	3.6
506.33569	0.4
519.29419	4.5
544.53015	0.4
659.36261	3.1
666.66754	0.4
681.34601	5.7
775.53619	1.3
789.52979	0.4
937.58643	100.0
938.58136	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	6.7
69.03426	4.6
69.07063	7.9
69.89973	8.2
71.05000	37.2
73.02908	6.0
75.04483	5.9
76.40559	1.6
79.05480	5.8
80.13659	2.1
81.03437	3.2
81.07061	16.9
83.04988	36.2
83.08623	7.9
85.02911	94.0
87.04446	3.8
89.06041	5.9
91.03969	12.1
91.05453	4.9
93.07056	11.1
95.01334	5.5
95.08620	27.8
97.02906	16.2
97.06499	3.0
97.10178	6.1
98.21439	3.0
99.04427	2.5
103.03949	2.8
105.07036	10.0
107.04980	2.5
107.08601	14.6
109.02889	1.7
109.10149	13.7
111.04448	23.4
119.08604	12.3
121.10156	14.4
123.11703	7.4
127.03929	10.0
129.05495	39.9
131.08521	4.9
133.08627	3.0
133.10118	10.2
135.11708	11.6
137.13283	11.0
141.01822	29.4
145.04970	12.8
145.10136	13.2
147.06532	19.7
147.11707	10.0
148.58144	1.9
149.13280	5.2
157.10149	2.6
159.02899	11.6
159.11699	11.1
161.13293	8.5
163.06017	18.7
163.14873	2.7
173.13290	3.6
175.14790	3.0
177.16399	4.6
183.02963	6.7
185.13217	3.0
187.14806	8.2
189.16440	9.6
191.17958	18.8
193.12213	1.9
199.14801	3.0
201.16397	9.3
203.17928	7.7
207.13794	3.6
213.16370	3.9
215.17928	1.9
219.13811	3.0
225.16263	2.2
231.13898	2.3
231.21046	2.3
233.15300	2.4
247.16966	12.3
255.08636	6.6
259.16971	7.4
269.06522	1.9
269.22812	1.9
273.09604	3.6
273.18524	2.5
274.27487	2.1
275.20035	2.1
285.18701	2.8
287.07758	4.6
287.20044	7.7
299.20166	2.9
301.07050	3.7
305.08588	7.5
309.11862	6.6
313.21497	4.0
317.06616	2.3
321.07956	2.5
327.23187	2.7
329.06720	1.8
360.96655	2.0
391.33649	2.2
401.15128	1.9
411.32083	1.8
437.34201	100.0
438.34576	5.8
455.35052	9.4
491.15833	2.2
759.33234	3.7
776.33661	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40191	0.4
67.05175	0.6
67.05509	7.7
69.03436	3.1
69.07069	9.4
69.85831	0.4
69.96217	1.6
71.01357	1.5
71.04995	51.4
71.08624	0.8
73.02923	5.5
75.04482	5.8
79.05495	4.0
81.03415	1.1
81.07059	26.5
81.22801	0.3
83.01366	0.5
83.04986	17.2
83.08622	6.3
85.02906	100.0
85.06506	0.5
86.06071	0.8
87.04480	1.8
91.03958	9.4
91.04527	0.5
91.05479	3.6
93.07045	13.3
93.07638	0.6
95.01333	5.6
95.04971	1.1
95.08609	48.7
97.02889	10.3
97.10178	3.0
99.00834	0.9
99.04457	1.9
99.08105	1.1
101.02377	0.7
101.06032	1.2
103.03944	2.8
105.07036	8.5
107.08596	22.3
109.02877	1.7
109.06549	0.6
109.10154	26.8
111.04443	22.8
111.08046	0.4
111.11723	1.1
113.02362	2.1
113.06039	0.7
115.03947	1.6
117.07046	1.0
119.08587	13.5
121.10146	23.7
123.11707	15.9
125.09660	0.7
125.13257	0.9
127.03925	8.9
129.05482	44.7
131.03424	1.1
131.08565	4.6
133.10135	12.0
135.04532	0.4
135.11694	17.2
137.02344	0.4
137.13255	15.7
139.03934	0.6
139.11285	0.9
141.01830	32.3
143.08571	0.8
145.04965	9.6
145.10109	6.1
146.08185	0.9
147.06522	38.0
147.11678	9.5
149.13263	18.8
151.11157	0.4
151.14836	1.9
157.05040	0.5
157.10159	1.0
159.02892	14.7
159.11699	6.6
161.13255	10.6
163.06020	26.9
163.11111	0.7
163.14828	7.4
164.09152	2.3
165.01785	0.6
165.07584	3.1
165.12840	0.7
169.04974	0.9
171.06520	1.4
171.11736	1.7
173.13275	5.4
175.14830	9.5
177.03935	2.6
177.05299	0.5
177.12805	1.1
177.16388	15.3
179.17984	1.3
183.02911	0.8
185.13284	1.2
187.14824	4.4
188.09261	0.6
189.16393	7.8
191.14342	0.6
191.17947	13.3
193.15894	0.7
193.19566	0.6
199.14847	0.6
201.16399	6.4
203.17972	12.2
205.16179	0.7
205.19521	17.5
207.17429	1.8
209.08023	0.4
213.07594	0.8
213.16393	1.1
215.17972	9.0
215.19939	0.7
217.19522	10.3
217.21608	0.7
219.17484	3.9
219.21111	1.7
221.18962	2.9
227.17982	1.4
229.19521	10.8
231.04958	0.5
231.08621	0.8
231.21077	3.3
233.19023	7.8
235.20590	0.8
237.07639	1.0
241.07175	0.7
241.19562	1.7
243.08626	0.4
243.21094	1.5
245.19107	0.9
245.22581	2.1
247.20595	4.8
251.05652	0.8
255.08655	5.4
255.21124	2.2
257.22577	3.7
259.08151	0.6
259.20667	0.7
259.24048	0.7
261.06235	0.5
261.22180	1.2
269.06589	4.4
269.22617	2.7
271.24237	1.3
273.09717	6.4
273.22260	1.5
275.23715	3.8
283.24194	1.2
285.06100	0.9
285.25574	0.6
287.07639	7.9
287.23727	1.9
291.10822	1.8
297.25897	1.1
301.25293	1.2
303.07117	0.9
305.08688	14.2
309.11819	13.1
311.27420	0.5
313.28854	1.6
315.26703	0.5
321.08124	3.4
323.09744	6.1
339.09189	6.1
341.11011	0.6
342.73718	0.4
353.31976	1.6
367.33591	0.7
383.32822	0.5
407.36722	28.3
425.37775	91.6
426.38321	1.9
431.11920	1.1
466.99734	0.5
467.13959	0.4
586.89349	0.4
747.11377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.1
67.05492	0.1
68.99791	0.8
69.03435	3.1
70.06594	0.1
71.01364	0.2
71.05002	0.4
71.52340	0.1
73.02932	0.5
79.05497	0.3
79.91730	0.1
80.42235	0.1
81.03426	4.7
81.07052	0.1
83.01345	0.2
83.04989	0.2
85.02911	3.6
86.09713	0.1
87.00839	1.3
87.04486	0.1
91.03965	0.2
91.05486	0.2
93.07082	0.1
95.01303	0.1
95.04987	0.2
97.02901	3.2
97.06544	0.1
99.04464	1.2
100.11280	0.1
101.02364	0.1
101.62745	0.1
103.03950	0.1
103.05466	0.1
105.01854	0.5
105.07072	0.1
107.04979	0.5
109.02889	8.4
109.06523	0.1
111.04446	0.5
113.02393	0.1
113.80502	0.1
115.03921	0.1
115.05463	0.3
117.01838	0.2
117.07030	0.5
119.04984	0.2
119.08636	0.1
121.02925	0.1
123.04491	0.3
124.05210	0.1
125.02375	0.4
125.03141	0.1
125.05965	0.1
127.03928	100.0
128.04294	0.3
129.01839	0.7
129.05501	0.1
131.04906	0.1
131.08609	0.1
133.06462	0.1
135.04385	0.1
137.02335	0.1
137.05963	0.2
139.03889	0.2
141.01843	1.7
143.03438	0.1
144.05649	0.1
145.04974	1.5
145.06493	1.1
147.02936	0.5
147.04417	0.3
149.02451	0.1
151.03889	0.2
153.01830	0.1
155.06079	0.2
156.05710	0.3
157.06508	0.1
159.02913	0.7
159.08066	0.3
161.05977	0.2
163.03868	0.2
163.06030	0.1
165.05557	0.1
167.07062	1.7
173.05995	1.9
175.03922	0.2
175.07503	0.1
177.04099	0.1
177.05487	0.3
179.06972	0.1
181.04939	0.2
181.08670	0.1
187.07582	0.2
189.05502	0.3
190.06252	1.2
193.04955	0.2
193.08617	0.1
195.02919	0.3
201.03937	0.2
202.06281	0.2
203.07033	0.2
205.04851	0.1
205.08621	2.6
207.06523	0.3
209.07898	0.1
213.03934	1.1
217.04962	0.2
217.08640	1.3
219.08170	0.1
219.10170	0.1
223.09737	0.1
231.05017	1.3
235.06062	0.4
235.09689	0.6
247.09842	0.3
249.06065	0.2
253.06931	0.1
255.04932	0.1
259.04654	0.1
263.81107	0.1
265.10721	0.8
267.05026	0.1
273.06064	0.6
279.10120	0.1
285.06049	0.3
286.04599	0.1
287.05542	0.1
290.09222	0.1
291.07065	0.1
291.10147	0.1
301.07089	0.2
302.07205	0.1
303.07138	0.3
307.09399	0.1
315.08640	0.2
321.06189	0.1
323.12906	0.1
330.11026	0.2
331.11646	0.1
339.07141	0.7
351.12338	0.1
357.08170	1.4
369.13266	0.1
371.14777	0.2
375.04761	0.1
375.09238	0.9
383.14987	0.5
393.10233	0.1
401.16098	0.4
417.15207	0.1
440.96863	0.1
501.12720	0.3
519.13434	1.1
667.62756	0.1
710.75641	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	935.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
67.05511	7.9
68.05850	0.7
69.03443	0.7
69.07079	2.0
71.01344	0.6
71.05012	0.7
76.59215	0.4
79.05495	7.4
80.05876	0.6
81.03425	3.3
81.07065	6.8
82.07394	0.5
83.01336	0.4
83.05002	1.6
83.08645	1.6
85.02926	2.1
85.06537	0.5
87.40235	0.3
91.04009	0.6
91.05482	4.7
92.05862	0.7
93.07053	8.5
93.34640	0.3
94.07410	0.5
95.04989	1.7
95.08613	6.0
95.09161	0.4
96.08994	0.5
97.02883	2.1
97.06540	1.8
97.10192	0.6
99.04508	0.7
100.81898	0.3
105.07026	2.8
106.07334	0.5
107.04988	1.5
107.08591	4.1
108.08973	0.8
109.06551	1.3
109.10169	2.1
111.04443	2.5
111.08099	0.5
117.07027	1.8
118.07310	0.5
119.08600	2.9
121.06515	1.1
121.10155	3.5
121.10846	0.4
121.58620	0.4
122.10498	0.9
123.08096	1.1
125.06100	0.5
125.09612	0.6
129.07063	0.6
131.08588	2.5
133.10138	1.2
135.08098	0.6
135.11697	3.0
137.09634	0.5
145.10132	3.1
146.10501	0.8
147.11760	0.8
149.13287	0.7
153.12796	0.9
159.11710	0.7
161.13297	0.8
163.11201	3.8
164.11588	0.4
168.00658	0.4
173.09621	0.5
173.13272	0.6
181.12299	0.5
183.02998	1.1
186.01698	0.4
191.10837	0.6
201.26047	0.4
209.11810	0.8
221.10928	0.6
222.11513	0.4
223.13376	2.2
224.13736	0.5
227.12857	1.2
235.12471	0.4
241.14359	2.1
247.12590	0.4
261.22250	0.9
265.14459	1.3
267.15759	0.5
283.15482	1.4
297.16986	0.5
301.07288	0.5
313.27228	0.4
315.18066	4.4
316.18488	1.1
335.25790	9.3
336.26178	3.2
363.16479	0.4
377.17755	1.0
378.18433	0.7
387.16299	0.4
389.17743	0.7
391.19315	1.8
392.20160	0.5
400.17163	0.5
401.17920	1.1
402.18423	0.6
403.19482	1.2
404.20190	0.7
405.20859	1.3
406.21478	0.8
407.22244	1.8
412.16870	0.4
413.17886	0.9
414.18631	0.9
415.19208	2.5
417.21075	1.3
418.21823	0.5
419.22852	0.9
420.23596	0.5
428.20364	0.8
429.21054	1.7
430.22165	0.6
433.19626	0.6
433.24689	0.7
434.20914	0.7
435.21750	2.0
442.17374	0.5
443.18381	0.8
444.19537	1.2
445.20370	1.3
446.21307	0.5
447.22064	2.0
457.20593	0.8
459.17343	0.6
459.22699	0.6
461.23563	1.1
462.24261	0.8
469.16946	0.4
471.22052	1.3
472.23209	0.6
473.20157	1.5
474.20648	0.6
475.21362	1.7
485.19952	0.6
486.21185	1.0
487.21487	1.3
488.22934	0.5
489.22897	1.8
490.24036	2.5
491.24615	1.1
499.21353	2.1
503.24554	0.7
515.21039	1.5
517.22333	7.9
519.24823	0.8
520.25006	0.7
521.25769	1.0
522.26630	0.6
525.36072	1.7
526.35876	0.8
531.24622	2.3
535.21661	0.7
543.36835	7.7
544.37134	4.9
545.20544	0.5
546.21155	0.4
547.24170	2.1
548.18628	0.8
549.18445	0.8
549.24915	2.0
550.19989	0.4
559.23547	10.7
561.19000	0.8
562.20270	1.6
563.20734	3.2
564.21637	1.1
574.19806	0.5
575.21149	0.7
575.39429	9.8
576.21210	0.8
576.39844	7.9
577.22266	2.1
578.23297	2.4
579.23969	1.9
587.22809	1.2
589.22290	1.4
590.20715	0.7
591.21844	1.2
593.22211	0.5
601.22076	0.5
603.20874	1.1
605.21564	2.7
606.22620	4.8
607.23370	3.0
617.21906	2.2
618.22852	0.9
619.25403	2.8
632.20612	0.9
633.21716	2.4
634.24188	0.5
663.25586	0.5
665.27588	2.1
691.25677	1.4
692.26190	1.3
693.27118	5.8
694.27838	1.3
719.25189	2.4
720.25861	0.8
721.26501	0.6
729.22211	0.5
745.23438	0.8
759.25037	0.5
771.25378	0.8
773.23206	1.7
786.22986	0.5
801.25214	0.6
809.26721	0.7
843.25684	0.6
847.29333	0.9
875.29242	22.7
876.29614	0.5
885.28729	0.5
903.28839	1.6
907.31586	2.3
917.30872	1.2
935.31354	100.0
936.31573	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	927.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.8
68.99787	2.4
69.03429	1.7
69.07066	2.5
71.04983	1.3
71.52403	2.1
79.05499	3.2
81.03429	2.8
81.07050	3.4
83.04978	1.4
83.08592	2.0
85.02934	4.4
91.05482	2.6
93.07038	2.4
95.08617	2.3
97.02913	1.5
97.06514	1.6
100.72897	1.2
105.03394	2.5
105.07047	2.4
107.04961	2.3
107.08575	2.9
109.10155	1.5
111.13947	1.4
118.04240	1.3
119.08583	2.0
121.02895	5.1
121.10165	1.6
127.00269	1.5
127.03928	2.6
131.04997	1.2
131.08525	1.7
133.02910	2.0
133.10185	1.7
135.11694	1.7
139.74982	1.4
145.10164	1.3
147.04427	3.1
153.01834	2.3
165.01810	1.5
168.00629	5.3
169.01416	3.1
171.02991	1.5
183.02931	11.2
186.01688	4.1
206.02155	1.4
211.77730	1.3
214.86768	1.2
221.04527	1.9
223.61623	1.5
229.65746	1.3
253.03413	6.7
257.04349	2.2
267.16245	2.2
284.03278	3.6
285.03940	17.1
286.04654	11.7
298.05008	1.9
301.07053	23.0
309.04147	1.6
312.02835	2.4
313.03415	16.1
313.06680	2.1
314.04449	2.5
318.05286	1.4
327.05157	3.5
328.05795	25.7
329.06522	1.6
340.02127	15.2
341.03372	1.5
344.01474	1.4
346.04993	2.8
347.05591	4.8
355.04541	16.8
361.07193	2.4
366.13693	1.4
375.05106	2.0
387.04825	2.1
402.03668	1.9
416.05566	2.0
417.06165	2.4
429.06201	1.7
457.05795	3.1
460.28564	2.3
469.05853	1.9
482.06732	1.8
483.07196	2.5
485.05484	3.1
497.05237	3.4
500.07599	3.3
510.06516	2.4
513.04498	6.4
515.08972	1.9
525.05029	1.6
528.06860	10.8
530.08917	3.0
531.08862	2.0
540.06946	3.9
541.04376	2.7
543.09277	25.0
543.16888	1.9
545.10913	3.0
555.09143	5.0
556.06982	3.1
571.08875	10.5
573.09863	2.7
581.08002	1.5
584.07001	2.0
599.08154	12.9
627.07910	5.9
641.07953	1.7
669.07019	1.9
713.09607	2.2
731.10193	2.9
881.13062	6.1
891.11914	1.9
899.13928	8.0
909.13000	31.9
927.13995	100.0
928.14435	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.6
67.05510	33.9
69.03445	2.7
69.07069	10.9
69.07419	0.8
69.30534	2.9
69.30946	0.8
71.05000	1.8
71.08638	19.1
73.02924	3.7
79.05499	20.0
81.03426	1.2
81.07063	37.3
83.04993	0.9
83.08624	8.3
85.02912	15.0
85.06541	1.1
85.10189	10.3
88.82121	0.4
89.06039	1.3
91.03953	9.3
91.05488	10.0
93.07053	24.0
95.04977	1.1
95.08614	35.3
97.02905	8.1
97.06549	1.1
97.10175	5.5
98.20670	0.8
99.04453	1.0
99.08109	1.3
99.11723	0.6
103.07618	0.7
105.04520	0.4
105.07043	7.6
107.08601	14.5
109.02899	0.7
109.06538	0.5
109.10165	17.7
110.73015	0.4
111.08085	0.8
113.09628	0.6
115.03892	0.6
117.07021	3.3
117.09180	0.8
119.08594	5.9
121.10152	11.9
123.08067	0.7
123.11718	6.4
125.13284	0.5
127.03927	3.7
129.06998	0.5
131.08577	6.0
133.10164	5.6
135.11705	8.5
137.09683	0.7
137.13263	2.2
139.11240	0.7
145.04947	4.9
145.10123	4.3
147.11694	4.9
149.13286	6.8
151.14867	0.7
153.12788	0.6
159.11719	4.4
161.13260	3.3
162.07593	0.4
163.06029	6.7
163.14819	3.7
165.16388	0.5
173.13277	4.3
175.14844	1.5
177.16385	1.5
187.14857	2.1
191.14352	0.4
205.16045	0.4
221.22754	0.6
233.22678	1.2
239.23752	2.1
243.21112	9.1
257.24814	1.2
261.22159	34.6
279.23257	1.0
299.23633	0.8
313.27390	100.0
314.27441	0.7
317.24731	5.7
335.25824	83.2
336.26163	1.0
499.45032	1.3
573.48810	44.8
591.49896	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	935.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.5
67.15974	0.4
69.03413	0.6
71.46750	0.4
71.52338	0.7
79.05515	1.1
81.07076	1.5
85.02935	0.5
91.05486	0.6
92.11893	0.5
93.07043	1.1
95.08635	0.9
121.02918	0.8
155.53838	0.4
163.11203	0.5
167.94028	0.5
177.64505	0.5
271.02371	0.7
298.04865	1.0
299.05698	1.1
312.11551	0.5
313.03687	0.7
313.07294	1.7
313.27740	0.4
314.13602	0.5
327.04953	5.0
330.03882	0.6
335.25897	1.4
336.26532	0.6
356.13733	0.5
387.16324	0.5
391.19415	0.7
393.20801	0.6
398.15399	0.7
399.16425	1.0
401.17938	0.5
402.19608	0.5
405.20972	1.6
412.17059	1.0
413.17902	1.9
415.19513	0.7
427.19717	2.4
428.20435	1.0
429.21542	0.6
441.21588	1.3
442.22498	0.7
443.18408	1.0
444.19458	0.6
445.20389	1.5
455.18939	0.9
456.19241	1.6
457.20743	1.1
459.17700	0.8
461.19675	0.6
469.20602	1.1
470.21799	1.1
471.18488	3.4
473.20386	1.0
483.18326	0.9
484.19220	1.4
485.19958	1.3
486.20920	0.8
487.20926	0.7
489.19000	1.0
497.19827	3.3
498.21310	2.3
499.21475	1.5
503.21487	0.5
515.20941	1.3
517.22742	0.7
521.25897	0.7
525.19464	1.3
529.22693	2.3
530.23004	0.6
531.24335	2.3
543.37378	0.6
557.21973	16.4
557.30463	1.0
558.22534	0.6
559.23804	1.3
585.21692	1.5
617.24261	4.1
670.23981	0.5
675.22699	0.9
685.23535	0.5
689.23932	0.6
695.19696	0.6
711.22687	0.7
743.25171	0.6
745.24664	0.7
755.23639	1.7
769.27185	3.3
771.23523	1.4
773.25964	1.0
787.26300	0.8
797.26563	1.0
805.29492	0.8
813.24640	1.0
819.28998	0.5
828.28552	1.2
829.28564	1.0
833.28168	0.9
841.24847	1.4
847.29163	0.8
857.28351	13.9
885.27008	2.6
903.29724	0.8
907.32300	1.1
917.30316	56.8
918.30389	1.9
935.31409	100.0
936.31360	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.7
67.05179	1.4
67.05508	15.1
68.99796	2.0
69.03432	12.9
69.07071	71.0
71.05001	8.8
71.08620	1.3
71.52306	1.4
72.77356	1.1
73.02914	3.4
73.06553	3.7
79.05500	14.9
81.03423	16.7
81.07062	26.4
83.04987	7.3
83.08619	16.5
85.02913	24.6
85.06535	2.8
85.20753	1.4
87.00829	9.1
87.04470	14.7
87.08107	2.6
89.06036	87.2
91.05460	4.0
93.07047	32.9
95.04961	4.3
95.08611	25.7
97.02892	8.7
97.06532	31.7
97.10157	2.9
99.04457	4.8
99.08068	1.4
101.05990	3.1
103.03922	1.7
103.07578	1.5
105.01858	4.1
105.07039	2.1
107.07070	1.9
107.07873	2.3
107.08599	38.7
109.02892	15.3
109.10162	15.6
111.08096	8.5
111.11722	9.2
113.09710	1.4
115.07586	2.4
116.71214	0.9
117.01844	1.5
117.09126	4.6
121.06497	2.1
121.10153	3.4
127.03918	16.2
129.01811	2.2
129.09117	2.9
131.06108	1.0
131.07027	5.4
133.08607	68.7
135.11699	85.6
139.11221	2.8
145.04936	3.2
147.02974	1.3
147.10107	1.5
149.13269	2.5
153.12753	100.0
157.12238	2.3
159.02907	6.9
161.11800	1.0
167.07025	1.6
167.14326	1.6
171.13808	94.9
173.11699	1.2
175.09686	6.4
176.07109	1.2
177.11241	35.2
189.14886	1.5
191.12848	1.7
193.15941	1.2
197.15382	45.1
204.10135	1.5
211.16899	6.1
212.16354	1.5
213.03940	2.3
213.14999	1.6
215.16449	10.8
219.12387	1.8
221.13884	7.8
227.16483	1.7
229.17995	45.2
237.13461	1.1
239.14880	1.8
241.17943	1.1
247.19106	2.6
255.19579	2.6
259.18991	2.6
265.16434	5.2
273.20602	1.2
283.17557	4.6
286.04675	2.2
287.22220	10.0
301.07062	3.8
302.07455	1.6
309.19208	2.1
327.20108	4.7
347.24197	3.0
353.21533	4.1
371.22760	39.0
391.27045	2.2
411.25870	8.3
429.27136	7.3
469.29898	4.7
523.34558	4.1
556.84656	1.2
581.38928	2.4
639.42798	3.0
657.44000	8.8
904.46051	1.4
922.51660	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	921.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08565	0.7
71.52732	0.7
85.10150	0.8
170.08376	0.5
191.20940	0.5
199.53004	0.4
279.17966	0.5
360.14841	0.6
361.45209	0.5
362.15833	0.6
387.16098	1.7
388.17126	1.5
389.17862	1.0
399.16263	0.9
400.17075	0.8
401.17764	3.9
402.18600	3.5
403.19196	4.6
404.20593	2.0
405.20740	3.2
412.17603	0.6
413.17865	1.8
414.18591	2.6
415.19479	4.5
416.20279	3.1
417.21118	7.2
418.21719	1.3
419.22449	3.5
421.23941	1.6
427.19119	1.9
428.20142	2.1
429.21039	10.7
430.17838	2.0
430.22202	1.6
431.18515	7.9
431.22690	7.1
432.18549	0.9
432.23145	2.0
433.24072	4.3
434.24738	7.9
441.21240	0.8
442.21530	1.6
443.22513	8.0
444.23813	4.1
445.20129	18.2
446.21103	4.8
446.26904	0.8
447.21887	1.0
449.23242	3.2
449.84485	0.6
455.18463	1.1
456.19595	1.0
457.19263	1.3
457.24026	2.9
458.25037	4.9
459.21530	9.9
460.22589	43.1
461.23468	8.7
462.20233	0.7
469.19907	0.5
470.21094	1.7
471.21716	2.1
472.23062	4.7
473.24231	2.7
476.22208	1.1
477.23035	3.5
485.23502	10.2
486.24915	2.8
487.21207	24.1
488.21948	0.9
489.22784	1.6
492.25266	11.5
499.21240	1.4
500.22049	0.7
503.24643	2.3
505.22281	12.0
513.22876	1.6
514.23651	1.2
515.24652	0.6
517.26135	5.4
518.26831	0.5
519.23938	7.4
520.24707	31.0
529.26233	1.4
531.23859	1.9
533.25690	0.9
545.25537	61.8
546.26355	2.6
547.26904	1.3
559.23633	1.0
573.24963	11.6
574.25793	66.0
575.26031	2.3
605.27625	100.0
606.19214	0.9
606.28296	10.8
921.33539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46928	2.5
70.06546	0.7
71.08595	0.8
76.98335	0.3
79.05457	0.3
80.59708	0.3
85.10145	0.7
86.65919	0.3
88.60676	0.4
116.07045	1.2
165.02936	0.3
179.28822	0.4
179.31799	0.4
235.40633	0.4
244.09766	0.4
257.24777	0.5
269.10919	0.4
300.15445	0.4
310.13028	0.4
376.18094	0.5
386.15390	0.4
387.16132	1.3
388.17062	0.6
389.17923	1.1
391.19662	0.4
398.15668	0.5
399.16406	0.7
400.16943	0.8
401.17737	3.1
402.18591	2.8
403.19217	3.5
404.20538	1.9
405.21158	1.8
412.18066	0.5
413.17932	1.2
414.18484	2.0
415.14630	0.4
415.19366	5.3
416.20639	2.0
417.21121	6.7
418.21640	0.6
419.22327	2.6
421.23969	1.1
427.19214	1.5
428.20059	2.9
429.20911	11.1
430.17590	1.5
430.21875	1.3
431.18384	5.9
431.22580	7.1
432.24091	2.0
433.24039	4.0
434.24838	5.3
442.21466	1.5
443.22760	5.8
444.23984	3.7
445.20132	16.2
446.21014	5.6
447.21860	0.5
449.23447	2.7
455.18515	0.8
456.19571	0.6
457.19656	1.1
457.24146	1.9
458.25293	3.6
459.21628	11.2
460.22626	36.3
461.23410	8.4
462.20474	0.8
470.21057	1.4
471.22351	2.5
472.22897	4.6
473.23245	2.0
476.22290	1.1
477.23093	3.3
485.23587	7.7
486.24826	2.9
487.21100	21.7
488.21967	1.2
489.23074	2.0
490.23572	0.7
491.25052	0.5
492.25232	10.2
499.21274	0.8
500.22159	0.8
501.23114	0.5
503.24539	2.5
504.21304	0.5
505.22281	11.8
513.22839	2.1
514.23822	0.9
515.24310	0.8
517.26080	5.9
518.26532	1.3
519.23944	6.3
520.24744	32.5
521.25049	0.6
529.26257	0.6
531.24084	1.1
533.25323	0.5
545.25537	53.0
546.25952	2.6
547.27069	1.4
559.23553	1.1
573.25055	11.3
574.25787	68.6
575.26398	2.7
605.27643	100.0
606.28387	12.4
861.98242	0.4
921.33215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05544	0.4
71.37711	0.7
71.38067	0.3
80.79875	0.3
88.80499	0.3
183.02980	0.7
360.63589	0.5
389.17230	0.4
390.18530	0.6
391.19238	1.9
392.20206	0.7
403.19345	0.7
404.20102	0.7
405.20731	2.6
406.21603	1.9
407.22430	0.9
415.19037	0.7
417.20959	1.0
418.21899	0.5
419.22491	1.3
420.23273	1.6
421.23904	4.3
428.19788	0.5
429.20981	1.0
430.21640	0.6
431.23010	0.5
432.22995	0.6
433.24255	2.2
434.24872	0.8
443.22589	0.8
445.19891	0.8
447.26108	0.8
448.25836	0.4
449.23734	0.5
459.21667	1.6
460.22998	0.6
461.23587	1.4
472.22864	0.8
473.23758	0.7
475.25229	0.5
476.26062	2.6
477.26724	0.7
479.24408	0.5
485.23734	1.3
487.21509	0.8
488.21719	0.4
491.24496	0.7
493.26392	0.4
501.23456	0.9
502.23477	0.5
503.24271	3.7
505.26099	0.5
506.26889	0.8
507.27777	1.3
508.28513	0.8
517.26312	0.7
533.25580	2.2
535.27753	2.8
545.25677	6.9
548.21704	0.5
549.23657	1.8
550.79193	0.4
559.21436	0.5
561.19714	0.6
562.20709	1.3
563.20508	2.1
564.23456	0.6
565.27875	0.5
573.24963	1.6
575.21008	0.7
576.23047	0.5
577.22113	2.8
578.23206	1.4
579.24377	0.7
588.23474	0.5
589.23071	0.6
590.22858	1.1
591.23657	1.8
592.24731	6.1
593.25409	5.2
601.26385	0.5
603.23895	1.1
604.24768	0.9
605.26514	2.0
618.22827	0.8
619.23523	3.1
620.27173	0.4
631.24182	0.4
651.29871	1.9
664.27545	0.7
677.27753	0.6
678.28369	1.3
679.29230	5.8
680.29913	1.6
705.26520	2.6
706.28693	0.6
707.28503	2.5
745.24939	0.6
759.24384	2.4
773.27130	0.5
774.26331	0.5
787.27393	0.9
798.26190	0.5
800.25439	0.4
819.28180	0.5
829.27454	0.4
831.27454	0.4
833.31763	0.4
843.29980	0.4
846.28406	1.0
861.31195	11.0
862.31879	0.6
920.54034	1.6
921.33423	100.0
922.33545	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	921.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.4
69.03419	0.4
74.00996	0.2
78.22607	0.2
78.31345	0.2
81.03406	0.7
85.02895	0.6
91.05476	0.2
91.81492	0.2
97.02887	0.4
98.20733	0.5
105.07022	0.2
109.02876	0.5
116.06210	0.2
118.04176	0.5
119.04974	0.3
119.08574	0.2
127.03914	0.9
131.04903	0.2
132.05666	0.2
135.04422	0.2
137.02393	0.3
137.05998	0.3
140.01030	0.4
147.04417	0.6
149.37283	0.2
153.05544	0.2
157.06461	0.3
159.04419	0.3
160.05205	0.2
163.03938	0.2
165.06927	0.4
167.07091	0.4
168.00552	3.7
169.01382	0.5
177.05536	0.3
178.07791	0.2
181.04933	1.2
181.06419	0.4
184.05185	0.4
185.06021	0.3
186.01584	1.7
187.03885	0.2
189.01837	0.3
191.03419	0.3
191.08418	0.2
193.06493	0.3
197.06003	0.3
201.01906	0.5
205.06499	0.3
207.06474	0.4
207.08144	0.3
210.06769	0.4
212.04726	0.6
213.05472	0.5
219.08035	0.9
220.05203	0.7
221.05988	0.8
222.06825	0.3
223.07533	0.4
224.04858	0.2
224.08357	0.2
225.03906	0.4
227.07042	0.3
229.05028	0.7
233.06041	0.4
234.06789	0.8
235.07469	1.0
236.04691	0.3
237.05421	1.0
238.06299	1.3
239.07095	0.9
240.04207	1.4
241.04942	1.5
247.07608	1.0
248.04706	1.4
249.05417	1.4
250.06300	0.8
251.03300	0.4
251.07095	0.5
252.04219	0.5
253.04892	0.3
255.06506	1.3
256.07263	0.6
257.04556	0.4
258.05276	2.0
262.06284	0.9
263.06989	1.4
264.04205	0.3
264.07584	0.3
265.05023	3.5
265.07996	0.4
266.05743	2.4
267.06467	1.6
268.03671	4.0
268.06610	0.3
269.04483	3.8
269.07681	0.3
271.05884	0.2
275.07214	0.4
276.04224	0.3
277.04959	1.1
277.08521	0.4
278.05637	1.1
279.06467	1.1
280.04199	0.2
280.07285	0.9
281.04553	0.5
281.08087	2.1
282.05072	0.5
283.06049	3.9
284.06934	1.0
285.03943	6.9
286.04733	67.4
287.05341	1.6
290.05716	1.5
291.06534	1.2
292.03717	0.2
292.07364	0.5
293.04459	2.2
293.08105	1.8
294.05280	1.9
295.06079	2.3
296.03061	0.5
296.06787	1.0
297.03946	0.7
298.08365	0.3
299.09149	5.6
300.09854	0.3
301.07077	100.0
302.07428	1.3
305.07983	0.7
306.04990	0.2
307.06046	0.6
308.06787	3.0
309.07602	4.0
310.05045	0.3
310.08243	1.0
311.05533	11.1
311.08813	0.5
312.06302	2.1
318.05222	0.2
319.06012	0.2
320.03204	0.2
321.07413	0.3
322.08148	0.2
323.09036	1.5
324.06323	0.2
325.07220	0.3
325.10727	0.6
326.07864	41.2
327.08633	18.0
328.08923	0.3
333.07541	2.3
336.06284	1.4
337.07132	0.6
338.07852	0.5
340.05872	0.5
341.10248	1.5
343.08102	0.5
344.08981	0.6
345.09747	0.5
349.07208	0.2
351.08655	15.7
352.09378	0.2
353.06540	0.4
353.10321	2.5
355.08215	1.8
363.05222	0.2
364.05682	0.3
367.08179	0.4
369.09708	6.5
369.14401	0.4
371.11298	0.4
379.08167	8.5
381.05942	1.0
395.07654	2.1
397.09195	3.0
413.08633	1.2
415.10226	0.4
415.36874	0.2
423.07187	0.9
441.08124	3.0
459.09253	8.5
470.11978	0.3
477.10425	0.6
488.12747	0.5
498.37134	0.2
596.73676	0.2
603.13373	2.9
603.75006	0.2
621.14526	0.6
740.49542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16306	0.5
70.63474	0.8
81.06990	0.6
85.02847	0.8
87.72714	0.6
117.77426	0.5
121.02744	0.5
133.02788	0.6
146.08092	0.9
178.19447	0.5
178.21941	0.6
209.10643	0.9
221.10629	1.6
223.12177	1.0
235.12135	0.7
237.10071	0.6
268.03824	0.6
298.04675	1.5
313.07138	0.8
327.05106	0.9
338.12744	0.8
339.05331	1.0
362.16193	0.6
363.16132	0.9
374.16199	1.0
375.16986	0.7
376.17154	1.0
377.17529	2.2
378.18311	1.2
386.15182	0.9
387.16061	1.2
388.17889	0.8
389.17633	1.8
390.18423	1.0
391.19150	1.6
392.19855	1.3
398.15353	0.6
399.16159	1.7
400.17126	2.0
401.17667	4.0
402.18329	2.0
403.19025	1.9
404.19644	1.6
405.20630	2.1
407.22537	3.6
413.17819	2.8
414.18677	4.3
415.19510	6.9
416.20572	1.3
417.21042	3.7
419.22253	1.9
425.17548	1.0
427.19302	1.8
428.20810	2.6
429.21490	6.9
430.21509	2.4
431.18524	2.3
432.19537	0.9
435.21713	5.1
439.19308	1.2
441.17023	1.9
442.17908	2.1
443.18298	3.4
443.22601	4.1
444.18918	4.6
445.20071	4.4
446.21301	1.3
447.22205	3.6
455.18671	1.4
456.19672	2.0
457.20599	6.0
458.21231	3.8
459.17422	1.1
459.22168	2.0
460.23010	0.7
461.24274	0.8
471.22293	7.3
472.23151	5.3
473.19345	7.0
474.20535	4.0
475.21130	3.9
479.24686	0.8
481.20120	0.7
482.21564	0.8
483.22076	0.8
484.19464	1.0
485.19440	2.5
486.20605	6.8
487.21265	7.6
488.22232	2.7
489.23105	1.4
490.19064	1.5
490.23874	2.0
491.24432	1.7
493.26569	1.0
495.17728	0.8
499.21393	14.5
500.22784	2.8
501.23654	4.0
503.25278	3.7
507.23703	1.4
510.20041	0.8
511.21320	1.6
513.18903	1.1
515.20984	0.9
516.21838	1.7
517.22314	5.2
520.24701	0.9
522.26282	1.9
527.20856	2.4
529.22729	1.2
531.24030	16.0
533.25806	1.0
539.20020	0.8
541.22162	0.6
543.23889	0.8
559.23462	65.8
560.23871	1.6
561.25140	3.0
585.23395	0.9
587.22968	6.6
619.25543	80.9
620.25836	1.8
638.19409	0.7
640.20367	0.7
642.19867	1.0
643.20667	0.8
649.19641	0.9
655.20593	1.7
657.23389	1.0
659.25085	0.7
659.35864	0.9
668.20782	0.7
669.21533	1.7
670.21814	1.9
671.23230	1.1
673.23755	0.9
681.23535	1.5
683.20770	0.9
684.23163	0.8
685.25140	3.2
686.25073	0.7
696.20490	0.8
697.21228	0.8
698.22485	0.9
699.23059	2.1
700.23047	1.2
701.24109	0.6
712.23022	0.7
713.02368	0.7
713.24030	6.7
714.24219	2.5
715.25470	1.5
727.25311	1.1
728.25891	1.1
729.24774	2.2
731.25793	0.6
743.25409	0.9
755.25684	0.7
756.25732	0.7
757.23438	2.7
759.26880	1.3
760.29211	2.1
771.26453	1.5
772.26410	1.5
773.27722	1.7
783.26093	1.3
784.25336	1.3
785.25909	2.3
786.25433	0.8
787.27356	0.8
788.28290	0.9
799.27258	1.8
800.27722	1.8
801.27765	1.6
811.25018	0.8
816.28802	0.9
827.27356	1.6
831.30597	1.7
832.30817	0.8
842.29950	0.9
843.27893	0.8
855.26910	3.1
859.29761	64.3
860.30334	2.3
887.29285	92.1
888.29547	3.3
891.32971	2.9
919.32013	100.0
919.51288	7.5
920.32312	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.2
67.05494	0.1
68.21586	0.1
68.99806	0.3
69.03445	0.6
69.31379	0.5
69.31786	0.2
71.01347	0.2
71.04995	7.7
73.02918	0.6
75.04469	0.4
78.04736	0.1
79.05492	0.2
79.35411	0.1
81.03432	0.4
83.04981	2.0
85.02907	10.5
86.09062	0.1
87.04475	0.2
89.03914	2.2
91.05489	0.2
95.04978	0.5
97.02895	0.5
97.06508	0.1
99.04461	0.3
103.03950	0.2
103.05475	0.2
105.03387	0.2
107.04943	0.3
109.02860	0.4
111.00830	0.5
111.04446	1.7
113.06014	0.2
117.03384	6.4
117.05502	0.4
117.06983	0.1
121.02860	1.7
121.06540	0.2
123.04436	0.1
124.05115	0.1
125.05957	0.2
127.03909	0.6
129.05484	2.7
129.06955	0.1
131.04996	0.1
133.02899	0.3
134.03661	0.6
135.04442	0.4
137.02390	0.4
137.06013	0.3
140.16943	0.1
145.02847	22.0
146.03175	0.1
147.04378	0.5
147.06541	0.8
149.05981	2.6
151.03865	0.2
153.01831	2.3
153.02992	0.2
153.05447	0.6
157.05058	0.1
157.06465	0.3
161.05995	0.1
162.03249	0.2
163.03886	0.3
163.06042	0.4
165.01830	1.3
165.03099	0.1
167.07085	0.2
171.04367	0.2
171.06522	0.1
173.52197	0.1
175.03889	0.1
175.07634	0.1
177.05472	45.1
178.05869	0.3
179.07048	0.1
183.02969	0.5
185.05989	0.3
186.05515	0.4
187.07581	0.2
189.05434	0.2
195.06519	1.7
201.05453	0.1
201.07584	0.1
203.03310	0.1
203.07069	0.2
205.05070	0.2
213.05443	0.8
215.07039	0.2
217.08536	0.1
231.06529	0.6
233.08188	0.1
236.84685	0.1
239.09111	0.6
241.04947	0.5
243.06551	0.2
245.08177	0.1
257.10217	0.2
258.05258	0.8
259.06052	0.4
261.07553	0.6
269.04443	0.2
275.11325	0.2
286.04761	0.2
287.05496	100.0
288.05811	1.1
299.05286	0.2
301.07086	0.2
303.08566	0.3
305.10193	0.6
321.09689	1.4
323.11365	0.9
329.06589	0.3
339.10779	4.4
340.11014	0.1
379.07590	0.1
397.09125	0.1
415.10284	0.1
433.11481	0.4
485.16205	0.2
524.95331	0.1
607.14307	0.6
625.15460	0.3
753.19690	0.2
917.31836	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	918.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.9
67.05510	41.5
69.03421	4.8
69.07088	10.5
70.06572	1.2
71.08631	2.1
71.52712	1.9
73.02917	2.6
77.03945	1.5
79.05079	2.6
79.05502	32.5
81.03395	3.3
81.06595	2.6
81.07064	46.8
83.04976	3.3
83.08621	13.3
85.02901	13.2
85.06573	2.3
91.03986	7.3
91.05492	33.6
93.07053	43.3
95.04957	5.1
95.08617	30.5
97.02903	10.2
97.06525	5.1
97.10175	3.4
99.00831	16.6
99.04444	2.1
99.08083	1.8
103.05456	1.4
105.07037	23.8
107.04955	4.3
107.08602	25.4
109.02885	9.4
109.06528	2.7
109.10156	15.9
111.04440	1.5
111.08070	4.7
115.03944	3.4
117.07008	6.3
119.08590	14.4
121.06501	6.7
121.10154	17.7
123.08105	1.6
123.11726	6.5
127.03946	3.1
129.07001	1.3
131.08571	10.7
133.10136	39.4
135.08055	2.4
135.11714	13.0
137.05956	1.4
137.09648	2.3
139.07541	3.1
143.08582	3.5
145.04909	3.4
145.10120	6.6
147.11682	5.8
149.13281	6.1
151.11218	11.0
159.11691	6.2
161.09644	16.7
161.13246	3.9
163.06004	3.8
163.11163	1.7
163.14833	3.8
171.08070	4.3
173.13213	4.0
177.16408	1.5
179.10699	8.4
187.14775	2.9
189.09137	8.7
197.11667	2.3
207.10178	4.5
225.11311	8.0
227.12823	2.0
243.21075	5.9
261.22177	23.3
277.21512	1.6
281.13889	2.7
294.84030	1.3
299.14920	95.6
315.23273	2.4
317.24551	3.5
335.25824	100.0
336.25830	1.5
449.30548	2.2
467.31598	4.2
485.32626	4.2
513.35699	4.5
523.33777	1.6
531.36597	5.3
541.35254	20.4
559.36359	74.5
577.37292	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	917.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.1
67.05489	0.2
68.76543	0.1
68.99802	0.3
69.03426	0.7
69.07060	0.1
69.84568	0.1
70.06567	0.1
71.04998	7.5
71.51716	0.2
73.02914	0.5
75.04478	0.4
78.04715	0.1
79.05494	0.3
81.03430	0.4
83.04981	2.4
85.02909	9.2
87.04473	0.3
89.03914	2.7
91.03918	0.1
91.05475	0.4
93.07043	0.2
95.04976	0.5
97.02903	0.5
97.06531	0.2
99.04451	0.5
103.05466	0.2
105.03392	0.2
107.04965	0.2
109.02888	0.4
111.00816	0.4
111.04453	1.8
113.06030	0.2
117.03385	8.7
117.05492	0.3
117.07059	0.1
119.04922	0.3
121.02875	1.9
121.06528	0.1
125.05991	0.1
127.03943	0.8
129.05486	2.8
131.04947	0.2
133.02849	0.2
134.03656	0.6
135.04462	0.6
137.02361	0.4
137.06017	0.5
145.02852	23.5
146.03175	0.2
147.04395	0.8
147.06511	0.8
149.05995	3.1
151.03893	0.2
153.01842	2.2
153.05493	0.6
157.05020	0.3
157.06450	0.2
158.06094	0.1
161.05954	0.2
162.03146	0.2
163.03918	0.5
163.06041	0.3
165.01842	1.0
167.07050	0.4
171.04530	0.1
171.06462	0.3
175.03906	0.3
175.07530	0.1
177.05478	47.1
178.05855	0.4
179.07080	0.2
181.05067	0.2
181.86812	0.1
183.02943	0.6
183.06496	0.2
185.06032	0.3
186.05537	0.6
189.05518	0.2
191.07191	0.1
195.06511	0.9
197.06093	0.1
201.05522	0.3
201.07448	0.2
203.07085	0.3
205.04909	0.1
207.06551	0.5
213.05528	0.8
215.07024	0.2
217.08591	0.2
219.06473	0.2
231.06477	0.9
233.08002	0.2
239.09271	1.0
241.04900	0.7
242.05518	0.1
243.06447	0.2
257.10370	0.3
258.05228	0.6
259.06152	0.2
261.07642	0.4
269.04492	0.1
275.11301	0.3
286.04749	0.3
287.05508	100.0
288.05798	1.0
291.08820	0.1
293.12488	0.2
299.05472	0.2
301.07126	0.5
303.08551	0.5
305.10278	0.6
321.09683	1.8
323.11304	0.7
329.06573	0.4
339.10767	3.1
353.06412	0.2
607.14587	0.4
625.15417	0.4
774.79761	0.1
782.03168	0.1
946.34412	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	917.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03975	0.2
68.99794	0.3
69.03429	1.2
69.20483	1.4
71.01344	0.3
71.04997	8.9
73.02913	0.7
75.04497	0.4
79.05492	0.2
81.03426	0.7
83.04984	2.7
85.02909	17.9
87.04466	0.5
89.03914	1.7
91.05490	0.3
95.04984	0.5
97.02906	2.0
98.20713	0.3
99.04486	0.6
105.03428	0.2
106.04126	0.2
107.04955	0.2
109.02892	1.2
111.00803	0.4
111.04459	2.1
113.06003	0.1
117.03381	5.4
117.05465	0.4
119.04929	0.2
121.02868	2.2
121.06522	0.3
123.04491	0.2
125.02355	0.2
127.03913	1.5
129.04533	0.3
129.05481	3.2
129.07011	0.2
133.02870	0.5
134.03580	0.3
135.04443	0.5
137.02359	0.5
137.06021	0.7
145.02853	15.7
145.04950	1.3
147.04425	0.6
147.06503	1.2
149.05972	2.2
151.03896	0.2
153.01846	2.6
153.05489	0.5
157.05031	0.2
157.06395	0.3
161.05891	0.2
163.03949	0.3
163.06038	0.5
165.01866	1.2
171.06570	0.3
177.05478	38.3
183.02870	0.9
185.06059	0.2
186.05580	0.4
189.05478	0.2
189.07576	0.1
195.06555	2.3
207.06416	0.2
213.05472	0.9
213.07372	0.3
217.04924	0.1
231.06512	0.8
239.09154	0.9
241.05031	0.8
245.08080	0.2
246.21825	0.1
257.10165	0.3
258.05270	0.7
259.06067	0.5
259.09567	0.1
275.11270	0.4
286.04929	0.2
287.05511	100.0
288.05905	1.1
293.12427	0.2
299.05469	0.4
301.07065	0.2
305.10175	0.5
321.09698	0.4
323.11249	0.7
329.06470	0.2
339.10760	3.6
353.06628	0.2
431.09280	0.2
433.11215	0.3
485.16483	0.6
607.14520	0.2
625.15717	0.8
631.21753	0.4
869.59149	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	914.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	10.8
67.13093	0.4
69.03407	1.1
69.07072	6.2
70.96059	1.0
71.01315	0.5
71.04953	1.1
71.08636	18.7
73.02895	1.4
79.05498	7.0
81.03419	49.4
81.07056	13.9
83.04982	2.6
83.08622	16.6
85.02906	4.7
85.06524	0.8
85.07426	0.4
85.10185	11.2
87.07468	0.4
89.06004	1.2
91.03969	3.0
91.04996	0.6
91.05485	7.3
93.07051	4.2
94.29854	0.4
95.04970	14.8
95.08607	14.9
97.02905	3.5
97.06506	1.2
97.10175	5.0
98.18050	0.4
99.04428	0.5
99.08080	0.5
99.11716	0.9
103.07561	0.9
105.07029	7.1
107.04966	3.8
107.08603	2.3
109.02900	0.5
109.06499	1.8
109.10158	5.9
111.04404	1.3
111.08068	4.4
111.11728	1.0
117.07008	0.6
117.09106	0.4
119.04936	0.9
119.08585	7.8
121.06512	1.9
121.10136	3.6
123.04394	1.2
123.08078	1.0
123.11742	2.4
125.09587	0.9
127.03886	1.7
129.05554	0.4
129.07014	5.3
131.08578	4.6
133.06487	2.0
133.10121	3.3
135.08080	0.5
135.11638	0.8
137.09589	1.0
137.13239	0.7
142.07739	1.7
143.08527	0.8
145.04930	1.6
145.10098	1.6
147.04402	0.5
147.08072	3.2
147.11703	4.3
149.09634	3.4
157.10150	5.5
161.09578	0.7
163.06023	3.0
163.11166	0.8
165.12762	1.2
171.11642	0.5
175.11212	6.7
177.12825	0.5
193.12250	21.5
198.04987	0.4
205.12251	0.5
211.13278	1.7
223.13396	0.5
235.13329	1.7
237.14899	0.5
239.23717	1.6
249.14948	1.7
257.24838	1.5
259.13257	1.4
267.15921	100.0
268.16391	1.2
273.14783	1.1
283.12955	0.4
299.18716	0.5
301.14331	2.1
309.16983	3.7
313.27371	95.8
314.27689	0.9
319.15402	0.7
333.16849	0.6
375.18478	0.5
405.84326	0.5
429.21582	0.5
443.04733	0.4
505.38904	86.4
506.39331	1.9
518.43744	0.5
523.40051	4.0
547.40045	6.2
555.40723	0.9
563.40509	0.5
565.41046	0.9
589.40973	1.4
601.40759	2.9
613.40375	1.9
631.42255	2.1
649.43256	2.2
818.81903	0.5
819.89142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.6
67.05514	44.5
69.03435	3.6
69.06740	0.9
69.07078	11.0
69.52738	1.3
69.53152	4.1
71.01362	1.2
71.04990	2.1
71.08641	21.1
71.96163	0.7
73.02902	2.0
75.07965	0.7
79.05080	0.9
79.05508	14.1
81.03421	3.2
81.07067	24.9
83.04964	3.5
83.08160	1.0
83.08633	15.8
85.02916	19.7
85.06553	2.3
85.10191	11.6
87.04494	4.8
89.06054	1.2
91.03970	5.5
91.05042	0.6
91.05505	6.1
93.07050	7.2
95.04959	2.4
95.08619	20.5
97.02910	7.9
97.06554	0.8
97.10182	19.1
99.08066	1.0
103.03946	1.2
103.07534	1.4
105.07016	3.4
107.04955	1.8
107.08604	10.2
109.10171	41.3
111.04445	1.2
111.08095	2.4
112.32586	0.8
117.07040	2.8
119.08586	4.0
121.10133	3.1
123.08047	1.0
123.11713	3.2
125.09649	16.6
125.13288	0.9
127.03918	2.7
129.07001	0.8
131.08607	1.5
133.10114	1.9
135.11703	2.9
137.09659	1.0
137.13332	0.8
143.10701	4.6
145.04993	1.9
145.10147	3.5
147.11731	1.0
149.09641	1.1
149.13310	0.9
151.21796	0.8
153.12770	1.9
155.10675	2.1
157.10187	1.1
163.06047	1.8
163.11200	2.9
173.11758	9.6
178.90916	0.7
181.12292	1.8
191.10628	1.5
199.13322	11.0
209.11748	4.3
217.14433	1.1
223.13318	1.6
227.12788	10.4
229.14378	44.2
239.04883	0.8
239.23685	4.5
257.13773	1.4
257.24902	1.9
265.14386	1.1
267.15918	3.0
283.15472	5.1
297.16873	2.9
299.14682	1.0
301.16519	29.0
313.27408	100.0
314.27689	1.1
319.17633	1.1
335.25882	6.6
341.26883	1.9
437.36319	5.9
455.37369	17.2
463.21436	1.3
467.37378	30.7
489.35779	1.1
505.38660	1.1
521.38306	2.8
539.39551	17.2
557.39832	8.6
701.44098	1.6
807.43109	0.8
884.28229	1.1
916.30310	2.3
916.48395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.1
67.05509	15.9
69.03435	2.8
69.07072	9.4
71.01369	1.6
71.04994	3.7
71.08643	19.1
73.02913	2.4
79.05498	16.6
81.02985	1.5
81.03426	18.8
81.07066	22.0
83.01358	1.7
83.04974	6.9
83.08627	10.6
85.02911	11.8
85.06548	2.1
85.10188	13.5
89.06048	1.3
91.03947	4.7
91.05488	10.8
93.07044	17.6
95.04974	5.7
95.08614	21.9
97.02892	7.0
97.06543	7.3
97.10175	4.9
98.20753	2.9
99.04456	2.6
105.07040	4.8
107.04964	11.2
107.08601	9.0
109.06524	5.9
109.10174	9.2
111.04446	15.8
111.05196	0.9
111.08109	2.0
111.11696	1.1
113.06036	1.4
117.07044	5.7
119.08603	7.2
121.06534	4.7
121.10149	7.6
123.08073	5.0
123.11681	2.6
125.05983	4.9
127.03948	1.4
129.07037	1.4
131.08569	5.2
133.66035	0.9
135.08101	2.3
135.11699	10.3
137.09636	1.5
137.13234	1.9
139.07602	0.9
145.04971	2.3
145.06364	1.0
145.10129	15.7
147.08104	2.7
149.09636	1.8
153.12756	6.3
155.08536	2.6
163.06096	1.3
163.11197	24.7
167.14380	1.0
173.09669	6.2
181.12250	6.0
191.10675	9.7
195.13908	1.1
209.11748	9.4
223.13295	17.2
227.12755	5.6
239.23724	1.4
241.14362	23.0
257.24747	1.0
265.14337	11.1
283.15414	24.4
297.16901	2.3
313.27383	68.2
315.18054	43.3
336.17261	1.2
445.02682	1.0
457.24615	1.0
503.37436	13.8
521.38422	100.0
522.38647	1.5
535.39545	1.2
539.38947	2.2
553.41071	63.5
912.51208	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	909.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.4
69.03433	3.8
69.07067	0.7
70.06591	0.6
71.01366	0.7
71.04986	0.5
72.22551	0.3
73.02921	5.1
79.05498	3.1
81.03413	2.6
81.07057	4.0
83.04991	0.5
83.08605	0.8
85.02905	7.3
87.04489	1.0
88.36562	0.3
91.03961	3.8
91.05482	2.5
93.07032	3.3
95.04970	0.8
95.08618	2.4
97.02892	6.2
97.07704	0.3
99.04482	1.1
103.03969	0.4
105.07040	1.4
107.08584	1.4
109.02892	0.8
109.10136	1.4
109.25667	0.3
112.24722	0.3
115.03954	0.8
117.07075	0.4
119.08612	1.2
121.10162	1.8
123.11755	0.4
124.62855	0.3
127.03919	1.7
131.08557	0.4
133.10138	1.1
135.11737	0.9
145.04964	0.6
145.10173	0.4
147.11699	1.0
149.09703	0.3
149.13190	0.3
157.10143	0.4
160.07182	0.3
185.04266	0.9
193.12238	0.4
198.36441	0.3
203.05238	0.5
229.31264	0.4
243.08362	1.7
251.12663	0.5
307.15247	0.4
335.25919	1.1
347.09482	2.8
363.08862	0.5
365.10837	0.9
405.13718	6.3
405.18561	0.4
469.20547	4.7
487.20865	0.3
519.29254	6.8
519.36053	0.5
631.25861	3.5
681.34564	7.1
681.45166	0.5
747.42651	1.6
783.70752	0.3
909.48193	100.0
910.48737	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57229	0.4
67.05515	2.4
69.03439	3.1
69.07086	0.7
69.27994	2.4
69.28421	1.0
71.01376	0.8
73.02928	3.2
79.05503	2.5
81.03426	3.0
81.07072	3.0
83.04971	0.5
83.08628	0.9
85.02917	5.9
88.06915	0.4
91.03955	3.7
91.04358	0.4
91.05497	2.1
93.07049	2.2
95.04985	0.9
95.08640	2.0
97.02908	4.5
99.04495	1.2
101.02399	1.9
105.07052	1.4
107.08620	1.5
109.02894	0.7
119.08625	1.2
121.10190	0.9
127.03963	1.5
129.07013	0.8
131.08617	1.0
133.10156	0.9
147.11716	0.8
157.10193	1.1
173.13358	0.6
175.11217	0.6
177.86519	0.4
185.04263	0.8
193.12421	0.8
203.05409	0.8
228.34966	0.4
243.08470	1.7
335.26031	0.8
347.09711	2.6
363.09006	0.7
365.10635	1.0
405.13788	5.1
467.74548	0.5
469.20490	6.5
519.29272	3.9
631.25787	5.3
681.34760	3.7
747.42743	1.9
909.48230	100.0
910.48865	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	910.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.9
67.05511	14.0
69.03429	2.5
69.07071	5.6
70.95772	1.1
70.96110	0.9
71.04992	2.2
71.08636	14.9
73.02914	2.4
79.05500	9.5
81.03424	30.0
81.07062	18.0
83.04986	8.0
83.08623	14.7
85.02912	17.6
85.06541	1.2
85.10192	8.0
89.06055	0.5
90.51457	0.5
91.03965	6.1
91.05483	13.7
91.58828	0.5
93.07044	8.1
95.04971	12.1
95.08612	15.5
97.02901	6.4
97.06559	2.2
97.10175	5.4
99.04465	0.8
99.08115	1.0
103.07558	0.8
105.07037	11.7
107.04964	2.5
107.08601	3.5
109.06535	2.2
109.10157	5.0
111.04439	1.3
111.08091	4.7
111.11732	1.3
113.06029	1.6
115.03918	0.7
115.05482	0.8
117.07030	0.7
117.78151	0.5
118.99018	0.5
119.08590	9.9
119.09373	0.9
121.06542	0.7
121.10149	4.0
123.08070	1.2
123.11720	2.8
125.09685	0.7
127.03913	1.6
127.36828	0.5
129.07014	5.7
131.08591	5.4
133.06508	1.4
133.10144	5.9
137.09665	1.0
137.13229	1.3
142.07794	1.2
145.05000	2.0
145.10097	0.9
147.08052	2.0
147.11674	7.2
149.09654	2.7
157.10138	8.0
163.06032	2.6
163.11313	0.6
165.12802	1.9
171.76045	0.6
175.11223	7.8
185.33090	0.5
193.12263	21.2
211.13304	38.1
256.22342	0.6
267.15927	14.3
267.26843	0.9
285.16977	55.0
285.27820	1.0
286.17203	0.7
303.92703	0.6
331.85190	0.5
341.26169	0.9
341.27353	0.8
341.30518	53.9
533.42035	11.7
551.43103	100.0
552.43317	2.2
787.23901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.6
67.05512	8.3
67.16006	0.4
69.03398	1.4
69.07075	4.4
71.01353	0.4
71.04971	1.8
71.08638	11.9
71.52232	0.4
73.02925	2.4
79.05070	0.6
79.05497	8.0
81.02991	0.5
81.03429	5.9
81.07066	13.0
83.01345	4.3
83.04990	5.5
83.08173	0.5
83.08630	8.3
85.02916	11.4
85.06509	0.5
85.10183	7.3
89.06010	0.8
91.03966	5.8
91.05489	5.2
93.07050	11.7
95.04977	2.6
95.08613	10.3
97.02303	0.6
97.02898	6.5
97.06551	1.9
97.10170	3.7
99.04423	1.7
105.07050	3.9
107.04983	3.6
107.07973	0.6
107.08598	5.7
109.02897	0.5
109.06516	3.3
109.09470	0.5
109.10157	5.0
109.44224	0.4
111.04414	1.4
111.08051	1.0
111.11716	2.2
115.03913	0.6
117.07036	2.7
119.08591	3.2
121.06479	1.5
121.10151	4.5
123.08081	3.9
123.11697	1.4
125.05963	1.1
125.09634	0.8
127.03934	2.3
129.07036	0.9
131.08554	1.5
133.10129	1.2
135.08035	1.3
135.10852	0.5
135.11723	5.5
137.09608	0.8
137.13254	1.0
139.07524	0.6
143.08545	0.7
145.04933	2.6
145.10127	7.6
147.08008	1.0
153.12740	1.6
163.06033	3.7
163.09875	0.8
163.11189	13.9
173.09647	1.7
181.12250	1.7
191.10703	1.2
194.86633	0.4
209.11726	4.6
227.12871	2.5
262.85339	0.4
266.93451	0.4
277.96451	0.4
283.15424	100.0
341.30539	70.3
342.31052	1.0
406.46027	0.4
445.91153	0.4
549.41541	54.2
550.42157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.6521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13393	0.8
69.07069	1.8
69.14484	9.4
69.15997	0.8
71.04990	1.0
71.08639	32.1
73.02905	2.6
73.06557	5.3
79.05511	1.6
81.07050	1.7
85.10188	27.7
87.04474	19.6
88.60080	0.9
89.06038	100.0
92.79713	0.8
93.07037	0.8
95.05024	1.1
97.10159	0.8
99.11720	3.6
103.07594	6.3
107.07077	1.4
113.05999	1.6
113.13287	1.4
117.09140	7.2
130.08667	4.1
131.07074	9.5
133.08617	74.0
147.10217	0.9
155.17961	3.7
157.08568	1.0
159.10143	1.3
161.11714	2.7
170.06993	0.9
175.09657	5.2
177.11240	32.1
203.12665	1.1
213.22108	3.7
219.12204	2.5
221.13808	5.8
257.24789	4.0
265.16464	1.9
283.17542	3.0
297.35266	0.9
309.19055	2.2
549.40674	1.3
679.41187	5.3
891.61737	1.6
908.31787	1.6
908.65051	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	908.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	15.6
68.99791	1.3
69.03439	11.3
69.07080	53.9
71.05018	9.7
71.52499	1.7
73.02930	5.4
73.06552	3.9
75.54518	1.1
76.34566	1.2
79.05499	15.6
81.03436	13.7
81.07070	21.1
83.04984	4.1
83.08627	12.7
85.02927	18.1
85.06533	4.9
87.00835	9.0
87.04481	17.3
87.08118	1.2
89.06047	100.0
91.05491	3.7
93.07058	24.6
95.04976	2.9
95.08618	23.4
97.02916	8.8
97.06551	24.1
97.10191	2.4
99.04475	8.1
101.05999	2.3
103.03943	1.9
103.07584	2.5
105.01868	4.1
105.07035	2.4
107.07088	2.0
107.08614	28.9
109.02914	9.5
109.10183	14.3
111.08107	7.1
111.11747	7.1
113.06017	1.4
115.07591	2.1
117.01919	1.6
117.09131	3.1
119.08601	2.6
121.10152	4.8
123.11768	1.6
125.13304	1.2
127.03947	11.3
130.08714	1.3
131.07047	7.3
133.08626	77.0
135.11713	61.9
136.06194	3.1
136.12018	1.3
139.11220	5.2
145.04999	6.3
145.10121	1.3
147.04462	1.5
151.07635	2.7
153.12776	58.3
157.12286	3.6
159.02876	4.2
159.11755	1.4
161.05949	1.1
161.11841	1.5
161.13187	1.4
167.07019	1.4
171.13820	36.9
175.09763	7.1
177.11255	39.8
179.12929	1.3
183.13857	2.1
189.03891	1.2
191.10735	1.4
197.15402	95.8
202.21675	3.3
207.06598	1.3
211.16943	2.2
213.14922	3.1
215.16438	17.3
217.19566	1.1
219.12274	3.0
221.13876	10.4
223.15341	1.5
229.17938	5.0
231.05035	1.3
241.18028	2.6
255.19615	7.4
259.19104	4.4
265.16495	2.9
273.20599	4.1
283.17615	4.4
286.04929	1.7
301.07172	4.0
303.21744	1.5
309.19040	3.8
327.20197	3.9
329.23230	2.0
345.09674	1.7
347.24194	2.9
353.21619	2.6
371.22772	4.1
391.26947	1.4
397.24313	3.9
398.39682	1.2
415.20120	2.4
415.25421	29.3
455.28760	6.8
523.34644	2.7
567.37451	6.9
625.41895	9.9
643.42694	10.1
908.50562	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	907.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19057	0.7
67.05504	2.7
69.07079	1.6
79.05500	1.4
81.03423	2.3
81.07059	2.7
85.02931	1.1
91.05493	2.1
93.07051	1.6
95.04962	1.1
95.08611	1.3
98.21548	1.6
105.07046	2.1
107.08601	1.0
109.10136	0.9
112.55596	0.8
116.44945	0.9
133.10199	1.5
164.50137	0.8
174.08656	0.7
211.47614	0.8
213.37988	0.8
281.66602	0.8
313.27493	2.2
335.25970	1.0
354.77133	0.9
380.21201	0.9
389.18524	1.0
393.21652	0.8
403.19608	1.3
405.20874	2.3
407.22461	1.0
421.24075	2.2
421.44031	0.9
429.20929	1.5
433.24118	1.6
447.21503	1.1
454.29172	0.9
459.21881	1.5
460.23105	0.9
465.22876	0.9
476.25748	3.4
485.24179	1.1
489.23364	1.2
492.25388	2.0
493.25720	1.4
503.24268	4.0
515.24689	1.6
519.24207	1.5
521.25342	4.6
531.24030	5.0
534.21271	1.0
535.21942	1.3
546.39355	1.9
547.38800	1.4
548.39612	1.4
549.23248	1.7
563.22302	1.4
564.21790	1.2
575.20703	1.0
576.21564	1.2
577.22375	3.6
578.23438	1.5
591.24585	1.5
592.24615	6.8
593.25421	5.0
604.25354	1.6
605.25220	1.1
619.23389	3.7
621.27881	1.0
637.28107	2.0
664.26794	1.4
665.27728	7.7
666.28918	1.2
691.26050	3.3
759.24652	2.5
847.29681	7.9
874.77063	0.9
875.30933	1.5
907.31824	100.0
908.31952	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	907.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.4
67.05518	3.0
69.03441	3.8
69.07076	0.7
70.36930	0.3
71.01367	0.5
71.05003	0.5
71.52282	0.3
73.02932	4.1
74.29220	0.3
79.05505	2.4
81.03416	1.9
81.07069	3.2
83.05006	0.5
83.08627	0.6
85.02919	6.0
87.04493	0.5
91.03973	3.6
91.05491	1.9
93.07048	2.8
95.04998	0.5
95.08633	2.2
97.02904	5.6
99.04487	1.0
101.02425	1.7
103.03949	0.4
105.07060	0.8
107.04983	0.4
107.08638	1.2
107.91129	0.3
109.02936	1.1
109.10197	0.9
110.71836	0.3
114.40144	0.3
115.03983	0.4
119.08617	0.8
121.10174	1.3
127.03928	2.4
129.05562	0.3
131.08612	0.6
133.10222	0.5
135.11758	0.9
140.03877	0.3
144.51686	0.3
145.04916	0.5
145.10165	0.8
147.08148	0.3
147.11655	0.4
154.99146	0.3
162.30919	0.3
163.11247	0.7
180.55925	0.3
185.04288	0.6
203.05321	0.7
243.08426	1.6
249.11153	0.3
259.91321	0.3
335.25937	1.0
336.26434	0.4
347.09659	2.0
363.09125	0.4
365.10742	1.1
372.88022	0.4
405.13797	4.7
467.19073	3.8
519.29321	5.1
548.39972	0.5
629.24213	2.6
681.34735	5.8
745.41235	1.0
907.46716	100.0
908.47174	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05530	2.5
69.03435	3.1
69.07074	0.8
71.01344	0.4
71.52442	0.5
73.02928	3.6
79.05516	2.4
81.03441	2.3
81.07072	3.0
83.04996	0.6
83.08630	0.7
84.58868	0.4
85.02929	4.6
87.04473	0.6
91.03970	3.5
91.05492	1.1
93.07056	2.8
95.04983	0.6
95.08638	2.2
97.02905	5.2
99.04476	0.9
101.02387	1.4
105.07068	1.1
107.04981	0.6
107.08627	1.4
109.02908	1.2
109.06524	0.4
109.10173	1.1
117.07066	0.4
119.08627	0.8
121.10190	1.6
127.03972	1.3
133.10091	0.4
135.11732	1.3
137.33791	0.3
145.04918	0.4
145.10168	0.9
147.11736	0.7
154.50346	0.4
161.96469	0.4
163.11250	0.8
185.04333	0.9
203.05394	0.5
209.11850	0.5
243.08470	1.9
283.15521	0.6
290.65482	0.4
335.25809	0.7
347.09744	1.9
365.10748	0.6
405.13657	4.5
467.18942	6.1
519.29395	4.0
629.24286	6.1
681.34821	2.8
745.41650	1.1
907.46790	100.0
908.47089	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	905.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.1
67.05505	0.4
68.99791	0.5
69.03084	0.1
69.03433	1.1
69.07072	0.7
69.69531	0.3
70.44276	0.1
71.04977	0.3
73.02917	0.2
79.05141	0.1
79.05503	0.6
81.03425	1.6
81.06654	0.1
81.07065	1.0
83.04994	0.2
83.08617	0.5
85.02908	1.5
85.06533	0.2
86.05274	0.1
87.00845	0.4
91.05473	0.5
92.06217	0.1
93.07047	1.1
95.04951	0.3
95.08607	1.9
97.02894	1.4
97.06564	0.1
97.10207	0.3
98.20760	0.1
99.04468	0.5
99.08101	0.5
100.11246	0.1
105.01881	0.1
105.07028	0.6
107.04975	0.1
107.07878	0.1
107.08597	2.5
109.02127	0.1
109.02885	3.1
109.10161	0.6
111.04445	0.3
111.08067	0.2
118.04116	0.3
119.04929	0.2
119.08545	0.2
121.02882	0.2
121.10149	3.7
123.04446	0.2
123.08111	0.1
125.02348	0.3
125.09605	0.2
127.03923	3.3
129.01859	0.2
129.05455	0.1
129.06952	0.1
133.10124	0.2
135.04478	0.1
135.11691	0.8
137.02324	0.1
137.05992	0.1
137.13257	0.3
139.03888	0.1
140.01006	0.1
141.01823	0.4
145.02768	0.1
145.04959	0.6
147.02875	0.2
147.04424	0.2
149.05968	0.1
149.13268	0.2
151.03876	0.1
153.01830	0.1
157.10095	0.1
159.02873	0.3
159.04425	0.1
159.11563	0.1
160.05249	0.1
161.05989	0.1
163.03900	0.1
165.05539	0.1
167.06995	0.1
168.00546	1.4
169.01305	0.2
169.04944	0.1
171.02892	0.1
175.03848	0.1
177.05452	0.3
177.16391	2.9
179.03461	0.1
181.05020	0.1
183.02959	0.1
183.94455	0.1
184.05235	0.1
186.01588	0.8
187.03937	0.1
193.04950	0.1
195.02876	0.2
195.17482	0.3
199.05844	0.1
201.03911	0.1
207.06631	0.1
212.04706	0.2
213.03905	0.6
213.05524	0.1
217.04968	0.2
229.04980	0.2
231.04985	0.9
235.06017	0.2
240.04150	0.3
241.04869	0.4
255.06699	0.5
257.04419	0.2
258.05243	0.9
268.03662	0.3
269.04468	1.0
270.04953	0.1
273.05804	0.3
283.05978	0.2
285.03934	3.2
286.04724	45.3
287.05215	0.8
299.05539	0.1
300.06305	0.2
301.07068	100.0
302.07419	1.3
303.07541	0.1
313.07062	0.4
321.06055	0.2
325.06955	0.1
331.08179	0.2
339.07050	0.6
343.08160	0.5
357.08096	0.7
375.09216	0.3
393.09921	0.1
409.08987	0.2
463.52383	0.1
513.11096	0.1
531.11237	0.2
549.12244	0.3
591.13031	0.3
621.12439	0.3
638.25745	0.1
639.13159	0.2
657.14490	0.6
675.15204	0.4
693.16638	0.8
777.81396	0.1
905.37732	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	904.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	2.1
67.05511	37.6
67.59212	0.3
69.03437	4.3
69.07074	8.8
69.91579	0.3
71.01343	0.4
71.04995	3.7
73.02922	2.8
77.03921	0.5
79.05500	29.6
81.03425	42.0
81.07063	40.1
83.04989	10.4
83.05465	0.7
83.08626	17.3
85.02911	24.2
85.06543	2.2
87.04460	0.6
91.03966	6.7
91.05489	26.8
93.07052	29.5
95.04979	17.0
95.08615	24.9
97.02900	7.5
97.06536	4.0
97.10176	4.0
99.04468	1.1
99.08112	1.2
103.05486	0.5
105.04508	0.7
105.07040	19.4
107.04969	4.3
107.08604	13.9
109.02877	0.4
109.06526	3.5
109.10169	9.6
109.10927	0.5
111.04449	1.3
111.08093	6.7
113.06024	2.2
115.03963	0.5
115.05481	1.3
117.05518	0.3
117.07019	3.8
119.04993	0.5
119.08591	17.3
121.06519	1.1
121.10153	15.3
123.08079	2.3
123.11724	3.8
125.09660	1.0
127.03928	2.3
127.07563	0.4
127.08427	0.4
128.06204	0.5
129.07018	6.7
131.08583	12.7
133.06490	1.5
133.10146	11.6
135.08090	0.4
135.11693	6.0
137.09612	1.7
137.13280	0.9
139.11200	0.4
142.07816	1.9
143.08609	0.4
144.06627	0.4
145.04973	2.5
145.10136	5.1
147.08093	2.1
147.11693	12.3
149.09610	4.1
149.13283	3.1
151.11253	0.6
155.08594	0.6
157.10149	10.3
159.11697	2.9
161.13261	2.0
163.06052	3.2
163.11182	0.7
163.14856	1.5
165.12779	2.1
171.11748	0.9
173.09721	0.4
173.13274	2.5
175.11200	9.8
175.14819	1.2
177.16420	0.8
179.14371	0.3
181.12175	0.3
185.08057	0.3
185.13293	0.8
187.14870	1.3
189.11324	0.5
193.12265	31.9
195.11772	0.3
197.13144	0.5
199.14876	0.6
201.16469	0.5
211.13307	54.9
212.13622	0.5
216.18086	0.4
219.17403	0.4
224.13210	0.3
225.16423	0.3
227.12843	1.1
233.22437	0.4
243.21138	2.1
249.14920	0.4
250.57251	0.3
261.22171	8.0
267.15939	12.3
279.23267	0.7
283.15582	0.9
285.16986	63.7
286.17233	0.6
299.23743	0.4
301.25287	0.9
317.21533	0.3
317.24762	1.6
333.24155	0.6
335.25827	54.5
336.26251	0.7
359.26010	0.5
417.31622	1.0
421.25354	0.4
435.32397	2.1
453.33707	2.4
471.34888	1.6
509.36526	0.5
527.37366	14.2
528.37665	0.4
542.22284	0.3
545.38416	100.0
546.38788	1.3
563.39337	0.8
570.74622	0.3
689.43024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94447	0.2
65.00068	0.2
65.03915	0.2
67.05489	0.2
68.99832	0.3
69.03433	1.2
71.05000	13.1
71.51514	0.3
73.02922	1.3
75.04459	0.7
81.03397	0.4
82.74397	0.2
83.04987	2.7
83.21355	0.2
85.02913	17.7
87.04437	0.3
91.03937	0.7
95.04983	1.4
97.02891	1.3
97.06548	0.3
99.04432	0.5
105.03371	0.2
109.02874	0.4
111.04452	2.4
113.06015	0.2
115.03909	0.3
117.05479	0.5
121.02007	0.3
121.02873	5.9
121.06470	0.4
123.03614	0.4
123.04446	6.5
127.03958	1.8
129.05487	4.9
131.04948	0.2
133.02751	0.2
133.66513	0.2
135.04404	0.2
137.02379	0.2
141.05472	0.2
145.02802	0.4
145.04904	0.2
147.04443	1.6
147.06503	1.9
153.01820	1.0
153.05411	0.6
154.07294	0.2
156.72681	0.2
157.04994	0.4
163.06004	0.7
165.01790	0.8
165.05493	1.4
167.06998	0.2
171.06537	0.3
175.03992	0.2
177.05527	0.2
183.02930	0.5
185.05858	0.2
187.03880	0.3
201.07567	0.4
205.01326	0.4
213.05482	0.6
213.07457	0.2
215.03329	0.7
217.01312	0.2
222.82338	0.2
231.06422	0.2
239.03418	0.5
239.09219	0.9
241.05063	0.4
243.03027	0.3
247.07617	0.3
252.39160	0.2
253.04968	0.3
255.08775	0.3
257.04495	0.9
258.05331	0.5
269.04428	0.6
271.06046	0.6
273.09448	0.2
283.06024	0.7
287.05524	58.3
288.05841	0.5
289.03452	0.8
293.12445	0.2
299.05496	1.2
303.05084	1.2
311.05588	1.2
312.99918	0.4
313.03421	5.5
313.07083	3.3
325.06857	0.4
329.06564	3.0
331.04465	4.7
339.04959	2.9
339.08685	0.3
345.07321	0.3
349.06903	0.8
351.08496	0.3
353.06592	0.6
357.06104	0.5
361.07135	0.4
363.08643	0.5
365.06958	0.2
379.08151	0.8
391.08154	21.4
392.08777	0.7
397.09064	1.0
405.09595	0.7
415.10440	2.2
431.09775	0.7
433.09186	15.6
434.09531	0.2
449.11081	0.9
451.10284	100.0
452.10532	1.6
493.11420	0.7
579.14691	0.4
595.15814	0.2
597.16199	0.5
613.15625	1.0
662.20367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27883	0.2
84.90559	0.2
121.02949	0.2
127.64367	0.2
149.91695	0.2
207.09262	0.2
209.10744	0.3
210.11668	0.3
221.10786	0.3
223.12383	0.6
224.13162	0.3
225.14090	0.2
235.12257	0.3
237.13956	0.5
239.15639	0.3
251.15636	0.4
271.25458	0.2
298.04865	0.3
299.14423	0.3
312.14954	0.2
313.07092	0.3
377.17917	0.6
383.17041	0.2
389.17969	0.5
390.18954	0.4
391.19257	1.7
392.19928	1.1
393.20834	0.2
398.15952	0.2
399.16156	0.3
400.16934	0.4
401.17657	0.5
402.18378	0.3
403.19452	0.9
404.20551	0.9
405.20816	1.8
406.21744	1.0
407.22626	0.4
413.18079	0.7
414.18842	0.7
415.19583	1.3
416.20111	0.7
417.21326	1.3
418.21649	0.6
419.22427	1.0
420.23215	1.0
421.23917	4.6
427.19586	0.7
428.20206	0.9
429.21057	3.6
430.22034	1.0
431.18607	1.0
431.22739	1.1
433.24023	2.5
434.24820	0.4
435.18350	0.3
441.21729	0.3
442.22040	0.4
443.23178	1.9
444.23883	1.7
445.19763	3.0
446.20740	0.5
447.21939	0.9
455.18921	0.5
456.19452	0.3
457.19388	0.4
457.24060	1.0
458.25461	1.7
459.21664	6.3
460.22614	3.9
461.23471	3.6
463.21494	0.3
465.22058	0.4
469.20169	0.5
470.20825	0.4
471.21744	0.9
472.22693	2.0
473.23697	2.6
474.24289	1.1
476.26257	1.7
477.23013	0.3
478.23749	0.3
479.24670	1.4
483.22226	0.6
485.23575	4.7
486.24118	1.0
486.30673	0.3
487.20334	0.4
487.25134	1.3
491.24487	0.5
492.24991	0.4
493.26312	0.9
496.22952	0.3
497.23767	1.1
498.24164	0.4
499.21140	0.4
500.22345	0.4
501.23615	0.3
503.24347	2.0
505.22800	0.4
506.26593	0.4
507.27988	0.5
508.28406	1.8
510.16931	0.3
513.23029	1.0
517.26373	2.3
518.23474	0.3
519.24359	0.4
531.24133	0.8
533.25793	0.7
535.27490	0.4
539.21667	0.4
540.21503	0.3
545.25531	20.3
546.26141	1.0
547.27191	1.9
551.26813	0.4
565.28357	0.8
573.25055	3.4
595.23334	0.3
599.25195	0.5
601.26178	0.7
605.27661	14.4
609.24017	0.3
615.27649	0.4
627.21948	0.3
628.22083	0.3
631.24005	0.3
637.22522	0.3
642.22186	0.3
643.23694	0.6
644.23059	0.3
645.25220	0.6
655.20660	0.3
656.22003	0.6
657.24078	1.2
658.24817	0.3
659.26624	0.7
660.27222	0.3
667.25317	0.5
669.21997	0.8
670.23572	1.0
671.23499	1.7
672.24042	0.6
673.25140	0.5
683.23590	0.7
684.24286	0.5
685.24573	2.7
686.25323	1.6
687.25708	0.9
688.26593	0.4
695.25061	0.3
697.23438	0.3
698.25433	0.4
699.26135	3.4
700.26849	2.7
701.27924	1.6
703.32947	0.6
712.26068	0.4
713.26813	0.8
714.27203	0.3
715.28448	1.2
725.26044	0.3
727.24854	0.5
728.27429	0.2
729.26617	0.7
730.26630	0.3
731.28418	0.4
742.25610	0.3
743.25055	1.8
744.26318	0.7
745.26501	1.9
746.30969	1.4
747.31641	0.3
757.27063	0.9
758.27557	0.8
759.28973	1.1
769.26306	0.3
771.27747	1.2
772.29114	0.4
773.29962	0.7
774.30786	0.8
775.31421	0.7
785.28888	0.7
786.30719	1.7
787.31116	2.9
802.32648	1.1
803.29889	0.7
804.32648	0.3
813.28760	0.4
815.28406	0.3
817.31647	0.5
828.32233	0.3
830.29340	0.6
831.30255	0.4
845.31793	13.8
846.32532	1.5
873.31293	20.0
874.31805	0.7
877.34552	0.7
890.32129	0.3
905.33942	100.0
906.34106	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	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99113	1.3
65.03944	2.2
67.05507	46.7
69.03416	3.4
69.07063	16.9
69.39941	5.7
69.40359	3.8
71.04980	2.1
73.02913	2.7
79.05491	33.3
81.03412	5.0
81.07056	93.7
83.04961	5.4
83.08627	10.5
85.02905	10.2
85.06534	3.8
87.04462	1.8
91.03944	7.3
91.05486	25.4
93.06490	2.1
93.07044	34.9
94.07367	1.5
95.04954	5.7
95.08607	39.9
97.02876	6.6
97.06528	6.9
97.10175	2.6
98.20737	1.5
99.04465	2.5
99.08093	2.3
100.63222	1.3
105.07027	35.2
107.04934	1.3
107.08588	23.4
109.06521	5.3
109.10139	15.0
111.08110	1.5
117.07006	4.3
119.08582	28.3
121.10136	29.3
123.08074	3.1
123.11707	27.6
124.01332	1.3
125.09560	1.2
127.03919	4.1
127.07554	3.2
129.06956	1.9
131.08588	8.5
133.10127	10.1
135.11705	9.1
137.13271	2.1
141.09105	1.5
145.04950	3.3
145.10104	7.1
145.26474	1.5
146.30844	1.6
147.11693	60.5
149.13232	5.3
157.10130	3.6
159.11652	3.8
161.13210	3.0
163.05998	4.9
163.11182	1.6
163.14832	2.7
165.12761	22.8
173.13263	4.9
175.11203	2.9
175.14760	2.5
177.16435	2.0
183.13789	3.5
184.07405	1.4
187.14716	1.7
193.12253	2.7
227.12677	1.5
229.14317	5.7
243.21082	6.5
261.22119	22.1
262.22839	1.6
267.15927	74.2
279.23276	1.9
283.15372	5.8
284.15765	3.0
285.16971	100.0
307.08752	1.3
317.24802	3.2
335.25793	91.2
336.25970	2.7
337.26862	1.6
347.08899	1.4
353.26785	5.4
371.92609	1.3
432.45316	1.6
442.64185	1.3
469.33020	1.3
471.33865	2.4
527.37317	9.6
543.36859	2.2
544.37054	2.0
545.38348	89.2
546.38300	2.1
563.39429	8.4
583.37671	1.7
590.08789	1.5
904.31311	4.2
904.48517	6.7
905.34412	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	904.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.7
65.12910	0.2
67.05508	29.1
69.03431	3.1
69.07074	6.7
70.96234	0.4
71.01334	0.4
71.05001	2.3
73.02920	1.9
77.03948	0.2
79.05497	23.9
81.03423	26.3
81.07059	32.9
83.04987	6.8
83.08241	0.2
83.08624	11.7
85.02911	16.9
85.06548	1.0
87.04471	0.4
91.03962	4.0
91.05484	20.7
93.07047	24.4
95.04974	11.8
95.08610	21.5
95.09234	0.5
97.02895	5.4
97.06538	2.1
97.10175	3.0
99.04463	0.8
99.08099	0.7
103.05495	0.4
105.04535	0.8
105.07037	14.2
107.04974	2.8
107.08600	12.5
109.02906	0.4
109.06525	2.3
109.10159	8.3
111.04456	1.5
111.07371	0.4
111.08086	5.3
113.06035	1.2
113.09694	0.3
115.03949	0.3
115.05475	0.9
117.07014	3.2
119.04936	0.3
119.08588	13.6
121.06532	1.0
121.10147	12.0
123.08078	1.3
123.11712	3.3
125.09635	0.9
127.03919	1.7
127.07632	0.3
128.06242	0.6
129.07010	5.5
131.08574	8.6
133.06506	1.2
133.10138	7.6
135.08066	0.3
135.11693	5.6
137.09633	1.5
137.13245	0.5
139.11281	0.3
141.06985	0.3
142.07802	1.1
143.08607	0.7
144.06645	0.3
145.04979	2.0
145.10126	4.3
147.08055	1.4
147.11691	9.0
149.09625	2.5
149.13261	2.7
151.11208	0.4
153.12840	0.3
155.08537	0.3
157.10124	6.5
159.11702	2.1
161.13268	1.6
163.06053	1.9
163.11209	0.5
163.14906	1.3
165.12761	1.8
169.10124	0.3
171.11696	0.4
173.13277	1.9
175.11195	6.3
175.14822	1.0
177.16377	0.4
179.14366	0.3
183.11745	0.4
185.13231	0.4
187.14780	1.3
189.11266	0.5
193.12253	19.2
195.11844	0.3
199.14909	0.3
201.16380	0.5
211.13293	26.5
212.13635	0.3
227.12798	0.9
229.14420	0.4
233.22690	0.3
243.21106	2.3
249.14862	0.5
259.20575	0.5
261.22150	6.8
267.15918	9.1
269.17410	0.3
279.23196	0.5
283.15347	0.4
285.16974	39.8
299.23660	0.4
301.25269	0.6
303.23120	0.3
317.24741	1.9
324.42358	0.2
327.23425	0.3
333.24017	0.3
335.25809	60.6
336.26157	1.0
337.71780	0.3
389.32211	0.3
417.31534	0.4
435.32755	1.5
453.33771	1.5
471.34460	0.7
491.34808	0.3
509.36432	0.8
527.37372	13.2
528.37903	0.3
545.38391	100.0
546.38831	1.8
563.39459	0.7
660.65570	0.3
689.42029	0.7
815.01672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99113	1.3
65.03944	2.2
67.05507	46.7
69.03416	3.4
69.07063	16.9
69.39941	5.7
69.40359	3.8
71.04980	2.1
73.02913	2.7
79.05491	33.3
81.03412	5.0
81.07056	93.7
83.04961	5.4
83.08627	10.5
85.02905	10.2
85.06534	3.8
87.04462	1.8
91.03944	7.3
91.05486	25.4
93.06490	2.1
93.07044	34.9
94.07367	1.5
95.04954	5.7
95.08607	39.9
97.02876	6.6
97.06528	6.9
97.10175	2.6
98.20737	1.5
99.04465	2.5
99.08093	2.3
100.63222	1.3
105.07027	35.2
107.04934	1.3
107.08588	23.4
109.06521	5.3
109.10139	15.0
111.08110	1.5
117.07006	4.3
119.08582	28.3
121.10136	29.3
123.08074	3.1
123.11707	27.6
124.01332	1.3
125.09560	1.2
127.03919	4.1
127.07554	3.2
129.06956	1.9
131.08588	8.5
133.10127	10.1
135.11705	9.1
137.13271	2.1
141.09105	1.5
145.04950	3.3
145.10104	7.1
145.26474	1.5
146.30844	1.6
147.11693	60.5
149.13232	5.3
157.10130	3.6
159.11652	3.8
161.13210	3.0
163.05998	4.9
163.11182	1.6
163.14832	2.7
165.12761	22.8
173.13263	4.9
175.11203	2.9
175.14760	2.5
177.16435	2.0
183.13789	3.5
184.07405	1.4
187.14716	1.7
193.12253	2.7
227.12677	1.5
229.14317	5.7
243.21082	6.5
261.22119	22.1
262.22839	1.6
267.15927	74.2
279.23276	1.9
283.15372	5.8
284.15765	3.0
285.16971	100.0
307.08752	1.3
317.24802	3.2
335.25793	91.2
336.25970	2.7
337.26862	1.6
347.08899	1.4
353.26785	5.4
371.92609	1.3
432.45316	1.6
442.64185	1.3
469.33020	1.3
471.33865	2.4
527.37317	9.6
543.36859	2.2
544.37054	2.0
545.38348	89.2
546.38300	2.1
563.39429	8.4
583.37671	1.7
590.08789	1.5
904.31311	4.2
904.48517	6.7
905.34412	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	903.2558
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02384	0.2
65.03938	0.2
68.99809	0.3
69.03087	0.1
69.03435	1.8
69.56067	0.1
70.61980	0.1
70.62315	0.2
71.01369	0.2
71.04997	4.8
73.02921	0.4
75.04477	0.3
78.04700	0.1
79.83620	0.1
81.03424	0.3
83.04987	0.8
85.02909	6.8
87.04469	0.6
89.03919	2.6
91.05478	0.3
93.24902	0.1
95.04979	0.2
97.02894	2.6
97.06492	0.2
99.04457	0.5
103.05509	0.1
105.03381	0.2
105.07025	0.1
106.04141	0.1
107.04991	0.3
109.02895	0.3
111.00785	0.5
111.04438	0.7
113.06005	0.1
115.03939	1.1
115.05363	0.1
117.03384	8.1
117.05500	0.2
119.04962	0.2
121.02869	2.0
121.03750	0.2
121.06499	0.1
123.04431	0.2
125.02422	0.2
127.03933	0.7
129.04575	0.1
129.05482	2.0
129.06996	0.2
131.04932	0.1
133.02893	0.5
133.04961	0.4
134.03625	0.7
135.04405	0.4
135.08116	0.1
137.02374	0.5
137.06006	0.4
139.03885	0.2
145.02852	25.0
146.03212	0.2
147.04439	0.7
147.06516	0.5
149.05994	3.4
151.03911	0.2
151.07503	0.1
153.00603	0.1
153.01828	2.4
157.06541	0.4
158.06027	0.2
161.06007	0.2
162.03165	0.2
162.85904	0.1
163.03929	0.4
163.07707	0.1
165.01825	1.4
167.03409	0.4
167.04721	0.1
169.06570	0.1
171.04404	0.2
171.06514	0.3
175.04161	0.1
177.05478	53.0
178.05852	0.4
179.06949	0.2
183.02881	0.7
185.05974	0.5
186.05493	0.5
189.05469	0.3
189.09267	0.1
195.06532	2.1
197.06023	0.2
199.07442	0.2
203.07080	0.2
205.05000	0.2
207.06499	0.3
213.05513	0.9
215.07059	0.2
216.11909	0.1
222.33939	0.1
225.07544	0.5
231.06462	0.7
233.08069	0.1
241.04944	0.7
243.08694	0.2
245.04671	0.1
245.08141	0.2
255.06235	0.1
258.05316	0.8
259.06067	0.4
259.09686	0.1
261.07294	0.5
261.09793	0.4
269.04419	0.2
273.07422	0.2
286.04715	0.3
287.05508	100.0
288.05801	0.9
291.08603	0.6
298.37341	0.1
299.05563	0.3
301.07068	0.4
303.08685	0.4
305.10007	0.5
309.09805	0.5
317.06421	0.2
321.09732	1.1
323.11304	0.7
329.06543	0.5
339.10803	3.9
340.85138	0.1
395.07703	0.1
419.09668	0.2
485.16550	0.2
568.01581	0.1
607.14636	0.6
611.13507	0.1
625.15088	0.2
699.72998	0.1
753.20471	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	903.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02379	0.3
68.99808	0.3
69.03431	2.4
71.01380	0.1
71.05000	4.7
73.02911	0.3
75.04494	0.2
78.04696	0.2
79.05489	0.2
81.03422	0.7
83.04984	1.1
85.02911	7.0
87.04472	0.8
89.03920	3.2
89.04353	0.1
89.04479	0.1
91.05480	0.4
93.07032	0.2
95.04981	0.2
97.02906	2.3
97.06514	0.2
98.20711	0.2
99.04456	0.4
101.02409	0.2
103.05495	0.2
105.03376	0.2
106.04153	0.3
107.04949	0.5
109.02888	0.6
109.06526	0.2
111.00813	0.6
111.04456	0.9
115.03954	1.3
117.03388	9.5
119.04965	0.4
121.02888	1.7
121.06490	0.2
123.04422	0.3
127.03943	0.7
129.05481	1.6
129.06937	0.2
131.04961	0.2
133.02841	0.4
133.04965	0.5
133.06526	0.2
134.03654	0.6
135.04477	0.6
137.02347	0.5
137.05989	0.4
139.03909	0.1
145.02856	25.6
146.03159	0.3
147.04413	1.3
147.06516	0.5
149.04489	0.2
149.05980	3.6
151.03905	0.3
153.01849	2.2
153.05505	0.2
157.05035	0.2
157.06491	0.3
161.04639	0.1
161.06003	0.3
163.03908	0.3
165.01843	1.2
167.07042	0.3
171.04427	0.2
171.06523	0.3
175.03819	0.1
175.07524	0.2
177.05481	48.7
178.05832	0.4
179.07056	0.2
183.02890	0.5
185.05934	0.4
186.05525	0.6
189.05505	0.3
191.07089	0.2
195.06540	0.7
197.05959	0.2
199.05916	0.1
203.07114	0.2
205.05028	0.2
207.06573	0.5
213.05540	0.9
215.07066	0.3
217.08601	0.1
219.06541	0.2
225.07573	0.2
229.04837	0.2
231.06535	0.7
233.08191	0.1
241.04996	0.7
243.06465	0.3
243.08627	0.2
258.05228	0.8
259.06021	0.3
261.07562	0.5
261.09784	0.3
269.04413	0.2
273.07629	0.3
275.84348	0.1
279.10962	0.2
286.04730	0.6
287.05515	100.0
288.05777	1.6
291.08572	0.2
301.07004	1.0
303.05234	0.2
303.08588	0.3
305.10104	0.2
309.09644	0.1
321.09723	1.5
323.11227	0.5
327.04874	0.2
329.06528	0.5
339.10797	3.4
395.07730	0.3
419.10019	0.2
423.07028	0.2
441.07651	0.2
607.14294	0.4
611.13629	0.4
621.83972	0.2
625.15375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.1
67.05510	30.5
69.03407	1.8
69.07076	7.4
70.87546	0.5
71.04960	1.2
71.08625	0.5
73.02876	1.3
77.60236	0.5
79.05499	24.0
80.03618	0.4
81.03419	3.2
81.07064	28.9
83.04983	2.5
83.08631	5.6
85.02923	3.4
85.06522	1.1
85.10167	0.4
89.92973	0.5
91.03923	1.8
91.05490	10.3
93.07051	33.9
95.04984	4.4
95.08614	36.0
95.55537	0.4
97.02898	3.4
97.06560	2.9
97.10134	1.5
98.20718	0.9
98.36137	0.4
99.04433	2.7
99.08086	0.8
100.64735	0.4
105.04509	0.6
105.06410	0.7
105.07040	8.3
107.04977	4.4
107.08605	23.1
109.06486	1.4
109.10155	8.6
111.04411	0.5
111.08067	0.9
111.11642	0.6
115.03945	0.5
115.05468	0.7
116.07085	0.5
117.07015	6.0
119.07809	0.7
119.08587	9.7
121.06507	3.0
121.10148	12.9
123.08035	0.7
123.11714	2.4
125.05943	1.4
125.09521	0.5
127.03898	0.7
129.06950	1.0
130.07771	0.8
131.08580	4.6
133.10132	5.0
135.08009	1.6
135.11700	34.1
137.13246	0.7
139.07495	0.7
145.10127	19.1
146.08084	1.6
147.08015	0.6
147.11694	2.6
149.09615	0.5
149.13290	2.8
153.12691	0.7
159.11708	2.3
161.13251	1.7
163.06001	0.9
163.11194	38.5
163.14793	1.8
173.09688	1.0
173.13197	1.9
175.14865	0.6
181.12254	6.0
187.14839	1.3
191.10638	0.6
209.11662	0.9
227.12796	38.9
243.20895	2.1
261.22144	6.6
267.15991	1.3
283.15417	59.8
284.15814	0.8
313.27374	1.1
314.27707	1.0
317.24823	1.8
320.13611	0.5
333.24194	0.6
335.25818	94.2
336.26178	1.4
451.32291	0.6
505.38925	0.6
506.39450	1.1
507.39755	0.5
543.36853	100.0
544.37213	1.4
561.37665	1.8
676.47760	1.2
871.27515	0.9
903.31006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	0.2
67.41770	0.1
68.99798	0.5
69.03083	0.3
69.03433	3.1
71.01345	0.2
71.04998	6.2
73.02912	0.4
74.19794	0.1
75.04483	0.3
81.03426	1.6
81.07077	0.2
83.04992	1.4
85.02908	17.1
87.04475	0.8
89.03412	0.2
89.03922	2.1
91.05481	0.2
93.07046	0.2
95.04973	0.3
97.02896	4.7
99.04449	0.6
105.03369	0.2
105.07002	0.2
106.04193	0.2
107.04963	0.4
109.02881	1.9
111.00795	0.5
111.04447	0.9
115.03939	1.1
117.03386	6.4
119.04936	0.2
121.02879	2.0
123.04442	0.2
125.06007	0.2
127.03922	1.7
129.04541	0.2
129.05489	2.2
129.06955	0.2
133.02863	0.4
133.04955	0.5
134.03630	0.4
135.04395	0.5
137.02342	0.6
137.05984	0.3
138.57898	0.1
139.03860	0.1
141.06880	0.1
143.07115	0.2
145.02852	19.6
145.04944	1.5
147.04427	1.0
147.06482	0.7
149.04720	0.2
149.05981	2.5
153.01843	2.8
153.05511	0.1
157.06473	0.4
161.05971	0.1
163.03893	0.6
165.01822	1.3
169.04965	0.2
171.06517	0.2
177.05476	44.6
178.05835	0.3
179.07109	0.2
183.02884	0.7
185.05968	0.3
186.05493	0.4
189.05438	0.2
195.06525	2.6
197.06009	0.2
207.06593	0.1
210.85928	0.1
213.05476	1.0
225.07588	0.2
231.06540	0.5
241.04926	0.8
243.08730	0.3
258.05313	0.8
259.05978	0.3
261.09747	0.3
269.04443	0.2
286.04626	0.5
287.05505	100.0
288.05841	0.9
291.08542	0.2
299.05457	0.5
301.07144	0.4
305.10135	0.4
321.09808	0.3
323.11386	0.6
329.06546	0.2
339.10794	4.5
343.07935	0.1
395.07715	0.2
419.09540	0.2
485.16876	0.6
607.14630	0.2
617.20422	0.3
625.14880	0.5
773.75757	0.1
892.95514	0.1
903.64508	0.1
925.25012	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	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.5
67.05508	38.6
68.21234	0.4
69.03429	3.2
69.07070	10.2
69.22230	3.9
71.01328	1.1
71.04992	3.7
71.08614	0.6
73.02924	4.6
77.03892	0.5
79.05495	34.4
81.03423	11.1
81.07058	39.5
83.00922	0.5
83.01347	6.4
83.04983	10.3
83.08619	12.7
85.02908	19.2
85.06563	1.9
87.04446	0.7
90.99449	0.4
91.03426	0.6
91.03955	10.2
91.05482	22.3
93.07044	38.7
95.04967	7.7
95.08609	29.3
96.04471	0.8
96.08925	0.6
96.45775	0.4
97.02892	11.3
97.06005	0.4
97.06522	4.1
97.09659	0.4
97.10167	4.1
97.87404	0.4
99.04456	3.3
99.08091	0.7
103.05457	1.0
105.04493	0.8
105.07032	16.9
107.04964	5.9
107.08597	23.2
109.02851	1.1
109.06523	6.9
109.10156	12.2
111.04442	2.3
111.08101	2.5
111.11723	1.0
113.09621	0.5
115.05378	0.4
117.06247	0.8
117.07021	10.3
117.37122	0.4
119.08588	14.3
120.08805	0.4
121.06520	2.4
121.10144	17.9
123.04427	0.6
123.07227	0.4
123.08073	7.7
123.11707	4.0
125.05946	1.1
125.09640	3.4
127.03925	4.4
128.06183	0.5
129.07019	3.1
130.07736	1.4
131.08572	8.9
133.10135	7.7
135.08081	1.9
135.11693	16.5
137.09558	1.7
137.13206	1.5
138.11182	0.4
143.08601	2.0
145.04927	5.2
145.06281	0.7
145.10127	16.6
147.07993	1.9
147.11690	5.8
149.09578	1.5
149.13249	5.0
149.52826	0.4
151.11134	0.8
153.12756	2.7
155.08525	1.5
157.10130	1.2
159.11699	5.2
161.09547	0.5
161.13255	3.3
163.06033	5.8
163.11183	19.9
163.14769	2.2
165.09094	0.5
169.10181	0.6
171.11615	1.3
173.09641	2.8
173.13255	4.2
175.14798	1.1
177.16426	0.5
180.08716	0.4
181.12224	3.8
183.11693	0.5
185.13286	1.1
187.14812	1.7
189.11258	2.7
189.16327	0.5
191.10590	2.2
193.12180	1.2
199.14822	0.8
201.16440	0.6
209.11678	5.6
209.13402	0.6
211.13231	1.4
227.12785	10.2
233.22589	0.5
241.19513	0.5
243.21135	3.9
259.20541	1.2
261.22137	13.9
267.15878	2.5
268.16385	1.1
273.22186	0.6
277.21780	1.0
279.23264	0.8
283.15402	100.0
284.15723	0.9
285.16864	1.0
298.91901	0.4
299.23697	4.1
301.21854	0.7
313.27106	1.0
314.27679	1.4
315.23093	0.7
317.24716	4.2
325.21072	0.4
333.24243	2.9
335.25806	62.4
336.26233	0.5
357.44028	0.5
433.31070	2.1
451.32126	3.2
469.33258	3.4
487.34079	1.4
499.34280	0.5
506.39410	0.6
507.34775	1.1
515.37195	1.5
525.35767	6.7
543.36823	63.9
544.37006	1.4
561.37885	5.9
850.74072	0.4
876.23779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83545	0.7
65.03941	1.4
67.05509	28.2
69.03423	1.6
69.07077	5.6
69.46794	1.2
69.47184	4.1
71.04997	1.1
73.02917	1.3
79.05497	28.3
81.03421	3.2
81.06590	1.3
81.07060	24.9
82.06581	1.6
83.04991	4.2
83.08624	3.8
85.02889	3.4
85.06566	1.0
86.99051	0.6
91.03965	1.3
91.05485	21.7
93.07050	29.5
95.04972	6.5
95.08616	21.0
97.02862	1.6
97.06523	2.5
97.10167	2.5
100.07611	6.2
101.08622	0.6
105.04542	1.2
105.06322	0.8
105.07034	15.8
107.04945	1.8
107.08604	10.4
109.06510	1.7
109.10155	5.8
117.07014	4.3
119.08590	11.2
121.10149	7.7
123.08096	1.3
123.11743	1.3
127.03930	1.0
128.06268	0.8
129.07019	6.2
131.08551	3.2
133.10124	6.1
135.11700	4.3
138.07179	0.6
143.08562	2.9
145.10126	4.9
146.08134	13.4
147.08069	0.7
147.11699	11.7
149.13243	2.2
156.09311	0.9
159.11722	2.4
161.09615	1.2
161.13300	4.6
163.14873	1.2
171.11726	8.1
173.13246	1.4
182.69243	0.6
189.12773	3.2
207.11879	1.0
207.13788	7.0
210.89278	0.6
228.94038	0.6
243.21078	1.0
261.22198	2.9
278.38425	0.8
279.15973	0.8
281.17499	23.9
285.21890	0.7
313.27365	1.2
317.24753	0.8
335.25812	31.9
355.83344	0.6
523.39178	1.0
541.38934	100.0
542.39508	2.7
559.30621	0.7
559.40161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.6
67.05505	47.0
69.03436	4.3
69.07072	11.5
70.59177	0.6
70.59509	1.0
71.01321	1.4
71.04997	4.1
71.08614	0.9
73.02923	4.8
79.05493	41.2
81.03419	12.1
81.07057	50.1
83.00922	0.7
83.01347	7.9
83.04977	10.0
83.08619	15.0
85.02905	20.7
85.06501	1.8
91.03429	0.7
91.03955	12.2
91.05479	25.1
93.07044	52.3
95.04974	8.6
95.08607	37.3
96.04494	0.5
97.02321	0.8
97.02889	11.4
97.06517	4.8
97.10175	5.3
99.04464	2.9
99.08045	0.6
103.05437	1.1
105.04478	1.8
105.06320	0.8
105.07029	19.7
107.04958	7.6
107.08592	28.4
109.02850	1.1
109.05919	0.5
109.06530	5.9
109.10156	16.2
111.04456	2.9
111.08043	2.1
111.11705	0.7
113.09631	0.5
115.03919	1.1
115.05405	0.7
117.06236	0.7
117.07021	10.3
119.07714	0.6
119.08582	17.0
121.06519	2.9
121.10143	23.2
123.08072	8.0
123.11705	5.8
125.05952	1.4
125.09610	3.4
127.03928	4.4
129.07014	2.7
130.07764	1.5
131.08571	12.8
133.10129	10.0
135.08052	2.4
135.11691	19.9
137.09586	2.3
137.13245	1.3
139.07504	0.9
139.11197	0.6
143.08514	2.1
145.04088	0.4
145.04915	4.3
145.06474	0.6
145.10123	20.1
147.07976	1.9
147.11694	6.8
149.05992	0.7
149.09560	1.7
149.13264	7.1
151.11191	0.9
153.12697	2.8
155.08533	1.7
157.10098	1.8
159.11684	6.1
161.09552	0.6
161.13268	4.8
163.06010	6.2
163.11179	21.7
163.14821	3.9
171.11644	1.2
173.09663	3.1
173.13264	5.5
175.11108	0.5
175.14793	1.9
177.12727	0.6
177.16370	1.2
179.14241	0.8
180.08656	0.6
181.12265	3.0
183.11647	0.9
185.13223	1.2
187.13361	0.5
187.14844	2.8
189.11180	2.5
191.10686	3.6
193.12215	2.1
197.13348	0.9
199.14835	0.8
199.93140	0.6
201.16325	1.0
209.11742	7.2
209.13593	0.6
211.13255	2.1
225.16698	0.5
227.12764	10.0
241.19492	1.1
243.21094	5.9
245.13882	0.9
259.20578	1.9
261.22141	18.3
267.15817	3.2
268.16098	0.6
273.21927	0.6
277.21582	1.0
279.23364	0.5
281.22818	0.6
283.15396	97.1
284.15668	1.0
285.17035	1.0
297.22141	0.9
299.23718	5.6
299.81531	0.5
308.79184	0.5
313.27496	1.2
314.27582	0.7
315.23383	0.7
317.24695	5.7
333.24158	2.3
335.25800	89.8
336.26093	1.2
339.23108	0.6
415.29593	1.0
423.27695	0.6
423.32834	0.7
431.28107	0.8
433.31302	3.0
451.32065	4.4
456.71017	0.5
469.33340	3.6
487.34094	1.5
506.20615	0.5
515.37097	1.5
525.35779	8.3
543.36816	100.0
544.37006	2.0
561.37860	6.9
617.30609	0.6
664.17529	0.5
698.63684	0.5
713.14642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.6
69.99309	2.0
81.07064	0.5
91.05511	0.5
93.07064	0.5
94.04747	0.5
104.02869	0.5
108.79620	0.5
118.80468	0.5
119.08672	0.4
121.10101	0.5
121.81085	0.5
128.06297	0.6
161.06032	1.0
171.08066	1.1
189.09189	1.3
199.07605	0.6
204.07909	0.7
205.08641	0.7
217.08685	0.6
225.13962	0.6
233.67494	0.5
235.12560	0.5
249.14174	0.5
271.65784	0.5
273.74643	0.5
401.17850	0.6
403.19427	0.6
415.19797	1.0
416.20309	0.9
417.21072	1.4
418.21503	0.9
429.16782	0.9
430.17276	0.9
430.22348	0.7
431.18781	2.0
431.23062	1.4
433.24057	3.2
443.18945	1.9
444.18765	2.3
445.20416	3.9
445.25131	1.7
446.20761	0.7
456.21216	0.6
457.20596	2.0
458.21436	2.1
459.21716	21.0
460.22559	7.2
461.23398	4.7
471.22131	1.3
472.22861	1.6
473.23492	11.4
474.24295	4.7
475.25229	2.4
486.20798	0.6
487.24948	1.9
491.24692	0.6
492.25253	0.9
501.22888	1.4
503.21478	0.5
505.26505	0.8
506.27621	0.8
518.23706	0.6
519.23413	6.3
520.24298	0.7
531.24194	2.1
532.24554	0.8
533.25446	5.7
545.25360	2.5
546.26422	1.1
547.27075	22.2
548.27655	1.1
559.27191	1.7
560.28650	1.1
561.28589	4.5
574.25665	1.5
587.26483	1.3
591.26666	1.5
605.27753	2.2
606.28448	4.4
607.29230	5.1
619.29608	3.2
620.30029	3.7
621.31342	1.5
649.29315	0.6
795.33649	0.6
837.38440	1.1
865.37927	1.8
897.40729	100.0
898.40601	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	892.6564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	2.6
69.38888	1.6
71.08634	100.0
71.51862	1.7
73.06534	2.7
78.63056	1.5
81.07056	1.9
83.08607	3.1
85.10186	88.5
87.04472	17.0
89.06030	71.3
94.70092	1.6
97.10144	4.0
99.11738	15.6
101.09633	3.6
111.11728	1.8
113.13271	7.3
117.09135	18.1
130.08661	3.1
131.07024	3.8
133.08609	67.4
155.17960	13.5
175.09660	5.1
177.11227	26.1
181.36530	1.8
213.22124	23.7
219.12271	2.9
221.13904	5.7
265.16656	2.5
271.26337	28.5
271.50021	2.0
283.17410	2.6
547.33295	12.5
554.28656	1.8
587.35809	3.0
605.37006	3.2
657.06305	1.7
892.50500	2.1
892.65540	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	894.636
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41213	1.0
67.05517	1.0
71.08638	36.4
71.52132	0.8
72.08150	0.9
73.02921	2.6
73.06566	6.5
79.05514	1.1
81.07043	1.1
83.08614	2.0
85.09673	1.3
85.10190	32.9
87.04475	21.1
89.06039	100.0
97.06550	0.8
99.11728	3.5
103.07585	6.8
107.07079	1.7
107.08566	1.4
113.06015	1.7
117.09161	7.1
124.50327	1.0
127.69995	0.9
130.08696	2.1
131.06223	0.8
131.07083	6.3
133.08615	70.9
141.16362	3.9
146.52499	0.9
157.08508	1.0
161.11707	2.5
175.09698	6.9
177.11241	33.4
194.44640	0.8
199.20624	4.6
219.12306	3.6
221.13855	7.6
243.23288	4.9
252.18437	1.1
265.16446	2.5
283.17560	1.8
298.46143	1.0
309.19049	2.4
311.09406	1.0
327.20020	2.1
347.37228	0.8
353.21890	2.0
362.18546	0.9
395.82578	1.0
416.22992	0.9
679.40546	3.8
877.60461	1.9
886.53711	1.0
894.64001	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	897.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87328	0.5
65.99282	0.5
67.05481	0.5
71.12138	1.0
71.12486	0.5
95.08598	0.6
99.37181	0.5
100.00461	0.6
100.35513	0.7
115.05469	0.7
119.08641	0.6
128.06209	0.7
161.05998	1.1
174.06831	0.8
181.06595	0.7
189.09131	0.9
204.89476	0.6
205.08675	0.6
247.12578	0.7
249.10381	0.9
303.84695	0.5
369.30002	0.6
403.19376	0.8
411.70596	0.6
415.19449	1.5
416.20169	1.2
417.20972	1.4
429.21503	1.0
430.21924	1.1
431.17984	1.2
431.22656	2.0
432.23633	0.8
433.24039	3.2
436.53561	0.6
443.18900	1.8
444.19733	2.0
445.19489	4.2
446.21033	1.1
457.20694	1.7
458.21347	1.9
459.21661	16.9
460.22452	6.2
461.23596	3.4
471.22079	1.2
472.22827	1.9
473.23462	10.2
474.24274	4.7
475.25177	3.2
487.25433	2.1
492.25555	1.3
501.22940	0.9
505.24054	0.6
513.22449	0.6
515.79108	0.6
517.22491	0.7
518.23181	0.8
519.23279	4.7
532.24530	1.0
533.25342	4.9
545.25964	1.7
546.26007	0.9
547.27057	22.0
559.27161	1.5
560.28131	1.5
561.28491	3.2
574.25854	1.1
587.26251	0.7
589.28503	0.8
591.26221	1.7
605.27435	1.9
606.28302	3.0
607.29181	4.9
619.29370	3.3
620.30414	3.9
621.31085	1.3
837.38623	1.0
865.38483	2.7
897.40704	100.0
898.40692	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	889.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.9
69.19176	4.5
69.19582	1.3
81.07090	0.8
91.05437	1.0
93.07043	0.7
108.47292	0.6
109.10211	0.6
109.51709	0.6
122.30749	0.7
173.49788	0.6
214.72807	0.7
253.14415	1.0
303.61169	0.7
323.02145	0.7
415.19815	1.2
418.22025	1.1
421.24222	1.5
429.21143	1.8
430.22110	0.9
431.22824	1.6
433.24292	2.2
434.25085	0.7
435.00067	0.8
443.22409	1.9
444.23550	1.2
445.19748	1.1
445.24738	1.0
446.20718	0.8
453.20667	0.8
459.21744	2.2
460.22531	3.1
461.23608	1.4
473.23682	2.2
474.24518	1.3
481.20255	1.1
483.22223	1.2
484.22626	1.6
485.23560	2.4
486.24808	0.9
487.25986	3.4
491.24542	1.1
495.17908	0.9
496.23053	1.2
497.23303	0.8
499.25208	1.0
501.23068	1.3
505.22592	1.1
506.26898	1.9
509.20401	0.7
511.25638	1.9
523.25311	1.3
525.23041	2.2
526.23657	1.0
527.24591	1.0
533.25714	3.0
535.26044	0.8
536.22394	1.0
537.25525	0.7
538.22516	0.8
539.24164	2.0
540.25330	1.3
541.26245	1.2
543.66742	0.8
545.25549	7.1
546.26697	1.4
549.23602	0.9
550.22589	1.1
551.24811	1.2
552.22394	2.3
553.22870	2.5
555.24426	0.8
564.25934	1.1
565.28265	0.9
567.23749	6.1
568.24768	1.9
569.25366	1.5
573.24713	1.6
579.24310	2.8
581.25366	1.3
585.25446	1.4
595.24158	3.0
605.27277	0.9
609.24463	0.9
623.23669	2.4
627.29510	1.5
651.25153	1.0
654.28650	2.5
655.29224	5.0
682.27740	0.9
683.29028	2.2
709.26135	1.3
711.27936	0.9
743.30786	0.9
753.29053	0.9
797.28400	0.9
811.29419	0.9
813.31470	1.2
825.29449	0.8
829.30676	3.8
839.28955	2.4
857.30273	26.9
858.28625	1.0
861.32898	1.1
871.31866	2.7
889.32977	100.0
890.32953	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45838	1.3
64.77818	1.3
67.05508	16.9
68.99793	3.7
69.03442	11.3
69.07070	58.8
71.05000	9.2
71.08644	2.1
71.52509	2.4
73.02903	4.4
73.06562	2.6
79.05492	14.1
81.03422	17.8
81.07059	23.7
83.04991	8.1
83.08638	18.6
85.02914	22.3
85.06555	3.3
87.00822	9.3
87.04483	11.0
87.08099	1.9
89.06036	52.3
91.05479	5.3
93.07055	29.7
95.04968	5.8
95.08614	23.1
97.02885	10.2
97.06535	28.9
97.10186	3.5
99.04444	7.1
101.06036	4.5
101.09663	3.0
103.03920	2.6
103.07581	1.9
105.01862	5.1
105.07037	4.4
107.08601	31.1
109.02884	19.2
109.10155	13.6
111.08103	10.0
111.11734	7.1
112.67609	1.6
115.07574	3.2
117.09131	5.8
119.08582	2.1
121.06538	2.1
121.10129	3.6
122.18990	1.5
125.13278	3.1
127.03920	19.0
129.01860	2.7
131.07066	3.1
131.10715	2.0
133.08607	38.9
133.10143	2.2
135.11705	72.8
136.06223	4.0
137.06017	2.2
139.11192	4.1
145.04988	4.8
145.10199	1.9
147.04469	2.2
149.06049	2.4
149.13261	4.3
151.91287	1.5
153.12761	96.3
157.12260	4.1
159.02931	5.7
167.07045	1.9
167.14363	3.3
171.13809	100.0
175.09654	2.4
177.11235	24.3
185.15369	1.6
189.14912	2.5
191.12682	1.5
197.15355	17.8
211.16928	6.9
213.03860	2.2
215.16411	3.0
221.13818	5.1
227.16414	2.6
229.18001	53.3
231.05031	2.7
239.14998	2.3
243.19638	2.6
247.19043	3.2
265.16403	4.0
269.21161	2.1
283.17587	28.7
287.22180	29.0
301.06860	1.6
323.20651	4.8
327.20139	1.9
327.67828	1.6
341.21738	16.8
345.26334	1.7
347.24426	2.2
381.24866	4.2
391.26675	1.7
399.25848	6.4
498.67438	1.9
609.23334	1.6
627.43286	7.0
892.49719	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	889.24
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.6
67.05498	0.2
68.99789	0.3
69.03433	3.0
69.07044	0.1
69.16868	0.4
69.17287	1.0
70.06596	0.3
71.01364	0.2
71.04999	6.3
72.14054	0.1
73.02911	0.4
75.04482	0.4
79.05491	0.3
81.03439	1.1
81.07069	0.1
83.04977	1.5
84.08138	0.2
84.20571	0.1
84.98033	0.1
85.02910	12.7
87.04474	0.9
89.03893	0.2
91.05485	3.9
93.03432	0.2
95.04975	0.5
97.02896	3.8
97.03527	0.2
97.06554	0.2
99.04464	0.6
101.05939	0.1
105.07027	0.2
107.04971	0.4
109.02869	1.2
111.00825	0.8
111.04444	1.2
115.03938	1.3
117.03362	0.3
117.05498	0.3
119.04952	11.8
121.02902	1.1
123.04430	0.4
127.03909	1.2
129.05490	2.4
131.04953	0.2
133.04965	0.7
135.04431	0.9
135.11752	0.1
137.02357	2.4
137.03339	0.1
137.05998	0.3
139.03876	0.2
145.02876	0.6
145.04961	0.7
145.06413	0.2
147.04419	65.5
148.04741	0.3
149.02405	0.3
149.05980	0.1
151.03972	0.2
153.01823	3.0
153.05473	0.3
161.05971	0.3
163.03917	5.6
164.31908	0.1
165.01848	2.1
165.05486	2.4
166.02687	0.2
167.03416	0.2
169.05035	0.1
171.06609	0.3
173.05978	0.3
173.35527	0.1
174.30357	0.1
175.03813	0.2
177.05602	0.1
181.04944	0.2
183.02907	0.8
183.04393	0.3
185.05988	0.2
187.03972	0.2
191.06909	0.1
195.02863	0.2
197.06075	0.1
201.05470	1.3
205.04941	0.3
207.06456	0.2
213.05519	0.3
219.02892	0.1
219.06526	0.3
225.07608	0.5
229.05002	3.3
231.06554	0.3
237.07259	0.1
240.67293	0.1
243.08664	0.4
247.06046	0.8
257.04456	2.6
261.07379	0.3
261.09756	0.5
274.04712	0.9
275.05405	0.3
275.09052	0.4
285.04041	1.2
285.07233	0.2
287.05515	10.9
291.08557	0.8
293.10245	0.7
303.05005	100.0
304.05411	0.9
309.09735	3.7
311.90335	0.1
315.05185	0.4
325.09055	0.2
345.05997	0.5
362.78012	0.1
411.07263	0.2
435.09262	0.6
449.10422	0.2
455.15610	0.4
468.16980	0.2
515.10132	0.1
587.19818	0.2
593.12872	0.4
611.13995	0.7
739.18671	0.3
775.96008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.24
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.6
67.05498	0.2
68.99789	0.3
69.03433	3.0
69.07044	0.1
69.16868	0.4
69.17287	1.0
70.06596	0.3
71.01364	0.2
71.04999	6.3
72.14054	0.1
73.02911	0.4
75.04482	0.4
79.05491	0.3
81.03439	1.1
81.07069	0.1
83.04977	1.5
84.08138	0.2
84.20571	0.1
84.98033	0.1
85.02910	12.7
87.04474	0.9
89.03893	0.2
91.05485	3.9
93.03432	0.2
95.04975	0.5
97.02896	3.8
97.03527	0.2
97.06554	0.2
99.04464	0.6
101.05939	0.1
105.07027	0.2
107.04971	0.4
109.02869	1.2
111.00825	0.8
111.04444	1.2
115.03938	1.3
117.03362	0.3
117.05498	0.3
119.04952	11.8
121.02902	1.1
123.04430	0.4
127.03909	1.2
129.05490	2.4
131.04953	0.2
133.04965	0.7
135.04431	0.9
135.11752	0.1
137.02357	2.4
137.03339	0.1
137.05998	0.3
139.03876	0.2
145.02876	0.6
145.04961	0.7
145.06413	0.2
147.04419	65.5
148.04741	0.3
149.02405	0.3
149.05980	0.1
151.03972	0.2
153.01823	3.0
153.05473	0.3
161.05971	0.3
163.03917	5.6
164.31908	0.1
165.01848	2.1
165.05486	2.4
166.02687	0.2
167.03416	0.2
169.05035	0.1
171.06609	0.3
173.05978	0.3
173.35527	0.1
174.30357	0.1
175.03813	0.2
177.05602	0.1
181.04944	0.2
183.02907	0.8
183.04393	0.3
185.05988	0.2
187.03972	0.2
191.06909	0.1
195.02863	0.2
197.06075	0.1
201.05470	1.3
205.04941	0.3
207.06456	0.2
213.05519	0.3
219.02892	0.1
219.06526	0.3
225.07608	0.5
229.05002	3.3
231.06554	0.3
237.07259	0.1
240.67293	0.1
243.08664	0.4
247.06046	0.8
257.04456	2.6
261.07379	0.3
261.09756	0.5
274.04712	0.9
275.05405	0.3
275.09052	0.4
285.04041	1.2
285.07233	0.2
287.05515	10.9
291.08557	0.8
293.10245	0.7
303.05005	100.0
304.05411	0.9
309.09735	3.7
311.90335	0.1
315.05185	0.4
325.09055	0.2
345.05997	0.5
362.78012	0.1
411.07263	0.2
435.09262	0.6
449.10422	0.2
455.15610	0.4
468.16980	0.2
515.10132	0.1
587.19818	0.2
593.12872	0.4
611.13995	0.7
739.18671	0.3
775.96008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52390	1.0
79.54602	0.6
79.65917	0.6
86.12862	0.7
97.28266	0.7
131.56053	0.9
136.47527	0.7
202.01927	0.7
402.18549	0.8
415.19400	1.5
417.20886	1.6
418.21252	1.0
421.24429	1.1
429.20938	3.1
431.18018	1.0
433.24115	1.6
441.20795	0.7
443.22525	2.8
444.23627	1.8
445.19980	1.4
446.21271	2.2
458.25519	1.0
459.21735	1.2
460.22760	3.2
461.23566	2.0
472.22925	1.6
473.23404	1.8
476.21741	1.1
485.23608	3.7
487.25601	1.4
497.23785	1.2
501.23004	1.0
506.26917	1.1
511.21741	1.5
525.23254	1.0
531.23932	1.0
533.26038	1.1
545.25482	7.6
546.26361	1.1
559.27484	1.1
566.22595	1.3
567.24207	0.9
573.25580	1.5
593.21661	0.9
594.22363	1.3
605.27509	2.5
645.26434	1.0
653.26202	1.0
671.28510	1.2
680.25983	0.8
709.28333	1.7
713.26367	1.0
796.26929	1.1
811.30072	2.6
827.29669	2.3
855.28717	14.4
859.31494	1.1
869.31726	1.5
887.31384	100.0
888.31653	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2609
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
64.94556	0.1
65.03928	0.6
67.05511	0.1
68.99810	0.4
69.03436	1.1
71.01358	0.3
71.05000	9.6
73.02928	0.7
75.04489	0.5
79.05489	0.2
81.03411	0.7
83.04990	3.4
85.02911	17.9
87.04473	0.4
89.06042	0.1
91.05489	3.1
95.04993	0.6
97.02911	1.6
97.06552	0.2
98.20807	0.3
99.04464	0.6
101.06026	0.1
103.05362	0.1
105.03404	0.3
107.04979	0.5
109.02893	1.3
111.00863	0.5
111.04451	2.5
113.06033	0.2
117.05476	0.2
119.04955	9.0
121.02868	1.8
123.04422	0.2
127.03927	1.5
129.05490	3.4
133.02867	0.4
133.06526	0.1
133.08635	0.1
137.02324	0.5
145.04965	0.8
145.05954	0.1
145.06554	0.1
147.04422	47.3
148.04761	0.3
149.05991	0.2
151.03885	0.1
153.01840	2.4
153.05449	0.7
157.05128	0.2
157.06470	0.2
159.06558	0.2
161.06006	0.2
163.06041	0.4
165.01863	1.4
165.05482	1.5
169.05025	0.1
171.04358	0.1
171.06561	0.3
175.07507	0.1
177.05510	0.2
181.01257	0.1
183.02925	0.5
184.48056	0.1
185.06036	0.4
189.05611	0.2
193.08649	0.1
195.06584	0.2
197.06035	0.1
201.05550	0.1
201.07567	0.3
213.05528	0.8
213.07362	0.2
221.08235	0.2
231.06630	0.5
239.09132	1.0
241.04904	0.8
257.10217	0.3
258.05255	0.7
259.05994	0.5
269.04422	0.2
275.08929	0.3
275.11285	0.4
284.70245	0.1
286.04715	0.1
287.05518	100.0
288.05869	0.7
291.08643	0.3
293.09863	0.7
299.05560	0.5
309.09705	2.5
311.05307	0.1
329.06604	0.3
353.06482	0.2
365.06406	0.3
395.07773	0.2
397.09125	0.2
413.08765	0.2
419.13333	0.2
431.09979	0.2
433.11160	0.2
437.14291	0.1
455.15427	0.4
461.34332	0.1
517.69611	0.1
595.14490	1.0
601.21198	0.2
604.83813	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	887.2609
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
65.03937	0.6
67.01879	0.1
67.05509	0.1
67.52593	0.1
68.99817	0.2
69.03436	0.5
71.01350	0.2
71.04997	7.7
73.02910	0.4
75.04481	0.4
79.05500	0.2
81.03421	0.4
83.04984	2.3
85.02907	9.0
87.04477	0.2
91.05484	4.3
95.04976	0.4
97.02888	0.3
97.06522	0.2
98.21507	0.3
99.04443	0.5
101.06023	0.1
105.03385	0.2
107.04955	0.4
109.02866	0.4
111.00790	0.5
111.04449	1.8
113.02496	0.1
113.06021	0.3
117.05499	0.4
119.04947	10.3
121.02879	1.6
127.03923	0.6
129.05486	2.8
129.06955	0.1
131.04878	0.1
131.94537	0.1
133.02869	0.4
133.06561	0.1
135.04440	0.1
137.02365	0.6
139.03836	0.1
141.07022	0.1
145.06482	0.2
147.04416	48.3
148.04771	0.3
153.01820	2.3
153.05453	0.5
157.05000	0.2
157.06508	0.3
159.06555	0.1
161.05972	0.2
163.06007	0.2
165.01851	1.1
165.05511	0.6
169.06441	0.1
171.04388	0.2
171.06561	0.3
175.03920	0.1
183.02922	0.6
185.05960	0.4
187.07639	0.2
189.05453	0.2
193.08568	0.1
197.05972	0.2
201.05481	0.2
201.07463	0.1
203.03145	0.1
203.07031	0.3
213.05525	1.0
213.07484	0.1
215.07104	0.1
217.04990	0.1
229.05038	0.1
231.06525	0.8
239.09134	0.8
241.05029	0.5
257.10257	0.2
258.05249	0.7
259.05762	0.2
269.04565	0.1
275.08832	0.5
275.11438	0.2
286.04630	0.2
287.05502	100.0
288.05844	1.1
291.08572	1.1
293.10022	0.9
299.05542	0.2
309.09698	1.9
314.50104	0.1
329.06516	0.3
353.06631	0.1
433.11240	0.2
449.10730	0.1
577.13275	0.4
595.14124	0.5
881.30292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.3
69.03431	4.0
69.07084	0.5
71.01389	0.6
71.08652	1.8
71.52384	0.5
73.02920	3.7
79.05502	0.7
81.03424	1.7
81.07092	1.8
83.08629	1.2
85.02911	6.0
85.10211	0.9
86.53795	0.4
87.04484	0.5
87.45359	0.3
91.03972	2.9
91.05508	0.9
93.07075	1.1
95.08624	1.7
97.02901	5.2
97.10185	0.5
99.04498	1.0
101.02392	1.9
107.04971	0.5
107.08604	0.6
108.58534	0.4
109.02908	0.9
109.10170	0.5
115.03928	0.7
121.10149	0.6
123.63025	0.4
125.05999	0.4
127.03947	2.0
131.08618	0.6
135.11781	0.8
136.97768	0.4
145.04994	0.6
145.10194	1.0
163.11192	1.3
185.04276	0.6
190.09315	0.4
209.11929	0.4
243.08398	1.9
249.11099	0.5
283.15634	0.6
293.60126	0.4
313.27509	1.3
314.27756	0.4
347.09418	2.3
365.10791	1.1
405.13669	4.9
440.30698	0.4
467.18942	8.4
497.30972	4.1
551.94635	0.4
629.24243	6.7
659.36090	4.0
723.42566	2.2
885.48193	100.0
886.48407	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	887.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.4
67.05518	0.1
67.62228	0.1
68.99799	0.3
69.03425	0.5
69.34237	0.8
71.01350	0.3
71.04996	8.2
72.49477	0.1
73.02930	0.7
75.04482	0.3
79.05502	0.1
81.03417	0.3
82.21436	0.1
82.72015	0.1
83.04987	2.3
84.90739	0.1
85.02909	10.0
87.04475	0.3
91.05485	3.4
95.04965	0.4
97.02881	0.6
97.06516	0.1
99.04446	0.5
100.59420	0.1
105.03387	0.2
107.04971	0.4
109.02892	0.4
111.00829	0.5
111.04445	1.6
113.06011	0.2
113.53275	0.1
117.05499	0.4
119.04948	9.1
121.02868	1.6
123.04464	0.1
125.06016	0.1
127.03926	0.4
129.05492	2.9
129.06396	0.2
133.02873	0.3
135.04434	0.2
137.02361	0.5
145.06494	0.1
147.04417	51.1
148.04715	0.3
149.05962	0.1
153.01825	2.1
153.05486	0.5
153.24803	0.1
157.04973	0.2
157.06447	0.2
161.05968	0.2
163.06058	0.4
165.01843	1.2
165.05493	1.8
165.06863	0.1
167.54254	0.1
171.04434	0.1
171.06566	0.3
173.05949	0.2
175.07599	0.1
177.05511	0.2
183.02916	0.6
185.06017	0.4
197.05959	0.1
201.05670	0.1
201.07587	0.2
203.07114	0.1
213.05489	1.1
231.06577	0.7
239.09109	0.7
241.04912	0.6
257.10327	0.2
258.05298	0.7
259.06052	0.4
269.04337	0.1
270.05264	0.1
273.07376	0.1
275.09109	0.3
275.11588	0.2
286.04645	0.2
287.05505	100.0
288.05817	1.1
291.08615	0.8
293.10217	0.8
299.05734	0.2
301.07135	0.1
309.09720	2.6
313.07211	0.1
329.06549	0.4
353.06400	0.1
397.09052	0.2
405.86835	0.1
433.11316	0.4
437.13989	0.1
455.15045	0.1
556.03967	0.1
577.13849	0.5
595.14142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.0
67.05511	12.6
69.03436	2.7
69.07072	7.5
69.94487	1.1
69.94875	0.5
71.05013	2.3
71.08635	15.6
71.86006	0.4
73.02921	2.3
76.72527	0.3
79.05497	9.0
81.03422	24.6
81.07061	17.6
83.04990	5.6
83.08622	14.1
85.02911	18.2
85.06510	1.2
85.10189	9.8
87.04444	1.1
89.06010	1.2
91.03960	4.7
91.05486	12.2
93.06496	0.5
93.07043	6.3
95.04976	10.1
95.08613	15.4
96.04504	0.5
97.02894	5.3
97.06499	1.3
97.09655	0.4
97.10174	4.7
98.20821	0.4
99.04465	0.5
99.08052	0.6
99.11690	0.5
103.07569	0.9
105.07037	9.3
107.04976	2.8
107.08613	3.0
109.02817	0.4
109.06502	2.1
109.09508	0.4
109.10170	6.9
111.04418	1.1
111.08093	5.0
111.11705	0.5
113.05971	0.9
115.03854	0.5
115.05450	0.7
117.06969	1.0
117.09071	0.5
119.08596	8.7
121.06487	0.8
121.09361	0.3
121.10146	4.1
123.08039	1.6
123.11716	3.5
125.09586	0.8
127.03896	1.5
127.07512	0.7
129.07019	4.5
131.08578	4.6
133.06456	1.3
133.10149	5.5
135.11688	0.5
137.09616	0.8
137.13242	1.0
142.07776	1.4
143.08498	0.4
145.04973	2.6
145.10117	0.8
147.08015	1.1
147.11694	6.7
149.09628	3.4
151.11198	0.4
157.10123	6.1
163.06052	1.7
163.11179	0.6
165.12746	1.5
175.11188	7.9
193.12257	19.0
211.13295	19.7
239.23682	1.4
249.14888	0.6
257.24774	1.1
267.15921	11.8
285.16983	32.6
300.05615	0.3
313.27383	64.7
314.27704	0.6
505.38861	18.1
506.39725	0.5
523.39978	100.0
524.40546	1.7
667.44257	0.8
816.47369	0.4
816.64276	0.4
868.30023	0.4
914.80786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.5
71.52322	1.3
73.09503	0.8
80.05783	0.7
81.03450	1.3
81.07070	1.5
91.05509	1.2
93.07076	1.9
94.89000	1.4
95.08630	2.3
105.07103	2.2
109.10143	1.2
121.02884	1.0
131.08635	1.3
191.14365	0.9
221.11066	1.1
235.12453	1.1
246.84319	0.8
322.49020	1.0
389.17978	1.0
391.19321	1.2
400.16861	1.1
401.17816	1.8
402.18759	1.6
413.17926	1.0
414.18863	1.3
415.19440	2.2
417.21140	1.3
419.22504	1.3
427.19589	2.2
428.20172	1.4
429.16684	1.3
429.21606	1.6
441.17279	1.3
442.17639	1.6
443.18771	1.6
445.20578	1.7
447.22150	2.2
457.20242	2.3
459.22284	1.6
461.23447	1.5
469.20737	1.9
470.21439	2.0
471.22144	2.7
472.22977	1.2
473.19458	2.1
474.20572	3.0
486.20514	1.8
487.21497	3.7
488.22235	2.6
490.22879	1.2
491.24142	1.2
498.20853	2.2
499.21060	4.3
501.23282	4.7
512.22369	1.7
513.23505	1.2
515.21082	2.6
525.19000	4.9
527.21027	1.2
531.24176	2.2
535.22131	1.3
537.19495	1.1
539.20941	1.6
547.23920	1.3
559.23535	5.8
567.19849	1.6
569.22235	1.0
572.24353	1.2
573.25134	2.2
577.22968	2.0
587.22089	1.3
588.21930	1.1
593.21277	1.1
599.22827	4.9
605.21497	1.5
619.25488	1.6
636.22693	1.2
659.24805	2.2
707.23541	1.4
710.23376	1.3
721.25830	1.5
735.24945	1.2
803.23547	1.4
807.26819	3.8
809.27985	4.4
821.24878	5.8
825.27850	13.7
826.28162	1.5
835.26465	5.7
853.27173	72.6
854.27570	1.7
857.30005	1.6
867.29578	1.4
885.29834	100.0
886.30243	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	882.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05106	0.4
64.27197	0.3
65.03930	0.4
67.05511	15.1
69.03444	2.7
69.07073	6.3
69.25010	0.4
69.25336	3.1
70.80640	0.3
71.01334	0.6
71.04998	2.5
71.08640	14.5
73.02925	2.5
79.05499	9.7
81.03425	31.7
81.07063	18.5
81.07747	0.4
83.04990	7.7
83.08628	16.1
85.02911	19.9
85.06499	0.9
85.10192	8.1
87.04427	0.6
89.05999	1.1
91.03428	0.4
91.03963	5.4
91.05489	14.4
93.06498	0.5
93.07053	7.5
95.04391	0.5
95.04975	10.8
95.08614	13.6
97.02303	0.5
97.02901	5.7
97.06533	2.7
97.10170	4.5
99.04424	0.7
99.08076	0.7
99.11723	0.6
103.07554	0.7
105.07037	10.8
107.04974	3.3
107.08596	3.0
109.02894	0.4
109.06529	2.4
109.09478	0.5
109.10164	7.1
111.04428	1.3
111.07384	0.5
111.08089	6.1
111.11702	0.7
113.05968	1.2
115.05441	0.6
117.06998	0.6
119.08585	9.1
121.06481	0.8
121.10142	5.0
123.08008	1.3
123.11710	2.1
125.09655	0.6
127.03934	1.9
127.07528	0.3
129.07001	5.0
131.07736	0.5
131.08583	5.6
133.06448	1.2
133.10144	5.9
137.09624	0.8
137.13246	0.9
142.07755	1.3
145.04988	2.0
145.10109	1.1
147.08032	1.5
147.11694	7.8
149.09630	3.5
151.14865	0.5
157.10138	8.4
163.06046	2.6
163.11159	0.5
165.12788	1.7
175.11206	8.9
185.85802	0.4
193.12267	23.8
203.06863	0.3
211.13312	37.2
239.23628	1.6
249.14830	0.8
257.24765	1.5
267.15942	15.2
285.16983	56.7
286.17322	0.5
313.27383	59.7
314.27847	1.0
429.21506	0.4
505.38931	14.2
517.01721	0.4
523.39984	100.0
524.40405	1.8
729.19800	0.4
789.92474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22536	1.2
67.05513	19.0
69.03419	2.4
69.07079	12.5
70.09854	3.8
70.10184	1.2
71.05003	2.3
71.08642	17.0
73.02907	3.7
75.04495	1.3
79.05506	10.4
81.03415	2.6
81.07064	53.1
83.05020	5.3
83.08624	11.1
85.02914	8.7
85.06535	4.3
85.10197	8.0
87.04472	1.5
89.06052	1.5
91.03964	6.1
91.05494	13.3
93.07061	6.4
95.04956	1.9
95.08060	2.0
95.08617	23.5
97.02895	4.4
97.06534	4.6
97.10169	2.5
98.20770	1.3
99.04498	1.2
99.08116	2.6
101.05984	1.5
105.07053	21.7
107.08614	7.4
109.06515	3.2
109.10162	6.9
113.06019	1.7
117.07030	1.1
119.08595	13.9
121.10172	12.4
122.10406	1.1
123.08078	2.7
123.11714	21.2
127.03918	1.6
127.07564	1.3
129.07027	1.2
129.09239	1.1
133.10158	3.2
137.13290	2.9
145.04996	1.3
147.11705	43.8
157.10162	1.6
163.06026	2.7
165.12785	15.1
166.84337	1.1
175.11200	1.3
193.10570	1.1
193.12218	2.4
229.14394	2.3
239.23764	2.1
267.15942	73.7
283.15390	4.1
284.15829	2.3
285.12259	1.6
285.16989	84.8
313.27396	88.9
314.27728	2.6
331.28345	2.9
504.04959	1.4
523.39990	100.0
524.40326	2.9
669.20819	1.5
786.48950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.2
62.04766	0.4
65.03925	0.8
67.05512	12.3
69.03402	1.4
69.07081	6.4
69.91689	1.5
71.04964	1.6
71.08640	16.6
73.02937	2.2
76.82904	0.4
79.05499	10.3
81.03434	2.4
81.07066	17.0
83.01312	1.2
83.04996	2.2
83.08627	10.9
85.02902	5.2
85.10196	9.0
86.10503	0.5
87.04469	0.9
89.06054	2.8
91.03965	3.4
91.05487	4.4
93.07053	17.4
95.04989	3.4
95.08618	26.5
97.02396	0.4
97.02900	5.0
97.06551	2.9
97.10190	2.9
99.04449	2.9
99.11722	0.6
103.07587	0.9
105.07049	4.6
107.04971	4.9
107.08608	13.5
109.06499	1.6
109.10172	6.8
111.04424	1.3
111.08089	1.0
111.11729	0.8
113.13282	0.5
117.07013	4.7
117.09142	0.6
119.08608	5.1
121.06502	2.9
121.10160	8.0
123.08075	1.1
123.11711	1.9
125.05975	1.8
125.13229	0.4
127.03884	1.5
130.07762	0.8
131.08514	1.1
133.08571	1.6
133.10106	1.8
135.08023	1.1
135.11708	24.3
137.13245	0.8
139.07523	1.0
145.04933	1.5
145.10141	15.9
146.15199	0.4
163.06010	1.5
163.11195	36.9
173.09682	0.7
181.12257	6.9
191.10704	0.5
195.96619	0.5
209.11745	1.8
227.12808	37.8
237.71054	0.5
239.23744	1.7
257.24875	2.1
257.27112	0.4
283.15433	87.4
284.15915	0.7
303.11957	0.5
303.50153	0.5
313.27396	87.2
314.27789	0.9
336.25955	0.5
353.68829	0.4
521.38452	100.0
522.38800	2.7
631.04578	0.4
650.49469	0.5
880.47052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	8.0
61.03224	0.3
65.03929	0.3
67.05511	9.2
69.03436	1.9
69.07076	5.5
70.96418	0.4
71.01326	0.6
71.05009	1.9
71.08637	12.6
73.02921	3.1
79.05499	8.5
81.03423	6.0
81.07063	12.9
83.00848	0.2
83.01344	4.6
83.04987	5.8
83.08625	9.5
85.02911	11.3
85.06533	0.9
85.10191	7.4
87.04456	0.4
89.06016	1.0
91.03958	6.9
91.05487	5.1
92.28991	0.2
93.07053	12.6
95.04388	0.2
95.04974	2.8
95.08613	12.3
96.04462	0.3
97.02900	6.0
97.06534	2.8
97.10178	3.1
99.03945	0.2
99.04462	1.7
99.08057	0.4
99.11706	0.5
101.02333	0.2
103.05457	0.4
103.07584	0.9
105.04495	0.2
105.06409	0.3
105.07044	4.1
107.04964	4.1
107.07894	0.3
107.08604	6.2
108.88597	0.2
109.02864	0.6
109.06522	3.1
109.10168	5.5
111.04457	1.2
111.08091	0.8
111.11694	0.7
115.03899	0.5
115.05438	0.2
117.06248	0.2
117.07027	3.4
117.09119	0.4
119.08595	4.3
121.05769	0.2
121.06524	1.8
121.09337	0.3
121.10157	4.2
123.04433	0.3
123.07224	0.3
123.08080	4.8
123.11722	1.8
125.06011	1.0
125.09624	1.0
125.13257	0.3
127.03923	3.1
129.07019	0.8
130.07779	0.6
130.58148	0.2
131.04912	0.2
131.08575	1.7
131.10667	0.2
133.10153	1.2
135.08092	1.1
135.11700	6.2
137.09616	0.8
137.13231	0.8
139.07544	0.5
143.08530	0.4
144.06557	0.2
145.03911	0.3
145.04929	2.9
145.06438	0.5
145.10133	8.5
147.08051	1.2
149.06007	0.3
149.09579	0.4
151.14789	0.3
153.12759	1.4
155.08531	0.5
163.04715	0.3
163.06027	3.6
163.11194	13.8
165.16367	0.2
173.09628	2.0
180.08673	0.2
181.12250	1.9
181.69618	0.2
191.10674	1.3
209.11740	3.7
220.61377	0.2
227.12784	2.1
239.23708	1.4
257.24753	1.6
265.14313	0.3
283.15408	100.0
284.15802	1.1
294.45346	0.2
313.27380	70.4
314.27747	1.1
521.38416	49.1
522.38702	1.2
555.11859	0.2
665.42596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81794	1.4
67.05497	3.7
69.07056	4.4
69.85101	6.6
71.08635	97.5
73.06555	2.1
81.07085	2.3
83.08604	4.3
85.10185	100.0
87.04465	17.4
89.06030	79.8
90.27213	1.5
91.05482	2.1
97.06532	1.8
97.10184	2.7
99.11721	13.2
100.01003	1.4
100.07612	3.2
101.09634	4.4
103.07555	3.1
117.09136	18.6
130.08669	3.1
131.07036	6.7
133.08607	67.1
141.16371	14.4
145.55878	1.2
146.08125	6.5
175.09662	5.5
177.11240	32.1
177.89407	1.5
199.20578	31.2
219.12373	2.7
221.13863	4.8
240.23209	2.3
257.24786	32.7
258.93430	1.3
265.16595	2.5
283.17465	3.2
309.18918	1.6
313.27271	1.5
353.21765	3.0
413.83145	1.4
547.33215	10.5
616.37921	1.6
715.80353	1.7
878.64447	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	879.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.6
68.51109	0.8
71.78164	0.8
74.09714	0.8
79.05521	1.1
79.64239	0.7
81.07083	1.5
85.54849	0.7
91.05519	2.0
93.07063	0.8
98.21579	1.2
107.08598	0.8
115.05503	0.8
115.51042	0.7
128.06300	1.1
133.06499	0.8
160.05222	3.1
161.06007	7.6
189.09183	2.1
192.10152	1.0
205.31390	0.9
231.92422	0.8
237.10408	1.2
249.10318	1.2
261.14438	0.8
263.11893	0.9
279.28729	0.8
387.16214	1.6
401.18024	2.5
402.18881	1.2
403.19464	2.8
404.20355	1.1
415.19440	3.0
416.20554	2.3
417.21365	3.9
418.21808	1.4
419.22760	1.9
429.17401	2.6
430.17734	2.3
431.18875	3.0
431.23404	1.3
443.18954	2.7
444.19623	2.9
445.20096	10.4
446.21259	3.2
447.22025	2.8
455.18491	1.0
457.20767	1.3
458.21466	0.9
459.22571	6.6
460.22955	2.7
461.23639	1.5
471.18021	1.1
473.19357	11.8
474.20657	7.2
475.21497	4.4
485.19943	1.1
487.21301	10.1
488.22110	8.3
489.23117	2.6
501.23209	1.4
505.22607	1.3
515.20593	1.4
519.23804	1.1
531.24591	0.9
533.22931	5.1
545.24902	1.4
547.24036	2.7
559.23822	2.7
560.24512	2.1
561.25055	20.0
573.25824	1.7
574.26233	1.3
575.26440	5.6
588.23859	1.3
593.28058	1.2
601.25281	1.0
605.27008	1.9
619.25928	2.7
620.26495	1.9
621.27197	6.5
633.27716	2.9
634.27881	2.1
635.28564	3.0
691.40405	3.1
819.34119	6.2
847.32208	1.3
847.59741	0.9
851.37598	2.0
879.36047	100.0
880.35883	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	878.641
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55845	1.7
66.81238	1.6
67.05498	3.0
68.76816	2.1
69.07064	4.0
69.85145	9.4
71.08635	90.3
71.35379	2.3
72.14838	1.9
73.06549	2.7
79.05488	3.2
83.08604	3.2
85.10187	100.0
87.04478	17.6
89.06039	85.4
91.05452	2.3
97.06511	3.9
97.10202	3.1
97.62840	2.0
99.11716	13.5
100.07615	3.0
103.07544	3.3
105.07000	2.5
107.07101	2.0
113.05980	2.3
117.09136	18.7
119.08570	2.8
130.08699	2.7
131.07045	7.6
133.08614	67.5
133.45676	2.3
141.16408	11.5
144.98416	1.8
146.08118	7.6
163.26231	1.8
175.09625	5.6
176.27252	1.8
177.11243	30.7
177.16086	1.8
191.53394	2.3
199.20605	35.3
219.12354	2.8
221.13805	7.7
232.35341	2.0
240.23439	3.1
257.24759	32.8
258.24884	2.0
283.17725	3.1
309.18930	3.0
335.90509	2.5
492.48367	2.1
547.33124	12.9
576.37415	2.3
878.49609	2.2
878.64575	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.7
64.62623	0.8
65.03924	1.2
67.05177	1.4
67.05510	18.8
68.99781	2.4
69.03429	13.9
69.07072	69.0
69.36120	6.5
70.06574	1.2
71.04996	9.3
71.08642	1.6
73.02920	3.6
73.06557	1.8
75.54180	0.9
79.05502	16.1
80.70978	0.7
80.71450	0.8
81.03424	20.8
81.07061	26.1
83.04986	7.2
83.08624	15.4
85.02913	23.7
85.03434	1.1
85.06525	3.1
87.00842	11.4
87.04475	10.1
87.08097	2.4
89.06037	74.9
91.05492	5.1
93.07049	35.5
95.04979	4.2
95.08612	23.2
97.02901	9.7
97.06541	32.2
97.10165	2.6
99.04448	7.8
99.08095	2.0
101.06018	2.3
103.03949	1.2
103.07570	1.8
105.01870	4.8
105.07022	2.2
107.07062	1.7
107.08604	31.8
109.02895	16.8
109.10162	12.0
111.04428	1.7
111.08094	8.9
111.11727	9.2
113.05992	0.9
115.03959	0.9
115.07552	2.7
117.01829	2.1
117.09144	4.6
119.08604	1.4
121.06536	1.0
121.10162	2.5
123.11677	1.3
125.13293	1.4
127.03931	16.9
129.01828	1.5
129.09142	1.6
129.12799	0.8
130.08705	1.0
131.04927	1.0
131.07040	4.0
133.08618	57.5
133.10182	2.8
135.11702	73.3
139.11177	3.1
145.04956	3.0
145.10065	1.3
147.02939	1.3
147.04462	1.1
148.37456	0.9
149.06108	1.4
149.13269	1.7
153.07024	1.0
153.12752	92.1
157.12253	1.9
159.02878	5.7
167.07080	2.4
171.13809	100.0
173.67122	0.9
175.09619	3.8
177.11234	26.5
179.14513	0.8
183.13742	0.9
189.14928	1.5
191.12718	1.7
197.15384	43.9
211.16914	5.4
212.16461	1.9
213.03937	2.3
213.14944	1.4
215.16447	10.0
219.12291	1.7
221.13826	7.9
227.16435	1.1
229.18004	42.4
231.04951	2.4
239.14899	2.4
247.19016	2.5
255.19565	2.6
257.21054	1.0
259.19089	2.7
263.15009	0.9
263.81006	0.9
265.16455	1.8
283.17429	3.9
286.04715	1.2
287.22177	10.0
301.07111	1.1
303.21570	1.5
309.19235	4.7
327.20163	37.2
347.24164	1.9
367.23309	8.4
385.24377	10.9
386.68805	0.9
391.26700	1.6
425.27371	3.7
479.32086	5.7
537.36450	2.4
574.72595	1.0
595.40021	4.2
613.41791	7.8
631.17157	1.0
878.48718	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	873.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
65.80718	0.1
68.99820	0.3
69.03436	2.4
71.01363	0.2
71.04997	5.2
73.02908	0.4
73.03286	0.1
75.04462	0.2
79.05510	0.2
81.03417	0.6
83.01358	0.1
83.04991	1.1
85.02911	7.9
87.04482	0.8
91.05486	4.2
95.04970	0.3
97.02293	0.2
97.02898	2.6
97.06511	0.1
99.04463	0.3
105.03403	0.2
107.04968	0.4
109.02843	0.4
109.06503	0.1
111.00832	0.4
111.04475	0.7
114.69657	0.1
115.03934	1.2
117.05492	0.1
119.04951	10.2
121.02866	1.8
123.04485	0.1
125.02357	0.1
125.06100	0.1
127.03910	0.6
129.05481	1.6
133.02867	0.4
133.04939	0.5
135.04446	0.1
137.02354	0.5
137.06003	0.1
139.03900	0.1
145.04945	0.4
145.06471	0.2
147.04419	61.1
148.04807	0.4
149.04478	0.2
149.05971	0.1
149.71130	0.1
151.03932	0.1
153.01837	2.5
153.05434	0.2
157.06505	0.3
159.07994	0.1
161.06004	0.2
165.01833	1.3
165.05490	2.5
169.06548	0.1
171.04404	0.1
171.06540	0.3
173.05957	0.1
175.03923	0.1
183.02934	0.7
185.05974	0.4
187.07587	0.1
189.05525	0.2
189.07599	0.1
197.06053	0.2
201.05487	0.1
203.07092	0.2
207.06598	0.2
213.05473	0.9
225.07648	0.3
231.06448	0.7
241.04933	0.7
243.06467	0.1
243.08679	0.3
257.08170	0.1
258.05273	0.9
259.06021	0.4
261.07352	0.1
261.09781	0.4
269.04507	0.2
273.07669	0.1
275.09058	0.4
279.08578	0.2
286.04855	0.1
287.05511	100.0
288.05826	1.1
291.08539	0.7
293.10275	0.6
299.05603	0.3
309.09708	2.8
329.06601	0.5
419.09848	0.2
455.15237	0.1
577.13458	0.6
595.14368	0.4
686.11835	0.1
723.19922	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	873.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.6
68.99493	0.1
68.99823	0.3
69.03081	0.2
69.03435	2.4
69.03813	0.1
69.07056	0.1
69.19641	0.8
71.01357	0.1
71.05000	4.6
71.54702	0.1
73.02918	0.3
75.04470	0.3
76.58776	0.1
79.05504	0.2
81.03419	0.4
83.01337	0.1
83.04992	1.0
85.02913	6.8
87.04460	0.7
91.05486	4.9
95.04986	0.2
97.02905	2.3
97.03524	0.2
97.06519	0.1
98.21517	0.2
99.04462	0.5
101.02362	0.1
103.03912	0.1
103.05529	0.1
105.03408	0.1
107.04955	0.4
107.08580	0.1
109.02877	0.3
111.00800	0.5
111.04451	0.9
113.02390	0.1
113.06104	0.1
115.03938	1.2
115.05460	0.1
117.05542	0.1
119.04954	12.0
121.02880	2.0
123.04467	0.2
125.02399	0.1
127.03921	0.5
129.05486	1.6
129.07002	0.1
133.02847	0.3
133.05000	0.6
133.06525	0.2
135.04428	0.1
137.02341	0.5
137.05988	0.1
139.03949	0.2
141.06976	0.2
145.04968	0.2
145.06509	0.2
147.04422	56.8
148.04753	0.6
151.03905	0.1
153.01839	2.1
153.05479	0.1
157.06517	0.2
161.05994	0.2
165.01854	1.2
165.05524	0.8
169.06526	0.2
171.04395	0.2
171.06546	0.4
177.05461	0.1
183.02945	0.6
185.05977	0.4
187.07565	0.1
189.05441	0.5
197.06003	0.2
201.05511	0.2
203.03456	0.1
203.07098	0.3
207.06549	0.2
213.05492	1.1
215.07095	0.2
225.07600	0.5
231.06514	0.8
241.04897	0.5
243.06480	0.3
243.08713	0.3
258.05237	0.7
259.06052	0.3
261.07321	0.2
261.09970	0.5
269.04474	0.1
273.07510	0.2
275.09152	0.3
279.08420	0.5
286.04706	0.2
287.05515	100.0
288.05826	1.3
291.08670	1.0
293.10251	0.8
299.05545	0.1
309.09766	1.9
329.06555	0.4
345.09647	0.1
351.29028	0.1
353.06403	0.1
395.07660	0.1
419.09747	0.2
419.41107	0.1
437.14752	0.1
449.11227	0.1
577.13220	0.4
595.14429	0.3
656.74713	0.1
761.41455	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	873.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.4
65.03941	0.7
67.05510	0.1
67.58966	0.1
68.99488	0.1
68.99818	0.3
69.03434	3.1
71.01364	0.3
71.05002	5.4
73.02925	0.4
74.61915	0.1
75.04490	0.4
79.05509	0.2
81.03421	1.0
83.04995	1.4
85.02915	14.6
87.04493	0.9
91.05492	4.6
94.04224	0.1
95.04976	0.3
97.02906	3.9
97.06548	0.2
99.04447	0.8
101.02427	0.1
103.05484	0.1
105.03395	0.3
105.07042	0.1
107.04992	0.5
109.02889	1.1
110.34534	0.1
111.00823	0.7
111.04456	1.2
113.02409	0.1
113.06021	0.2
115.03938	1.9
119.04960	11.6
121.02878	2.1
121.03742	0.2
121.06483	0.2
124.11419	0.1
127.03934	1.2
129.05492	1.7
133.02876	0.5
133.04982	0.8
135.04469	0.2
137.02341	0.6
137.05936	0.2
139.03903	0.2
143.07156	0.1
145.04980	0.9
145.06583	0.2
147.04428	57.9
148.04738	0.5
149.04504	0.1
149.05951	0.1
151.07581	0.2
153.01854	2.4
153.05492	0.3
157.05070	0.1
157.06522	0.3
161.05995	0.3
163.03969	0.1
165.01857	1.3
165.05482	1.5
167.07077	0.1
169.06445	0.2
171.04424	0.5
171.06543	0.4
177.05508	0.2
179.07076	0.2
183.02896	0.7
185.06009	0.3
189.05562	0.4
189.07503	0.1
197.06087	0.2
207.06586	0.3
213.05556	1.2
225.07661	0.4
231.06572	0.7
241.04961	0.6
243.06537	0.2
243.08694	0.6
257.08081	0.1
258.05292	0.8
259.06094	0.2
261.07434	0.1
261.09854	0.9
269.04428	0.1
275.09265	0.3
279.08472	0.2
279.10980	0.3
286.04727	0.2
287.05527	100.0
288.05875	1.3
291.08688	0.3
293.10303	0.5
299.05545	0.7
301.07120	0.2
309.09717	2.5
329.06561	0.3
353.06610	0.2
365.06439	0.2
395.07251	0.2
413.08881	0.1
419.09418	0.2
431.09537	0.2
449.10663	0.2
455.15424	0.3
587.19696	0.2
595.14404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93945	1.1
71.70633	0.2
73.34085	0.2
79.11591	0.3
112.74853	0.3
115.05499	0.4
143.17577	0.3
144.08116	0.6
160.05267	1.0
161.05968	2.0
171.08076	0.4
189.09201	0.7
211.12155	0.3
221.10774	0.5
223.12379	0.6
225.13959	0.7
229.55771	0.3
234.11618	0.5
236.13025	0.3
237.14015	0.4
238.14748	0.4
247.12344	0.6
249.14043	0.8
250.14784	0.5
263.15479	0.5
334.13568	0.3
337.15933	0.3
366.16049	0.5
400.17926	0.4
401.17850	0.9
402.18716	0.4
403.19321	0.7
415.19553	1.8
416.20120	0.9
417.21017	1.7
418.22107	0.5
428.17035	0.4
429.17142	1.4
429.21295	1.2
430.21786	1.2
431.18158	1.0
431.23386	3.1
432.23236	0.9
433.24155	2.4
443.18149	3.0
444.19601	2.7
444.24469	0.7
445.20416	4.0
445.24908	1.6
446.20084	0.4
446.25226	1.0
447.26138	0.4
456.20291	0.5
457.20209	3.1
458.20776	3.3
459.21637	19.0
460.22507	7.3
461.23398	2.8
471.22061	0.7
472.22989	1.7
473.23404	16.0
474.24219	9.9
475.25290	2.8
487.25793	3.2
489.23105	0.5
491.24548	0.3
492.25293	1.0
500.22690	0.3
501.22034	1.3
505.26828	0.5
506.26788	0.5
515.24805	0.5
517.21826	0.5
518.23395	0.4
519.23297	5.4
531.24347	0.8
532.25134	0.6
533.25391	6.2
545.25659	2.4
546.26306	1.0
547.27112	21.0
548.27173	0.7
559.27020	1.6
560.28015	2.5
561.28638	4.6
563.26410	0.4
573.24963	0.4
574.25867	0.6
587.26666	0.8
589.27832	0.4
591.25665	1.7
605.27832	2.8
606.28284	2.6
607.29279	3.2
619.29205	2.5
620.29828	4.2
621.30408	1.7
627.35229	0.3
649.30768	0.4
782.36182	0.4
805.35919	4.6
833.35413	0.4
865.38123	100.0
866.38586	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	871.319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.7
71.16145	0.8
76.16833	0.9
76.64715	0.8
79.05511	1.6
81.07085	1.7
93.07056	0.8
102.05126	0.7
109.10231	0.9
127.29188	0.7
141.88028	0.8
146.08217	1.1
148.49472	0.9
205.73433	0.8
339.32401	0.8
353.17279	0.9
401.17828	1.4
402.18982	0.9
415.19315	1.3
417.20862	1.4
419.22693	1.1
421.24060	1.6
427.19254	1.1
428.20251	1.1
429.20978	2.3
431.22794	1.7
433.24142	2.1
443.22717	2.0
444.23743	1.2
445.20404	2.9
457.19876	1.0
459.21826	2.8
460.22491	5.6
461.23557	2.2
471.22037	1.0
472.22995	1.8
473.23642	2.0
483.21918	1.6
484.23093	1.3
485.23593	3.3
487.25043	1.9
491.24606	1.0
492.25439	1.1
497.23358	1.2
501.23566	1.0
505.21860	1.2
506.26907	1.5
507.27826	1.1
511.21683	1.9
545.25885	5.2
546.26178	1.5
549.23401	1.1
553.22534	1.5
573.25134	2.3
681.25543	1.0
697.26813	1.6
701.78839	0.9
793.29022	2.4
807.27179	1.6
811.29919	2.9
821.27222	0.9
839.29352	23.3
853.30481	0.9
871.31854	100.0
872.32367	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	865.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05437	0.2
69.19111	0.6
69.19537	1.1
81.06977	0.3
89.05945	0.2
91.05389	0.2
93.06950	0.2
94.06472	0.2
105.06955	0.3
115.05315	0.5
118.06438	0.2
120.08051	0.3
123.86178	0.2
127.20624	0.1
128.06117	0.3
131.08562	0.2
132.07910	0.2
133.06357	0.2
133.08521	0.2
142.84648	0.2
143.08424	0.3
144.07976	0.4
146.05838	0.2
160.05225	0.9
161.05989	2.6
183.02776	0.2
189.08972	0.6
195.09081	0.2
196.09621	0.2
197.10544	0.4
199.07381	0.2
204.06413	0.2
207.09076	0.2
208.09772	0.2
209.10596	0.4
210.11353	0.3
211.12236	0.3
221.10602	0.6
222.11310	0.3
223.08565	0.3
223.12151	0.4
224.12932	0.3
225.10165	0.3
225.13844	0.9
233.10495	0.3
234.11494	0.3
235.08548	0.2
235.12166	0.6
236.12900	0.2
237.10187	0.3
237.13718	0.7
238.14560	0.3
239.15247	0.4
247.12302	0.4
249.09915	0.5
249.13922	1.0
250.14218	0.3
251.08026	0.4
251.11787	0.2
251.15236	0.6
259.12326	0.2
261.10034	0.2
261.13489	0.3
262.14685	0.3
263.11838	0.3
263.15497	0.4
275.15295	0.2
276.16040	0.2
277.09515	0.3
295.18808	0.2
298.13550	0.3
300.14981	0.2
309.12503	0.3
310.13226	0.2
312.15024	0.2
314.16373	0.2
322.12964	0.2
324.14902	0.4
325.94595	0.2
326.12772	0.2
326.16360	0.3
328.18015	0.3
340.14346	0.2
340.18112	0.3
342.15829	0.2
352.14380	0.4
366.15869	0.5
380.17480	0.3
387.15915	0.3
389.17715	0.4
392.17633	0.2
400.16669	0.2
401.17645	1.0
402.18234	0.6
403.19278	1.1
405.20734	0.3
408.58740	0.2
413.18842	0.3
414.18661	0.4
415.19638	1.5
416.20190	1.6
417.20966	2.7
418.21808	1.0
419.22104	0.6
420.23346	0.2
427.16077	0.2
428.15854	0.2
429.15970	2.3
429.21222	1.2
430.17224	0.8
430.21524	1.7
431.18005	1.4
431.22256	2.7
432.18353	0.2
432.23016	0.8
433.24133	2.8
434.24603	0.4
441.17896	0.5
442.18384	0.3
443.18079	3.6
444.18561	3.4
445.19254	5.5
445.24814	1.3
446.19864	1.2
447.20813	0.4
447.25653	0.7
449.23492	0.3
456.20697	0.6
457.20090	2.9
458.20850	3.3
459.21674	23.2
460.22568	10.0
461.23499	3.2
471.22589	1.0
472.22784	1.9
473.23431	17.0
474.24237	7.6
475.25339	3.0
476.21954	0.3
477.22931	0.5
485.18900	0.4
486.20724	0.4
487.24741	2.5
488.25943	0.3
489.22665	0.7
490.23889	0.2
491.24524	0.6
492.25293	1.8
499.20676	0.4
500.21936	0.3
501.22522	1.5
503.19742	0.3
503.25119	0.2
504.25418	0.3
505.22015	0.7
505.26437	0.6
506.26556	0.5
513.23010	0.3
515.24316	0.6
517.22736	0.8
518.23120	0.6
519.23450	6.6
520.24689	0.4
529.25043	0.2
531.23932	1.7
532.24219	0.9
533.25409	7.5
534.26068	0.4
545.25470	2.5
546.26434	1.2
547.27100	24.0
548.27637	0.8
559.27161	1.7
560.27789	1.8
561.28699	4.7
563.26367	0.4
573.24640	0.5
574.25885	1.0
576.23047	0.2
577.27600	0.5
587.26709	0.7
589.27704	0.5
591.25989	2.2
592.30530	0.2
605.27655	3.2
606.28339	3.0
607.29156	3.9
619.29230	2.9
620.29999	5.6
621.30566	1.9
647.28894	0.6
649.30145	0.5
805.35876	1.8
833.35693	0.5
847.38190	0.2
865.38098	100.0
866.38452	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	864.6253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.5
69.07053	2.4
71.08640	42.4
73.02905	1.9
73.06221	0.8
73.06564	7.3
79.05468	1.0
81.03422	1.0
81.07057	1.7
82.85407	0.7
83.04948	0.9
83.08610	1.4
85.02888	0.8
85.10193	33.5
87.04479	22.8
89.06041	100.0
91.07568	1.4
93.07053	1.2
95.04986	0.8
95.08653	0.8
97.10143	1.3
99.11733	5.4
103.07603	5.6
107.07078	2.4
107.12423	0.9
109.10134	0.8
113.13278	1.7
117.09138	6.6
130.08629	3.7
131.07071	7.9
131.08524	1.0
131.10692	1.1
133.08618	83.4
135.10135	1.0
136.06190	4.0
153.74474	1.0
155.17946	3.4
159.10149	0.9
161.11755	2.6
175.09680	7.1
177.11243	34.0
193.12244	1.0
200.38924	0.9
213.22108	4.2
219.12292	2.3
221.13869	7.5
257.24643	5.4
265.16455	2.4
283.17715	1.5
309.19080	2.4
313.27405	1.0
314.27780	0.8
327.20111	0.8
334.38815	0.9
353.21704	1.3
556.95734	1.0
635.38342	4.5
675.41498	1.3
744.80243	0.9
847.58649	1.5
864.46448	4.0
864.62103	6.5
876.83734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.6258
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09884	1.1
69.03419	1.1
69.07056	2.6
69.54093	1.0
70.17339	2.7
70.17735	2.5
71.08640	82.8
72.05359	1.1
73.02918	1.8
73.06536	3.8
77.37695	1.0
79.05489	1.7
81.07053	2.3
83.08616	3.7
85.10190	88.3
87.04477	22.6
89.06039	100.0
95.08611	1.3
97.00662	1.2
97.10170	1.1
99.11746	10.2
101.09647	1.7
103.07598	1.7
105.07022	1.4
107.07037	1.6
113.05994	2.3
113.59904	1.1
117.09149	7.7
130.08653	3.4
131.07060	7.5
133.08618	80.7
133.13455	1.1
141.16386	8.5
161.11670	2.0
168.39105	1.0
175.09700	7.7
177.11241	36.8
182.50325	1.3
199.20595	22.3
213.18808	1.3
219.12247	2.7
221.13882	6.2
237.13240	1.3
239.15001	1.3
240.23224	1.9
257.24811	11.5
264.55225	1.0
265.16534	2.3
283.17557	2.8
309.19003	1.8
353.02847	1.3
353.21591	2.0
382.82809	1.5
397.24271	1.7
426.93073	1.0
459.28339	1.2
591.36047	11.1
797.75464	1.3
864.63129	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	860.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02851	6.9
65.03889	1.3
67.05421	20.0
67.05822	2.4
69.03342	2.1
69.06984	4.6
69.62666	1.2
69.63073	3.1
71.04931	1.5
73.02832	3.0
79.05404	17.4
81.03326	18.1
81.03857	1.9
81.06966	20.4
81.07475	1.8
83.04890	3.0
83.08524	6.4
85.02811	6.0
85.06477	1.1
86.06510	0.7
88.07264	0.9
91.03876	2.1
91.05385	22.0
93.06951	18.8
93.07584	1.3
93.34899	0.6
95.04870	7.9
95.08508	13.9
97.02802	5.9
97.06461	1.9
97.10061	2.0
98.20853	1.5
99.04399	1.0
103.05407	1.0
105.07046	11.9
107.04865	3.5
107.08608	7.9
109.06419	2.6
109.10175	6.4
111.04292	0.8
111.07987	3.0
115.05365	1.7
117.07049	3.6
119.04828	4.0
119.08593	9.5
121.06393	2.1
121.10169	8.4
123.04465	4.9
123.07998	1.5
123.11604	1.8
125.09582	0.8
127.03832	1.1
128.06169	1.1
129.07019	4.4
131.04948	1.3
131.08586	9.0
133.06381	2.8
133.10156	6.3
135.04401	3.5
135.11581	2.9
136.06198	4.4
137.05997	24.6
137.06964	0.9
137.09608	0.8
141.06895	0.8
143.08485	1.1
145.06468	4.3
145.10056	1.9
147.04411	5.7
147.07959	3.1
147.11673	4.7
149.05978	4.9
149.09636	5.3
149.13235	0.8
151.07503	0.8
155.08525	0.7
157.06473	1.2
157.10030	3.2
159.07964	2.9
161.06017	9.3
161.13231	1.0
163.07565	4.0
163.11020	0.8
165.12614	0.8
171.07950	1.5
173.05998	5.8
173.09549	0.8
175.07593	7.1
175.11154	3.6
177.09061	0.9
182.92560	0.8
183.08018	1.4
185.05928	0.9
185.09523	0.9
187.07568	6.1
189.09012	3.0
193.12309	6.6
195.07848	1.1
195.13776	1.3
197.09494	1.4
199.07443	2.5
201.08902	3.2
211.13258	3.1
213.09091	1.4
227.10562	0.9
237.09061	0.8
257.15485	4.9
285.14859	5.3
297.14819	0.8
302.17502	7.1
303.15860	2.6
311.16302	2.3
328.19031	0.7
329.17422	7.8
335.25858	6.0
341.17349	1.2
346.20203	6.4
347.18408	2.1
365.32111	0.8
376.21039	1.2
402.22650	1.0
420.23737	4.8
509.18265	1.4
582.28680	1.3
654.43536	1.0
680.45392	3.7
698.46326	100.0
699.46863	2.3
732.07068	0.8
740.46924	1.5
776.48212	1.2
824.49579	4.0
842.50494	5.8
860.51575	78.0
861.50952	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	864.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	15.5
68.99804	1.5
69.03440	10.9
69.07078	51.0
70.06593	2.0
71.05002	6.4
71.08630	1.5
73.02920	3.7
73.06544	3.7
79.05125	1.2
79.05505	11.1
81.03432	14.8
81.07077	18.0
83.04990	4.6
83.08632	14.5
85.02431	1.6
85.02914	17.1
85.06554	5.1
87.00846	6.5
87.04489	11.9
87.08141	0.9
89.06046	90.0
91.05500	3.4
93.07056	24.1
95.04986	0.9
95.08067	1.3
95.08625	17.2
97.02907	9.0
97.06545	22.8
97.10162	1.8
99.04465	8.9
99.08128	1.4
99.20129	0.9
101.06034	1.6
103.03986	2.2
103.07572	3.3
105.01875	3.4
105.07047	1.8
107.07075	1.9
107.08611	23.3
109.02889	11.7
109.10177	10.8
111.08089	7.2
111.11736	5.2
113.06030	1.8
115.07607	2.2
117.01840	1.9
117.09135	2.5
121.10148	2.5
125.25438	1.0
127.03947	12.8
129.01881	1.8
130.08675	2.2
131.07027	5.2
131.10699	0.9
133.08624	67.3
135.11717	52.5
139.11195	3.3
145.04958	2.7
147.04405	1.3
149.05992	1.2
153.12769	57.0
157.12259	3.3
159.02890	5.7
161.11818	1.0
171.13831	40.2
175.09683	3.6
177.05464	1.1
177.11241	36.6
183.13817	2.5
197.15404	100.0
211.16960	1.9
213.04004	0.9
213.14865	1.8
215.16460	19.1
219.12279	1.3
221.13902	8.5
229.18024	5.5
239.14980	1.9
241.18034	1.5
255.19580	8.3
259.19055	5.0
265.16556	4.5
273.20615	5.0
283.17520	4.6
301.06967	2.0
303.21637	4.1
309.18988	1.5
327.20090	5.1
329.23218	2.2
336.67444	0.9
347.24396	4.5
353.21829	5.1
371.22800	34.3
391.26987	2.8
405.27530	1.0
411.26010	8.8
435.29440	2.5
479.32159	2.9
523.34784	8.2
541.35669	1.9
581.39038	12.6
599.40027	13.0
736.42236	1.0
754.24237	1.2
844.95569	1.1
864.48248	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.9
65.03928	4.4
67.05512	100.0
69.03426	5.2
69.07068	18.1
71.04999	4.5
71.43740	3.6
73.02935	3.3
79.05498	48.4
81.03435	7.1
81.07063	61.4
83.04984	7.9
83.08637	18.1
85.02913	8.5
85.06541	4.3
87.04469	5.5
88.76074	2.2
91.05490	27.3
93.07050	48.0
95.04981	4.1
95.08617	40.2
96.52512	2.3
97.02889	4.6
97.06532	5.0
97.10172	14.9
105.07042	17.1
107.05009	3.1
107.08593	27.7
109.06572	2.8
109.10162	66.3
111.08074	3.7
111.11741	3.5
117.07037	9.4
119.08589	16.7
121.10162	18.1
123.11713	5.3
125.09620	13.3
131.08583	14.2
133.10143	10.8
135.11713	13.6
137.09634	4.2
143.10677	2.8
145.10138	10.9
146.08047	2.9
147.11682	5.7
149.13269	7.0
153.12700	3.8
155.10675	5.6
159.11703	3.7
163.11267	10.8
163.14813	3.9
173.11774	15.8
173.13168	4.3
191.10663	2.8
199.13329	7.1
202.16963	2.2
209.11777	6.5
227.12828	9.9
229.14374	49.8
232.71973	2.8
243.21162	4.9
261.22131	16.0
283.15347	2.7
296.80640	2.4
301.16510	19.2
317.24808	3.7
330.21420	2.2
335.25824	98.2
401.25247	11.5
477.35626	7.5
489.35751	22.9
561.37909	6.9
579.38507	3.6
661.46674	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	856.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.1
67.05512	100.0
69.03423	6.2
69.06734	1.8
69.07076	25.4
70.63638	3.0
70.63977	2.1
71.04994	12.7
71.08649	1.7
73.02939	2.4
77.03892	2.3
79.05501	67.6
81.03424	9.7
81.07067	96.3
83.04990	7.4
83.08621	16.2
85.02889	2.4
85.06547	3.2
85.10138	1.6
91.04910	2.4
91.05489	50.4
93.07054	80.8
95.04983	8.1
95.08619	54.0
97.02901	3.2
97.06535	12.9
97.10191	7.9
99.04482	1.3
99.08103	3.2
105.04526	2.0
105.07043	34.6
107.04945	5.3
107.08605	50.5
109.06531	4.7
109.10166	37.2
111.04465	1.6
111.08064	5.9
115.05461	2.6
116.07087	2.2
117.07025	18.2
119.08591	29.3
121.06477	2.4
121.10149	31.6
123.08033	4.0
123.11720	7.4
125.09628	2.6
129.05505	2.3
129.07014	6.6
130.27078	1.3
130.40331	1.6
131.08586	23.3
133.06528	1.8
133.10155	24.5
135.08095	3.6
135.11694	17.1
137.09618	3.9
143.08563	4.4
145.10132	14.3
147.11670	13.8
149.09612	6.0
149.13271	13.1
153.12772	1.8
155.08525	2.5
157.10118	5.8
159.11691	14.8
161.13263	6.7
163.11205	6.1
163.14871	3.1
165.12717	1.9
169.10129	3.8
171.11754	2.2
173.11769	5.1
173.13263	8.0
175.14819	4.1
177.12721	3.7
179.14343	1.5
183.11705	1.6
185.13246	4.0
187.14827	3.1
189.11179	2.2
195.13837	1.6
199.14760	2.9
201.16412	2.0
217.15733	1.8
227.12804	4.2
229.14371	25.9
239.18080	2.1
243.21089	3.0
257.19006	5.9
261.22159	11.2
267.16071	3.1
269.17508	12.1
275.20096	19.6
293.20978	2.3
309.20605	2.6
335.25830	89.6
336.26163	2.3
336.57983	1.4
339.18057	3.9
348.85620	1.6
349.23810	16.7
363.24561	2.0
379.20706	1.6
381.26358	3.2
395.20648	1.6
413.21722	6.0
437.33813	3.1
489.35834	17.6
507.37155	1.8
511.38040	2.3
527.38422	2.3
529.38934	91.8
561.37805	2.5
569.42059	27.1
609.45215	32.9
627.46075	4.7
641.47882	12.8
673.42859	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.3
64.89900	1.6
65.03944	5.4
67.05512	99.7
69.03434	3.9
69.07078	19.5
71.01343	1.8
71.04996	4.1
71.12718	3.7
71.59710	1.5
73.02901	2.9
79.05499	41.4
81.03427	7.7
81.07066	66.0
81.45045	1.9
83.04974	5.4
83.08632	17.1
85.02923	14.0
85.06517	2.8
85.51273	1.7
87.04467	3.8
91.05491	27.5
93.07054	47.9
95.04972	4.6
95.08622	44.6
97.02905	4.6
97.06548	4.7
97.10181	15.5
99.08113	2.0
105.07049	13.0
107.04961	3.1
107.08612	24.2
107.74187	1.8
109.06579	2.5
109.10168	60.0
111.08088	4.9
111.11710	2.2
117.07027	6.9
119.08591	14.6
121.10143	17.8
123.11693	4.7
125.09629	12.0
129.05540	2.2
131.08557	9.6
133.10146	10.2
135.11697	14.1
136.02837	2.0
137.09703	3.0
143.08578	1.7
143.10677	1.8
145.10129	9.6
147.08141	1.7
147.11687	6.5
149.11702	1.6
149.13261	6.1
150.90759	1.5
153.12758	2.8
155.10696	4.1
159.11697	6.4
161.13280	5.4
163.11212	6.2
163.14841	1.9
171.11668	2.3
173.11755	15.2
173.13286	4.0
175.14864	1.9
181.12260	2.3
191.10710	1.8
199.13277	5.4
209.11748	6.2
224.59132	1.6
227.12793	6.0
229.14375	52.5
243.21169	6.4
257.13757	1.7
261.22116	19.7
267.16025	2.7
301.16498	9.2
317.24850	3.8
335.25833	100.0
340.95917	1.8
365.10275	1.8
399.23706	13.1
406.43463	1.9
477.35919	9.5
489.35846	21.3
506.98358	1.7
543.36243	2.3
561.37970	8.2
579.38879	4.1
659.45154	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	853.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77650	0.7
60.70227	0.7
61.02936	6.7
65.03963	0.9
67.05502	7.1
67.93887	0.8
69.03432	3.8
69.07070	1.0
71.01334	1.0
71.04996	0.8
71.08625	1.1
71.52182	0.7
71.52541	0.8
71.96223	0.7
72.76197	0.7
73.02930	4.5
79.05504	3.1
81.03436	2.7
81.07067	3.4
85.02914	6.3
89.06033	1.7
91.03954	4.7
91.05499	2.8
93.07051	4.2
95.08624	2.8
97.02888	6.9
97.10230	0.9
99.04478	1.1
101.02386	1.6
105.07064	1.1
106.98749	0.7
107.08619	1.4
109.02897	1.2
109.10175	4.5
119.08607	1.6
121.10191	1.7
127.03968	2.6
131.08595	1.0
135.11685	0.9
135.43567	0.8
173.11806	2.0
173.41734	0.9
185.04280	1.7
194.10709	0.8
243.08507	2.4
271.67358	0.8
304.43655	0.8
347.09750	2.7
359.45404	0.8
365.10730	1.3
405.13583	6.6
413.17902	6.7
441.61255	0.8
519.29358	6.8
575.23035	4.5
585.78967	0.9
681.34680	6.8
691.40356	1.6
748.76538	0.8
853.45526	100.0
854.45575	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	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.8
62.49448	1.6
65.03922	2.6
67.05505	53.1
69.03438	10.7
69.06730	2.6
69.07072	37.7
70.68613	1.6
74.94971	1.7
79.05499	44.4
81.03412	7.6
81.06593	3.1
81.07059	51.9
83.04981	10.2
83.08617	14.4
85.02891	2.4
85.06535	2.6
91.05482	39.2
93.06485	2.6
93.07050	40.6
95.04990	11.9
95.08623	23.6
97.02898	9.9
97.06532	10.3
97.10159	18.4
98.20763	5.6
99.08067	1.9
105.07034	30.1
107.04961	12.4
107.08607	31.9
109.02813	2.7
109.06510	5.9
109.10182	14.5
111.04430	2.0
111.08091	5.2
115.05423	1.9
116.07087	2.4
117.07030	13.3
119.04926	2.1
119.08572	23.0
121.06474	6.0
121.10152	12.0
123.08054	5.8
123.11700	3.0
125.09631	15.2
127.03905	2.3
129.06996	8.0
131.08563	17.2
133.06435	3.1
133.10149	16.7
135.08046	7.5
135.11696	7.9
137.09547	1.8
143.08543	6.3
145.06522	1.8
145.10141	12.8
147.08054	7.6
147.11697	10.2
149.09651	10.2
149.13280	8.1
151.11099	2.6
152.05635	1.9
153.09088	2.4
155.08527	2.0
157.10072	5.6
159.11694	10.6
161.09601	4.9
161.13312	4.3
163.11153	5.6
169.12256	1.7
171.11632	4.0
173.13297	3.5
175.11171	4.2
175.14717	1.8
177.12714	2.9
179.14374	2.4
185.13283	2.6
189.11238	6.3
189.36998	1.7
195.13786	4.8
205.12270	3.2
223.13278	18.2
227.12759	15.2
239.17979	2.2
245.19160	2.1
249.14816	2.0
253.14360	4.1
255.15994	7.0
257.19055	8.2
269.17468	16.6
273.18451	17.7
275.20053	24.0
291.19553	100.0
309.20596	2.9
343.23782	2.0
347.22385	2.8
349.23761	22.7
365.23260	42.9
367.24506	1.9
413.21500	2.2
438.31195	1.7
519.33032	3.1
535.32959	2.6
541.35059	2.6
543.36542	1.9
545.34576	14.1
559.36353	49.2
639.42493	32.9
657.43665	3.1
723.81909	1.8
854.44995	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	848.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04717	2.3
59.05003	39.7
61.13536	1.1
63.66319	1.0
67.05498	1.5
69.07056	2.7
70.63716	2.5
71.08636	100.0
73.02912	1.5
73.06535	2.5
74.53346	1.3
79.05411	1.1
81.07045	1.3
82.06626	1.1
83.08615	3.6
85.10186	76.6
87.04476	16.3
89.06035	63.9
89.06520	1.0
91.05459	1.4
93.07036	1.2
97.10172	5.4
99.11736	15.5
100.07619	4.4
101.09646	3.9
103.07577	1.4
109.44415	1.1
113.13283	5.1
117.09138	16.0
119.08566	1.5
121.10107	1.3
130.08585	2.5
131.07025	6.0
133.08611	53.4
146.08138	7.1
146.54283	1.0
150.03474	1.1
150.80441	1.1
155.17924	11.5
164.26221	1.1
174.47701	1.1
175.09677	4.1
177.11227	21.6
213.22160	25.9
221.13878	4.5
254.24774	1.9
271.26340	33.1
283.17444	2.4
327.20013	1.3
441.26620	1.3
449.68362	1.1
459.27969	1.4
503.30606	11.5
543.33429	2.0
561.34607	2.0
848.63751	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	849.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.1
65.42072	0.1
67.05492	0.6
69.03436	1.2
69.42702	1.1
79.05531	0.2
81.03414	0.8
81.91583	0.2
82.04198	0.4
83.04977	0.1
85.02909	1.3
91.05496	0.3
93.03408	0.2
95.04959	0.6
97.02899	0.8
97.06524	0.6
107.04939	0.2
108.02066	0.3
109.02913	0.4
109.72700	0.2
110.03661	0.6
111.04436	0.4
116.40430	0.2
118.04153	0.4
119.04903	0.3
121.02799	0.2
121.10175	0.3
122.09496	0.2
123.04460	0.3
125.02361	0.2
125.06001	0.3
127.03955	1.0
137.02327	0.2
138.03088	0.5
140.03949	0.2
140.04709	1.7
142.02606	0.7
147.04399	0.3
153.05458	0.5
155.07086	0.8
157.06425	0.2
166.02605	0.3
167.07068	0.3
169.01347	0.5
171.06563	0.7
177.05455	0.3
177.16473	0.2
181.04968	28.5
182.05371	0.2
197.00906	0.2
199.06067	1.8
200.04601	0.2
207.06567	0.3
231.82745	0.2
237.05258	0.2
257.04425	0.3
266.06000	0.2
269.04425	1.8
272.03162	2.1
283.05969	1.6
284.06882	0.6
285.03873	0.3
287.05554	4.7
294.05188	0.2
297.03949	10.1
298.04517	0.2
299.05539	0.6
300.02621	0.8
301.07306	0.5
311.05493	1.1
312.06311	3.1
315.04993	40.8
316.05420	0.6
325.09207	0.7
327.08804	0.2
330.07361	9.4
343.10406	1.0
345.09705	100.0
346.10049	1.7
452.58359	0.2
816.19781	0.2
849.43604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03612	0.4
65.03938	5.9
69.03419	0.9
69.07052	0.5
69.33167	1.8
69.33581	0.8
70.06598	22.4
70.29025	0.4
71.08635	4.1
72.08148	0.6
74.06065	0.5
79.01869	0.3
79.05467	0.5
81.07057	0.6
82.92873	0.3
85.10179	1.1
88.07636	26.5
91.05463	0.5
93.03384	0.4
95.04960	0.5
98.20824	0.8
100.07577	0.4
102.09187	20.4
103.04544	0.3
105.03371	0.7
105.07015	0.4
111.40098	0.4
117.60907	0.3
121.02847	2.5
121.03822	0.4
126.67140	0.3
131.04955	0.9
132.02011	0.3
133.02907	0.6
133.32097	0.3
136.01566	0.5
139.03893	1.3
146.11757	0.4
147.04420	1.6
149.02356	87.2
149.03433	6.5
150.02692	0.5
152.96718	0.4
175.03911	2.5
177.05540	2.2
187.70021	0.4
191.07050	1.4
193.04967	45.4
194.05240	0.5
199.16937	0.5
212.23767	0.9
212.29988	0.4
219.06441	1.9
225.05481	0.4
237.07588	9.9
256.26367	64.4
257.26669	0.9
269.04419	0.6
297.04007	1.0
300.29028	1.3
313.07132	1.1
341.06589	3.5
343.08261	1.4
359.07651	1.7
385.09161	7.2
393.00201	0.4
411.10706	0.8
429.11963	2.0
446.22131	0.4
533.10852	1.3
577.13446	8.0
618.54504	0.4
621.16003	10.4
634.33752	0.4
640.34155	0.6
749.75360	0.4
832.39276	1.6
850.40088	100.0
851.40417	3.4
865.66827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04760	1.0
59.05007	11.2
61.51819	0.9
67.05504	7.6
67.67338	0.8
68.05837	1.4
69.03407	1.2
69.07050	2.5
71.05016	1.2
71.08636	41.5
73.02920	1.6
73.06561	4.7
79.05479	2.3
81.03429	1.9
81.07053	4.5
82.07362	0.9
83.04999	1.4
83.08616	2.4
85.02886	1.2
85.10188	36.1
87.03931	1.2
87.04475	22.9
89.06036	100.0
90.94183	0.7
91.05476	2.2
93.07042	3.1
94.23362	0.8
95.08600	2.8
97.02883	1.6
97.10167	1.2
98.21541	2.1
99.11709	2.3
99.78154	0.7
103.07562	5.2
105.07050	1.9
107.04980	1.7
107.07085	2.0
107.08624	1.6
109.10159	4.9
110.10498	0.8
113.05967	1.5
115.07590	0.8
117.09145	6.7
119.08590	1.5
121.10130	1.8
130.08629	2.4
131.07047	7.1
131.08612	1.2
133.08609	72.9
135.11717	1.1
139.85660	0.8
141.16373	3.4
143.08621	0.9
157.08728	0.8
161.11720	2.9
162.93300	0.8
173.11755	1.3
175.09642	5.3
177.11234	30.5
199.20628	3.9
219.12280	2.6
221.13802	7.1
223.15442	0.9
225.78416	0.9
227.12764	1.0
229.14365	2.7
230.14742	2.5
231.14990	0.8
243.23196	4.9
265.16547	1.9
283.17523	1.9
289.17953	1.8
291.19568	2.4
309.19073	1.1
327.20187	1.5
335.25830	2.0
336.26105	1.8
337.26520	1.5
353.21851	1.2
363.21722	1.2
365.23297	1.1
485.28836	0.9
489.35602	1.0
490.36282	1.8
491.36285	2.7
555.34296	0.9
591.35779	1.5
635.38715	5.4
653.39935	3.5
675.42102	0.9
833.58679	1.4
850.48145	1.0
850.61487	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	851.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.2
65.03918	0.2
69.03134	0.2
69.03438	2.2
70.71638	0.3
70.71964	0.2
71.01353	0.5
73.02924	4.5
81.03418	0.9
85.02915	3.7
91.03949	1.0
91.05484	0.3
95.04963	0.3
97.02895	2.9
98.90930	0.2
99.04454	0.4
104.75533	0.2
107.04939	0.2
109.02888	0.4
115.03937	1.7
119.04954	0.5
121.02873	1.0
123.04445	1.6
127.03938	1.0
129.09079	0.2
135.04495	0.3
137.02354	23.4
137.03407	1.6
138.03152	0.4
145.02933	0.2
145.04907	0.5
147.04451	0.9
149.02371	0.5
161.06013	0.8
163.03928	1.5
165.01848	0.3
175.03915	0.5
177.05475	0.4
179.07050	0.2
183.04349	0.3
185.05965	0.4
187.03900	0.4
189.05498	1.2
191.03429	0.7
197.06116	0.3
199.03848	0.2
200.04691	0.2
201.05516	0.5
207.02956	0.3
211.03896	0.2
213.05521	0.9
215.03448	0.7
216.04250	0.3
217.05063	0.3
228.04218	0.3
229.04973	1.6
230.05823	0.8
231.06482	0.4
237.05525	0.3
239.03465	0.4
241.05011	0.8
243.02835	0.3
245.04488	0.6
251.03444	0.3
253.05074	0.5
255.02924	0.8
256.03873	0.5
257.04483	1.9
265.05026	0.5
269.04507	0.7
270.05185	0.3
271.02383	0.7
273.03870	1.2
274.04788	0.4
281.04474	0.7
283.02603	0.3
283.06082	0.4
285.04083	0.3
287.07156	0.3
293.04562	0.4
293.08096	0.3
295.02518	0.2
297.03873	0.3
301.03436	0.5
302.04202	1.9
303.04987	4.5
307.06110	0.2
309.04025	0.4
311.05417	0.4
319.06149	0.3
325.03653	0.4
325.07172	0.3
331.06119	0.6
333.07639	0.8
335.05579	0.3
337.07040	0.5
339.05045	0.5
349.07111	0.8
350.07767	0.3
351.08661	0.9
357.07550	0.4
359.05328	0.4
360.06372	0.4
361.07187	1.0
365.06430	0.7
367.08350	0.4
375.08612	0.4
377.06613	2.2
378.07675	0.3
379.08142	0.6
381.06042	0.3
383.05249	0.2
387.05048	0.2
389.06503	0.9
393.06143	0.8
393.10486	0.3
394.09616	0.2
395.07544	0.4
401.06741	0.6
403.07968	0.5
405.05981	2.4
406.06815	1.4
407.07602	3.8
410.06458	0.8
411.10974	3.0
419.07645	0.9
421.05475	6.4
421.10791	0.4
423.07083	3.1
429.05994	0.8
431.07596	0.9
433.05475	2.3
435.07233	0.8
437.09189	0.4
438.09204	0.4
447.07233	1.6
449.08636	1.4
451.06287	1.2
453.08142	1.9
457.05737	1.0
459.07266	1.1
465.08163	0.7
467.09781	24.6
468.09937	0.3
475.06625	6.7
476.07166	0.3
477.08249	1.9
477.29907	0.2
479.06281	1.4
493.07602	3.9
495.09518	0.6
497.07285	1.6
503.06152	2.9
511.08694	1.3
521.07214	4.5
539.08246	3.7
557.09283	100.0
558.09631	2.4
653.37268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.7
61.02930	10.7
62.65257	0.5
65.03938	2.3
67.05507	99.2
69.03429	2.4
69.07069	7.3
69.18718	0.7
69.19117	3.3
71.04999	4.1
71.08607	0.4
73.02913	4.2
79.05495	21.0
81.03411	1.5
81.07059	40.1
83.04981	1.5
83.08621	9.3
83.09117	0.5
85.02908	13.3
85.06548	3.2
87.04472	0.9
91.03960	8.3
91.04905	0.6
91.05485	14.9
93.07047	29.0
93.72535	0.4
94.07407	0.4
95.04986	2.1
95.08609	29.5
96.04485	0.5
97.02899	8.4
97.06519	2.2
97.10153	2.7
97.73914	0.4
98.20657	0.7
99.04464	1.3
99.08096	1.4
101.75938	0.4
103.03973	0.8
105.04519	0.5
105.07035	8.4
107.08601	17.4
109.02878	0.8
109.06522	1.0
109.10159	78.5
111.08094	3.8
113.09653	0.5
115.03934	0.7
117.07005	3.5
119.06045	0.7
119.08580	12.6
121.10149	12.1
123.08048	0.9
123.11701	4.6
125.09601	1.6
127.03931	3.4
131.08580	6.1
133.08595	0.5
133.10136	6.6
135.11688	8.7
137.09616	3.6
137.13255	1.3
139.11168	0.5
144.06557	0.6
145.04979	4.5
145.10130	5.0
147.11708	4.1
149.09650	0.5
149.13249	5.8
151.11229	0.5
155.10661	5.9
156.63023	0.4
159.11681	3.8
161.13269	3.1
163.06026	4.3
163.11125	0.4
163.14828	4.1
166.42944	0.4
173.11751	19.5
173.13274	4.0
175.14783	2.3
177.16412	1.2
185.13327	0.7
187.14821	2.1
189.11223	0.7
189.16438	0.5
201.16382	0.7
215.17990	0.5
227.12807	6.7
229.14355	100.0
230.14598	1.0
233.22728	0.6
243.21089	5.6
259.20453	0.5
261.22156	26.3
263.23685	1.0
274.38608	0.4
317.24844	3.7
333.24210	0.7
335.25806	81.4
336.26218	1.5
343.22214	0.4
373.18597	0.8
377.26495	0.5
379.29819	1.1
397.30933	1.9
415.32071	1.4
471.34634	3.6
489.35760	87.6
490.36191	2.5
507.36911	8.8
633.39691	1.0
707.55164	0.4
742.54871	0.4
774.80573	0.5
848.47205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	2.6
61.02933	10.4
65.03954	3.0
67.05514	91.2
68.05865	0.5
69.03444	2.8
69.07077	6.7
69.35097	1.7
69.35523	1.8
71.05006	3.4
71.08644	0.8
73.02930	3.8
77.03931	0.5
79.05499	16.4
81.03422	0.9
81.07068	33.2
82.07373	0.5
83.04983	1.4
83.08631	6.8
85.02914	13.6
85.06551	3.1
87.04466	0.7
89.63362	0.4
91.03973	8.8
91.05490	12.5
93.07055	23.3
95.04981	1.4
95.08621	23.7
97.02903	6.7
97.06535	1.4
97.10183	2.1
99.04464	0.9
99.08115	1.0
105.07054	7.1
107.08611	13.2
109.02888	0.7
109.06541	1.0
109.10170	72.5
111.08091	3.4
111.11839	0.4
115.03946	0.8
117.06997	2.7
119.08598	10.7
121.10150	10.9
122.10447	0.5
123.11728	3.9
125.09636	1.7
127.03935	3.7
129.80762	0.5
131.08589	4.8
133.10158	5.2
135.11703	5.9
137.09612	3.4
137.13249	1.2
139.11220	0.5
142.43275	0.4
145.05005	4.0
145.10107	4.1
147.11717	3.0
149.13269	5.4
153.12759	0.4
155.10692	6.4
157.10176	0.7
159.11687	3.4
161.13274	3.1
163.06038	4.5
163.14861	2.8
173.11781	18.1
173.13271	2.9
175.14873	1.2
177.16408	1.0
179.41385	0.5
180.08763	0.6
187.14865	1.9
189.11241	1.0
199.07129	0.4
200.06476	0.4
201.16425	0.6
213.14764	0.6
227.12808	7.2
229.14384	100.0
230.14775	0.7
233.22749	0.9
243.21124	5.4
259.20383	0.5
261.22183	17.8
262.22491	0.5
279.22845	0.4
299.23645	0.6
317.24753	3.0
335.25836	62.9
336.26083	1.3
377.26486	0.5
379.29907	1.1
397.30908	2.2
408.10422	0.4
415.31885	1.5
471.34702	2.9
489.35809	49.8
490.35925	1.1
507.36893	7.8
531.86340	0.5
633.39093	0.7
848.50110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	17.8
61.02938	1.7
67.05511	15.6
68.99809	1.9
69.03433	10.7
69.07077	62.4
71.05007	9.5
71.08619	1.8
71.52707	1.9
73.02927	3.0
73.06556	1.4
79.05494	12.4
81.03428	16.6
81.07062	20.0
83.04987	6.7
83.08626	14.4
85.02442	1.5
85.02916	21.7
85.06547	2.6
87.00851	9.0
87.04468	4.4
87.08117	3.1
89.06042	36.7
91.05475	4.6
93.07056	29.4
95.04963	4.1
95.08619	22.1
97.02904	11.6
97.06542	25.5
97.10174	1.7
99.04488	6.6
99.08104	2.5
101.05989	2.7
101.09651	1.3
103.03983	1.4
103.07581	2.4
105.01875	4.6
105.07011	1.8
107.04950	1.2
107.08604	28.3
109.02895	15.7
109.10178	11.9
111.04430	1.7
111.08107	8.8
111.11713	6.4
115.07597	2.6
117.01817	1.4
117.09149	7.4
119.08596	1.8
121.06507	3.1
121.10146	2.6
123.11691	1.5
125.06010	2.2
125.13259	1.1
127.03921	17.3
129.01845	1.4
131.07043	1.5
133.07655	2.2
133.08617	32.0
133.10133	2.0
135.11708	70.0
135.26906	1.1
135.35025	1.0
136.12061	1.5
136.59398	1.0
139.11147	3.5
139.54056	0.9
145.05020	5.0
145.10065	1.0
147.04436	1.5
147.10245	1.4
149.06017	2.2
149.13255	3.9
153.12761	87.6
157.12231	2.8
159.02904	5.7
166.83527	1.0
167.06996	1.4
167.14322	3.1
171.13820	100.0
177.11238	9.9
185.15326	2.0
189.14851	2.9
191.12799	2.4
195.12231	1.2
197.15419	13.4
207.06410	1.2
211.16910	6.3
212.16451	1.8
215.16451	4.4
220.51999	1.0
221.13873	5.0
227.16476	1.5
229.18008	46.2
231.04932	1.5
239.14917	18.7
243.19536	1.9
247.19080	3.3
255.19543	1.1
273.20691	1.8
279.18240	5.0
283.17801	1.2
287.22214	29.2
297.19138	15.7
301.07025	3.7
337.22162	4.6
345.26389	2.3
355.23190	7.9
391.26883	2.6
395.26416	2.8
449.31091	2.0
565.38770	1.8
583.40668	7.6
848.48102	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.245
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.1
65.03938	0.4
66.04707	0.2
67.05493	0.2
68.99799	0.4
69.03417	0.5
69.05075	0.1
69.07057	0.2
71.52293	0.1
73.02916	0.2
77.03918	0.2
78.04702	0.2
78.50898	0.1
79.05499	1.0
81.03421	1.6
81.07056	0.4
83.08653	0.1
85.02921	0.6
89.03926	1.4
91.04893	0.2
91.05484	3.3
91.43280	0.1
92.34254	0.1
93.07048	0.3
95.04978	0.7
95.08592	0.5
97.02880	0.4
99.04449	0.2
103.05482	0.9
105.03424	0.2
105.04520	0.2
105.07053	0.6
105.65361	0.1
106.04153	0.8
107.04964	9.9
107.08598	0.3
109.02869	0.6
109.06492	0.1
117.03391	2.4
118.04140	1.1
118.04832	0.1
119.04955	2.2
119.08622	0.3
120.02094	0.1
121.02869	0.5
121.06497	1.4
121.10118	0.6
123.04418	0.2
127.03909	0.6
128.06200	0.1
128.26845	0.1
130.04166	0.1
131.04961	0.6
132.02083	0.5
132.05708	0.2
133.02834	0.3
133.10185	0.3
134.03639	2.0
135.04428	3.3
135.11697	0.2
136.05211	0.6
137.05988	0.6
139.07591	0.1
140.01028	0.5
140.04620	0.2
141.01694	0.1
144.02045	0.3
145.02850	2.6
145.03961	0.6
145.10118	0.2
147.00787	0.5
147.04416	1.4
147.08073	0.2
147.11667	0.3
148.05211	0.4
148.12056	0.1
149.02351	0.5
149.05988	2.3
151.03822	0.1
151.07545	0.9
157.06485	0.2
159.04434	0.4
160.01550	0.2
160.05162	0.1
161.05943	0.2
162.03137	2.6
163.03909	7.3
163.07570	0.3
164.04639	0.4
165.01787	0.2
165.05527	0.7
167.07027	1.4
168.00554	3.8
168.28123	0.1
169.01315	0.4
171.04460	0.1
175.03857	0.9
175.14853	0.2
176.04686	1.5
177.05484	7.6
177.16371	0.5
178.02496	0.2
179.07048	8.8
180.07832	2.1
181.97023	0.1
184.05222	0.4
186.01611	1.8
189.12804	0.6
190.02614	2.7
190.13168	0.2
191.07040	17.6
192.07364	0.2
195.06540	2.5
201.05437	0.3
203.07114	0.2
205.04974	36.9
206.05342	0.4
207.04628	0.2
207.06493	1.6
209.08022	0.3
212.04698	0.5
213.05521	0.6
221.05966	0.2
223.06007	1.4
227.07164	0.2
229.04944	0.6
230.50049	0.1
237.09077	0.1
240.04233	1.1
241.04959	1.2
245.08133	0.2
250.06300	0.5
251.07066	0.2
255.06410	0.7
257.04449	0.5
258.05215	1.7
264.07996	0.2
265.08514	0.2
268.03702	0.8
269.04471	3.5
270.05219	0.2
270.08255	0.1
282.05246	0.2
283.05994	0.1
284.99326	0.2
285.03952	7.2
286.04730	68.0
287.05170	1.2
293.08099	0.4
297.11017	0.1
300.06436	0.2
301.07074	100.0
302.07401	1.7
321.07611	0.3
325.10745	0.3
345.09412	0.1
353.10309	0.9
355.11826	0.3
367.10306	2.3
385.12830	14.7
386.03656	0.2
386.13467	0.2
477.12314	0.1
479.13556	0.3
529.17188	1.8
547.17969	0.7
585.32648	0.1
769.85663	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	848.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	15.4
61.02924	2.1
67.05504	20.3
68.99815	2.4
69.03434	14.6
69.07069	53.9
69.42506	10.6
71.05002	10.5
71.08633	5.3
73.02920	3.4
73.06579	2.7
79.05505	17.3
81.03416	18.7
81.07058	36.3
83.04980	8.7
83.08619	49.9
84.08132	1.9
85.02911	29.1
85.06540	7.5
87.00825	14.7
87.04462	9.1
89.06031	74.1
89.06579	4.1
91.05470	5.0
93.07046	39.6
95.04971	4.9
95.08611	19.2
97.02901	11.6
97.06538	29.4
97.10186	11.0
99.04457	8.9
99.08116	2.6
101.06040	3.3
101.09644	3.8
103.03948	3.6
103.07605	2.7
104.34344	1.7
105.01863	5.4
105.07036	2.8
107.08595	34.3
109.02888	19.2
109.10168	15.1
111.08095	17.1
115.07573	4.8
117.09142	6.4
121.10158	19.6
123.11719	5.7
125.09641	5.7
125.13279	2.9
127.03905	20.3
129.01848	2.4
129.09189	3.2
131.07068	4.8
133.08609	51.8
135.11678	11.2
143.10698	1.7
145.04959	3.3
147.04573	1.8
147.10100	2.5
149.06029	3.2
149.13264	85.7
153.12711	13.5
159.02898	6.2
161.74185	1.6
167.14322	75.1
168.14644	2.4
171.13826	15.6
175.09653	3.3
177.11237	30.6
185.15373	100.0
197.15269	3.1
205.43033	1.6
211.16924	36.2
213.03946	3.2
221.13837	5.0
225.18571	2.4
229.18019	11.6
231.04999	4.4
235.15288	2.1
239.14803	3.5
243.19565	49.1
261.20721	3.4
265.16452	4.9
269.21027	2.5
273.20581	2.9
283.17529	41.5
287.22195	3.0
297.31027	1.8
301.07068	3.5
301.23715	12.6
323.20792	9.6
341.21664	19.1
361.25720	2.6
381.24893	6.1
430.63742	1.9
449.31073	6.9
507.35532	3.7
553.84344	1.8
565.39520	3.3
583.40509	15.8
693.69592	2.0
848.47278	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	1.8
61.02899	1.4
65.03937	3.3
67.05507	100.0
69.03420	3.3
69.06738	2.1
69.07073	23.2
69.63216	7.4
69.90475	1.1
71.04995	6.7
71.08638	1.2
71.22091	1.3
73.02906	1.2
79.05499	51.5
81.03417	4.1
81.07059	89.2
83.04972	3.9
83.08620	15.4
85.02892	2.3
85.06541	3.6
91.05481	34.3
93.07048	61.8
95.04958	6.6
95.08611	55.6
97.02902	2.0
97.06531	9.4
97.10184	9.8
98.55202	1.2
99.08120	2.6
105.04533	1.5
105.07038	31.3
107.04936	4.3
107.08602	38.4
109.06541	5.5
109.10156	44.8
111.08089	5.7
112.67010	1.1
117.07023	12.9
119.08580	26.5
121.06502	1.6
121.10143	26.6
123.08050	3.4
123.11703	9.5
125.09641	7.7
129.07013	1.3
131.08574	19.9
133.10146	20.1
135.08067	2.3
135.11681	15.8
137.09605	5.5
137.13249	2.3
143.08536	4.7
145.10143	16.3
147.11708	14.0
149.09612	6.6
149.13266	11.1
155.10693	2.5
157.10135	3.3
159.11690	12.7
161.09541	1.2
161.13283	6.2
163.11137	4.6
163.14836	2.1
165.12764	1.5
171.11673	3.2
173.11716	7.4
173.13272	8.0
175.14757	2.2
177.12761	2.6
183.11632	2.0
184.07272	1.7
185.13202	3.1
187.14825	5.9
189.11258	2.7
189.12799	1.1
189.16351	1.5
195.13849	2.4
197.13232	1.3
199.14862	2.5
205.15700	1.7
224.37756	1.2
227.12811	6.4
229.14340	36.5
229.19406	1.4
239.17976	1.5
243.21078	4.1
247.20737	1.5
257.18973	5.0
259.20590	1.4
261.22137	12.4
267.15909	1.4
269.17490	19.2
275.20050	25.2
277.21561	1.6
293.21115	4.5
309.20578	4.1
333.24292	1.8
335.25809	94.9
349.23770	21.3
367.24841	15.4
437.34009	1.4
471.34473	1.8
489.35812	25.4
507.36581	3.1
529.38928	45.6
530.39960	1.5
569.42126	18.7
609.45129	35.4
627.46344	22.9
633.39313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99353	0.2
68.99789	0.5
69.03412	0.9
70.06577	0.3
70.15189	0.5
70.15555	0.4
71.04961	0.4
74.82372	0.3
78.04688	0.5
79.05463	1.1
81.03422	3.3
81.07054	0.6
85.02875	1.0
91.05459	0.9
93.07060	0.2
95.04924	0.5
102.04703	0.3
103.05452	0.4
105.03403	0.3
105.07018	0.5
106.04192	0.3
107.04959	1.8
107.08602	0.4
109.02902	1.3
115.05447	0.6
117.06978	0.6
118.04168	0.8
119.04929	0.8
119.08561	0.3
121.02859	0.5
123.04400	1.4
124.05187	0.6
127.03912	0.5
128.06149	0.4
130.04126	0.3
131.04938	1.3
132.05687	0.8
133.02843	0.4
133.10091	0.7
135.04366	0.4
137.05945	0.7
140.00978	0.4
140.04700	1.6
143.04860	0.5
144.75278	0.2
145.02809	0.4
145.06453	0.9
147.04396	0.5
149.06061	0.3
151.03882	0.4
152.04668	0.5
153.01740	0.3
153.05469	1.6
155.04929	0.3
155.07039	1.8
157.06456	0.4
158.03667	1.3
160.05194	0.6
161.05995	0.5
167.07045	17.6
168.00558	4.2
169.01273	0.3
170.03610	0.6
171.04384	0.5
173.05988	3.0
173.13191	0.3
175.03873	0.5
175.07510	0.4
175.14784	0.9
177.05496	0.8
177.06944	0.3
178.07828	0.4
179.08464	0.3
180.07819	0.4
181.04938	0.6
183.04347	0.3
184.05191	0.4
185.05960	0.4
186.01572	2.1
186.03162	1.4
188.04681	0.3
189.05438	0.5
189.06987	1.0
190.07809	0.3
191.07001	1.3
191.08568	0.6
192.07811	1.0
198.03094	0.6
201.05472	28.3
202.05930	0.3
203.07057	0.9
205.04857	0.5
205.06520	1.0
207.06409	0.3
207.08101	1.5
208.08772	0.7
211.86263	0.2
212.04697	0.7
213.05479	12.2
215.07024	0.5
216.04065	0.5
217.06578	0.5
218.07269	1.4
219.08038	1.9
219.32330	0.3
220.05188	1.1
221.05989	1.7
222.06747	0.3
229.04886	0.5
231.06499	7.3
232.05112	0.7
233.05968	0.9
234.06749	1.0
235.07542	3.5
236.08347	1.2
237.05443	0.6
240.04134	0.9
241.04900	1.3
245.06017	0.6
246.06708	1.4
247.07559	3.0
248.04750	0.5
248.08353	0.7
249.05457	2.3
249.09145	0.6
250.06281	0.7
251.06967	1.0
252.07788	1.0
253.08627	0.5
255.06483	1.0
257.06113	0.6
258.05173	2.3
259.07526	0.3
260.04648	1.3
261.05533	1.1
261.09052	0.5
262.06253	0.9
263.07034	4.4
264.07813	2.8
265.05087	0.6
265.08597	0.9
266.05591	0.5
267.10156	1.1
268.03647	0.8
269.04404	3.4
270.05151	0.4
273.05450	0.4
274.06213	2.1
275.07028	3.5
276.07803	1.2
277.04938	2.2
277.08539	0.7
278.06009	0.2
278.09076	0.5
279.06631	0.7
279.10156	1.1
280.07333	1.0
281.08008	0.8
283.06076	0.4
285.03943	8.0
286.04721	79.8
287.05054	0.8
288.04318	1.3
289.04990	0.9
289.08441	0.5
290.05807	0.5
291.06570	1.5
292.07291	4.6
293.04425	0.3
293.07983	0.8
295.09634	3.1
296.10373	0.4
297.07532	0.4
301.07071	100.0
302.05627	1.0
302.07761	0.8
303.06531	8.8
304.07275	1.3
305.04453	2.8
305.08072	1.0
306.09045	0.6
307.06134	0.4
307.09628	3.1
308.06848	0.6
309.07596	0.6
312.09872	0.5
317.08026	0.6
319.06140	0.3
320.06818	7.4
321.07538	0.8
322.08432	0.8
323.09045	2.2
324.09900	0.7
325.10764	0.3
327.12326	1.1
334.08298	0.3
335.09143	18.8
336.09766	0.4
337.07172	0.4
337.10767	2.8
339.12277	0.6
349.10855	0.3
352.09467	1.1
355.11771	35.4
356.11993	0.7
367.11777	42.0
368.12109	0.9
369.13342	0.5
385.12817	6.1
499.16113	3.5
511.15988	1.2
517.17224	1.9
529.17218	1.9
547.18085	2.8
561.28632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.2
61.32126	1.9
63.74834	2.5
64.90901	2.1
65.03936	7.4
67.05512	100.0
68.61716	2.1
69.03437	21.8
69.06730	4.6
69.07076	50.3
69.36332	16.7
71.05006	15.4
71.08630	2.8
73.02908	3.6
74.65227	2.1
79.05499	78.1
81.03426	18.9
81.07068	90.3
83.04985	12.0
83.08616	14.3
85.02917	10.9
85.06535	3.5
85.10170	2.1
91.05486	61.6
93.07054	74.3
95.04989	16.4
95.08620	57.9
97.02892	10.4
97.05919	5.0
97.06541	83.3
97.10181	4.4
98.20789	4.8
99.04475	2.6
99.08120	2.7
105.04601	2.7
105.07043	34.0
107.04971	11.5
107.08615	34.2
109.02882	5.4
109.06525	22.0
109.10165	27.2
111.08099	8.7
113.06017	5.1
115.05455	4.5
115.07578	25.7
117.07043	15.5
119.08580	25.8
121.06541	7.1
121.10162	22.3
123.04404	3.0
123.08076	6.4
123.11713	5.8
127.03954	4.7
127.07514	2.5
129.07019	8.7
131.08600	22.7
133.06528	3.5
133.10132	18.6
135.08040	11.9
135.11717	13.7
137.09688	2.4
143.08569	8.4
145.06444	3.2
145.10101	18.6
147.08081	7.9
147.11696	13.6
149.09613	5.2
149.13260	7.9
151.11169	2.6
155.08559	3.0
157.10080	10.8
159.08142	2.4
159.11768	12.4
161.09636	5.6
161.13249	5.0
163.11214	3.6
165.09041	2.4
167.08621	2.9
168.00555	4.4
169.10091	3.0
171.11690	7.3
173.04437	8.4
173.09598	3.7
173.13284	8.2
175.11224	5.2
177.12755	5.6
181.10164	5.0
183.02916	14.6
183.11752	2.7
185.13319	2.9
187.11076	3.2
187.14738	3.6
192.56070	2.3
199.14847	3.0
217.15923	9.9
227.18068	2.8
233.15350	3.9
243.21159	4.4
253.14238	5.4
255.17494	3.6
261.22186	10.6
269.17429	13.7
273.18591	26.7
291.19647	15.2
307.19006	4.2
309.20908	3.2
313.27448	4.4
314.28107	3.2
317.06665	2.8
317.24493	3.2
333.24380	2.3
335.25818	90.7
347.22153	10.8
365.23260	8.9
383.37183	2.4
391.28445	2.9
394.81021	2.3
491.17386	5.3
492.17188	3.9
509.17938	6.3
510.18530	10.8
515.37683	4.4
529.38959	32.1
567.40784	4.0
584.22345	3.1
602.03479	2.8
607.43799	9.2
625.44531	20.7
643.45288	8.6
822.44458	3.6
840.45105	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.0
64.20245	3.0
65.03930	8.8
67.05507	94.8
67.86179	2.5
69.03422	8.7
69.07072	45.6
70.06590	3.3
71.04977	7.0
73.02934	3.5
74.73878	2.5
75.52704	3.3
75.53214	2.4
79.05499	93.2
81.03428	15.0
81.07064	100.0
83.04973	9.7
83.08633	24.7
85.02934	6.8
85.06550	6.3
89.85768	2.8
91.05487	99.4
93.07050	91.6
95.04967	12.1
95.08063	4.8
95.08617	62.2
97.02888	5.4
97.06520	12.3
97.10184	14.6
98.20753	8.0
99.08125	7.0
103.05488	3.6
105.04560	3.2
105.07034	98.8
107.04948	12.8
107.08603	72.5
109.06512	6.9
109.10163	28.8
111.08073	11.0
115.05441	5.7
116.07098	5.9
117.07024	39.3
118.00776	3.3
119.08587	80.9
120.71375	2.5
121.06524	5.8
121.10148	37.6
123.08092	6.7
123.11696	12.4
125.09609	7.1
127.03925	5.8
128.06236	7.2
129.05504	4.5
129.07014	27.6
131.08582	47.4
133.10141	52.5
135.08031	8.8
135.11688	29.1
137.09587	6.1
141.06966	4.9
142.07770	7.1
143.08553	22.0
144.94092	2.9
145.06435	3.5
145.10138	44.8
147.08040	6.8
147.11700	36.7
149.09610	12.3
149.13272	16.3
151.11234	3.8
155.08524	13.7
157.10124	25.1
159.11722	31.3
161.09621	3.9
161.13287	21.7
163.11165	8.7
169.10165	15.2
171.11700	27.1
173.11897	4.2
173.13170	15.0
175.11253	3.4
175.14804	8.2
177.12761	5.3
181.10175	8.9
181.57321	2.8
183.11708	15.9
184.07324	3.3
185.13333	14.7
187.11209	3.4
187.14778	5.1
193.10101	3.2
195.11731	8.0
195.13777	4.2
197.13203	5.4
199.13120	3.7
199.14857	10.1
203.14389	4.4
209.13232	9.1
211.14848	9.5
213.16383	7.7
215.17949	3.5
221.13283	3.1
227.12721	5.0
229.19588	3.2
231.21144	6.0
239.17880	5.2
241.19543	17.4
251.18060	3.7
255.15843	9.3
257.19043	5.4
259.20587	45.5
261.22083	3.0
269.17416	16.9
274.41193	2.9
275.20078	19.7
277.21558	3.4
283.20718	3.7
291.19638	5.2
293.21036	3.0
315.23172	6.6
325.21881	4.0
333.24307	47.9
335.25790	5.5
349.23758	21.8
367.25015	4.2
435.32477	3.5
453.33652	5.9
471.34451	3.3
495.34439	4.2
497.36642	4.0
509.36078	6.3
513.35815	32.8
515.38245	8.4
525.35742	4.5
527.37274	43.4
543.36835	4.4
545.38287	8.5
551.40424	4.1
567.39978	4.5
607.43567	39.1
625.44623	46.9
643.45325	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	841.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.5
68.39981	0.8
71.52484	0.9
79.05502	1.1
81.07055	1.1
91.05497	1.4
92.96706	0.9
93.07064	1.6
94.31123	0.9
95.08632	0.8
110.32295	0.8
119.08561	1.0
191.03496	1.1
205.05031	2.4
224.49875	0.7
239.88474	0.7
249.13936	1.3
264.79660	0.9
308.40222	0.8
401.17725	2.2
402.18478	1.4
403.19342	3.1
415.19470	1.2
416.20181	2.1
417.21231	4.9
418.21716	3.0
419.22714	1.5
429.17114	2.6
430.17297	1.1
431.17920	7.3
432.23889	1.0
433.24097	11.5
440.99814	0.9
443.18600	1.2
444.19095	7.4
445.19687	10.2
446.20691	4.2
447.21866	1.1
458.21152	1.5
459.21768	70.1
460.22491	16.2
461.23441	11.0
473.23514	5.5
476.21606	1.3
487.25336	2.6
491.24429	1.8
501.23148	1.0
519.23596	13.1
531.23944	3.9
533.25586	1.3
545.25671	1.4
546.26355	2.8
547.27100	57.2
563.26434	1.6
574.25940	3.8
575.26489	1.4
576.24127	1.7
584.22064	1.6
591.26416	4.7
606.28387	100.0
607.29156	67.2
608.29926	2.1
619.61505	0.9
737.29370	1.0
781.29065	1.8
797.32043	5.0
823.29724	10.6
841.30804	46.7
841.44940	1.7
842.30621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	3.3
69.06995	0.7
70.06512	6.2
70.06931	0.8
79.05409	2.3
81.06973	2.7
83.08582	0.5
91.05458	2.4
92.40960	0.5
93.07040	2.6
95.04907	0.6
95.08509	1.8
97.06438	0.6
98.20729	1.0
105.06927	1.6
107.08511	1.3
108.84472	0.5
109.06439	0.6
116.07105	11.2
116.51385	0.5
117.06813	0.5
119.08537	1.3
120.90230	0.5
121.10104	1.0
129.06956	0.5
131.08487	0.9
133.10051	1.4
145.10046	1.0
147.11617	0.8
149.09468	0.6
157.10075	0.7
191.03262	0.7
194.51360	0.5
209.10304	0.7
210.11237	0.6
225.13719	0.6
239.15460	0.6
273.18536	0.7
291.19431	0.9
300.14838	0.5
325.75296	0.5
335.25848	1.0
365.23260	1.0
386.18436	0.6
387.16211	0.9
400.17636	0.4
401.17426	1.8
402.18390	1.6
403.19260	4.2
404.19897	1.2
405.20721	0.9
415.19778	2.4
416.19946	2.2
417.20947	6.7
418.21390	3.5
419.22223	1.2
429.16104	3.3
429.21631	1.0
430.16797	2.3
431.17969	8.2
431.22849	2.1
432.18533	0.9
432.23495	1.4
433.24014	13.1
443.18567	1.9
444.19131	7.7
445.19864	12.5
446.20706	3.9
447.21524	1.4
457.20340	0.7
458.21130	1.8
459.21802	79.2
460.22537	19.6
461.23413	15.6
471.21976	0.7
473.23633	5.8
474.24316	0.7
476.21802	1.0
487.24762	3.7
489.23016	0.9
491.24551	1.7
501.23062	0.7
505.25876	1.9
517.22675	1.4
519.23633	12.9
531.23859	4.6
532.24664	1.5
533.25330	0.9
546.26434	3.3
547.27081	73.9
548.27454	2.4
559.23041	0.8
563.26923	2.6
574.25812	2.5
575.26501	2.1
576.23492	1.3
591.26239	5.2
606.28424	100.0
607.29199	82.5
608.29828	2.4
625.44122	1.4
626.45111	0.9
643.46002	0.7
666.20618	0.6
735.28967	0.6
737.29254	1.3
781.29218	0.7
797.31616	8.8
823.30011	3.3
841.30811	21.6
841.46881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	36.1
66.63915	1.2
67.05498	2.9
69.07073	2.8
69.21883	2.5
69.22296	11.0
70.06606	1.7
71.04953	1.6
71.08641	100.0
71.13753	1.2
72.25076	1.2
73.02903	1.8
73.06558	1.8
81.07055	2.6
83.08624	4.9
85.10191	94.0
87.04491	12.1
87.08137	1.4
89.06044	70.7
93.07078	1.8
95.08622	2.6
97.10167	2.3
98.21535	2.4
99.11755	11.6
101.09673	2.8
103.07552	2.3
109.10142	2.2
111.11726	1.4
115.54883	1.3
117.09146	16.9
120.08124	2.2
130.08681	1.3
131.07059	4.3
133.08623	58.3
141.16406	12.7
175.09686	5.0
177.11232	23.4
184.07347	1.5
191.12657	1.2
192.89268	1.2
199.20599	26.5
221.13820	6.5
240.23257	1.6
257.24796	33.0
265.16788	1.5
283.17499	1.7
309.18887	1.5
313.27383	2.9
327.20267	1.6
335.25824	4.3
353.21854	1.4
383.73706	1.6
503.30707	12.6
834.61743	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	834.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	24.3
66.83677	0.9
67.05511	1.5
67.12724	0.8
69.07074	1.8
70.10239	3.0
71.08639	95.6
73.02908	1.3
73.06562	4.0
79.05492	1.6
80.02581	0.8
81.07039	2.2
83.08642	2.7
85.10191	74.6
85.99983	0.8
87.03941	1.1
87.04476	22.1
89.06040	100.0
91.07595	1.0
93.07020	1.1
95.08607	2.1
97.10181	3.4
99.11742	14.8
101.06042	1.3
101.09679	1.2
101.41325	0.9
106.85708	0.9
107.07083	1.6
109.10176	0.9
111.11725	1.2
113.13263	5.3
115.23414	0.9
117.09146	8.9
121.10201	1.2
125.13255	1.3
130.08646	3.3
131.07056	7.0
133.08618	82.6
140.14900	0.9
155.17949	12.7
161.11719	1.2
175.09666	7.3
177.11238	39.3
191.12820	1.2
194.51120	0.9
213.22134	20.1
219.12320	2.6
221.13831	7.6
239.14983	1.2
246.37190	0.8
254.24818	2.3
263.14984	1.0
265.16544	1.9
267.17981	1.1
271.26312	9.3
283.17453	2.6
309.19116	1.5
313.27441	2.6
327.19919	1.2
335.25803	1.6
353.21841	1.8
419.53339	1.0
503.30499	1.6
547.33246	13.0
587.36224	2.3
817.57324	1.1
834.61438	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	840.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.6
67.05509	85.9
69.03446	5.3
69.07066	31.8
70.06599	4.1
71.04978	4.3
71.52180	5.3
79.05502	77.8
81.03422	11.9
81.07065	100.0
83.04980	9.8
83.08627	20.9
85.02921	5.3
85.06570	5.4
87.04469	7.9
91.05490	85.6
92.21597	3.3
93.07050	82.7
95.04977	12.8
95.08616	54.3
97.02881	4.2
97.06526	13.6
97.10176	9.8
99.08119	5.1
105.07036	80.1
107.04958	11.2
107.08607	50.4
109.06517	8.3
109.10166	23.7
111.08109	6.7
115.05433	4.6
116.07094	5.8
117.07034	30.5
119.08587	53.9
119.10425	3.8
121.06561	4.2
121.10151	34.1
123.08076	4.2
123.11726	4.6
125.09602	4.2
128.06218	3.1
129.07008	17.5
131.08577	35.3
133.10158	48.5
135.08038	6.1
135.11713	26.0
137.09673	5.5
138.57753	3.1
141.06976	6.5
142.07819	6.0
143.08548	15.6
143.79356	3.4
145.10178	31.1
147.08061	5.2
147.11703	35.1
149.09616	10.6
149.13246	14.1
151.11212	4.4
155.08598	8.4
157.10130	18.1
159.11668	26.3
161.09682	4.3
161.13261	16.9
163.11168	5.0
165.12802	3.3
169.10138	11.2
171.11661	19.3
173.13293	15.2
175.11244	3.9
175.14824	5.8
181.10175	4.5
181.12398	4.3
183.02905	12.1
183.11708	8.2
185.13330	9.2
187.11256	4.7
187.14827	6.2
195.08124	3.4
195.11700	4.8
195.13710	3.0
197.13307	7.1
199.14847	7.3
211.14902	5.6
213.16513	3.8
224.41481	3.3
225.16389	3.0
231.21083	3.8
239.17839	3.6
241.19556	11.7
241.90596	3.4
255.15927	8.8
259.20615	37.3
267.15784	5.0
269.17435	24.1
273.18427	5.4
275.20038	17.1
277.21866	4.6
291.19656	4.5
315.23016	4.9
333.24240	35.9
335.25842	14.7
349.23822	10.2
365.23404	6.6
367.24933	5.5
413.90155	3.7
417.31531	4.1
435.32486	9.6
440.22711	3.6
453.33673	7.9
455.01984	3.7
471.34604	4.5
509.18097	5.6
510.18518	5.6
513.35687	14.5
515.37714	3.7
517.38556	4.2
527.37341	52.5
532.28766	4.9
533.07367	3.6
545.38379	10.4
556.91016	3.6
607.43402	25.8
625.44916	25.6
643.45807	6.2
649.57098	3.4
653.39752	4.1
655.15216	3.4
702.43793	3.7
841.45624	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	834.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	11.7
61.02922	1.7
67.05511	16.2
68.99793	2.4
69.03435	15.0
69.07072	69.5
69.90068	1.7
69.90470	2.6
71.05002	8.8
71.08624	1.4
73.02899	3.4
73.06551	2.4
75.20896	0.8
79.05502	15.7
81.03427	17.8
81.06595	1.6
81.07059	25.5
83.04964	6.6
83.08622	16.7
85.02908	23.7
85.06536	3.9
87.00824	9.5
87.04484	6.7
87.08098	2.3
87.32780	1.0
89.06036	55.8
91.05473	3.8
93.07049	32.3
95.04969	2.5
95.08613	22.5
97.02895	10.4
97.05930	1.6
97.06538	31.1
97.10187	2.6
98.20689	1.0
99.04453	6.1
99.08095	1.8
101.06007	2.2
101.09667	1.8
103.03940	2.2
103.07581	1.5
105.01865	4.0
105.07025	2.9
106.60822	1.1
107.07075	1.3
107.08594	31.4
109.02890	17.4
109.10161	13.5
111.08090	7.9
111.11745	7.7
113.05989	1.2
115.07561	1.8
117.01852	1.8
117.09131	2.8
119.08581	1.3
121.06484	2.2
121.10136	1.2
125.05988	1.4
127.03919	17.2
129.01804	1.8
129.09099	1.5
130.08627	1.4
131.07037	3.3
133.08614	42.9
133.10104	1.7
134.08891	1.1
135.11697	80.8
139.11143	2.9
145.04941	3.9
146.08153	1.7
147.02840	1.4
147.04443	1.2
147.10141	2.5
149.02362	1.2
149.13268	1.7
153.12752	84.7
157.12231	1.8
159.02939	6.3
167.07169	1.9
171.13806	100.0
175.09641	4.1
175.14894	1.5
177.05522	1.2
177.11238	29.1
189.03856	1.2
189.14847	1.3
195.12268	1.8
197.15379	39.6
206.11778	2.0
211.16937	6.1
212.16380	1.3
213.04012	2.0
213.14882	1.8
215.16414	9.3
221.13821	5.2
227.16467	1.5
229.18002	44.5
231.04910	2.4
239.14923	2.0
247.19069	3.0
255.19601	2.6
259.19073	1.8
265.16425	3.5
283.17538	32.5
287.22159	10.2
301.07016	1.6
303.21634	1.3
323.20557	7.2
341.21756	18.3
347.24280	4.3
362.58990	1.1
381.24881	5.7
399.25629	1.4
435.29599	7.0
493.33405	3.4
551.37701	3.2
569.38928	14.6
641.66772	1.1
694.49756	1.2
696.28320	1.1
834.45819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94821	0.6
61.02930	4.6
63.27462	0.6
67.05518	8.8
69.03452	3.1
69.07069	3.3
69.28163	5.7
73.02908	4.2
79.05506	5.6
81.03433	2.0
81.07056	7.7
83.05002	1.2
83.08626	1.4
85.02911	4.7
91.03955	2.5
91.05489	5.5
93.07043	6.0
95.05019	1.9
95.08614	6.5
97.02893	4.3
97.06566	1.4
99.04485	0.7
101.02371	1.8
105.07043	3.1
107.04972	1.0
107.08597	4.3
109.02869	0.7
109.06557	0.9
109.10186	2.6
117.07036	1.5
119.08630	2.3
121.10186	2.6
125.09627	0.9
127.03962	1.5
131.08594	2.1
133.10188	2.0
133.57390	0.7
135.11790	1.0
149.13243	1.3
161.13457	0.8
184.07368	1.0
185.04333	1.3
186.88411	0.7
219.42509	0.6
243.08514	2.9
331.18854	4.3
335.25952	2.1
336.26450	0.7
338.27731	1.0
392.27191	0.7
451.19427	0.8
519.29285	4.7
530.39288	1.2
549.26874	5.2
612.08307	0.8
612.47406	1.1
729.41931	0.9
809.47675	2.7
827.49194	100.0
828.49194	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	3.8
63.38584	0.8
65.03912	0.7
67.05516	4.7
69.03427	2.4
69.07091	1.5
71.52166	1.2
72.29149	0.6
72.35808	0.7
73.02912	2.5
79.05507	4.7
81.03419	2.0
81.07064	4.0
81.17458	0.6
83.08649	0.7
85.02921	4.9
85.10258	0.7
91.03963	2.6
91.05495	4.5
93.07047	5.3
95.08619	2.4
97.02916	4.4
99.04420	0.9
101.02408	1.5
105.07039	4.2
107.08611	3.0
109.10160	1.5
111.08045	0.7
117.07043	1.5
119.08585	2.0
121.10180	2.1
127.03951	1.3
129.05492	1.0
129.07076	0.8
131.08563	1.5
133.10133	1.5
134.09253	0.7
135.11734	1.0
147.11726	2.1
159.11775	1.0
161.13295	0.7
184.07500	1.0
185.04265	0.9
243.08459	2.9
259.20676	0.8
280.51889	0.8
301.08871	1.3
309.90750	0.6
315.10779	1.0
317.20950	1.3
333.23984	1.0
397.18784	0.9
465.21088	1.0
525.23138	1.9
535.28839	13.4
607.30719	1.8
649.35107	0.8
829.50745	100.0
830.50897	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	826.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.6
61.02934	10.5
65.03934	0.9
67.05510	58.1
68.05831	0.7
69.03432	2.2
69.07074	5.8
70.06602	1.4
70.77854	0.7
71.04985	2.9
71.08640	16.3
71.52271	1.1
73.02908	2.6
79.05494	1.9
81.03414	0.8
81.07059	16.2
83.08625	9.9
85.02910	10.0
85.06539	1.6
85.09734	0.9
85.10195	10.3
87.04510	0.9
90.57394	0.7
91.03957	8.1
91.05494	3.5
93.07032	2.0
95.07269	0.7
95.08616	16.0
97.02904	6.2
97.10177	3.9
99.04478	0.7
107.08621	1.3
109.10165	63.0
111.08100	2.5
119.08574	4.2
121.10170	0.8
123.11703	2.7
127.03924	2.2
129.21696	0.8
129.22882	0.7
137.09602	1.8
137.13251	1.0
145.04977	3.3
146.08139	1.7
155.10664	5.4
163.06021	3.7
173.11743	12.7
184.07375	2.7
229.14365	80.3
230.14822	0.9
239.23643	2.0
249.62328	0.8
257.24689	0.9
280.91095	0.8
313.27386	77.6
314.27811	1.0
336.26389	0.8
383.67035	0.7
467.37363	100.0
468.37646	2.3
611.41528	1.4
701.48987	1.0
761.65436	0.8
826.48065	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.2
61.02928	8.2
65.03942	0.9
67.05508	51.5
69.03421	1.7
69.07074	4.9
69.15312	1.2
69.15730	2.0
71.05007	2.2
71.08637	13.8
73.02925	3.2
75.80945	0.3
77.80869	0.3
79.05486	1.4
81.03439	0.9
81.07063	13.6
83.04993	0.5
83.08623	8.8
85.02913	10.6
85.06554	1.9
85.10187	7.9
85.10670	0.6
86.09735	0.3
87.04469	0.4
89.06039	0.8
91.03961	7.2
91.05482	2.8
93.07050	2.8
95.04970	0.4
95.08612	12.6
96.04507	0.5
97.02897	6.5
97.06537	0.5
97.10161	2.4
99.04483	0.7
99.08111	0.3
99.11752	0.7
102.94895	0.4
103.03907	0.3
103.07572	0.7
107.08621	1.1
109.10163	56.7
110.10459	0.3
111.08096	2.4
111.11706	0.7
115.03981	0.3
119.08591	4.2
120.08828	0.3
123.11717	2.0
127.03919	3.4
137.09645	2.4
137.13252	0.9
145.04973	3.0
146.08156	0.8
155.10677	5.3
163.06012	4.1
165.16339	0.3
173.11746	14.3
183.77838	0.3
184.07419	0.3
229.14363	100.0
230.14696	1.0
239.23723	1.2
257.24686	2.0
283.69788	0.4
301.91891	0.4
313.27380	76.6
314.27786	1.1
325.82977	0.3
373.18375	0.6
376.67654	0.3
440.10794	0.4
467.37363	60.3
468.37775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.3
67.05511	4.6
69.03439	3.5
69.07077	2.4
69.65012	1.3
69.65420	1.9
73.02924	3.4
79.05500	3.6
81.03426	1.4
81.07056	5.1
83.04991	0.5
83.08633	1.3
85.02915	5.7
91.03963	3.6
91.05502	2.5
93.07047	4.2
95.05000	0.8
95.08630	4.0
97.02910	4.0
97.10192	0.7
98.21500	0.9
99.04488	0.6
101.02406	1.8
103.03972	0.6
105.07057	2.0
107.08619	2.4
109.02906	0.7
109.10184	1.5
111.08140	0.6
117.07072	0.5
119.08585	1.5
121.10174	1.4
125.09673	1.2
127.03943	1.7
131.08600	1.2
135.11732	0.7
184.07428	0.7
185.04271	0.7
201.90738	0.6
237.37041	0.6
243.08456	3.0
252.38553	0.7
291.19754	1.0
301.09158	0.6
331.18924	2.2
382.17758	0.6
519.29486	7.6
549.27216	3.0
827.49213	100.0
828.49329	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	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.2
65.03946	0.8
66.53098	0.5
67.05508	12.2
68.05025	1.6
69.03430	7.7
69.07063	2.8
70.02974	0.6
70.06596	6.7
71.01367	1.0
71.03053	1.0
71.04995	92.1
72.04519	0.6
73.02930	3.1
77.03957	0.4
79.05496	13.2
80.05034	0.6
81.03427	2.9
81.07053	9.7
82.06587	0.7
83.04987	0.4
83.08620	2.8
84.04509	0.8
84.08143	5.9
85.02911	5.0
86.06080	5.0
88.03998	3.7
91.03970	1.8
91.05489	5.7
93.06471	1.0
93.07040	10.2
94.06572	1.3
95.04984	1.5
95.08598	5.7
96.04497	0.6
96.08137	9.9
97.02892	4.7
97.10172	4.1
98.06069	3.4
99.04482	0.7
101.02385	1.7
105.04530	0.9
105.07043	2.6
106.06571	1.9
107.04954	0.8
107.08597	6.4
108.69835	0.5
109.02905	0.9
109.06545	0.9
109.10168	3.1
111.08088	1.5
112.07610	6.3
114.05504	1.0
114.09165	0.5
115.05487	0.4
116.07107	0.6
117.07029	1.8
119.08582	2.4
121.10160	2.2
122.06055	0.7
123.08090	0.5
124.07594	5.3
125.09642	3.4
127.03946	0.9
129.05562	0.5
131.08604	1.1
133.10168	0.9
135.08086	2.2
135.11748	1.5
140.07068	0.8
141.07835	1.3
142.08635	6.4
142.22452	0.5
145.10129	1.0
147.11694	1.1
153.09106	1.2
158.08130	8.2
159.11775	0.8
163.11095	0.5
170.08148	2.7
189.11253	1.7
202.10840	0.9
227.12772	2.5
248.16530	1.0
259.18054	0.5
261.22192	0.7
335.25778	6.0
505.35458	0.8
638.20270	0.4
646.42804	1.2
664.44025	2.3
689.54224	0.5
722.38654	1.0
814.89844	0.5
826.49500	100.0
827.49457	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	826.4948
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
59.04998	0.8
61.02928	6.3
63.60587	0.7
67.05514	15.5
68.05019	1.7
69.03433	7.0
69.07077	4.8
70.06597	7.5
71.04998	94.7
71.11910	1.3
73.02919	4.1
79.05498	13.4
81.03427	3.4
81.07068	10.9
82.06573	0.9
83.04964	1.1
83.08639	3.7
84.08163	5.0
85.02908	6.7
86.06070	6.3
87.04506	1.4
87.26364	0.7
88.04021	4.0
91.03979	3.0
91.05485	6.7
93.07058	11.0
94.06642	0.9
95.04977	1.6
95.08611	7.0
96.08136	11.8
96.08701	1.1
97.02882	5.6
97.06530	0.8
97.10155	3.5
98.06068	3.8
99.04491	1.1
100.07602	0.9
101.02392	1.6
101.46155	0.7
105.07060	4.2
106.06578	1.4
107.08616	7.0
109.06563	1.1
109.10162	3.6
111.08114	1.3
112.07619	7.2
114.05505	0.8
117.07027	1.7
118.79218	0.7
119.08591	2.2
121.10172	3.0
123.08076	0.9
124.07590	5.4
125.09635	4.0
127.03925	1.4
131.08603	1.9
133.10153	1.7
135.08122	2.2
135.11740	1.5
140.07082	1.2
142.08649	5.0
145.10202	0.9
153.09038	1.4
158.08136	8.8
159.11896	0.7
163.11179	0.9
169.17891	0.6
170.08141	3.7
189.11305	2.4
199.74066	0.7
215.53943	0.8
227.12842	2.4
241.04758	0.7
250.18311	0.8
261.22375	1.1
335.25797	5.7
357.24210	0.7
411.15298	0.7
556.11902	0.9
664.44263	2.2
679.92700	0.9
722.37775	1.2
745.79120	0.9
826.49615	100.0
827.49768	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	824.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.9
61.03413	1.8
65.03938	2.3
67.05180	3.8
67.05512	44.8
69.07083	16.6
69.16746	1.8
71.05007	3.1
73.93497	2.0
77.22282	1.7
79.05500	40.2
81.07065	40.3
83.04964	3.2
83.08621	7.8
85.02924	3.0
88.06065	1.8
91.05490	38.7
93.07059	44.3
95.04990	4.2
95.08611	32.4
97.06547	2.9
97.10189	2.6
98.20723	4.2
100.07616	2.0
101.25712	2.2
103.05468	2.1
105.04594	3.1
105.06391	3.3
105.07043	35.5
105.98357	1.9
107.08616	20.6
109.06533	3.0
109.10168	13.7
117.07045	21.1
119.08595	36.4
120.62459	2.1
121.06510	1.9
121.10151	15.3
123.11723	3.2
123.29401	2.5
128.06238	2.6
129.07004	14.4
131.08582	20.5
133.10136	22.0
135.11729	10.6
136.44781	2.0
137.13268	3.6
141.06995	3.1
142.07793	2.7
143.08572	17.8
145.10136	24.5
146.08148	2.6
147.11693	13.9
149.13234	4.7
155.08556	10.8
157.10127	15.3
159.11711	18.9
161.13271	7.0
167.08626	2.9
169.10162	13.1
171.11685	13.0
173.09822	2.1
173.13297	7.4
175.14888	3.5
181.10147	4.9
183.11714	8.2
185.13297	8.3
187.14873	4.6
189.12601	2.2
189.16447	2.0
195.11749	8.0
197.13245	8.6
199.14879	5.2
201.16393	2.4
209.13248	5.7
211.14792	4.8
213.16417	3.8
223.14961	2.5
225.16316	2.7
229.10312	2.2
237.16376	2.5
257.18900	3.5
259.20529	5.6
265.19501	2.3
323.23792	3.4
333.24252	3.4
335.25836	4.7
349.25861	2.9
365.28207	3.0
501.35260	2.4
515.36853	2.0
517.40320	6.7
535.41382	4.4
539.37006	3.0
591.44214	9.9
609.45197	100.0
610.45569	3.8
771.50214	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	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.0
65.03938	1.1
67.05507	15.5
68.05029	1.2
69.03433	33.7
69.07076	7.5
70.02955	2.4
70.06596	3.5
71.04992	2.0
71.52171	0.8
72.04526	1.6
73.02929	0.5
74.20597	0.5
79.05505	8.7
80.05029	1.5
81.03434	2.3
81.07067	8.4
82.06580	3.4
83.05004	0.6
83.08617	1.3
84.04500	3.5
84.08148	18.2
85.02912	2.1
86.06078	3.4
87.04475	13.4
87.38351	0.5
88.04009	4.2
91.05486	5.5
92.04990	0.5
93.07052	7.9
94.06584	4.2
95.04971	1.8
95.08627	6.5
96.04491	0.8
96.08145	0.9
97.02911	1.0
97.06544	1.1
98.06078	2.9
102.05546	6.4
105.07021	3.1
105.30939	0.5
107.08598	3.5
109.10188	5.6
110.06055	1.1
111.08078	0.7
112.07615	85.6
116.07082	0.6
117.07014	1.2
119.08569	2.6
121.10159	2.1
122.09651	0.6
123.04447	0.7
124.07601	0.7
125.09617	0.7
129.07031	0.6
131.08578	2.0
133.10127	1.8
135.11714	1.8
137.09680	0.7
140.07074	100.0
145.10172	1.8
147.11722	0.8
148.07652	0.7
149.09601	1.7
158.08133	11.8
162.12814	0.9
163.11174	2.3
164.07080	0.6
173.11766	1.6
174.07668	1.0
180.13823	1.1
182.11787	0.9
184.07327	1.9
190.12236	1.3
191.10785	0.8
193.12224	0.7
204.13847	0.6
208.13425	1.3
229.14439	2.7
248.16440	0.8
261.22009	0.7
266.17316	0.7
267.15845	1.2
276.15976	1.4
284.18710	0.9
294.16959	2.2
302.12302	1.5
312.17978	1.6
335.25809	5.5
368.20697	1.3
386.21680	1.1
419.25568	0.5
489.35571	1.4
492.32620	0.6
527.36664	0.6
588.41296	0.7
605.59314	0.6
620.40558	0.6
628.41461	2.3
646.32684	0.6
646.43243	19.7
664.44263	35.6
665.44214	0.8
808.47528	1.9
826.52985	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	1.3
61.02931	2.3
61.32184	0.8
65.03934	4.0
65.26204	1.0
67.05506	74.2
69.03443	6.0
69.07068	19.9
70.06571	2.6
71.04984	4.1
71.08628	1.2
73.02911	1.1
79.05494	70.7
81.03423	6.1
81.07057	74.2
83.04972	6.7
83.08620	24.0
85.02917	4.5
85.06544	3.2
88.54520	0.9
91.03983	1.1
91.04904	2.2
91.05478	41.5
93.07045	61.9
95.04964	7.6
95.08610	44.0
97.02879	3.7
97.06518	5.6
97.10175	41.7
99.04427	1.5
99.08073	1.7
105.04534	2.8
105.06322	1.3
105.07034	32.4
107.04948	5.6
107.08593	66.3
109.02869	2.4
109.06498	4.9
109.10156	27.2
111.08076	4.8
115.05424	1.3
116.07088	3.0
117.07021	13.3
119.06061	0.9
119.08574	24.3
119.09370	1.8
121.06548	1.3
121.10154	23.9
123.08086	3.5
123.11715	9.3
125.09631	32.7
127.03911	2.6
129.07022	5.9
131.08578	20.9
133.10130	21.2
135.08043	6.7
135.11682	14.9
135.12613	1.6
137.09615	2.6
137.13252	1.7
141.06995	1.9
143.08551	5.4
143.10686	1.5
145.10129	20.3
146.08162	1.8
147.11691	16.4
149.09612	6.7
149.13234	6.0
151.11220	1.1
153.09099	1.9
155.08592	2.0
157.10143	5.1
159.11707	13.8
161.09578	1.6
161.13249	8.6
163.11186	3.4
163.14827	2.8
165.12703	1.2
169.10139	1.6
171.10181	2.3
171.11702	4.5
173.13220	8.6
175.14847	3.0
177.12813	1.5
177.16333	1.1
183.11711	3.2
185.13208	4.7
187.14795	2.5
189.11227	19.5
197.13217	2.7
199.14825	1.5
201.16408	2.1
203.14363	2.2
211.14835	1.2
213.16402	1.1
215.18056	1.3
219.17523	1.7
227.12779	38.3
229.19550	1.9
239.17975	3.3
241.19522	1.5
243.21092	3.9
245.13857	3.6
257.19009	9.1
259.20627	4.1
261.22177	13.1
267.15945	1.5
275.20065	33.9
293.21194	1.1
300.38977	1.0
312.75177	0.9
313.21558	1.7
314.30600	0.9
317.24896	2.9
331.22699	4.6
333.24292	3.0
335.25815	89.7
336.25983	2.0
349.23724	42.0
351.25369	3.2
367.30032	1.3
368.47940	1.0
389.18118	3.0
400.68018	1.0
420.66608	1.0
423.32233	1.0
428.83859	1.1
450.47327	0.9
487.34082	3.1
505.35278	18.9
517.39984	1.2
517.47418	1.0
519.64618	1.0
535.41095	1.8
545.38062	1.4
553.42719	1.2
555.40088	1.6
591.43695	1.1
609.45123	100.0
610.45380	3.5
627.46118	18.1
649.39606	5.3
822.04425	1.1
824.52844	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	1.5
61.02924	2.7
65.03963	5.2
65.04243	1.3
67.05513	80.0
68.17195	0.8
69.03439	7.3
69.06738	1.6
69.07081	25.4
69.98189	4.1
71.05003	4.7
71.08614	1.0
73.02914	1.0
77.03916	1.8
78.51871	0.9
79.05501	65.7
81.02982	1.3
81.03429	10.7
81.07068	80.4
83.04984	7.8
83.08156	1.0
83.08628	12.3
85.02898	3.9
85.06541	4.3
91.04909	2.1
91.05489	47.2
93.07055	69.3
95.04979	8.6
95.08618	53.9
97.02885	3.7
97.06547	9.8
97.10187	6.7
98.20847	1.2
99.04444	1.6
99.08091	3.8
103.05448	1.1
105.04506	1.3
105.07043	36.6
107.04986	4.6
107.08604	38.5
109.02870	1.1
109.06521	4.9
109.09471	1.8
109.10164	23.3
111.08099	4.5
113.09653	1.2
115.05454	2.2
117.07027	17.3
119.08597	26.1
121.06514	2.6
121.09331	1.7
121.10153	26.1
123.08069	4.0
123.11746	7.5
125.09635	1.9
127.03959	1.8
128.06218	1.5
129.05486	1.6
129.07051	5.4
131.08574	21.7
133.10150	24.4
135.08073	3.0
135.11702	17.0
137.09613	3.0
137.13258	1.7
139.11209	1.2
141.06984	2.1
143.08569	5.4
145.10127	16.8
147.07973	1.9
147.11719	10.9
149.09581	6.7
149.13287	11.0
151.11163	2.4
153.09099	1.1
155.08549	1.8
157.10156	6.1
159.08101	1.5
159.11700	16.6
161.09662	1.2
161.13272	6.8
163.11209	4.5
163.14815	3.2
169.10103	2.0
171.10457	0.9
171.11705	4.7
173.04526	2.7
173.11914	1.6
173.13292	9.2
175.14813	2.8
177.12764	2.9
179.14325	1.1
183.11726	3.5
185.13228	4.5
187.11237	1.2
187.13304	1.1
187.14861	2.8
189.11145	1.1
190.82620	0.9
195.13797	3.2
197.13278	1.8
199.14839	2.0
201.16454	2.3
203.14323	1.8
217.15904	2.1
219.17426	1.8
227.12756	3.9
229.14342	4.5
229.19348	1.0
235.16949	1.9
239.18024	3.4
241.19598	1.2
243.21089	2.9
255.15858	4.6
257.18982	6.8
259.20557	1.9
261.22165	10.3
267.15912	1.8
269.17474	17.5
275.20081	22.7
293.21201	1.3
309.20578	4.3
311.26352	1.1
317.24750	2.4
331.22687	1.3
333.24463	2.1
335.25839	100.0
349.19791	1.7
349.23801	19.5
362.60892	1.0
367.24796	2.9
413.21387	1.7
489.35837	6.2
515.37317	9.7
529.38940	49.6
543.40381	1.9
545.38306	1.4
551.40417	1.5
569.42157	16.7
605.41394	1.0
609.45245	24.0
610.45581	1.1
627.46222	5.4
673.42004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
57.07074	2.1
61.53954	2.1
65.03944	2.3
67.05180	3.5
67.05515	36.6
69.07076	25.8
69.73393	3.9
69.73788	11.4
71.08620	2.3
79.05506	42.7
81.03425	8.2
81.07069	48.1
83.04997	4.0
83.08618	8.5
83.86488	2.5
91.05492	56.5
93.07059	34.3
95.01346	5.0
95.04966	8.2
95.08615	28.0
97.06517	13.0
97.10180	3.5
104.17068	2.2
105.07045	82.8
107.04973	11.1
107.08631	20.4
109.06562	2.5
109.10183	7.7
110.71904	2.0
111.08110	2.6
117.07041	21.3
119.08594	50.6
121.06499	3.1
121.10139	11.4
123.04439	3.5
123.08105	3.9
125.09654	3.9
129.06993	4.7
131.08566	28.5
133.10138	46.8
135.08081	4.0
135.11685	12.3
140.33543	2.3
143.08582	8.3
145.10139	22.6
147.11691	22.4
149.09569	4.7
149.13292	6.6
157.10110	2.6
159.11700	11.6
161.13269	15.8
163.11171	4.1
170.85185	2.2
171.11783	5.3
173.13222	5.2
175.14848	5.5
177.12703	3.0
179.14368	10.5
185.13277	4.6
187.11241	3.5
199.14969	2.9
219.17416	4.1
231.21040	2.8
232.78448	2.2
233.55647	2.4
241.19614	17.2
257.18860	4.8
259.20633	27.2
275.17020	2.2
275.20096	46.2
277.21579	4.0
293.21158	3.0
300.35205	2.4
315.23141	10.3
333.24265	48.8
349.23737	40.2
607.43628	100.0
608.43372	2.8
625.44904	11.9
625.53638	2.5
822.45917	6.5
824.30945	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	4.1
67.05510	9.1
68.05030	3.5
69.03433	5.2
69.05824	1.5
69.07081	2.0
69.53893	3.4
70.06603	13.8
71.01365	0.7
71.05010	1.1
72.08160	0.9
73.02935	5.3
79.05502	7.1
80.05019	6.1
81.03426	2.0
81.07071	7.0
82.06592	6.3
83.04976	0.6
83.08629	1.5
84.08144	4.2
85.02915	5.5
91.03960	3.6
91.05476	3.4
93.07061	7.4
94.06589	0.9
95.05001	1.2
95.08623	5.6
96.08152	3.7
97.02908	4.0
97.06554	0.8
97.08952	0.7
97.10206	1.5
99.04489	1.1
101.02412	1.8
105.07052	2.9
106.06597	1.7
107.08620	2.4
108.04527	0.5
108.08160	0.6
109.02911	1.2
109.10175	2.3
110.06055	0.8
114.02880	0.6
115.03995	0.7
117.07063	0.9
118.06474	0.9
119.08615	2.1
120.08142	1.0
120.62287	0.6
121.10152	2.7
124.07651	2.1
125.09672	1.2
126.09198	1.3
127.03941	1.4
131.08643	0.8
133.10165	0.7
135.11713	1.5
138.05556	0.9
145.10193	0.6
150.09134	0.7
163.11360	0.6
168.97643	0.5
178.15816	0.6
184.07324	0.7
188.14404	1.0
206.15518	1.8
208.17122	1.0
214.50665	0.6
216.13959	2.1
234.14923	9.2
236.16489	8.1
250.18301	0.8
252.15903	2.7
254.17542	12.7
264.15979	0.7
278.17599	2.4
296.18701	2.0
308.18719	0.9
310.20172	1.5
326.19833	1.3
328.21454	1.6
335.25742	2.8
352.21313	0.7
458.07697	0.6
464.69040	0.6
586.41254	5.8
588.42627	10.7
609.48102	0.6
630.43701	4.5
748.45813	1.9
750.48029	1.3
792.49005	100.0
793.48682	3.6
824.51093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.8
57.07077	2.9
60.38356	1.2
61.02936	2.6
65.03931	3.4
67.05511	85.9
69.03425	5.0
69.06731	1.8
69.07075	24.4
69.56512	7.8
71.04996	8.4
79.05499	56.4
80.39370	1.1
81.03419	7.6
81.07061	90.5
83.04988	25.6
83.08610	7.7
85.02895	3.9
85.06542	6.8
91.04902	2.0
91.05488	66.6
93.07048	68.1
95.04977	12.4
95.08614	47.5
97.02893	1.9
97.06547	6.2
97.10165	4.3
99.04444	2.0
103.05439	2.4
105.04549	1.7
105.07040	52.2
107.04974	6.1
107.08602	52.1
109.06527	10.5
109.10168	57.3
111.08088	4.5
113.05991	1.7
113.09619	1.3
115.05422	1.8
115.07621	1.3
117.07016	9.8
119.08583	15.8
121.06509	5.5
121.10161	21.0
123.04449	1.3
123.08052	3.6
123.11708	12.3
125.09615	1.9
127.07527	1.9
128.06209	2.2
129.07010	4.7
131.08577	19.1
133.06480	3.5
133.10144	69.6
135.08032	7.2
135.11685	11.8
137.09625	2.7
139.11191	1.3
143.08611	6.0
145.10129	10.2
147.08051	3.5
147.11696	8.5
149.09618	5.8
149.13235	5.1
151.11198	27.7
157.10118	3.6
159.11708	7.2
161.09639	4.9
161.13303	6.0
163.11171	2.3
163.14848	2.6
169.12346	6.8
169.13518	1.2
171.11702	4.4
173.13257	5.6
175.11165	3.8
175.14804	1.9
183.11763	1.8
185.13278	1.7
187.14842	2.1
191.14185	1.9
215.12784	3.4
227.17996	1.4
243.21138	3.5
245.19110	3.8
251.12778	2.9
253.14378	94.5
255.17479	3.1
259.20651	3.0
261.22177	14.1
263.20078	2.8
269.14035	1.3
271.15494	2.0
273.18484	21.3
275.20059	1.6
291.19577	21.2
309.20432	2.3
317.24628	2.3
333.24268	2.8
335.25827	100.0
347.22263	8.9
365.23248	38.3
365.26654	0.9
417.30060	1.8
457.32965	1.5
513.35559	6.2
529.35217	3.9
531.36841	39.6
543.40521	1.7
607.28961	1.5
607.43707	9.0
611.46594	1.5
625.44647	78.7
626.44452	2.2
724.28217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.7
57.07035	1.4
59.04967	0.8
61.02907	1.0
64.84996	0.4
65.03936	3.3
67.05504	47.8
67.05834	1.7
68.75048	0.4
69.03429	7.7
69.07067	27.2
71.04997	2.3
71.08617	0.8
73.02847	0.4
77.03892	0.9
79.05491	36.9
81.03425	4.4
81.07054	45.1
81.07512	1.4
83.04983	4.3
83.08620	10.3
85.02876	1.2
85.06506	1.6
86.09676	0.7
91.05478	25.0
93.07043	35.5
95.01299	0.6
95.04966	6.9
95.08604	35.5
97.02885	9.6
97.06527	3.8
97.10156	10.4
98.61966	0.5
99.08070	0.7
101.06624	0.5
103.05437	0.7
105.04528	1.0
105.07027	16.9
106.74086	0.5
107.04956	4.9
107.08595	20.7
109.02858	0.7
109.06515	3.1
109.10151	15.1
111.08087	2.2
111.11705	0.7
115.05408	0.7
116.06224	0.6
117.07016	8.9
119.04910	1.1
119.08578	14.4
121.06491	2.8
121.10142	13.8
123.08047	3.1
123.11710	2.8
125.05869	0.6
125.09632	6.0
127.07520	0.9
129.05486	0.5
129.07011	2.7
130.07756	0.9
131.08574	9.5
133.06476	2.4
133.10117	7.7
134.07227	0.8
135.08064	3.7
135.11699	8.2
137.09589	1.7
139.11105	0.8
141.06943	0.6
142.07661	0.5
143.08569	2.4
145.06505	0.8
145.10124	6.7
147.08034	4.7
147.11690	4.7
149.09566	1.8
149.13271	5.4
151.11189	0.8
153.09085	1.0
157.10135	2.3
159.07997	0.7
159.11691	5.3
161.09592	1.6
161.13234	2.6
162.10342	0.7
163.11128	1.7
163.14781	1.8
165.09088	1.4
165.12610	0.4
168.52565	0.5
169.10031	0.7
169.12177	0.7
171.10086	1.2
171.11662	1.3
173.11852	0.8
173.13232	3.2
175.11139	1.6
175.14757	1.5
177.12715	1.2
177.16376	0.8
183.11623	0.7
184.07317	1.8
185.13306	1.0
187.14804	1.4
189.11241	3.2
190.69548	0.5
195.13716	0.8
201.16432	0.6
205.12186	1.9
211.13161	0.6
223.13280	17.1
227.12762	2.6
237.16388	0.6
243.21144	2.5
245.19000	0.7
249.14822	2.5
253.14110	0.6
255.17412	1.0
259.20575	0.6
261.22131	9.3
264.74686	0.7
267.15906	0.8
273.18481	11.3
275.20062	0.8
277.21362	0.5
280.27625	0.4
291.19531	90.0
292.20035	1.0
309.20496	0.6
317.24771	3.7
335.25787	94.6
336.26056	1.7
347.22287	2.2
365.23224	53.9
366.23651	0.8
413.80762	0.5
429.21713	0.6
505.35388	0.7
527.37549	1.0
545.38452	4.2
551.40912	0.6
607.43549	3.3
625.44598	100.0
626.44958	3.1
643.45386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34368	6.9
67.05496	23.6
69.07047	6.3
69.16224	59.8
69.16639	10.9
79.05501	8.1
81.07050	30.0
93.07037	16.4
95.08591	8.5
98.20710	12.2
103.64759	6.2
104.83546	6.1
105.07012	12.6
109.10178	11.6
121.10114	7.6
130.04170	6.4
133.10103	7.9
135.11676	9.5
147.11852	7.1
199.11523	7.4
213.31061	6.8
261.22263	12.2
306.00800	7.2
335.25845	100.0
401.59247	7.1
418.88425	7.3
445.92072	6.8
560.98395	7.7
595.47424	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	820.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
57.07081	94.9
58.69273	0.8
59.05006	30.5
60.17987	0.7
67.05489	1.0
69.07071	3.1
69.81676	3.3
70.06614	0.8
71.04983	0.8
71.08637	94.1
73.02924	1.6
73.06567	2.9
79.05487	0.9
81.07072	1.6
83.08614	2.8
85.06003	0.8
85.10189	88.9
86.10495	0.9
87.04475	16.7
87.04980	1.2
87.08085	0.8
87.64820	0.8
89.06039	100.0
90.06384	0.8
91.05508	1.0
93.07070	1.6
95.04960	0.8
97.10191	1.5
99.11749	10.3
101.09669	1.3
103.07606	2.3
107.07097	1.6
115.12628	0.7
117.09148	10.3
129.09204	0.9
130.08672	2.7
131.07057	6.5
133.08617	81.0
135.10175	1.0
141.16389	11.3
147.10184	1.0
159.10214	0.8
161.11688	1.1
175.09691	5.6
177.09668	1.6
177.11235	34.8
191.12857	0.9
193.63730	0.8
199.20581	22.1
219.12286	3.0
221.13861	7.6
237.13609	0.8
239.14920	1.7
240.23293	2.0
257.24829	8.9
265.16592	2.1
283.17673	2.6
309.19141	1.6
311.20535	0.8
327.20203	2.2
353.21759	1.9
382.49716	0.7
441.27017	0.9
503.30597	1.1
547.33380	10.8
587.36188	1.1
697.92383	0.9
712.17548	0.9
820.48157	1.0
820.59717	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	820.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	66.5
59.05005	13.1
67.05495	1.9
68.50029	0.6
69.07063	2.1
71.01432	1.3
71.08640	44.0
73.02934	1.4
73.06570	4.9
77.70110	0.5
79.05506	1.3
79.63950	0.5
81.07070	1.6
81.70644	0.6
83.08620	1.5
85.06522	0.7
85.10192	35.8
86.08817	0.6
87.04480	19.8
89.06040	100.0
90.01868	0.6
91.05495	0.9
91.07630	0.8
93.07077	1.2
94.69064	0.6
95.08604	1.1
97.10205	1.0
99.11755	5.6
103.07593	6.4
107.07089	1.8
113.06020	1.4
113.13292	2.3
117.09137	5.3
119.08570	0.7
130.08649	3.9
131.07068	6.5
131.10657	0.6
133.08617	75.6
135.10124	0.7
135.12448	0.6
141.16318	0.6
147.10138	1.0
155.17963	3.7
161.11743	2.6
175.09660	4.5
176.38295	0.5
177.11243	33.0
179.12843	1.1
181.78378	0.6
195.34425	0.6
195.59868	0.6
199.20663	0.6
199.83755	0.6
201.11250	0.7
201.38675	0.6
212.86536	0.6
213.22171	3.9
219.12366	2.6
221.13866	7.9
239.15005	1.6
257.24786	5.6
265.16479	2.1
283.17590	2.5
291.19632	1.1
309.19131	2.2
327.20151	1.7
353.21591	0.7
371.22849	0.8
375.93719	0.6
397.24698	0.9
441.27042	1.1
459.27966	0.9
591.35834	5.1
631.39868	0.8
803.57672	1.4
820.59875	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	822.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.9
57.07079	3.0
61.02925	1.7
65.03930	4.6
67.05509	89.4
69.03441	6.5
69.07073	22.4
69.39674	5.7
69.40091	2.7
71.05002	5.8
73.02922	1.3
75.87889	1.1
77.03890	1.3
79.05498	58.1
81.03407	8.9
81.07064	76.8
83.04990	28.5
83.08628	8.6
85.02901	2.2
85.06527	4.6
86.09737	1.3
89.06058	1.4
91.05486	55.7
93.07052	70.2
93.17651	1.1
95.04977	13.9
95.08611	51.0
97.02906	3.3
97.06525	5.5
97.10153	3.7
98.20832	2.5
99.08115	1.3
105.04491	1.9
105.07037	45.0
107.04971	8.8
107.08604	47.8
109.06535	9.0
109.10163	46.5
109.11289	1.4
111.08067	4.7
113.05990	2.0
115.05477	2.0
117.07026	12.5
119.07815	1.7
119.08589	21.4
121.06517	8.0
121.10144	23.8
123.04362	1.6
123.08083	8.3
123.11714	10.1
125.09608	2.9
127.07571	2.8
128.06195	2.6
129.07016	5.7
131.08574	18.6
133.06494	6.0
133.10141	58.7
135.08049	9.1
135.11688	12.9
137.06004	1.4
137.09610	4.5
139.07555	1.4
141.06935	1.6
143.08588	5.6
145.06395	1.1
145.10139	12.9
146.08138	4.3
147.08055	5.1
147.11688	7.6
149.09647	8.2
149.13272	6.7
151.11198	26.0
155.84406	1.1
157.10098	5.0
159.08080	2.7
159.11708	8.0
161.09663	9.2
161.13268	5.2
163.11165	3.9
163.14821	1.4
165.09100	1.6
166.31116	1.1
169.10097	1.6
169.12254	4.9
171.11722	4.3
173.13333	5.5
175.11206	4.3
175.14839	1.7
177.09055	1.7
179.10704	2.1
184.07307	3.9
185.13286	2.2
187.11215	1.8
187.14919	1.7
189.12727	2.5
191.14317	1.7
195.11700	1.3
199.11284	1.7
199.14812	1.8
213.12842	1.5
215.12750	1.9
223.13237	1.5
227.17847	3.1
233.15393	1.6
243.21036	2.5
245.19012	6.1
251.12755	4.2
253.14383	65.0
255.17464	3.7
259.20627	1.8
261.22171	11.2
262.31430	1.2
263.20135	5.4
273.18509	33.5
275.20154	1.4
291.19559	38.8
309.20538	3.1
317.24710	1.4
333.24139	1.8
335.25824	72.3
347.22198	14.3
365.23257	56.4
417.29810	1.9
489.35532	1.7
513.35864	5.5
527.37744	1.4
529.35278	2.4
531.36768	15.2
545.38629	1.4
597.45068	1.3
607.43561	10.8
625.44684	100.0
626.45227	2.4
643.45239	2.0
667.77094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38752	0.1
65.03951	0.7
67.05503	0.5
69.03434	1.4
69.32047	0.9
73.82377	0.1
81.03426	1.8
82.20602	0.1
85.02901	0.9
91.05495	0.2
93.03424	0.6
95.04964	0.3
96.90702	0.1
97.02893	0.6
99.04471	0.1
108.02097	0.6
109.02885	1.0
111.04447	0.7
118.04220	0.1
118.73972	0.1
119.04967	0.3
121.02863	0.3
123.04445	0.1
125.05969	0.7
127.03902	0.9
133.10141	0.1
136.01553	0.3
137.06000	0.3
138.22076	0.2
138.48033	0.1
141.05479	0.5
145.05025	0.2
147.04433	0.2
151.03915	44.7
151.04985	2.7
152.04259	0.3
153.01816	0.2
161.09712	0.2
165.09099	0.2
169.01337	0.7
169.04979	2.4
177.05554	0.2
184.03571	0.1
192.25343	0.1
205.12344	0.1
213.05492	0.3
237.05498	0.2
241.04932	0.2
255.06514	0.2
257.04575	0.3
266.05719	0.2
267.06302	0.2
269.04471	1.7
272.03128	2.1
283.05984	1.9
284.06790	0.8
285.04108	0.3
286.04715	0.4
287.02252	0.3
287.05518	6.3
295.08264	1.5
297.03940	11.3
299.05511	0.6
300.02832	0.6
301.03958	0.2
301.07016	0.8
311.05505	1.2
312.06271	3.2
313.09229	1.9
315.04990	39.7
316.05582	0.6
329.06415	0.3
330.07346	10.1
331.07581	0.2
345.09695	100.0
346.10016	1.6
772.78613	0.2
788.16125	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	820.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.9
57.07084	3.3
59.05016	5.5
61.02953	1.6
61.52993	0.9
65.30379	0.9
67.05514	15.5
68.99787	1.5
69.03439	10.2
69.07079	54.7
70.06586	1.9
71.05002	7.7
71.08639	1.0
71.52285	0.8
71.52660	0.9
73.02931	3.3
73.06554	3.3
73.39513	0.8
76.53091	0.9
77.03920	1.1
79.05505	14.2
81.03423	15.6
81.07066	18.9
82.06602	1.1
83.05003	5.1
83.08634	14.0
85.02918	18.2
85.06554	4.3
87.00838	8.3
87.04494	9.6
87.08115	1.2
89.06046	77.6
91.03983	1.5
91.05479	5.0
93.07056	24.7
95.04993	2.2
95.08148	0.5
95.08617	20.1
97.02909	9.3
97.06550	24.9
97.10176	1.9
99.04462	7.8
99.08129	1.4
100.07622	1.8
101.06036	2.8
103.03975	3.0
103.05499	0.9
103.07589	1.8
105.01873	5.0
105.07050	2.1
107.04960	1.1
107.07081	1.6
107.08613	24.2
109.02894	14.6
109.06496	1.0
109.10165	9.4
111.08086	6.8
111.11743	6.0
115.07568	2.0
116.07134	1.1
117.01881	1.2
117.09147	1.8
119.08585	1.6
121.06522	0.8
121.10162	2.9
123.11699	1.4
125.09677	0.9
125.13259	0.9
127.03938	16.6
129.01871	2.0
129.09094	0.9
130.08638	2.0
131.07079	5.0
133.08624	65.5
135.11716	60.6
137.06088	0.9
138.27196	0.7
139.11174	3.2
145.04951	4.7
145.10118	1.1
146.08130	5.4
147.04498	0.8
147.08171	1.0
147.11732	1.0
149.05965	1.0
149.13364	0.9
150.20198	0.8
151.07620	0.9
153.12773	59.3
157.12288	4.2
159.02922	7.0
167.07059	1.2
171.13826	47.4
175.09660	4.5
177.05486	1.0
177.11259	25.7
183.13785	1.6
197.15401	100.0
201.14917	1.2
205.76842	0.8
211.17003	1.6
213.04008	1.0
213.14931	2.6
215.16444	21.2
219.12300	1.5
221.13889	9.8
229.18037	3.9
231.05009	2.0
239.14951	2.6
241.18192	0.9
255.19611	8.3
257.21118	1.1
259.18994	5.7
265.16516	2.0
273.20599	5.2
283.17548	2.8
286.04874	1.0
301.07062	2.7
303.21719	4.2
309.19165	3.7
327.20193	33.5
329.23407	1.3
347.24396	4.6
367.23279	8.0
385.24088	2.4
391.26898	3.7
435.29700	3.2
449.31238	1.1
479.32288	9.9
497.33740	1.8
537.36395	13.1
555.37579	17.5
703.12653	0.9
820.45062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
61.02923	0.4
67.05510	0.1
68.99789	1.0
69.03437	3.1
71.04995	0.5
73.02922	0.3
79.05504	0.2
81.03425	5.1
83.01372	0.1
83.04974	0.3
85.02911	3.9
87.00832	1.4
91.03986	0.1
91.05484	0.2
95.04974	0.3
95.08641	0.1
97.02897	6.1
98.03231	0.3
98.21527	0.3
99.04461	1.2
101.74375	0.1
105.01859	0.6
106.02889	0.1
109.02885	9.7
111.04446	0.8
113.02408	0.3
115.03921	0.3
118.04224	0.4
119.04963	0.2
121.02863	0.3
123.04453	0.3
124.03978	0.1
125.02354	0.8
127.03925	58.5
128.04279	0.4
129.01855	0.5
129.05492	0.2
135.04404	0.2
137.06029	0.1
139.03893	0.3
140.01108	0.2
141.01825	1.3
145.04968	1.8
147.02866	0.5
147.04439	0.2
151.03932	0.3
153.01817	0.2
158.04039	0.1
159.02957	0.7
161.06010	0.3
163.03923	0.3
167.07184	0.1
168.00533	2.2
169.01321	0.2
169.05008	0.1
171.02945	0.2
173.05975	0.1
175.03934	0.2
175.45866	0.1
177.05505	0.2
181.04921	0.1
184.05199	0.2
186.01610	1.0
189.03972	0.1
189.05536	0.3
193.04936	0.2
195.02943	0.5
201.03970	0.1
202.92099	0.1
207.06622	0.2
212.04689	0.3
213.03920	1.6
213.05637	0.2
217.04996	0.4
220.06082	0.3
221.06377	0.1
229.05005	0.4
231.05014	1.5
235.06021	0.4
240.04198	0.5
241.04990	0.4
245.08081	0.1
253.07138	0.3
254.06056	0.1
255.06631	0.6
257.04465	0.3
258.05270	1.5
268.03732	0.4
269.04434	1.3
273.06091	0.4
283.05984	0.2
285.03912	4.6
286.04730	53.6
287.05066	1.0
298.04684	0.2
300.06253	0.2
301.07074	100.0
302.07425	2.0
303.07095	0.2
313.07101	0.7
321.06079	0.4
339.07211	0.8
343.08160	0.8
357.08249	1.5
375.09338	0.6
391.08005	0.2
400.12366	0.2
401.12595	0.3
409.09296	0.3
495.09387	0.1
501.12292	0.1
517.11530	0.1
531.11487	0.1
621.12164	0.4
639.13165	0.4
639.23639	0.1
657.15125	0.5
675.15704	0.2
693.16248	0.1
729.48456	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	817.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
57.71993	0.2
63.81414	0.2
65.03929	1.0
67.05503	0.3
68.99792	0.5
69.03438	1.1
71.04984	0.3
71.10865	0.4
79.05494	1.4
81.03425	2.6
81.07045	0.7
82.06580	0.3
84.78773	0.2
85.02910	1.1
86.09708	0.4
86.93551	0.2
89.03923	0.5
91.05487	6.1
93.07025	0.7
95.04961	0.8
95.08593	0.7
97.02893	0.8
97.06511	0.3
99.04448	0.5
103.05447	0.4
105.04495	0.3
105.05451	0.2
105.07014	0.8
107.04966	12.8
107.08582	0.9
109.02901	1.1
109.06535	0.4
109.10143	0.5
111.04475	0.3
115.05413	0.4
117.03365	0.3
118.04155	1.1
119.04948	6.0
119.08591	0.4
121.02845	0.7
121.06458	0.3
121.10128	0.5
123.04425	0.4
124.37082	0.3
127.03921	1.8
131.04915	0.2
132.02037	0.5
133.02855	1.6
133.06496	1.1
133.10133	0.3
134.03596	0.3
135.04440	4.1
136.05188	1.0
137.06004	2.1
140.01007	0.5
145.02818	0.7
145.03986	0.8
145.06453	0.7
147.04430	2.8
149.02347	0.7
149.06007	0.4
151.07553	2.5
153.01828	0.2
155.07053	0.3
157.03960	0.5
158.03622	0.7
159.04291	0.2
161.06030	1.3
163.03920	8.7
164.04706	0.6
165.05521	3.3
167.07082	1.5
168.00552	4.0
169.01352	0.4
173.06000	1.3
175.03926	5.7
177.05499	1.4
177.16383	0.5
178.07776	0.6
179.07057	17.9
179.08461	0.8
180.07822	9.6
181.04980	0.2
184.03557	0.2
184.05177	0.4
186.01611	2.4
186.03139	0.4
189.07018	0.6
191.07091	0.4
195.06474	1.7
201.05484	14.9
205.06522	0.5
206.07298	0.7
207.08124	1.2
209.06009	0.2
212.04695	0.7
213.05412	0.4
217.06494	0.4
220.05190	0.6
221.05931	0.3
229.05051	0.6
233.05959	0.4
234.06795	1.4
235.07542	2.4
237.05467	0.3
240.04178	1.0
241.04987	1.0
245.05943	0.3
245.08197	0.3
248.04785	0.4
249.08952	0.3
255.06615	1.0
257.04449	0.5
258.05179	2.1
262.06339	1.1
263.07037	1.9
265.05032	0.6
267.10165	0.3
268.03671	0.6
269.04456	3.6
270.05078	0.2
277.05713	0.2
277.08640	0.7
279.06488	0.2
280.07214	0.3
281.08041	0.3
285.00827	0.3
285.03970	7.5
286.04736	73.6
287.05203	1.3
290.05649	0.5
291.06546	1.2
295.09695	0.7
301.07083	100.0
302.07355	1.9
305.08081	0.7
307.06104	0.3
322.08264	0.3
323.09152	2.4
325.10486	1.1
327.12360	0.3
337.10849	1.7
355.11771	22.3
356.12170	0.3
356.24985	0.2
398.14267	0.2
499.16040	3.1
517.17047	1.6
773.85870	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88091	0.2
67.05492	0.5
68.99783	0.5
69.03416	0.7
71.37874	0.3
71.38204	0.3
73.82446	0.2
81.03419	3.5
81.07011	0.3
85.02898	0.7
91.05471	1.0
93.07039	0.3
94.04184	0.7
95.04958	0.3
95.08620	0.3
96.23351	0.3
97.02858	0.6
97.06541	0.3
99.04465	0.3
102.04691	0.4
105.07012	0.8
106.45078	0.2
107.04951	0.3
107.08588	0.3
108.66396	0.3
109.02868	0.8
109.06538	0.3
110.30811	0.2
114.46854	0.3
115.05440	0.6
117.07017	0.4
118.04155	0.8
119.04947	1.0
121.02843	0.4
122.03649	1.4
125.05998	0.5
127.03904	0.4
128.06207	0.3
130.04167	0.5
131.04936	0.6
133.06456	0.5
135.26152	0.2
137.05988	24.4
138.06258	0.2
140.01027	0.5
143.04855	0.3
145.02872	0.3
145.06465	0.8
147.04437	1.1
148.05171	0.2
149.05995	0.4
151.03896	1.8
153.05476	0.3
157.06451	0.4
158.03661	0.9
159.04427	0.3
161.06013	2.1
162.06802	1.2
164.67419	0.2
168.00566	5.0
169.01268	0.4
173.05977	2.2
175.03934	0.6
177.05537	0.5
177.06964	0.4
178.07788	0.8
179.03406	0.3
184.05215	0.4
185.05952	0.7
186.01601	1.8
186.03162	1.3
187.07545	0.3
189.06996	1.4
191.07062	0.4
194.07310	0.6
199.03963	0.3
201.05481	24.6
203.07004	0.5
205.06461	3.2
206.07309	2.2
207.08083	0.4
212.04735	0.7
213.05479	3.5
214.06369	0.4
217.06541	1.4
218.07251	0.7
219.08075	0.7
220.05180	0.4
221.06041	0.5
221.09572	0.8
222.06799	1.2
223.07523	0.6
229.04834	0.6
231.06393	1.5
233.05988	3.6
234.06783	7.5
235.07578	2.2
237.09067	1.8
239.06982	0.4
240.04169	0.9
241.04913	0.9
244.05118	0.4
245.05971	1.9
245.08138	0.4
246.06783	0.5
247.07523	0.8
248.08284	0.8
249.05603	0.4
249.06581	0.4
249.09109	2.8
250.06268	2.3
251.07095	1.3
255.06483	0.6
257.04236	0.4
258.05182	2.3
259.07559	0.7
261.05508	1.6
262.06262	8.5
263.07040	2.1
264.07867	1.0
265.08621	4.9
266.09424	1.0
267.06769	0.5
267.95441	0.2
268.03635	0.8
269.04501	3.8
270.05225	0.3
271.06015	0.9
272.04636	0.4
273.05530	2.5
274.06238	0.9
275.07022	0.3
276.07852	0.9
277.08603	9.8
278.05762	1.2
278.09259	0.5
279.06516	1.8
279.09818	0.4
280.07425	0.3
281.11838	0.5
282.08801	0.4
283.05988	0.3
285.03976	7.5
286.04733	75.0
287.04532	0.5
287.07053	1.2
289.05011	1.2
290.05737	13.1
291.06650	0.6
291.10172	0.7
292.07272	2.5
293.08087	5.3
294.08752	1.4
295.06317	0.4
295.09518	1.1
297.11176	0.7
301.07080	100.0
302.07428	1.4
304.07239	1.0
305.08102	21.9
306.08588	0.4
307.06052	0.6
307.09625	7.2
309.08026	0.3
309.11206	1.5
310.08328	0.6
319.09558	1.6
321.07678	0.5
322.08386	2.2
325.10721	31.7
326.11023	0.6
337.10715	53.7
338.10770	1.2
339.12387	0.8
355.11786	11.1
372.67328	0.3
469.14951	3.7
481.14844	0.8
486.36130	0.3
487.15912	2.0
499.15939	2.2
517.17145	5.5
761.86652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
61.02931	5.9
65.03931	1.4
67.05515	7.5
69.03439	4.1
69.07068	3.3
69.25354	11.5
71.04981	1.3
73.02933	5.1
76.28984	1.1
79.05481	6.7
81.03425	6.9
81.07071	8.9
83.04979	2.0
83.05648	1.1
83.08637	2.2
85.02921	5.2
87.04469	1.2
91.03975	3.0
91.05473	8.6
93.07048	6.3
93.92159	1.3
95.04993	2.5
95.08617	3.9
97.02907	4.1
97.06535	2.8
101.02370	1.3
105.07045	4.8
107.04927	1.6
107.08635	3.9
109.10224	2.1
109.51841	1.1
117.07066	1.5
119.08602	3.7
121.10172	2.9
127.03950	1.6
129.07018	1.3
131.08588	2.8
133.10175	1.6
137.15607	1.3
145.10124	1.6
146.90857	1.1
147.11731	2.1
149.09515	1.4
157.10132	1.7
161.13249	1.3
183.02907	1.4
193.12331	2.3
243.08540	4.7
267.16013	1.7
283.15256	4.8
323.79214	1.3
333.20468	2.4
453.21173	1.5
491.17050	2.0
501.22952	14.8
509.17966	6.8
510.59479	1.6
551.28534	9.4
719.43896	1.3
721.37756	2.7
811.44489	100.0
812.44415	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	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
57.07075	0.7
61.02935	4.8
67.05511	5.7
69.03439	4.0
69.07068	2.1
71.01331	0.8
71.04980	0.5
71.43919	1.0
73.02917	3.2
78.19833	0.5
79.05492	4.3
81.03417	1.7
81.07060	6.4
85.02921	4.8
87.04507	0.7
91.03967	3.1
91.05502	3.2
93.07051	5.6
95.04996	0.7
95.08620	4.7
97.02890	4.3
97.06532	0.8
99.04479	0.8
101.02397	1.9
105.07031	2.6
107.08620	1.9
109.02912	0.6
109.10182	2.0
115.03967	0.6
117.07007	1.1
119.08601	2.1
121.10133	1.7
127.03892	0.5
131.08600	1.7
133.10162	1.7
135.11742	1.0
145.10114	0.7
159.11644	0.5
179.14359	0.7
181.50345	0.5
219.17511	0.6
231.09692	0.5
243.08464	2.5
284.89011	0.6
315.19339	5.6
335.25903	0.8
371.22040	0.8
428.10773	0.6
452.01801	0.6
519.29401	7.8
533.27283	5.0
811.49713	100.0
812.50171	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	11.1
57.07076	4.5
67.05511	70.9
69.07085	24.6
79.05497	73.2
81.07066	68.3
83.08616	11.6
91.05488	68.9
93.06494	5.9
93.07054	88.0
95.04984	11.4
95.08618	69.8
97.10181	5.0
98.20732	8.6
103.43988	3.5
105.07047	60.8
107.08600	39.4
109.10175	25.4
117.07018	17.9
119.08585	48.7
121.10146	38.9
123.11735	5.6
129.07011	8.6
131.08611	31.9
132.72319	4.1
133.10132	38.8
134.49126	4.1
135.11688	18.8
143.08527	7.9
145.10149	20.5
147.11717	31.1
149.13255	17.2
149.78471	4.9
157.10110	6.3
159.11729	25.1
161.13278	24.5
163.14806	7.2
169.10173	4.6
170.06320	3.8
171.11761	10.8
173.13287	13.1
174.21608	4.5
175.14793	7.4
185.13306	12.7
186.46797	3.9
187.14830	5.7
231.21069	4.6
241.19548	23.9
243.21075	6.8
257.19095	5.6
259.20575	59.0
261.22092	14.5
315.23181	5.8
333.24277	62.1
335.25818	100.0
396.75983	4.5
464.72531	5.0
519.41528	5.9
593.45313	13.4
598.35669	4.2
611.36285	4.8
611.46729	70.4
701.48669	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	810.4999
Annotation	Pitipeptolide B
Peak:m/z	Relative Intensity
57.03357	1.8
57.03609	0.7
61.02821	2.8
65.37978	0.8
67.05396	10.8
67.05787	2.0
68.04936	1.7
69.03340	1.5
69.05734	0.8
69.06959	2.1
70.06067	3.1
70.06482	73.7
70.07121	2.9
71.04918	1.5
71.52283	0.9
72.08087	1.2
73.02840	1.5
73.03179	0.8
78.66358	0.6
79.05378	7.2
79.05871	1.0
80.04929	1.0
81.03340	1.2
81.06934	8.1
81.07459	1.4
82.06503	1.6
83.04901	1.7
83.07264	1.1
83.08509	1.3
84.07980	0.8
85.02788	3.3
91.03857	1.4
91.05358	3.7
93.06917	6.7
95.04898	0.8
95.08467	5.3
95.09113	1.5
96.08016	2.1
97.02769	2.0
97.06418	1.2
99.04357	1.1
100.07519	1.2
105.06910	2.2
106.06437	0.7
107.04837	1.7
107.08456	3.7
109.06398	0.9
109.10037	2.8
111.04308	2.3
111.08040	0.7
117.06903	1.1
119.08500	1.5
121.09988	4.7
123.07984	0.7
124.07472	0.9
127.03853	0.9
128.06905	0.7
131.08443	1.8
133.09995	1.0
135.11694	3.4
140.06892	2.2
142.08640	4.7
143.30679	0.7
145.10138	3.3
147.11580	0.9
149.09477	1.3
153.12604	1.9
155.08455	0.8
163.11148	3.6
173.09592	1.1
181.12077	2.1
191.10574	1.4
209.11594	0.9
227.12752	1.7
231.63014	0.7
236.16521	4.8
253.51762	0.7
254.17537	10.2
278.17325	2.2
296.18600	10.2
310.19864	0.8
314.19629	11.2
328.21005	2.5
335.25662	2.7
365.77899	0.8
370.22339	7.1
388.23227	11.8
522.67395	0.7
532.27771	0.8
566.50134	0.7
588.42896	5.5
607.12360	1.0
630.43707	2.9
648.44727	100.0
649.44983	3.1
792.49048	3.1
810.50043	51.8
811.50604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
61.02928	3.7
64.41489	0.5
65.03952	0.6
67.05511	12.8
68.05027	2.6
68.36065	0.5
69.03440	2.3
69.05824	0.8
69.07070	3.9
70.06597	100.0
71.05004	2.4
71.06930	0.5
73.02925	3.2
79.05500	8.8
80.05050	0.7
81.03454	1.2
81.07058	11.3
82.06578	1.0
83.04983	2.8
83.07337	0.6
83.08628	0.9
84.08153	1.0
84.94401	0.4
85.02912	3.4
89.77145	0.5
91.03957	1.4
91.05491	4.9
93.07054	11.5
95.04974	2.0
95.08609	7.1
96.08142	2.5
97.02890	3.1
97.06523	1.2
97.10191	0.7
98.06052	0.6
98.09706	0.9
99.04466	1.0
100.07628	0.7
101.02414	1.2
105.07034	2.8
106.06552	0.6
107.04960	1.4
107.08580	4.6
109.06519	0.6
109.10164	3.6
111.04434	3.8
111.08099	1.3
117.07077	1.5
119.08575	2.7
121.10149	4.9
124.07577	0.6
131.08594	2.0
132.58763	0.5
133.10149	1.3
135.11723	3.2
139.11139	0.6
140.07080	1.3
142.08641	6.5
145.10114	3.3
147.11818	0.8
149.09608	1.1
149.13304	0.7
153.12810	1.2
160.35681	0.5
163.11215	3.5
169.45886	0.5
173.09641	0.8
181.12300	2.1
191.10744	2.0
209.11774	1.2
226.18121	0.9
227.12611	2.4
229.16122	0.6
234.14890	0.7
236.16454	5.4
252.16512	0.5
252.19650	0.8
254.17523	9.7
278.17703	1.7
296.18616	9.2
310.20255	1.5
314.19647	12.6
328.21225	5.1
335.25858	3.7
370.22253	5.2
388.23300	16.4
550.27795	0.6
574.13373	0.5
588.42474	6.4
602.55878	0.5
619.17804	0.6
630.43634	6.2
648.44745	97.2
649.45111	3.5
681.47040	0.5
792.48999	5.5
810.50073	64.0
811.50854	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	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03221	0.7
57.03447	6.5
57.07073	1.8
60.85445	0.7
65.03941	2.0
67.05511	35.0
69.07073	15.1
69.33184	3.3
69.33609	2.9
70.06584	0.7
71.04999	1.4
79.05500	25.0
81.03445	3.3
81.07066	41.4
83.04984	3.2
83.08628	4.9
85.06548	2.0
91.05490	25.9
93.07050	28.0
95.01341	3.0
95.04977	3.0
95.08616	27.3
97.06549	8.5
97.10191	1.0
99.08127	1.0
105.04474	0.8
105.07038	30.5
107.04969	5.3
107.08596	13.0
109.05895	0.8
109.06528	4.3
109.10174	9.6
111.08109	1.0
115.05434	0.9
117.07037	7.0
119.08588	19.0
121.06541	1.9
121.10166	10.2
123.08076	2.1
123.11751	2.0
125.09664	1.3
129.07059	1.3
131.08591	11.8
133.10149	15.8
135.08054	2.4
135.11697	5.7
137.09644	1.9
143.08588	1.6
145.10136	10.0
145.11157	0.9
147.11705	7.8
149.09668	2.7
149.13332	2.6
151.11188	1.1
157.10165	1.5
159.11740	4.9
161.13313	1.8
163.11249	1.5
163.14848	0.9
169.10185	0.7
171.11711	2.0
173.13307	2.7
173.86023	0.7
175.14850	1.1
177.12776	0.9
179.14333	4.1
184.66287	0.6
185.13231	0.7
188.33130	0.7
201.16321	0.9
219.17459	21.9
247.20708	1.1
257.19101	2.0
258.41818	0.6
275.20081	29.3
293.21252	1.8
296.32504	0.7
335.25833	67.9
349.23779	15.7
403.54321	0.8
609.45190	100.0
610.45813	3.7
627.46118	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55732	2.2
57.03446	3.5
61.02940	2.8
61.27938	2.2
67.05505	27.7
69.07065	5.3
69.18334	6.2
69.18737	17.0
79.05515	12.0
81.07069	26.5
83.08620	3.0
85.02913	2.8
91.05505	11.3
93.07060	25.6
95.08625	22.7
97.02879	3.4
97.10155	2.3
98.48755	2.2
105.07043	9.8
107.08607	11.8
109.10163	9.3
117.07044	3.8
118.26656	2.2
119.08588	4.9
121.10147	11.7
123.11736	4.3
131.08572	6.4
133.10126	5.7
135.11691	6.9
135.29948	2.5
145.10109	3.0
147.11728	6.5
149.13347	4.9
159.11699	5.1
163.14890	2.7
165.12846	2.2
173.13242	3.1
175.14761	2.5
243.21230	4.3
259.20657	3.3
261.22180	15.0
263.23599	2.5
277.67825	2.2
304.26331	5.9
333.24289	4.9
335.25824	100.0
337.27213	3.6
453.75415	2.5
471.37460	2.5
595.46655	13.1
613.47797	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	806.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	47.8
59.05011	12.4
66.00057	0.6
67.05515	1.4
69.07075	1.8
71.04953	0.7
71.08638	43.7
73.02921	2.5
73.06565	5.8
79.05501	0.8
81.03338	0.6
81.07030	0.9
83.08642	1.6
85.09663	0.8
85.10191	37.1
87.04479	20.1
89.06039	100.0
91.05494	1.2
93.07058	1.0
95.04942	1.4
95.08613	0.8
97.10173	1.1
99.11757	3.3
103.07587	5.0
105.07050	0.9
107.07131	1.7
113.06050	1.6
117.09122	5.5
121.10108	0.7
130.08640	4.4
131.07066	6.1
133.08615	71.2
135.10179	1.1
141.16418	4.1
152.97662	0.6
157.08545	0.7
159.10184	0.7
161.11745	1.7
175.09694	5.4
177.11243	33.0
185.19049	0.7
199.20558	3.5
219.12291	2.1
221.13879	7.9
223.15421	1.3
239.14966	1.3
243.23206	4.7
265.16513	2.1
283.17664	1.9
309.19193	1.3
327.20227	1.4
350.70633	0.7
353.21838	1.5
397.24570	1.2
412.18369	0.6
547.33875	1.0
573.35138	0.9
591.35748	6.5
631.39032	2.2
789.55988	0.9
806.58179	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	14.4
57.07062	6.1
65.03944	4.5
67.05144	7.0
67.05507	100.0
69.07072	28.6
69.28265	16.5
69.28695	20.3
71.04998	5.7
79.05502	77.9
81.07056	83.6
83.08637	16.5
84.77571	4.8
91.05490	66.2
93.07045	90.0
95.05030	7.5
95.08615	71.0
102.02969	4.2
105.07040	78.9
107.08594	54.7
109.10178	25.8
117.07035	30.9
119.08594	58.7
121.10144	34.1
123.11716	9.2
129.07040	10.8
131.08577	30.9
133.10123	45.5
135.11697	24.7
143.08578	9.6
145.10121	31.3
146.08168	4.3
147.11696	36.1
149.13286	15.0
157.10156	8.5
159.11761	31.4
161.13281	25.8
163.14781	4.5
171.11673	10.4
173.13292	13.5
175.14787	10.0
185.13326	12.9
187.14674	6.5
241.19499	10.9
243.20903	5.1
257.19016	8.8
259.20599	49.4
261.22220	15.1
333.24258	46.4
335.25824	85.6
337.27539	5.0
350.87775	4.5
361.72595	4.8
593.45599	9.7
595.75684	6.0
611.46680	60.9
653.75281	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	806.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	25.4
57.07068	4.1
59.04997	6.5
61.02914	3.3
65.03921	3.6
67.05511	71.8
69.03423	11.9
69.07074	39.2
69.93829	10.1
71.01339	4.0
71.04993	8.7
71.08635	2.6
79.05073	4.8
79.05502	67.8
81.03426	100.0
81.07064	75.7
82.18885	2.6
83.04973	15.5
83.08164	2.7
83.08630	42.0
85.02904	5.2
85.06566	4.9
87.04472	4.1
89.06056	5.6
91.05486	67.7
93.07050	51.4
93.98695	2.8
95.04978	37.0
95.08618	40.5
97.02912	7.0
97.06542	13.1
97.10178	25.5
99.08106	5.8
103.03940	7.0
103.57374	3.0
105.07053	52.3
107.04947	16.1
107.08604	45.9
109.06525	13.3
109.10181	27.7
111.08091	15.5
113.06008	2.5
115.05416	3.6
117.07022	23.6
119.08600	45.8
121.06519	9.8
121.10151	31.3
123.08073	10.2
123.11710	6.6
125.09644	17.5
125.59502	3.1
127.03949	4.2
129.07011	15.6
131.08578	28.2
133.06499	8.3
133.08594	6.2
133.10141	26.6
135.08038	10.9
135.11696	17.9
137.09602	5.1
141.06955	3.3
142.07756	3.4
143.08578	8.8
145.06444	4.2
145.10150	19.9
147.08044	8.4
147.11719	21.6
149.09621	22.8
149.13251	9.5
155.08548	6.7
157.10155	17.4
158.05515	2.8
159.08067	4.7
159.11703	11.8
161.13272	5.0
163.11192	10.4
165.12752	3.2
171.11703	6.0
173.13283	5.1
175.11288	13.1
177.12791	3.7
183.11678	5.6
185.13271	8.6
189.11214	7.8
189.12724	3.5
193.12250	27.9
199.13319	3.4
217.15779	3.4
223.13094	3.5
227.12770	20.8
229.14386	11.6
239.17831	3.2
249.14665	3.4
253.14186	3.5
255.15996	10.5
257.18976	5.2
267.15930	91.2
269.17496	18.1
273.18576	3.9
275.20096	23.5
291.19550	11.1
349.23840	23.9
365.23318	3.7
366.43002	3.0
367.24695	4.5
419.24136	4.9
421.25711	6.6
437.25272	3.9
443.27823	7.8
447.27475	23.3
449.30325	6.7
459.27319	3.6
461.29065	68.6
475.30127	3.7
477.28113	3.2
493.31699	5.8
501.32065	9.0
519.32849	5.8
523.34058	4.5
541.35309	69.6
559.36505	26.1
591.37769	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	805.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
57.07084	5.0
59.04998	1.2
64.76102	1.0
65.03947	2.0
67.05179	1.2
67.05517	20.8
68.99799	1.9
69.03439	2.0
69.07077	18.0
69.71143	2.7
69.71556	2.2
71.01366	17.7
71.08636	0.8
77.03930	1.5
79.05511	12.8
80.77850	0.8
81.07068	42.8
83.01363	1.2
83.08628	11.2
85.02898	2.2
89.06050	1.2
91.05488	14.8
93.07058	28.1
95.04962	3.3
95.08621	72.5
97.02909	14.5
97.10185	6.6
98.20828	1.2
99.04447	2.3
99.95537	0.9
103.05465	2.5
105.07046	36.3
107.04974	8.9
107.08608	54.8
107.61021	0.8
109.02876	3.6
109.06522	1.1
109.10171	55.8
111.11711	2.4
115.03945	2.7
117.07034	3.1
119.08601	50.8
121.06537	1.8
121.10161	49.6
123.04444	42.1
123.11720	31.4
125.02399	1.4
127.03934	12.9
129.07008	2.9
131.04973	8.5
131.08624	5.8
133.06500	3.3
133.10152	34.3
135.04427	3.8
135.11713	29.4
137.13281	10.6
139.11153	1.2
143.03479	1.1
143.08554	1.7
144.09431	0.8
145.06488	1.8
145.10127	11.7
146.15712	0.8
147.04399	3.5
147.08067	2.3
147.11716	29.3
148.05222	3.4
149.02379	2.8
149.05997	23.2
149.13278	23.1
149.14209	0.5
151.07579	1.4
151.14857	2.5
156.54970	0.9
157.06464	2.5
157.10117	1.6
158.10915	1.0
159.04486	4.1
159.11732	11.6
160.12418	1.6
161.05989	5.6
161.13281	34.0
163.03961	2.8
163.07458	1.4
163.14854	15.6
165.12660	1.0
171.11697	2.3
173.06036	7.8
173.13275	9.5
174.14063	1.7
175.03937	4.8
175.07578	3.2
175.14853	18.3
177.05499	67.7
177.16406	17.6
179.17981	1.3
183.02843	1.2
185.05997	2.7
185.13297	2.8
187.03983	4.4
187.14836	12.5
189.16414	33.3
191.03438	4.9
191.07057	13.8
191.17975	92.0
192.04117	1.0
193.04926	2.4
199.14848	2.3
201.05519	12.1
201.16434	16.4
201.52831	0.9
203.03409	2.8
203.07054	8.7
203.17982	42.4
205.04935	1.7
205.19554	9.5
213.05516	1.4
213.16339	2.5
215.06996	1.2
215.17966	14.1
217.04990	3.3
217.08704	1.4
217.19548	100.0
218.19928	1.3
219.03043	1.2
219.06561	15.7
219.21104	2.2
221.08125	22.5
221.18901	1.2
227.17981	3.7
229.04993	17.5
229.19545	15.3
231.06648	4.0
231.21107	7.0
233.19147	1.3
234.68178	0.9
235.09660	1.6
235.20642	8.6
241.19528	1.8
243.06505	0.9
243.21095	5.3
245.04453	2.2
245.08185	3.2
245.18953	1.9
245.22725	5.7
247.06061	50.2
255.21080	3.3
257.04498	2.1
257.22745	4.4
261.07791	1.3
265.07019	4.4
267.05087	1.1
269.22662	5.1
271.06097	1.2
271.24234	3.3
273.07596	3.9
275.05573	4.4
277.32849	1.0
283.06226	1.2
283.24274	1.7
289.07095	7.7
291.08636	9.6
293.06616	3.1
297.25696	2.5
299.05664	5.6
301.07098	1.6
303.05051	1.6
317.06607	44.0
327.05063	2.1
335.07681	18.7
345.06052	7.8
353.32227	5.5
363.07123	29.9
381.08179	7.8
407.36783	56.1
408.37396	1.6
425.37732	6.5
805.44550	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03200	1.7
57.03444	23.8
57.07079	13.1
57.38809	1.4
59.04996	6.9
61.82893	1.5
65.03938	5.8
67.05511	78.1
69.03433	2.4
69.07067	14.3
71.04987	4.5
71.08627	7.2
79.05502	50.2
81.03423	2.3
81.06595	3.0
81.07068	54.4
83.04993	3.2
83.08613	7.1
85.02875	1.6
85.06544	13.6
85.10186	5.0
87.04471	2.1
89.06039	7.7
91.05489	31.1
93.06488	3.2
93.07051	43.1
95.04372	3.7
95.04975	52.7
95.08615	36.5
97.06540	4.6
97.10158	3.7
98.13734	1.8
99.11766	1.7
105.07047	21.4
107.04967	9.3
107.08609	26.2
109.06531	58.4
109.10140	10.6
111.08097	5.4
113.06022	27.1
115.05461	1.8
117.07007	13.2
119.06030	1.6
119.08595	15.6
121.06511	7.6
121.10144	12.2
123.08073	4.0
123.11739	2.7
128.06218	3.6
129.07027	5.3
131.08588	21.8
133.06470	3.7
133.08615	4.0
133.10164	8.6
135.08064	39.8
135.09021	3.3
135.11731	10.9
136.42101	2.2
137.05997	3.1
141.07011	2.7
143.08557	7.5
145.10135	14.3
146.08141	3.3
147.08051	6.4
147.11678	5.8
149.09613	5.6
149.13277	3.7
157.10164	6.7
159.08095	4.0
159.11754	7.9
161.09657	6.2
161.13264	2.4
163.11192	3.5
165.09137	1.7
169.10115	1.8
171.11815	2.3
173.09633	2.2
173.13245	5.3
175.11145	3.8
177.12718	4.6
183.11661	2.0
184.07283	2.5
185.13284	2.4
187.11124	1.9
199.11372	1.8
199.14832	2.0
217.15852	8.8
255.17430	2.3
273.18521	36.3
291.19571	100.0
335.25845	91.2
336.26257	2.6
347.22202	11.0
365.23245	21.1
427.49106	1.7
567.40839	3.8
607.43774	17.3
625.44659	78.7
626.45050	5.0
679.85669	2.0
699.18176	1.8
805.41394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.3
57.07062	3.9
65.03939	2.3
67.05178	1.2
67.05509	17.8
67.16915	0.8
68.58634	0.8
68.99786	1.4
69.03417	3.2
69.07069	19.4
70.49383	2.0
70.49725	0.8
71.01357	15.9
71.08627	1.5
74.88893	0.7
77.03934	1.6
79.05496	11.7
81.03418	0.9
81.07062	44.7
83.01329	0.8
83.04982	1.2
83.08228	1.0
83.08630	11.2
91.05476	13.5
93.06484	1.5
93.07050	26.0
95.04956	2.7
95.08611	68.7
96.08935	1.1
97.02893	15.8
97.10159	6.5
98.03641	0.8
99.04474	1.0
100.72012	0.9
103.05455	3.3
105.03409	1.2
105.07038	35.3
107.04953	2.4
107.08596	50.7
109.02850	3.0
109.10162	59.5
111.11723	2.4
115.03941	1.8
115.05487	1.5
115.81833	0.8
117.07004	4.4
119.08588	44.5
121.06494	0.9
121.10149	50.5
123.04435	21.2
123.08069	0.9
123.11720	28.0
127.03925	24.8
128.06235	1.0
129.07036	1.9
131.04886	4.2
131.08597	4.6
133.06487	10.3
133.10135	31.4
135.04375	1.5
135.11693	29.6
137.13264	7.6
143.08568	2.0
145.10133	10.1
145.47888	0.8
147.04399	3.3
147.11697	30.0
148.05183	1.6
149.02333	6.9
149.05972	3.7
149.13268	24.6
157.06526	1.0
157.10089	2.4
158.10840	1.0
159.04405	3.6
159.08041	1.0
159.11723	11.9
161.05966	3.9
161.09692	1.0
161.13264	34.9
163.03835	1.7
163.14824	15.0
165.12791	1.5
171.11742	1.6
173.05983	3.0
173.13284	8.3
174.14090	1.1
175.03848	3.9
175.14835	19.9
176.04727	1.4
177.05478	97.1
177.16396	19.6
179.17905	1.9
185.13196	2.3
187.03874	2.0
187.07666	1.0
187.14781	9.0
189.16394	31.0
190.16747	0.9
191.03401	2.5
191.07039	9.7
191.17955	100.0
192.04114	3.0
192.18369	1.3
193.04958	2.1
193.19591	1.0
199.14897	1.9
201.05507	6.2
201.16388	17.2
203.03351	3.2
203.07132	5.1
203.17972	38.9
205.04939	1.8
205.16042	0.9
205.19540	10.7
213.05363	1.5
213.16400	2.6
215.17963	13.0
217.04951	3.8
217.08549	1.3
217.19527	94.4
218.19810	1.5
219.06534	11.1
219.21123	2.5
221.04482	1.5
221.08099	3.5
221.18936	2.2
227.17892	3.9
229.04973	19.6
229.07082	1.7
229.19545	14.9
231.06438	3.3
231.21077	7.5
233.19028	1.6
235.06044	1.4
235.20586	8.2
241.19485	1.5
243.21040	5.0
245.04474	1.8
245.08070	3.6
245.19023	2.1
245.22652	5.7
247.06033	73.7
248.06401	1.4
255.06561	1.3
255.21118	3.3
257.04373	1.7
257.22653	2.7
261.07526	1.4
263.05582	1.2
265.07071	6.3
269.22632	2.8
271.06055	1.6
271.24133	3.1
273.07599	5.1
275.05551	4.7
281.06506	1.0
283.24014	1.3
289.07077	2.9
291.08490	2.1
293.06531	2.5
297.25812	1.2
299.05566	5.8
309.26077	1.0
317.06573	44.7
327.05127	2.0
335.07632	31.1
341.37384	1.1
345.06024	6.4
353.31976	4.0
363.07111	28.4
381.08130	8.6
407.36725	56.0
408.37094	1.3
425.37698	9.0
451.97937	1.0
597.26849	1.1
805.44409	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	804.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.7
57.07069	4.9
59.05005	20.0
61.02912	1.4
61.74243	1.1
67.05508	16.3
68.58854	1.0
68.99804	1.2
69.03433	12.9
69.07072	58.3
70.70728	2.1
71.01365	1.1
71.05003	8.9
71.08614	2.5
73.02913	3.0
73.06565	2.0
79.05496	15.8
81.03416	16.4
81.07064	21.0
83.04993	6.9
83.08627	15.1
85.02911	22.7
85.06545	3.1
87.00820	11.6
87.04475	3.4
87.08120	2.3
89.06039	35.0
91.03965	1.8
91.05482	4.9
93.07054	30.5
95.04973	5.0
95.08611	24.7
97.02911	12.0
97.06539	29.1
97.10170	1.4
99.04468	5.7
99.08096	1.5
101.06030	4.0
101.09662	2.6
103.07578	1.4
105.01873	4.6
105.07013	2.5
107.08601	27.2
109.02892	15.2
109.06513	1.5
109.10175	12.9
109.10858	1.8
111.08099	8.6
111.10513	1.5
111.11736	7.5
115.07566	3.3
116.07122	1.3
117.01827	1.9
117.09169	7.5
119.08612	1.9
121.06506	3.0
121.10158	3.7
125.06018	1.8
125.13298	2.3
127.03929	15.6
129.01888	2.3
131.07039	1.4
133.08621	14.6
133.10114	2.6
135.11703	60.8
139.11111	3.1
145.04959	4.4
147.10150	2.7
149.05939	3.6
149.13252	3.5
149.69020	1.3
153.12759	91.5
157.12187	2.6
159.02901	5.1
167.07013	2.1
167.14388	2.6
171.03046	1.3
171.13814	100.0
172.14262	1.3
175.09697	1.1
177.11243	13.3
189.03938	1.5
195.12306	13.7
197.15376	10.0
211.16927	5.9
212.16386	2.0
213.03976	2.8
215.16428	3.5
227.16452	2.3
229.17995	52.4
231.04990	2.4
235.15417	7.7
243.19501	1.6
247.19069	3.5
253.16519	11.2
259.19083	1.5
287.22174	30.6
293.19604	5.1
299.31229	1.3
301.06937	1.5
305.23392	1.5
311.20782	7.4
345.26266	1.9
347.24356	2.6
351.23959	2.3
405.28125	1.2
539.38159	11.8
656.62958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30503	0.8
57.03439	2.2
57.07080	100.0
59.05005	31.3
67.05517	4.5
68.45358	0.8
69.07056	2.6
69.13592	1.9
69.13988	8.9
71.04987	0.7
71.08636	72.4
73.06569	1.3
74.58829	0.7
79.05479	2.4
81.03361	1.2
81.07055	3.5
83.08604	2.5
85.02919	0.8
85.06565	1.0
85.10188	59.3
86.09724	1.4
87.04478	8.4
89.06037	42.7
91.05470	2.5
93.07053	4.1
95.04955	3.1
95.08612	2.1
97.10157	3.0
99.11747	10.6
101.09647	2.5
103.07620	1.1
105.07023	1.3
107.08585	1.1
109.06522	2.9
111.53370	1.0
113.06014	1.9
113.13278	3.7
117.09138	12.7
119.08569	1.0
121.10139	1.1
124.99958	1.4
130.08669	1.8
130.60132	0.8
131.07018	3.3
131.08536	1.7
133.08611	36.7
135.08032	2.2
145.10101	1.1
145.38290	0.9
146.08138	2.2
153.63388	0.8
155.17960	8.8
175.09688	3.1
177.11227	16.5
184.07315	6.9
213.20262	1.4
213.22137	16.7
221.13797	2.8
254.24654	1.4
265.16510	1.6
271.26288	19.6
273.18484	2.1
283.17450	1.2
291.19534	4.3
335.25772	2.2
415.25446	1.8
459.28058	8.9
537.00531	1.0
625.44196	3.4
804.60858	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	802.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.3
57.07061	2.8
61.02933	2.6
65.03928	2.4
67.05509	43.7
69.03427	1.7
69.07079	11.3
69.20377	4.4
69.20798	4.6
69.49479	0.9
70.06576	1.3
71.04998	2.9
71.35804	0.9
73.02898	1.0
79.05498	29.2
81.03422	59.3
81.07064	40.9
83.04974	4.8
83.08627	16.9
85.02894	4.3
85.10172	1.1
89.06013	2.0
91.03944	1.7
91.05485	24.5
93.06483	1.9
93.07050	30.6
95.04964	16.8
95.08613	29.4
97.02885	3.8
97.06530	2.4
97.10162	4.0
99.11423	1.1
105.07033	21.9
107.04943	4.2
107.08596	19.8
109.06523	2.5
109.10152	13.3
111.04444	1.4
111.08060	6.1
112.00860	1.0
115.05447	1.4
117.07025	5.2
119.04948	0.9
119.08595	17.1
121.06522	2.7
121.10155	18.3
123.08073	2.3
123.11719	5.1
125.09626	3.4
127.03863	1.3
129.07053	6.3
131.08562	14.0
133.06488	1.6
133.10132	8.9
135.11702	10.0
137.09521	1.2
137.13252	1.0
142.07707	1.9
143.08559	1.3
145.10117	7.4
147.08047	2.9
147.11699	12.2
149.09637	3.4
149.13283	6.2
151.11143	0.9
157.10112	7.8
159.11728	5.5
161.13280	4.4
163.11197	1.4
163.14839	2.8
165.12752	2.1
169.10146	1.2
173.13289	4.5
173.49576	1.0
175.11241	7.6
175.14886	2.3
187.14853	2.5
189.11269	4.0
193.12241	19.3
211.13234	2.3
225.14726	1.1
227.12816	4.6
243.15875	1.1
243.21159	5.3
249.14877	1.8
251.27373	1.0
251.96623	1.0
261.22122	24.6
265.14337	1.6
267.15927	100.0
268.16202	1.5
285.16861	1.2
301.25272	4.5
309.17184	2.0
317.24731	3.7
335.25830	99.9
336.26218	2.5
337.27902	1.2
411.72482	1.1
421.25916	2.8
435.27240	2.2
435.32599	4.4
453.33545	7.0
460.59003	1.2
461.28793	2.0
471.34668	4.0
527.37372	70.7
528.37921	2.7
545.38434	53.0
546.38281	1.8
559.39801	2.0
569.38092	2.9
590.44403	2.9
635.38849	1.3
644.40649	1.1
752.48584	1.4
770.49908	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	799.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
61.02937	5.9
67.05523	6.9
69.03439	2.7
69.07091	1.6
69.25799	9.3
71.04978	1.1
73.02905	5.2
79.05509	2.3
81.03440	2.5
81.07070	7.0
85.02908	7.0
85.44449	1.0
91.03976	3.7
91.05521	2.0
93.07074	2.6
95.08630	5.8
97.02917	4.7
101.96452	0.9
105.07055	1.5
107.08625	2.0
109.10192	2.9
115.10989	0.9
118.97076	0.9
119.08609	2.0
121.10235	1.6
127.03963	1.5
129.35251	1.0
132.05728	1.0
135.11670	1.1
145.10205	1.2
243.08611	2.9
335.26077	1.2
381.83475	1.3
477.25027	1.0
519.29309	5.8
521.31152	3.7
787.76898	1.3
799.53363	100.0
800.53516	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	801.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
61.02927	0.5
63.02382	0.3
68.99798	0.4
69.03436	2.6
71.04982	0.6
71.52309	0.4
73.02934	0.3
78.04713	0.4
79.05512	0.3
81.03420	3.5
85.02913	5.5
87.04457	0.4
89.03917	4.5
89.06017	0.2
91.05505	1.1
93.06997	0.3
95.04986	0.3
97.02900	1.3
99.04464	0.6
105.07033	0.2
109.02885	1.6
109.06496	0.3
115.49896	0.2
117.03393	14.1
118.04202	0.5
119.04955	1.0
119.08510	0.2
121.02888	0.3
127.03944	1.7
133.06538	0.3
134.03627	1.4
135.04405	0.8
137.06007	0.4
140.01111	0.4
145.02858	38.4
146.03157	0.5
147.04428	1.1
149.05991	5.1
153.01889	0.4
158.06081	0.2
162.03116	0.4
163.03925	0.4
168.00555	2.8
169.01326	0.4
175.03932	1.0
177.05482	100.0
178.05841	0.8
184.05110	0.3
186.01617	1.6
186.05531	1.0
192.36050	0.2
195.06509	1.1
207.06519	2.0
212.04649	0.3
213.05473	0.2
229.04947	0.6
231.06700	0.2
238.66187	0.2
241.04970	1.2
245.08000	0.2
255.06517	0.6
257.04434	0.4
258.05276	1.6
268.03665	0.6
269.04480	2.9
271.05905	0.4
283.05948	0.4
285.03964	5.2
286.04739	61.0
287.05484	6.1
299.05591	0.7
301.07086	91.8
302.07364	1.8
315.08658	0.3
321.09753	5.6
339.10815	6.3
343.08032	0.9
361.09311	0.4
367.08127	0.3
406.47003	0.3
463.12408	3.5
484.21365	0.2
641.68524	0.2
699.76355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
57.07081	4.6
61.02932	19.6
61.86905	0.5
65.03931	0.8
67.05513	13.8
67.54118	0.5
69.03432	2.9
69.07071	12.5
70.24290	1.9
71.01344	0.6
71.04999	0.7
71.08627	1.1
72.37592	0.5
73.02919	8.9
79.05493	6.2
81.03403	1.5
81.07063	35.4
83.04980	0.7
83.08625	7.1
85.02912	34.5
85.06545	0.8
87.04471	0.7
90.22755	0.5
91.03962	25.5
91.05481	4.6
93.07050	17.7
95.01334	13.2
95.04941	1.1
95.08613	63.1
97.02896	21.0
97.06533	1.2
97.10174	4.5
99.00824	1.0
99.04457	1.7
99.08092	0.8
101.02370	1.0
103.03935	4.0
105.07035	10.9
107.08602	29.4
109.02888	1.3
109.06532	0.7
109.10161	38.0
111.08110	0.6
111.11726	1.8
113.02358	2.7
115.03924	2.3
117.07037	1.6
118.47636	0.5
119.08591	16.6
121.10148	29.6
123.08024	0.8
123.11715	18.7
125.09657	1.3
125.13270	0.5
127.03928	20.8
129.07047	0.9
131.03444	1.2
131.08569	7.0
133.09114	0.9
133.10139	15.3
135.11697	22.0
137.09631	0.6
137.13263	21.3
139.11185	1.5
141.01836	60.7
143.08563	1.6
145.04973	24.3
145.10146	6.9
147.11694	12.0
149.09509	0.7
149.13266	22.2
151.14853	1.5
158.10855	0.7
159.01550	0.8
159.02901	20.3
159.11707	8.7
161.13260	14.0
163.06026	72.5
163.11177	1.1
163.14835	11.0
165.12744	1.1
171.11630	1.3
173.13293	7.0
175.14833	12.6
177.03987	6.1
177.12822	0.9
177.16400	21.3
179.17953	2.4
185.13237	1.0
187.14848	6.0
189.16388	11.3
191.14355	0.8
191.17961	15.8
193.15840	1.1
193.19479	0.6
199.14783	1.0
201.16409	7.5
203.17978	15.5
203.19777	1.1
204.08659	1.0
205.15811	1.8
205.19534	21.3
207.17409	2.9
213.16360	0.9
215.17981	12.8
217.19511	12.3
218.06654	0.6
219.17476	4.4
219.21010	4.1
221.18990	3.6
227.17943	1.5
229.19518	11.8
231.21033	3.8
233.19020	10.7
235.20493	1.3
241.19450	2.7
243.21144	2.0
245.22592	2.8
247.20609	5.9
255.21104	2.6
257.22617	5.1
259.20667	1.0
261.22241	0.9
269.22742	3.2
271.24234	2.0
273.22183	1.8
275.23724	5.1
283.24268	1.4
285.06128	1.8
287.23648	1.9
297.25931	1.2
301.25388	2.2
303.06998	1.3
313.28992	1.5
321.08130	4.7
339.09308	5.9
353.32111	2.0
367.33237	0.7
407.36752	28.1
408.37210	1.0
425.37790	100.0
426.38196	1.8
798.42609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
61.02929	6.6
65.03944	0.3
67.05510	6.1
69.03435	4.2
69.07079	1.5
71.01361	0.4
71.04994	0.9
71.43414	0.4
71.63433	0.3
73.02921	4.7
79.05502	4.9
81.03427	1.7
81.07062	6.1
83.08613	0.8
85.02908	6.5
87.04495	0.7
91.03960	4.4
91.05486	2.7
93.07050	4.8
95.05000	0.3
95.08614	4.7
97.02897	5.4
99.04469	1.2
101.02393	2.2
103.03928	0.4
105.07024	1.6
107.08591	2.7
109.02892	1.0
109.10162	1.9
109.75758	0.2
111.08128	0.2
117.07025	0.7
118.18585	0.2
119.08606	0.8
121.10143	2.0
123.11733	0.4
127.03915	1.5
131.08586	1.2
133.10187	1.0
135.11673	1.4
145.04948	0.4
145.10161	0.7
147.11774	0.4
149.13306	0.4
159.11732	0.4
161.13272	0.5
168.84076	0.3
173.13232	0.3
185.04384	0.5
187.14903	0.3
203.05331	0.7
243.08427	2.2
261.22327	0.3
335.25861	0.9
481.27530	0.3
519.29333	11.5
520.29517	0.4
527.61786	0.3
595.02820	0.3
647.66040	0.3
797.51764	100.0
798.52191	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05514	14.6
57.03193	0.6
57.03442	9.0
57.07074	1.6
60.57718	0.5
61.02926	2.6
65.03931	2.1
67.05508	59.4
69.03419	0.7
69.07072	12.9
71.04989	2.2
71.08624	1.0
71.37598	0.6
71.37933	0.6
73.02927	1.0
73.18089	0.5
79.05497	34.0
81.07060	58.2
83.04993	2.1
83.08621	6.6
85.02895	2.4
85.06544	2.2
91.03956	1.0
91.05484	22.0
93.07048	41.3
95.04982	2.9
95.08611	44.0
97.02897	1.3
97.06532	2.9
97.10176	3.1
99.08089	1.1
100.73261	0.6
103.05519	0.6
105.04530	1.3
105.06331	0.7
105.07039	17.1
107.08602	22.9
109.06560	1.1
109.10162	20.9
111.08071	1.5
113.09634	0.7
113.49681	0.5
117.07011	6.6
119.08591	13.6
121.10152	20.6
123.08106	1.1
123.11723	8.0
125.09648	0.9
129.06976	1.0
131.08568	11.3
132.03883	0.5
133.10146	11.4
135.11705	13.0
137.09590	1.3
137.13283	3.0
139.11183	0.7
143.08569	1.5
145.10130	7.5
147.11697	8.5
149.13271	8.3
151.11240	0.9
151.14796	1.0
157.10167	1.7
159.11700	9.2
161.13266	7.0
163.11226	0.8
163.14835	4.4
165.12813	0.6
169.10120	0.8
171.11716	1.7
173.13271	7.2
175.14838	3.5
177.16393	1.1
185.13269	1.7
187.14790	3.2
189.16422	1.1
199.14832	1.2
201.16362	1.2
203.17984	1.0
213.16449	0.8
215.17993	0.9
217.19617	0.9
219.17444	0.7
227.06616	0.6
231.21103	1.2
233.22589	0.8
241.19592	3.6
243.21104	6.1
245.18846	0.6
245.22789	0.7
257.18997	0.7
259.20596	7.0
260.74136	0.5
261.22147	19.4
263.23746	2.2
277.21710	0.8
279.23227	0.9
299.23566	0.8
315.23212	0.7
315.26999	0.8
317.24750	3.7
333.24176	6.4
335.25812	100.0
336.26309	1.1
337.27356	8.8
489.34491	0.6
517.39343	0.6
521.43469	1.6
539.44385	1.0
543.40344	0.8
557.17078	0.7
595.47260	15.2
596.47473	0.7
613.39014	1.0
613.48260	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	792.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
57.07081	31.4
59.05009	14.6
61.98651	1.0
67.05502	3.7
69.03425	1.6
69.07056	2.9
70.06580	1.6
70.25418	1.1
71.04977	1.2
71.08639	61.0
73.02906	3.2
73.06570	5.8
79.05473	3.0
81.07053	3.7
83.08619	2.4
85.10187	33.0
87.04476	16.8
89.06039	100.0
93.07030	3.2
95.04980	1.0
95.08607	3.6
97.10152	1.4
99.73268	1.0
103.07584	6.3
105.07031	1.3
107.07081	2.5
113.06045	1.7
117.09133	4.8
121.10119	1.4
127.14837	4.4
130.08617	2.9
131.07065	7.5
133.08614	69.7
145.10150	1.3
152.61116	1.1
171.00072	1.0
174.92131	1.0
175.09650	5.5
177.11238	33.6
185.19043	4.9
205.04759	1.0
219.12317	2.4
221.13876	6.1
229.21678	5.0
230.30826	1.0
230.33504	1.3
239.14928	1.3
254.17400	1.9
265.16418	1.2
283.17566	2.0
309.19162	2.3
327.20218	1.3
335.25681	1.9
345.71573	1.0
353.21655	1.1
364.98672	1.3
377.34485	1.1
591.35950	6.4
792.45947	6.3
792.58466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	16.2
57.07070	8.2
61.02918	2.8
65.03935	3.2
67.05507	100.0
68.05819	2.1
69.03419	2.2
69.07070	34.3
69.27402	12.1
71.04981	2.0
71.08629	2.6
76.12217	1.4
79.05494	46.9
81.03416	2.7
81.07058	94.8
83.04990	1.6
83.08622	19.1
85.02901	4.2
85.06537	2.7
87.04470	4.2
91.03995	2.1
91.05484	29.8
93.07047	57.0
95.04955	3.6
95.08608	83.9
97.02885	3.0
97.06531	5.4
97.10178	9.7
98.21488	2.0
99.08096	2.0
105.07037	23.1
107.08595	32.6
109.06509	2.3
109.10161	36.5
111.08077	2.9
111.11738	1.7
113.09577	2.0
117.07034	8.3
119.08582	19.4
121.10146	26.2
123.11707	14.6
125.13245	1.9
131.08557	12.8
133.10129	18.0
135.11688	17.7
137.13240	4.7
145.10118	10.4
147.11696	11.5
149.13261	12.7
151.14789	2.5
159.11668	8.1
161.13258	7.8
163.14792	7.8
171.11742	2.4
173.13269	7.9
175.14825	4.8
177.16463	2.6
185.13091	1.7
187.14856	3.6
189.16425	2.0
201.16425	1.8
210.72656	1.4
213.16338	1.4
241.19579	2.5
243.21106	8.2
245.22620	2.4
259.20627	6.6
261.22128	24.2
263.23654	4.9
273.22131	1.4
301.25369	1.8
309.72516	1.6
317.24783	5.0
333.24329	3.2
335.25818	92.7
336.26071	3.2
337.27365	99.1
339.29019	6.5
485.67700	1.8
523.45160	2.4
541.46454	2.3
597.48755	36.3
598.49127	1.7
615.49890	29.9
616.49664	1.6
695.04364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.1
57.07061	2.9
59.05000	0.7
61.02932	24.7
63.53931	0.8
65.03929	0.9
65.80937	0.8
66.39484	0.7
67.05508	13.1
68.99791	1.1
69.03429	5.0
69.07074	9.4
71.01344	1.7
71.04998	2.1
71.25433	1.0
73.02917	12.9
77.03903	1.2
79.05501	9.3
81.03410	2.7
81.06591	1.7
81.07058	30.9
82.08376	0.8
83.04996	1.0
83.08610	4.8
84.08141	0.9
85.02912	49.3
85.06524	1.0
85.56364	0.8
91.03963	34.7
91.05482	10.0
93.07047	23.0
95.01334	21.6
95.04967	2.0
95.08612	49.8
97.02898	31.0
97.06532	7.4
97.10162	3.1
99.00821	2.2
99.04449	1.9
99.08098	1.0
101.02402	1.8
101.09691	0.8
103.03975	4.0
105.07037	31.7
107.04993	0.9
107.08604	38.7
109.02850	2.6
109.06505	1.1
109.10164	37.6
111.08073	4.5
111.11736	1.0
113.02345	2.8
113.09667	0.7
114.73481	0.8
115.03932	2.7
117.07005	3.6
119.08589	37.2
121.02887	0.7
121.10148	29.6
123.00803	1.0
123.08051	0.9
123.11710	13.0
125.09616	2.6
127.03925	22.0
129.07002	0.9
131.03412	1.4
131.08595	12.0
133.10135	28.7
135.11697	21.8
137.05943	0.8
137.09578	1.8
137.13254	7.3
141.01836	81.9
143.08543	2.9
144.09341	2.7
145.04971	25.1
145.10130	24.2
146.10927	0.9
147.04417	1.2
147.11696	23.5
149.13266	13.9
151.11145	2.9
151.14780	1.7
153.05461	1.6
157.10146	5.1
159.02904	15.0
159.11700	33.9
160.12433	1.2
161.06061	1.0
161.13268	19.1
163.06027	64.9
163.11169	1.4
163.14848	8.6
164.06306	0.8
165.12703	1.0
165.16393	0.8
167.07062	0.7
169.10197	1.0
171.11681	5.1
173.13263	19.6
175.14835	23.0
177.03946	3.7
177.05472	2.0
177.12756	0.8
177.16389	9.9
179.14337	2.5
183.11731	1.5
183.21487	0.8
185.13350	3.9
186.13998	0.9
187.14845	13.7
189.16405	26.7
191.14293	3.1
191.17953	26.6
193.15903	10.9
199.14825	5.1
201.16391	15.8
203.14444	0.9
203.17972	20.5
204.08537	0.8
205.15898	30.7
205.19463	7.4
207.17462	12.3
211.14847	1.0
213.16365	3.6
215.17958	31.3
216.18376	1.0
217.15952	7.9
217.19470	6.4
219.17458	5.1
219.21011	1.4
221.19041	5.1
225.16444	1.1
226.17366	0.9
227.17886	3.5
229.19559	7.2
231.17531	4.0
231.21083	4.4
233.19014	49.0
234.19351	1.1
241.19492	1.7
243.17474	1.5
243.21104	5.4
245.18982	1.7
247.20595	1.8
255.21101	2.8
257.22574	1.2
259.20743	0.9
261.22189	1.2
267.21292	1.2
269.22604	3.4
271.20718	0.9
273.22073	2.4
273.50970	0.8
281.22586	1.2
283.24191	1.2
285.05997	1.2
285.22089	1.4
287.23761	1.4
297.25687	1.3
299.09326	1.2
299.23734	1.0
301.06976	2.4
315.26971	1.2
321.08133	3.3
331.08209	2.1
331.29773	0.9
339.09213	2.8
405.35168	14.0
423.36227	100.0
424.36685	4.1
425.37811	0.9
441.37299	18.9
442.38052	0.9
532.42090	0.8
581.38568	1.0
599.39227	3.1
666.97766	1.0
797.40552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05505	2.3
57.03428	2.2
57.07080	100.0
59.04714	2.3
59.05005	41.4
67.05495	4.0
69.07058	3.7
71.08636	92.7
71.52257	2.0
72.08935	1.1
73.06557	1.8
74.10749	1.0
76.95435	0.9
78.22868	0.9
79.05497	2.3
80.45319	0.9
81.03420	1.9
81.07051	3.3
83.08658	4.8
85.10189	86.3
87.04486	10.3
89.06037	60.8
91.05462	1.2
93.07042	3.2
95.08597	3.1
97.10172	2.3
99.11734	11.9
101.09664	2.4
105.07034	3.1
107.08640	1.2
109.10168	2.4
116.07095	1.4
117.09140	17.9
119.08557	1.0
130.08643	4.1
131.07028	3.6
131.08553	1.3
133.08615	47.7
133.10120	2.2
141.16380	11.6
147.10162	1.2
161.49402	1.0
175.09673	3.1
177.11235	20.8
184.07358	2.4
184.83440	0.9
199.20584	27.1
219.12227	1.6
221.13927	5.1
240.23232	1.6
257.24747	30.3
265.16531	1.5
275.20032	1.4
283.17578	1.4
327.20029	1.3
335.25836	2.1
344.08801	1.0
371.22452	1.0
408.58038	1.0
428.14932	1.2
441.27417	1.1
459.28067	10.7
499.30667	1.5
517.31836	1.4
610.45294	1.6
790.59052	7.7
791.45068	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	790.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05525	2.7
57.03425	1.1
57.07079	100.0
59.04720	1.0
59.05005	20.7
61.02903	0.6
63.71564	0.6
67.05492	3.0
69.03430	0.8
69.07057	2.4
69.15345	5.1
69.15761	1.3
71.04980	0.6
71.08635	66.0
73.02901	1.3
73.06549	2.5
74.11451	0.5
76.71883	0.6
79.05478	2.4
81.03432	0.8
81.07068	3.3
83.08607	2.4
85.02895	0.7
85.10186	56.2
87.04478	11.8
89.06036	65.6
91.05460	1.4
93.07012	1.3
94.68859	0.6
95.04966	1.1
95.08588	2.3
97.10176	2.7
98.21465	1.3
99.11741	10.7
101.06014	0.8
101.09661	1.8
103.07550	0.7
105.07005	1.4
107.07096	0.8
107.08571	1.1
109.10162	1.3
111.11764	0.7
113.13277	4.7
117.09114	5.7
119.08592	0.6
121.10102	1.0
129.09076	0.6
130.08640	2.4
131.07050	4.9
131.08546	0.7
132.85222	0.6
133.08609	53.9
135.10115	0.8
145.10115	1.1
147.10234	0.7
155.17955	8.1
161.11812	1.0
175.09686	4.8
177.11234	24.0
184.07327	0.9
191.12729	0.9
213.22130	16.8
219.12263	1.4
221.13800	4.3
239.14806	0.8
254.24731	1.3
265.16476	1.4
267.15909	0.7
271.26355	7.0
275.20038	0.8
283.17566	1.9
309.19116	1.7
327.20139	0.9
335.25659	1.2
336.26257	1.1
349.23962	1.0
353.21716	1.5
371.22913	0.9
378.85007	0.6
391.43466	0.6
415.25305	1.3
459.27802	1.1
485.29675	0.7
503.30655	10.4
543.33673	1.4
617.03052	0.6
713.98865	0.6
790.44440	2.6
790.58441	6.3
791.44879	2.5
791.58649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05038	0.7
57.07101	0.4
58.06629	0.7
60.08171	6.8
60.08983	0.3
67.05507	1.4
69.07076	1.5
70.06539	0.2
71.07377	3.1
71.52821	0.4
77.13206	0.2
79.05500	1.4
81.07057	3.1
82.06583	2.2
86.09711	31.2
86.64156	0.2
88.69241	0.2
91.05495	1.1
93.07063	2.7
95.04939	0.3
95.08611	2.4
97.06524	0.3
97.10198	0.3
98.98480	3.4
100.07627	4.5
104.10746	2.9
105.07039	1.7
107.08582	1.8
109.10166	1.4
117.07032	0.4
119.08582	1.1
121.10152	1.4
123.11728	0.5
125.00014	20.7
128.07082	1.1
131.08582	0.8
133.10144	0.9
135.11682	0.7
137.70471	0.2
144.06575	0.5
145.10100	0.5
146.08136	12.0
147.11665	0.7
149.13264	0.3
155.31744	0.2
159.11682	0.6
160.88078	0.2
161.13290	0.6
163.14836	0.5
184.07352	100.0
185.07690	0.3
185.27811	0.3
215.17809	0.3
331.39365	0.3
335.25726	0.4
336.25955	0.3
338.57791	0.3
356.10519	0.3
463.45456	0.3
610.44916	0.7
617.65601	0.2
626.36865	0.2
652.07416	0.3
690.46771	1.7
754.60437	0.7
772.54401	1.4
790.55731	4.4
791.54749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
55.05517	33.8
57.03444	18.7
57.07078	18.6
59.05007	37.6
61.02923	2.4
65.03944	3.4
67.05511	100.0
68.05858	1.2
69.03432	4.4
69.07071	18.0
69.50510	2.1
69.50916	5.3
71.05006	11.2
71.08640	14.5
73.02924	9.0
79.05499	42.4
81.03429	10.4
81.07063	63.9
82.07359	1.2
83.04978	5.4
83.08632	14.7
83.93990	1.5
85.02905	7.8
85.06557	3.4
85.10188	14.6
86.09726	1.4
87.04478	55.1
89.06044	14.7
90.30779	1.1
91.05489	25.4
93.03392	1.2
93.07051	41.4
94.07369	1.6
95.04992	6.5
95.08616	37.0
97.02892	3.6
97.06547	4.0
97.10174	17.0
99.04478	15.5
99.11750	2.4
103.03944	10.3
103.05439	1.3
103.07575	1.3
105.07056	15.8
107.04957	2.1
107.08603	24.7
109.02876	1.5
109.06528	4.1
109.10165	56.9
110.10460	1.5
111.04436	3.0
111.08080	3.4
115.03952	1.3
117.05550	1.4
117.07024	5.0
117.09127	2.3
119.08588	16.5
121.06522	1.4
121.10159	18.5
123.08060	3.2
123.11713	5.2
125.09637	12.8
127.03938	1.3
127.07441	1.2
129.05440	1.4
129.07019	3.2
130.66811	1.2
131.07149	1.8
131.08568	9.4
133.08604	11.1
133.10112	8.1
135.11705	12.2
137.09634	2.8
143.08542	2.0
143.10629	1.7
145.10127	8.9
147.06541	1.3
147.11714	7.8
149.09639	1.9
149.13310	5.8
155.10687	3.8
157.10194	2.5
159.11668	5.5
161.13264	3.2
163.11195	3.7
169.10117	1.3
171.11708	1.5
173.11755	16.6
173.13281	3.4
175.09679	1.8
175.14864	2.6
177.11240	3.6
184.07349	3.9
187.14908	2.1
189.11227	1.6
191.10744	2.1
191.14380	1.1
193.12242	2.6
199.13268	8.2
205.10722	1.4
209.11650	2.5
217.14325	1.4
223.13403	1.3
227.12776	5.0
229.14380	39.2
235.11751	2.2
241.14354	3.8
243.21057	3.3
257.13760	3.1
259.20743	1.9
261.22180	9.6
267.15924	6.8
308.05237	1.5
315.18027	6.9
317.24710	1.9
327.23026	1.3
333.24313	1.4
335.25830	54.6
336.26141	2.4
363.25305	5.2
438.39618	1.4
459.34821	1.7
477.35861	14.9
477.94104	1.3
489.35815	50.7
517.35602	1.5
525.35907	1.8
543.36823	4.6
575.39612	2.4
593.40222	2.3
790.55249	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
55.05519	26.5
55.59774	1.9
57.03434	11.7
61.02920	2.1
63.80791	2.0
64.58277	2.0
67.05511	50.4
68.16768	2.3
69.03419	4.8
69.07067	17.3
70.81954	4.2
71.04993	8.5
79.05498	46.5
79.05921	4.5
81.03426	47.1
81.07059	42.3
83.04990	7.5
83.08635	17.5
85.02903	3.9
85.06552	3.3
91.05492	55.1
93.07050	48.6
95.04967	21.3
95.08617	32.2
97.02921	2.6
97.06541	7.8
97.10170	14.6
99.08095	3.9
103.05525	2.6
105.07041	47.1
107.04965	7.5
107.08601	27.6
109.06516	7.7
109.10179	14.1
111.08104	7.5
115.05458	2.6
117.07037	18.5
119.08593	41.9
121.06505	3.7
121.10169	22.8
123.08052	4.6
123.11723	3.7
125.09645	10.9
128.06253	2.3
129.07027	14.3
131.08578	23.8
133.06490	4.2
133.10136	28.7
135.08044	5.3
135.11700	10.7
137.09651	4.5
141.06976	3.4
142.07730	3.3
143.08562	16.0
143.97539	2.3
145.06506	2.6
145.10156	23.9
147.08034	4.2
147.11690	21.9
149.09622	6.7
149.13287	3.1
155.08563	4.5
157.10129	17.1
159.08012	2.8
159.11691	16.0
161.09549	3.5
161.13271	8.4
163.11179	5.5
169.10156	8.3
171.11690	12.0
173.13295	9.6
175.11224	5.5
175.14868	3.4
177.12743	3.1
181.10176	3.9
182.65489	2.3
183.11708	7.4
185.13284	8.8
187.14900	3.3
189.11250	3.1
193.10176	3.0
193.12216	6.6
195.11703	5.1
197.13274	4.3
199.14867	6.2
203.14420	3.4
209.13240	4.8
221.15427	2.4
223.15019	3.5
227.12776	9.3
229.14494	3.7
233.15271	2.9
241.19545	5.3
245.15538	2.4
247.16928	2.7
259.20535	17.3
267.15948	21.4
273.18674	2.5
275.20270	2.5
299.23721	6.6
333.24252	9.9
421.25818	8.7
433.31049	6.0
435.27478	6.2
451.32260	7.5
469.33023	6.9
481.88815	3.0
507.34512	5.3
525.35840	60.5
526.35657	3.0
527.29791	2.5
543.36890	100.0
557.38245	8.8
567.36731	2.7
575.39899	15.0
669.40533	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.8
55.05512	16.2
57.03436	11.4
57.07071	6.2
59.05004	23.3
61.02910	2.5
67.05508	21.4
68.99781	2.6
69.03436	14.2
69.07074	79.1
70.06599	2.4
71.04993	12.5
71.08617	2.3
71.40601	1.4
71.52441	1.5
73.02916	4.9
73.06565	3.0
79.05495	18.3
81.03427	22.0
81.07062	29.2
83.04984	8.9
83.08622	19.8
84.08115	1.4
85.02438	2.2
85.02916	28.3
85.06541	4.3
87.00829	13.7
87.04470	6.9
87.08088	2.6
89.05489	2.7
89.06037	53.1
91.03935	1.8
91.05479	8.8
93.07055	35.4
94.63775	1.3
95.04977	4.2
95.08614	32.1
97.02891	13.9
97.05920	2.4
97.06534	36.3
97.10142	2.4
99.04454	6.9
99.08082	2.1
101.06033	2.3
103.03951	3.5
103.07594	3.6
105.01889	6.6
105.07039	4.2
107.07076	1.8
107.07872	2.6
107.08597	39.8
107.09310	2.6
109.02897	19.4
109.06517	2.7
109.09482	1.4
109.10172	19.0
111.04455	1.3
111.08109	12.1
111.11732	10.7
112.07621	2.9
115.07558	3.3
116.07041	2.5
117.01862	2.4
117.09134	6.1
119.08563	4.2
121.10151	5.3
123.08054	2.3
125.05959	2.2
125.13254	2.5
127.03922	20.4
127.07538	1.3
129.01851	3.8
131.07051	1.6
131.08556	2.0
133.08617	46.8
133.10155	4.3
135.08102	1.4
135.11700	87.5
139.11227	6.0
140.07092	3.6
145.04965	4.9
145.10103	2.1
147.02943	1.7
147.04329	1.6
147.10048	1.8
147.11693	2.7
149.05960	2.4
149.13287	2.3
153.12761	99.3
157.12219	2.8
159.02936	6.4
166.08643	2.5
167.07004	1.7
171.02887	1.6
171.13812	100.0
172.14253	1.4
173.13287	1.3
175.09615	1.9
175.14806	1.4
177.05409	1.6
177.11223	14.2
191.12834	3.0
197.15390	41.8
201.14604	1.3
211.16980	6.0
212.16583	1.9
213.03955	1.5
213.14816	2.3
215.16441	11.5
221.13794	9.4
227.16367	1.4
229.18013	46.5
230.18254	1.7
231.04959	3.1
239.14902	27.7
247.19072	1.6
251.12122	1.5
255.19473	3.2
259.19080	2.2
273.20685	1.9
279.18201	7.8
286.04614	2.5
287.22214	14.0
297.19110	20.3
301.06976	4.3
302.03766	1.3
303.21643	1.8
311.16928	1.5
337.22101	4.5
347.24289	2.6
355.23477	3.1
391.26843	8.6
449.31064	3.4
507.35526	6.0
525.36365	22.5
578.33612	2.0
596.34454	2.1
619.85114	1.4
790.43488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.7
55.05518	37.4
55.78403	1.2
57.03445	22.7
57.07081	13.0
59.05008	42.9
61.02918	2.3
65.03931	4.3
66.48515	1.1
67.05512	100.0
69.03422	6.2
69.07079	16.2
69.17174	10.3
71.05000	14.8
71.08638	10.5
79.05505	46.6
79.05975	1.8
81.03427	6.6
81.07067	63.5
83.04980	5.6
83.08620	18.9
85.02917	6.9
85.06540	4.3
85.10196	7.0
86.09705	1.4
87.04479	55.5
89.06037	6.9
91.05490	27.1
93.07058	41.0
95.05021	5.7
95.08617	41.1
97.02892	4.6
97.06543	4.2
97.10184	20.9
99.04466	19.9
101.09695	1.5
101.71395	1.2
103.07595	1.6
105.07049	17.5
107.04958	3.7
107.08610	26.8
109.02917	1.2
109.06555	2.6
109.10170	54.7
111.04460	2.1
111.08080	3.8
116.07131	1.6
117.07026	7.4
119.08600	18.0
121.06486	1.3
121.10155	20.6
123.08115	2.0
123.11695	5.3
125.09641	17.0
129.07027	2.8
131.08575	10.0
133.08627	5.6
133.10167	12.0
135.11707	11.8
137.09645	3.4
143.08600	1.5
143.10703	2.3
145.10117	10.0
147.11725	8.3
149.09622	2.2
149.13266	6.2
155.10661	3.5
157.10178	2.4
159.11684	7.2
161.13287	5.4
163.11188	3.9
163.14828	1.6
171.11664	1.7
173.11755	17.1
173.13286	5.5
175.14766	2.6
177.11295	2.0
181.12236	1.6
184.07335	4.4
185.13316	1.9
185.18999	1.3
187.14874	2.8
191.10733	2.4
193.12315	2.4
197.13315	2.3
199.13280	11.9
199.14778	1.3
201.16400	1.8
209.11713	3.4
211.13194	1.7
217.14281	1.9
223.13474	1.8
227.12782	6.9
229.14384	47.0
241.14436	5.9
243.21065	4.1
243.23320	2.7
257.13931	2.3
259.15381	1.7
259.20596	3.3
261.22168	13.2
262.80136	1.2
267.15945	6.1
269.17191	1.3
283.15485	2.4
315.18091	10.9
315.21820	1.2
315.22964	1.3
317.24814	3.9
333.19049	2.1
335.25845	68.1
336.26392	1.8
338.04813	1.2
351.25546	1.4
363.25146	5.6
459.34305	2.6
477.35779	23.3
489.35834	53.0
490.35910	1.6
505.35568	1.6
517.35187	2.1
525.36029	2.1
543.36987	4.7
559.45941	1.3
561.37567	3.3
575.39642	6.6
593.40137	5.2
822.44366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.5
55.05516	13.6
56.74266	1.1
57.03443	11.0
57.07081	3.3
59.05000	2.8
59.69695	1.4
67.05507	39.7
69.03468	1.2
69.07072	16.1
71.04994	1.5
71.52618	1.8
79.05499	32.2
81.03403	2.1
81.07056	40.2
83.04975	3.2
83.08629	5.3
85.06539	2.3
86.09697	2.3
90.65766	1.4
91.05482	37.1
93.07053	34.0
95.01306	1.7
95.04980	3.3
95.08614	26.7
97.06528	11.7
97.10201	2.9
97.64676	1.2
100.07587	2.0
105.07033	35.9
107.04967	5.3
107.08586	17.4
109.06531	4.0
109.10165	9.6
111.08086	3.1
117.07024	9.0
119.08600	22.7
121.06516	2.3
121.10150	13.5
123.08037	3.6
123.11674	2.3
131.08565	14.7
133.10138	18.9
135.08095	2.2
135.11649	7.3
137.09657	1.6
143.08527	2.3
145.10114	10.2
146.08087	3.1
147.11673	7.4
149.09624	1.7
149.13225	3.1
157.82353	1.5
159.11664	8.5
161.13281	3.4
163.11319	1.8
169.10158	1.3
173.13281	2.7
179.14359	4.7
184.07362	6.0
185.13290	2.0
201.16409	2.6
219.17450	61.0
257.19089	4.1
275.20068	37.1
293.21005	2.5
335.25812	57.1
349.23749	19.5
436.53146	1.6
472.33670	1.4
609.45166	100.0
610.45367	5.1
611.37616	1.4
753.62427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05510	5.4
57.03459	0.6
57.07074	2.5
65.03955	0.5
67.05511	9.9
67.70830	0.4
68.99811	0.8
69.03427	1.0
69.06725	0.8
69.07072	9.5
69.07423	0.8
71.01359	100.0
71.08633	0.7
71.52068	0.6
79.05487	6.3
81.03426	0.6
81.07060	18.3
83.08624	5.3
85.02886	0.9
91.05482	6.8
91.06019	0.6
93.07050	13.9
93.07639	0.8
95.04985	1.0
95.08613	33.6
97.02911	4.6
97.06559	0.8
97.10180	3.3
98.03681	0.8
99.04458	0.5
103.05512	0.7
105.07037	15.7
106.10808	0.4
107.08607	25.8
108.08913	0.4
109.02915	1.3
109.06547	0.8
109.10165	26.6
111.11734	1.1
113.09641	0.5
115.03964	0.5
115.05475	0.6
117.07031	1.4
119.04967	0.6
119.08588	21.7
121.10152	24.0
123.08097	0.6
123.11717	15.8
125.09637	0.7
127.03926	2.8
129.07051	0.9
129.74924	0.6
131.04933	2.3
131.08565	3.0
133.06564	0.5
133.10143	16.9
135.11699	18.2
135.12726	1.0
137.13290	5.5
139.11143	0.6
141.06999	0.6
143.08571	1.3
145.10114	5.0
147.04462	1.4
147.11705	13.7
148.05177	2.1
149.13266	13.5
149.14377	0.8
151.14818	0.6
157.06551	0.8
157.10252	1.3
159.04422	9.7
159.11710	6.1
160.05254	0.5
160.12331	0.4
161.13274	16.2
161.14638	0.9
163.11205	0.7
163.14838	6.4
164.04742	1.8
165.12744	0.5
171.11787	0.9
173.05991	4.5
173.13287	3.9
175.03986	1.3
175.14825	8.7
177.16418	8.2
179.18007	0.6
183.94424	0.5
185.05984	0.9
185.13304	1.2
187.03847	0.6
187.14836	3.7
189.16393	11.7
191.03505	0.7
191.17957	48.6
199.14883	0.8
201.05511	0.6
201.16400	7.6
203.03470	2.9
203.07076	0.9
203.17973	26.4
205.15906	0.5
205.19531	5.3
211.04053	0.5
213.05605	0.8
213.16451	1.3
215.17961	7.4
217.04939	0.5
217.19528	38.8
219.17548	0.6
219.21123	2.2
221.04568	0.5
221.19041	2.6
227.07109	1.2
227.17984	1.3
229.05061	1.6
229.19530	6.9
231.02876	14.4
231.21126	3.7
233.19240	1.1
235.20595	6.4
237.03967	0.5
241.19664	1.0
243.21069	2.4
245.04465	6.7
245.19017	0.7
245.22639	9.9
245.24959	0.7
247.20670	0.9
249.03923	0.8
255.21239	1.5
257.04605	1.3
257.22641	4.1
269.22693	1.3
271.05899	1.1
271.24271	0.6
275.05505	8.2
283.24179	0.5
285.08884	0.4
297.25912	0.8
299.05530	3.7
301.07141	0.6
303.04932	0.9
313.28833	0.9
316.08151	0.5
317.06622	1.7
327.05069	6.1
345.06076	17.8
353.32086	3.5
363.07202	1.4
407.36725	19.5
408.36786	0.5
425.37817	6.9
486.69012	0.5
607.25073	0.5
787.44263	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	787.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.05514	6.2
57.07082	3.6
61.55769	0.4
63.28985	0.3
65.03939	0.9
67.05511	10.5
68.99802	1.4
69.03438	1.9
69.03785	0.4
69.07071	12.4
71.01360	100.0
71.08643	0.6
71.52294	0.6
79.05501	8.1
81.03447	0.5
81.07063	25.0
82.08097	0.4
83.08627	6.6
85.02908	1.0
85.10205	0.4
91.05484	8.3
93.07050	19.3
95.04961	1.1
95.08612	40.8
97.02899	5.7
97.10165	3.1
98.03685	1.0
99.04437	0.5
99.08105	0.5
103.05493	0.8
105.03394	0.5
105.07038	19.9
107.04957	0.8
107.08602	30.5
109.02872	2.0
109.06523	0.5
109.10163	34.9
111.11713	1.6
113.09740	0.4
115.03910	0.7
115.05395	0.8
117.07027	1.1
119.04939	0.6
119.08593	26.4
121.06502	0.5
121.10152	31.5
123.08044	0.6
123.11719	21.3
125.09630	0.8
127.03908	2.9
128.06198	0.6
129.07056	1.0
130.07802	0.5
131.04944	3.3
131.08577	3.5
133.10135	19.7
135.11696	22.5
137.13260	6.2
139.11140	0.9
142.07741	0.5
143.08553	1.3
145.10143	5.8
147.04427	1.2
147.11696	18.6
148.05167	2.8
149.02367	0.5
149.06000	0.4
149.13269	19.9
151.11198	0.4
151.14818	1.3
157.10126	1.1
159.04431	8.6
159.11700	7.4
161.05957	0.6
161.13264	20.4
162.13626	0.4
163.14827	9.3
164.04713	2.6
165.12807	1.0
171.11697	1.2
173.05997	4.7
173.13278	5.0
174.14009	0.5
175.03951	1.7
175.14845	10.7
175.16296	0.8
177.16396	10.3
179.14404	0.6
179.17966	0.7
185.02376	0.6
185.05943	1.3
185.13232	1.6
186.14012	0.5
187.03896	1.1
187.14825	5.5
189.16382	13.8
191.03323	0.9
191.17957	71.9
192.18283	1.1
193.19514	0.5
199.07532	0.8
199.14832	1.4
201.05495	0.7
201.16399	8.6
203.03372	3.6
203.07062	1.9
203.17970	28.7
204.18408	0.5
205.19536	9.2
207.17451	0.8
211.14932	0.5
211.39259	0.4
213.16396	1.6
215.17979	9.2
217.05013	0.6
217.19527	46.7
218.19868	0.7
219.06511	0.5
219.17490	0.7
219.21074	1.3
221.04372	0.5
221.18936	3.3
227.07036	2.2
227.17990	1.1
229.04947	1.6
229.19524	8.7
231.02901	15.0
231.21089	3.9
233.18964	1.4
235.20586	8.1
241.19525	1.0
243.21124	2.8
245.04494	8.5
245.19031	0.9
245.22659	8.8
247.06042	1.3
247.20467	0.5
255.21095	2.2
257.04446	2.3
257.22699	4.1
263.05719	0.6
269.22647	1.5
271.06049	1.1
271.24161	2.0
273.03967	1.7
275.05518	7.4
281.04456	0.7
283.24231	1.1
285.03851	0.6
289.07080	0.6
293.06714	0.7
297.25769	0.6
299.05548	4.2
301.07413	0.5
303.05057	0.5
317.06653	2.1
323.27151	0.5
327.05020	13.0
345.06070	22.6
346.06036	0.5
351.30045	0.5
353.32025	4.4
363.07141	2.9
407.36740	21.6
408.36877	0.5
408.72763	0.4
425.32254	0.7
425.37787	7.8
435.69806	0.5
503.45197	0.4
609.26379	0.7
649.30164	0.5
787.44043	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	786.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05271	1.8
55.05518	22.1
57.03437	18.0
57.07075	2.6
59.04990	4.1
60.92438	1.4
61.02921	5.0
65.03930	3.7
65.34256	1.5
67.05508	100.0
69.03423	4.8
69.07072	13.3
69.42419	7.5
69.42834	3.8
71.04987	5.2
73.41394	1.5
77.21628	1.4
79.05077	2.8
79.05499	41.0
80.27983	1.5
81.03421	11.1
81.07059	60.6
83.04971	4.2
83.08617	10.8
85.02920	7.3
85.06539	4.2
85.07072	1.6
87.04445	1.7
91.03985	1.8
91.05481	34.5
93.07047	46.3
93.07633	2.2
95.04989	7.4
95.08613	43.4
96.97471	1.4
97.02904	4.6
97.06540	4.2
97.10165	5.1
99.55362	1.4
105.04521	2.3
105.07032	19.3
107.04990	8.4
107.08603	22.7
109.06518	6.4
109.10162	64.9
111.08075	4.0
117.07009	10.5
119.08584	20.2
121.06500	4.9
121.10162	18.5
123.08028	3.1
123.11684	5.9
125.09616	3.1
129.06995	2.3
131.08553	15.4
133.10156	11.4
135.08049	2.5
135.11694	10.0
137.09628	4.4
137.13214	2.1
137.51802	1.8
139.11131	2.0
143.08614	3.6
145.06454	2.2
145.10136	12.8
147.11685	6.3
149.09639	3.2
149.13287	7.9
155.10670	4.1
157.10121	1.8
159.11714	10.8
161.09642	2.1
161.13283	3.7
163.11130	1.9
163.14816	4.5
169.10104	3.4
171.11720	2.7
173.11745	17.3
173.13245	4.7
175.11122	1.8
175.14857	2.4
187.11108	2.2
187.14790	3.2
189.11212	2.2
205.12238	2.4
207.13986	1.8
223.13335	13.8
227.12790	5.0
229.14352	87.0
243.21115	5.3
261.22159	20.4
275.20245	1.7
276.87314	1.6
279.15924	4.4
290.21414	1.6
297.17001	28.4
317.24710	6.2
335.25827	91.9
361.86557	1.9
447.32919	2.2
465.33493	2.2
483.34518	2.1
489.28979	2.6
489.35828	48.9
490.35324	2.0
539.37256	2.8
557.38245	21.6
575.39233	4.3
666.77039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03432	0.2
63.02360	0.2
65.03922	0.4
68.99796	0.5
69.03426	0.6
77.03935	0.8
78.04722	0.2
79.05495	0.3
81.03419	2.5
81.07045	0.2
85.02902	0.6
89.03924	1.1
91.05482	5.5
91.60085	0.2
93.07043	1.1
94.04205	0.2
95.04972	0.5
95.08614	0.3
99.04456	0.6
103.05472	1.1
105.03384	1.4
105.04512	0.2
106.04146	0.2
107.04969	0.6
107.08611	0.3
109.02898	1.0
117.03386	1.0
118.04140	1.0
119.04946	6.4
121.06525	1.7
121.10123	0.4
122.03654	0.7
127.03912	0.5
127.35686	0.2
131.04933	0.4
133.02858	27.0
134.03728	0.3
135.04425	1.6
137.05989	5.2
140.01054	0.5
145.02827	0.8
145.06505	0.3
147.04414	4.7
149.05988	13.9
150.06778	4.7
157.04013	0.9
157.06520	0.3
158.03658	0.4
159.04395	0.3
161.05966	1.7
162.03140	0.7
165.05482	4.0
165.06883	0.3
167.06996	0.2
168.00551	4.3
169.01318	0.4
173.05994	0.7
175.03917	19.0
176.06233	0.3
177.05475	2.4
177.07028	0.8
177.16350	0.2
179.03322	0.2
184.05156	0.5
186.01576	2.0
191.08592	0.4
194.07213	0.3
195.08115	0.2
201.05484	5.9
204.05701	0.2
205.06514	1.9
207.06473	0.3
212.04710	0.6
213.05434	0.4
219.08110	0.5
221.06017	0.6
222.06781	0.9
229.04926	0.5
232.05424	0.2
233.05984	4.2
237.09235	0.3
240.04247	0.8
241.05029	1.1
247.07484	0.9
249.05479	1.8
250.06221	0.8
250.62485	0.2
255.06540	0.7
257.04425	0.6
258.05225	2.2
261.05450	2.0
264.07855	0.5
265.08606	2.5
268.03622	0.7
269.04459	3.6
275.07104	0.5
277.04999	0.7
279.10089	0.3
283.06049	0.2
285.00928	0.2
285.03925	6.8
286.04727	74.0
287.05133	1.3
292.07336	1.8
293.08081	3.7
297.11331	0.3
301.07071	100.0
302.07455	1.8
307.09735	1.5
325.10715	22.1
326.10956	0.5
329.06662	0.2
343.11621	0.2
385.91650	0.2
469.15030	4.4
487.15948	1.7
546.74121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.4
55.05269	2.6
55.05517	35.3
57.03432	6.5
57.07064	4.6
59.43622	1.8
61.84192	1.8
65.03933	8.7
67.05509	100.0
69.03413	2.2
69.07076	27.5
71.05000	3.0
73.56161	2.0
77.03936	2.4
79.05501	84.3
80.14467	1.9
81.02988	3.3
81.03423	46.1
81.07061	85.8
83.04963	6.7
83.08629	15.8
85.06543	4.2
91.04912	2.3
91.05491	73.1
93.07052	90.9
95.04986	18.7
95.08616	60.2
97.06518	4.7
97.10171	5.1
98.20715	3.8
103.05458	3.7
105.04511	2.9
105.07037	53.9
107.04945	6.5
107.08602	36.6
109.06515	5.5
109.10164	27.3
111.08089	9.0
115.05441	4.0
117.07033	17.8
119.08598	36.1
119.73286	2.3
121.06480	3.0
121.09333	3.5
121.10148	41.7
123.04442	19.3
123.08057	2.6
123.11694	7.6
128.06187	3.8
129.07008	13.6
131.04924	6.3
131.08565	27.8
132.09311	2.0
133.06491	3.8
133.10127	22.0
135.04457	2.9
135.11717	16.3
137.09586	3.3
137.13197	2.3
141.06943	3.8
142.07745	3.0
143.08554	6.4
145.06483	6.1
145.10144	19.7
147.04398	13.7
147.08072	2.9
147.11714	18.9
149.06001	6.1
149.09656	11.9
149.13257	5.8
153.07089	2.3
155.08527	4.0
157.06429	2.7
157.10156	13.0
159.04515	2.7
159.08197	2.8
159.11728	12.0
160.05115	2.7
161.05956	10.5
161.13229	7.5
163.03920	6.3
163.07666	2.9
163.11176	2.8
163.14821	6.1
165.05463	9.7
165.12747	4.8
169.10156	4.0
171.11725	4.1
173.05957	6.8
173.13275	7.5
173.76524	2.0
175.03987	12.2
175.07607	2.7
175.11182	13.0
175.14909	2.9
177.05482	11.6
183.08006	2.4
183.11761	3.1
184.07407	2.0
185.05998	5.3
185.13268	4.5
186.39069	2.0
187.03848	3.9
187.07567	4.8
187.14833	5.0
189.05536	10.1
191.03418	7.2
193.05000	21.7
193.12241	21.2
199.07526	4.2
201.05450	7.3
201.09151	2.5
203.03415	32.2
203.07060	6.1
205.04993	3.5
211.07521	2.5
211.13261	19.1
211.14987	2.3
213.05479	3.0
215.07053	5.7
217.04976	22.5
217.08493	3.4
221.04398	3.9
227.06987	2.7
229.04968	22.5
231.02888	4.9
231.06491	4.4
241.04984	2.6
243.06575	16.5
243.13879	3.3
243.21115	6.9
245.04482	6.3
255.21086	2.4
257.04456	4.4
257.07999	2.3
261.22141	20.2
267.16040	3.5
271.06259	3.2
279.23218	3.9
289.14337	2.5
297.15018	2.5
313.14316	6.4
315.15903	4.1
317.24789	5.1
323.12845	5.8
325.14340	3.5
333.17017	11.0
333.24149	2.2
335.25809	59.8
339.15927	3.0
341.13898	28.5
341.17575	2.6
357.17010	8.3
359.14752	4.1
359.18744	3.6
367.15601	9.7
369.13007	4.8
369.17059	4.5
385.11566	3.9
385.16489	71.3
395.14783	6.0
403.17545	48.0
413.15924	37.8
423.18167	3.3
431.17053	16.3
433.22211	8.2
441.18869	6.6
453.33798	3.0
459.20053	19.9
469.18311	9.5
477.21222	7.1
487.19736	29.8
505.20767	34.2
518.06610	2.2
527.37177	11.3
528.38141	17.4
529.38208	2.3
601.38617	3.7
627.36499	7.1
645.37720	2.8
655.35486	2.7
673.37744	4.6
693.42249	6.4
719.41565	3.5
729.39465	4.7
737.41821	3.0
747.40442	7.8
765.42023	21.9
783.43188	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.4
57.03449	14.7
57.07077	5.8
60.08165	6.1
64.56676	2.8
65.03965	4.3
66.98918	2.8
67.05511	93.3
69.03416	4.1
69.07076	19.0
70.06606	19.2
79.05075	4.0
79.05501	60.4
81.07068	83.0
83.08619	9.2
85.02908	4.6
86.09711	31.6
91.05494	39.0
93.07054	67.0
95.04962	4.9
95.08614	73.5
97.06548	5.5
97.10160	4.0
105.04590	2.9
105.07030	37.3
107.08606	44.2
109.10155	33.7
116.07098	30.4
117.07031	9.3
119.08585	26.5
121.10168	30.9
123.08075	4.7
123.11705	12.9
125.00027	17.9
131.08566	18.0
133.10144	22.3
135.11687	21.8
137.13246	3.8
145.10110	21.7
147.11702	14.8
149.13249	12.2
151.07541	3.3
157.10101	3.4
159.11685	15.6
161.13278	9.3
163.14859	5.4
167.07117	3.6
173.13284	10.8
184.07356	100.0
185.13243	5.8
187.14772	6.9
199.14749	3.2
212.43445	2.8
224.94397	2.9
229.19513	2.9
241.19652	3.1
243.21115	4.3
245.19037	3.6
247.20503	15.8
259.20575	9.2
261.22119	18.6
289.49017	2.5
299.23969	2.6
303.23138	3.3
319.22757	6.7
321.24255	82.8
323.25870	9.4
333.24362	3.1
335.25800	89.4
337.27353	7.1
385.78833	3.0
553.56171	3.2
555.55365	2.7
581.45514	27.7
599.46643	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	779.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05510	2.3
55.45663	0.7
57.03428	2.5
61.02922	4.8
65.78154	0.7
67.05498	3.9
69.03429	2.8
69.07067	2.6
69.37599	1.7
69.38026	3.4
71.04987	1.0
73.02910	3.4
75.67075	0.6
79.05510	3.9
81.03420	3.5
81.07047	5.7
83.04990	1.9
83.08610	1.6
85.02905	6.3
91.03971	2.1
91.05486	3.8
93.07046	3.6
95.04984	1.4
95.08609	3.4
97.02890	4.6
97.06532	1.2
101.02402	1.9
105.07045	2.7
107.08603	2.6
109.02903	1.3
109.10183	1.0
119.08616	2.1
121.10168	1.5
127.03943	1.5
129.07007	1.1
131.08617	1.6
133.10164	1.9
145.10063	0.7
146.38478	0.7
147.11708	1.2
155.79630	0.7
175.11206	0.8
185.04300	0.8
193.12247	1.3
243.08472	2.4
333.20517	2.8
366.06259	0.8
439.20038	0.7
469.20490	10.0
525.75293	0.7
551.28094	4.5
779.41840	100.0
780.42273	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	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05504	1.3
57.03432	1.8
57.07079	0.8
59.04988	0.7
61.02935	5.0
63.37949	0.3
67.05510	5.1
69.03435	4.1
69.07063	1.1
71.04993	1.3
73.02921	3.9
79.05495	4.1
80.60733	0.3
81.03423	2.7
81.07070	4.1
83.04972	0.7
83.08617	0.8
85.02914	5.7
85.06544	0.3
87.04478	0.9
89.06027	0.7
91.03967	4.0
91.05489	2.8
93.07052	4.0
95.04988	0.9
95.08608	3.9
97.02907	5.2
97.06525	0.5
98.20676	0.6
99.04482	0.7
99.08132	0.3
100.27812	0.3
101.02383	1.7
103.03944	1.0
103.05470	0.3
105.07047	3.9
106.07374	0.4
107.08597	2.3
109.02887	1.0
109.10170	1.1
111.08094	0.6
112.46668	0.3
115.03936	0.6
117.07037	0.4
119.08620	1.3
121.06542	0.3
121.10149	2.5
123.11692	0.4
127.03938	1.1
129.07051	0.6
131.08592	1.3
133.10136	1.4
135.08069	0.4
135.11705	0.8
145.04971	0.3
147.11702	1.2
149.09644	1.1
149.13295	0.4
157.10139	0.7
175.11253	0.5
185.04239	1.0
193.12428	0.7
200.34181	0.3
203.05321	0.5
233.11655	0.3
243.08385	2.4
267.15894	0.5
277.78314	0.3
283.15161	6.0
335.26025	1.2
339.17871	0.9
353.10419	0.3
387.39746	0.3
414.00574	0.3
417.30997	0.3
469.20718	0.3
488.13913	0.3
501.23090	8.3
519.29407	7.1
534.87628	0.3
779.45538	100.0
780.45856	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	781.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05513	1.7
57.03440	2.0
61.02932	6.1
65.03948	0.8
67.05513	9.3
69.03448	3.3
69.07072	1.6
69.87608	2.9
71.05014	0.8
73.02923	3.7
77.16824	0.5
79.05495	4.7
79.06716	0.5
81.03432	1.3
81.07066	6.8
83.08601	0.9
85.02915	5.4
91.03946	2.8
91.05517	2.7
93.07053	5.2
93.08747	0.5
95.04953	0.6
95.08622	4.9
96.94850	0.5
97.02903	4.5
97.10161	0.5
99.04475	0.8
101.02398	2.2
105.07049	2.1
107.08601	1.7
109.02892	0.9
109.10163	5.6
111.08064	0.6
111.79867	0.5
117.07057	0.9
119.08597	1.2
121.10175	1.8
127.03957	1.7
131.08557	0.9
133.10152	1.2
135.11736	1.0
145.10188	0.9
147.11697	0.8
155.10703	0.5
173.11835	1.3
181.06577	0.7
184.07335	0.8
185.04306	1.0
189.05400	0.5
195.10034	1.3
213.05530	1.0
215.07190	0.5
225.09161	0.6
227.07143	0.9
229.05141	0.8
229.14444	0.8
243.08574	1.9
257.04614	0.7
261.22150	0.7
335.25916	4.5
337.14508	0.7
355.15445	2.7
367.15659	0.6
383.15070	1.5
396.23599	0.6
411.14380	1.5
413.17957	8.0
417.53024	0.6
457.18539	0.8
503.19208	1.1
519.29358	8.0
540.13416	0.6
691.40338	100.0
692.40857	3.1
745.40033	0.6
763.40765	1.3
781.42090	15.5
785.29309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	2.7
57.03448	2.6
57.07071	0.6
59.04999	0.7
61.02932	4.3
61.25442	0.5
67.05512	4.6
69.03440	2.9
69.07068	2.4
69.69424	3.2
71.05003	0.8
73.02940	3.4
73.67657	0.5
74.57541	0.5
75.79520	0.5
79.05504	4.2
81.03436	3.0
81.03829	0.5
81.07066	3.9
81.68662	0.5
83.04998	0.7
83.08630	1.5
85.02902	4.6
85.10075	0.5
91.03955	2.7
91.05493	3.2
93.07062	4.0
95.04963	1.4
95.08625	2.3
97.02906	4.8
97.06557	0.8
97.10213	1.5
98.21503	0.8
99.04486	0.8
101.02405	1.2
105.07028	2.7
107.04977	0.7
107.08600	2.0
109.06573	0.7
109.10172	0.9
111.04449	0.6
111.08192	0.7
115.05475	0.6
117.07053	1.1
119.08595	1.8
121.06593	0.7
121.10162	1.2
123.08088	0.8
125.09682	0.6
127.03953	0.9
127.30575	0.5
131.08588	1.1
133.10194	0.8
135.11690	0.7
145.10164	1.4
147.11726	0.8
157.10167	0.8
159.11792	0.5
163.11237	1.9
185.04321	0.8
193.12334	1.0
227.97983	0.5
243.08437	3.6
275.20139	0.6
291.19635	1.0
304.96643	0.5
320.80289	0.6
333.20551	0.6
351.01236	0.6
467.18762	4.7
469.20535	3.2
506.61850	0.6
549.27032	1.9
551.28204	3.7
777.40375	100.0
778.39893	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	777.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
57.03439	2.2
57.07076	0.5
59.05015	0.5
61.02935	6.2
65.03934	0.7
67.05508	5.5
69.03435	4.2
69.07066	1.5
71.52341	0.6
73.02921	5.1
79.05505	4.1
81.03422	2.4
81.07061	6.0
82.86099	0.6
83.04977	1.0
83.08611	0.8
83.67784	0.5
85.02917	5.4
89.06059	0.7
91.03954	3.7
91.05499	3.5
91.89342	0.5
93.07051	4.0
93.39861	0.5
95.04994	0.8
95.08615	3.7
97.02911	5.0
99.04491	1.3
101.02412	1.8
105.07036	1.5
107.08607	2.3
109.02878	1.0
109.06406	0.5
109.10167	1.4
111.04434	1.1
115.03960	0.5
116.67995	0.5
117.07047	1.5
119.08621	2.0
121.10175	2.0
123.08084	0.6
123.11742	0.6
127.03935	1.5
131.08629	1.3
133.10172	0.7
135.11728	2.0
145.10152	1.5
147.11728	0.7
148.28604	0.6
149.13313	0.6
153.12746	0.6
163.11198	1.2
168.83730	0.5
185.04239	0.7
223.13281	0.6
243.08449	2.7
281.13593	7.4
281.16357	0.7
291.70169	0.5
335.25809	0.9
337.16318	1.1
337.90768	0.5
454.01947	0.6
499.21515	5.3
519.29291	7.2
777.43976	100.0
778.44708	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	778.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
55.05512	13.4
57.03443	9.4
57.07081	3.2
59.05018	3.7
67.05511	22.1
69.03416	1.9
69.07075	56.2
71.04999	8.0
71.52261	1.9
73.06533	1.9
75.04470	2.7
79.05487	11.6
81.03432	3.1
81.07056	19.6
83.04990	5.5
83.08627	14.5
85.02914	5.5
85.06535	4.5
87.04485	5.7
89.06038	51.8
91.05487	5.5
93.07047	27.0
95.01329	2.7
95.04972	4.3
95.08609	22.7
97.02884	2.6
97.06526	23.1
103.03947	5.8
105.07069	3.3
107.08598	28.3
109.02903	2.4
109.10162	12.6
111.08095	8.0
111.11735	5.5
115.07554	2.3
119.08564	2.3
121.10168	5.5
127.03887	2.7
131.08598	2.0
133.08607	38.5
133.10153	2.7
135.11697	53.4
137.06046	2.9
139.11192	6.8
141.01849	7.1
146.12323	1.7
147.04391	2.5
147.11711	2.0
149.09750	1.8
153.05553	2.3
153.12752	40.3
153.13962	2.5
157.10236	2.3
160.98027	1.7
171.13776	13.5
175.09700	2.1
177.05521	2.5
177.11246	24.5
197.15379	32.1
203.01692	1.7
211.16905	2.0
213.15031	2.1
215.16464	5.8
221.13933	3.6
227.16478	16.0
229.18195	2.0
231.16000	4.8
239.14928	2.9
245.17516	100.0
265.16492	2.8
283.17520	27.6
302.07339	2.2
303.21722	7.5
323.20361	3.9
341.21918	4.1
347.24216	4.8
391.26981	2.8
403.19696	2.3
435.29559	2.3
474.10104	1.7
493.33643	3.1
511.34625	2.3
549.36047	3.2
567.37512	29.7
568.77374	1.9
585.38751	5.3
778.39404	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	777.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03440	0.2
68.99800	0.7
69.03433	0.3
69.05556	0.2
71.52277	0.3
72.08149	0.2
73.02913	0.1
81.03402	0.2
81.07065	0.2
84.08125	0.2
85.02903	0.5
91.05510	0.3
95.04974	0.2
97.02886	0.4
105.03406	0.5
106.04093	0.2
107.04971	0.6
107.08642	0.2
109.02909	0.2
111.04449	0.2
118.04202	0.2
119.04934	0.5
119.06069	0.1
121.02898	2.7
122.65362	0.2
127.00282	0.2
127.03930	0.7
131.05009	0.3
133.02882	1.2
133.10120	0.2
134.12556	0.2
135.04408	0.2
137.05994	0.2
139.00301	0.4
145.02852	0.2
147.04419	0.8
153.01868	0.6
161.02344	0.2
161.05960	0.2
165.01894	0.6
167.07121	0.3
168.00591	0.9
169.01350	1.8
175.03879	0.2
177.05417	0.4
181.01375	0.2
181.05067	0.2
183.02922	2.1
183.04359	0.2
185.00818	0.2
186.01643	0.3
191.07083	0.4
200.04805	0.2
207.06580	0.3
208.07022	0.2
211.03792	0.2
215.03506	0.2
227.03467	0.3
240.04233	0.2
241.04987	0.3
244.03748	0.6
253.04965	0.3
255.02956	0.3
256.04126	0.2
257.04440	0.4
265.05054	0.2
267.02899	0.2
268.03735	0.6
269.04550	0.7
271.02588	0.2
281.04572	0.3
282.05417	0.5
285.03983	0.5
286.04648	0.9
287.05658	0.6
292.07269	0.2
293.04474	2.1
294.05151	0.3
296.03265	0.5
297.04019	0.8
298.04892	0.2
300.02658	0.2
301.06973	1.3
303.06436	0.5
305.69180	0.2
309.03763	0.3
311.05490	0.8
312.06262	1.9
314.04114	0.4
315.04922	0.8
316.07333	0.2
317.08237	0.2
318.05069	0.3
319.05957	0.4
320.06909	0.4
321.04028	0.3
323.05618	0.8
327.06537	0.2
328.07266	0.2
329.07990	0.2
331.06134	0.3
333.07767	0.2
335.05466	0.2
336.06238	0.3
337.03381	0.4
339.05200	0.3
343.06171	0.4
344.06943	0.7
345.07727	0.6
347.05615	0.5
348.06357	0.5
349.03607	0.2
350.04358	0.2
351.05164	0.3
358.08640	0.3
359.05484	0.4
360.06250	0.3
361.07065	1.2
362.04221	0.3
363.05130	0.4
366.03726	1.1
367.04633	0.4
371.05591	0.4
372.06378	0.6
373.07169	1.6
374.08035	0.3
375.05060	0.8
376.05878	1.8
380.05405	0.2
386.07852	1.8
387.04578	0.3
387.08911	0.3
389.06659	2.8
390.07510	1.9
391.04535	0.5
392.05493	0.5
393.02359	0.4
395.04071	0.7
400.05859	0.7
401.06601	0.8
402.07443	0.3
404.05249	3.5
405.06091	0.6
407.08112	0.3
409.07028	0.4
413.06729	0.6
414.07425	2.0
415.08377	1.1
416.05090	0.3
417.06342	0.3
418.06888	5.2
419.07758	10.5
420.04547	2.0
421.01230	0.2
421.06287	0.3
423.03290	1.3
424.05566	0.2
432.08459	0.3
433.09399	0.3
435.03094	0.3
437.06314	0.4
438.05930	1.2
441.06046	0.9
444.04877	0.6
445.05579	0.6
447.03653	1.0
448.04190	0.2
451.03119	0.4
455.07721	0.7
465.04684	1.9
466.06720	0.4
467.07520	0.2
469.05579	0.2
480.08597	0.4
481.09174	0.4
483.07269	1.0
484.08017	0.3
491.07465	0.4
494.06128	0.2
497.08817	0.3
508.08090	0.3
509.08722	0.9
511.06464	1.0
515.06812	0.2
520.07764	0.3
522.05597	0.3
523.06598	0.2
525.08514	0.3
529.07745	0.5
536.07404	0.3
537.08215	1.9
538.08716	0.3
539.06036	1.4
540.06433	0.2
553.08124	0.6
554.08240	1.0
556.06494	0.5
557.07147	1.0
565.07654	2.4
567.05505	0.6
568.06451	0.4
569.11084	0.9
582.07947	2.9
583.08728	1.1
585.06696	4.1
597.10272	1.4
600.08972	1.7
615.11389	100.0
616.11792	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	777.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
65.03941	0.2
68.99796	0.8
69.03424	0.3
79.05477	0.2
81.03418	0.3
81.07075	0.3
85.02910	0.6
91.05486	0.5
95.08627	0.4
97.02889	0.4
98.20750	0.5
105.03384	0.5
107.04948	0.6
107.08566	0.3
112.49693	0.2
118.04177	0.4
119.04981	0.5
119.08585	0.4
121.02889	2.5
127.03966	0.5
131.04927	0.2
133.02899	1.3
135.04419	0.2
137.06020	0.4
139.00278	0.4
145.02849	0.3
147.04428	0.7
153.01851	0.7
159.04259	0.3
161.02338	0.3
165.01860	0.7
167.07065	0.2
168.00555	0.9
169.01357	1.4
173.08028	0.2
175.03848	0.2
181.01373	0.3
181.04913	0.2
183.02908	1.4
186.01640	0.4
191.07152	0.3
198.12027	0.2
199.03961	0.3
201.05522	0.3
201.11266	0.5
211.03798	0.3
213.05539	0.2
216.04227	0.2
221.08063	0.2
226.02905	0.2
227.03365	0.4
237.05482	0.2
239.03603	0.3
241.05096	0.2
244.03786	0.5
248.13771	0.2
253.05006	0.3
255.02956	0.3
257.04529	0.6
265.05069	0.4
268.03601	0.5
269.04498	0.7
273.03961	0.2
281.04474	0.3
282.05273	0.4
284.03339	0.2
285.03937	0.6
286.04678	1.4
287.05472	3.4
293.04517	2.3
294.05176	0.2
296.03210	0.7
297.04034	0.8
300.02701	0.4
301.03818	0.3
301.06973	1.7
303.06708	0.3
307.06116	0.2
311.05652	0.8
312.06265	1.4
314.04230	0.5
315.05072	0.5
316.07468	0.3
317.08276	0.3
319.05951	0.4
320.06815	0.4
323.05618	0.4
327.14401	0.4
335.05508	0.3
338.04263	0.2
339.05017	0.3
343.06110	0.3
344.06921	0.8
345.07651	0.4
347.05682	0.5
348.06503	0.5
349.03647	0.3
351.05203	0.4
357.07571	0.2
359.05527	0.3
360.06326	0.4
361.07162	1.3
363.05078	0.5
364.05905	0.3
365.02905	0.3
366.03687	1.0
367.04486	0.3
369.07535	0.4
372.06403	0.5
373.07181	1.5
375.05069	0.8
376.02005	0.2
376.05939	1.8
377.02792	0.3
377.07028	0.3
385.07147	0.5
386.08093	1.9
387.08743	0.5
389.06589	2.6
390.07306	1.9
391.04236	0.4
392.05441	0.6
393.02298	0.5
393.06912	0.3
395.04071	0.9
397.07251	0.3
399.04816	0.3
400.05869	0.3
401.06818	1.0
402.07504	0.4
404.05286	3.4
405.06299	0.5
410.07660	0.3
413.06696	0.8
414.07434	1.7
415.08368	1.0
416.05099	0.5
417.06104	0.6
418.06891	5.3
419.07672	10.6
420.04510	1.9
423.03641	1.0
433.09323	0.5
437.06503	0.4
438.06046	1.3
441.06241	0.6
444.04828	0.5
445.05603	0.6
447.03552	0.8
455.07709	0.6
459.07172	0.3
462.07825	0.2
465.04639	2.3
466.06796	0.5
479.07547	0.3
481.09247	0.3
483.06998	0.9
491.07938	0.2
494.06555	0.5
507.07361	0.2
508.07959	0.3
509.08838	1.3
511.06326	0.9
522.05780	0.3
529.07788	0.7
536.07251	0.3
537.08252	2.6
539.05872	1.2
540.06952	0.3
553.08179	0.5
554.08527	0.8
556.06476	0.4
557.07141	0.9
565.07843	1.9
567.05499	0.5
568.06146	0.4
569.10614	0.7
582.07977	2.6
583.08588	0.9
585.06702	3.9
597.10291	1.5
600.09015	1.9
615.11340	100.0
616.11658	4.0
777.30969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
55.05515	42.3
57.03440	20.6
57.07068	3.7
59.05009	4.2
60.01295	0.8
60.35483	0.7
61.02935	3.7
65.03954	3.8
67.05508	100.0
68.05034	0.7
69.03432	3.3
69.06730	1.3
69.07070	17.9
70.10242	2.9
71.01360	1.7
71.04995	4.9
73.02908	2.3
77.03934	1.4
79.05496	48.8
81.03417	5.8
81.07061	61.2
83.04987	4.2
83.08627	16.6
85.02915	16.0
85.06541	3.5
87.04464	6.9
91.03943	1.2
91.04916	0.8
91.05489	28.7
93.07050	42.5
95.04984	5.5
95.08611	43.3
97.02913	4.0
97.06513	4.5
97.10171	22.3
99.04465	1.2
103.03933	2.1
105.04546	1.0
105.07036	17.7
107.04945	2.5
107.07877	1.5
107.08598	27.5
109.06490	2.1
109.10159	55.4
111.04434	0.9
111.08063	2.9
117.07031	7.4
119.07813	1.2
119.08591	15.3
121.06551	1.2
121.10147	20.2
123.08064	2.6
123.11705	6.4
125.09639	21.1
129.07013	2.4
131.08572	10.9
133.10138	10.3
135.08073	1.8
135.11702	13.8
137.02997	0.8
137.09607	2.5
137.13228	1.5
139.11176	2.2
143.08562	1.6
143.10669	2.5
145.10133	9.1
147.08057	1.0
147.11708	8.4
149.09628	1.6
149.13297	5.7
151.11224	1.1
153.12697	1.5
155.10675	3.9
157.10135	2.5
159.11697	5.6
161.13220	5.0
163.11205	5.0
163.14876	1.8
167.10764	0.8
171.11699	2.3
173.09688	1.0
173.11743	11.5
173.13264	4.8
175.14841	1.8
179.14352	1.0
181.12236	1.9
183.11693	1.4
185.13336	1.9
187.14806	3.1
189.11229	1.4
189.12749	1.0
191.10710	1.6
193.12286	2.6
199.13316	11.2
209.11694	3.1
209.13420	1.0
211.13177	1.6
217.14275	2.2
227.12807	6.3
229.14362	45.5
230.14565	0.8
243.21193	4.0
245.13846	2.8
248.57889	0.8
257.13922	0.8
259.20654	2.0
261.22156	15.3
267.15887	4.8
271.20193	1.0
277.21616	1.8
283.15408	2.3
289.21555	1.4
301.16476	16.0
309.22171	0.8
315.23245	1.7
317.24850	2.2
327.23087	1.0
333.24176	1.1
335.25821	76.2
336.26111	1.7
351.25299	0.9
363.25101	1.9
433.30295	1.0
459.34647	2.1
469.32962	1.7
477.35828	10.1
489.35770	15.8
497.03427	0.7
505.35126	0.9
507.36145	0.8
517.35400	0.9
543.36957	4.8
561.38043	8.2
577.67529	0.8
579.39020	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
55.05516	44.6
57.03441	15.5
57.07075	2.6
59.05010	4.4
61.02930	4.3
65.03940	3.1
67.05508	100.0
68.05829	0.9
69.03436	3.1
69.07073	19.5
69.28848	6.6
69.93977	0.8
71.01360	1.8
71.04996	4.8
71.08628	1.0
73.02924	2.2
77.03956	0.8
79.05498	48.4
81.03436	6.9
81.07060	63.6
83.04988	8.0
83.08625	18.0
85.02911	13.8
85.06543	4.1
87.04476	6.4
89.06039	1.1
91.03959	1.8
91.05490	28.7
92.05820	1.0
93.07049	45.7
95.04961	6.3
95.08611	46.5
97.02883	4.1
97.06533	6.0
97.10179	19.5
97.10818	0.4
98.21645	0.7
99.08116	1.6
103.03969	1.4
103.62570	0.7
105.04559	1.7
105.07037	16.6
107.04985	2.3
107.08599	31.4
109.06538	2.6
109.10162	55.0
110.41127	0.8
111.04466	1.6
111.08056	4.4
113.02385	0.7
117.07024	7.6
119.06078	0.7
119.08584	16.3
121.06535	1.1
121.10149	21.6
123.08099	3.2
123.11710	5.9
125.09624	19.8
129.07056	3.1
131.08578	12.0
131.09538	1.0
133.10132	11.2
135.08107	1.3
135.11702	14.4
137.09612	3.7
137.13252	1.5
139.07632	0.9
139.11206	2.9
143.08594	1.4
143.10669	4.3
145.10121	11.4
147.08046	1.1
147.11702	7.1
149.09628	1.8
149.13264	6.6
151.11192	1.0
151.14882	1.1
153.12796	2.3
155.10626	4.5
157.10201	2.2
159.10544	1.4
159.11697	6.3
161.13269	4.5
163.11203	5.9
163.14886	2.6
165.12837	1.3
169.10202	1.1
171.11703	1.5
173.09746	1.7
173.11789	13.0
173.13336	6.3
175.14871	2.4
177.12836	0.9
177.16394	0.9
181.12302	1.9
185.13246	1.6
187.14867	1.7
189.11269	1.4
191.10754	2.1
193.12332	2.0
199.13326	10.7
199.14912	1.2
201.16399	0.9
203.12744	1.2
209.11745	4.3
211.13388	1.1
216.21596	0.8
217.14395	2.6
227.12769	8.0
229.14355	40.5
233.22662	1.1
243.15955	0.8
243.21150	4.8
245.13867	2.3
257.13931	2.0
259.20682	3.0
261.22144	13.7
267.16003	3.9
273.22131	0.8
277.21698	1.5
283.15631	2.8
285.22162	0.8
288.69131	0.8
289.21658	0.9
299.15070	1.5
299.23773	1.2
300.15369	1.3
301.16504	16.4
315.23181	1.8
317.24884	3.1
319.17694	1.4
327.23129	1.5
333.24442	1.6
335.25809	81.9
336.26297	3.4
363.25500	1.6
433.31284	1.0
451.32278	1.2
459.34995	1.4
469.33005	1.8
477.35764	11.7
487.34564	1.5
489.35809	18.2
505.35379	1.1
543.36890	5.0
561.37860	12.9
579.38885	4.1
689.44153	0.9
776.41046	2.7
778.59357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05511	2.3
57.03426	3.0
61.02938	5.0
64.79751	0.6
67.05517	4.5
67.26026	0.7
67.34921	0.7
69.03451	3.1
69.07067	2.7
71.52562	1.0
73.02917	3.6
73.42652	0.7
79.05506	4.2
81.03416	3.6
81.07064	3.7
83.04990	1.2
83.08656	1.2
85.02916	3.4
91.03957	2.1
91.05501	3.4
93.07058	3.4
95.04978	1.7
95.08637	2.2
97.02891	4.8
97.06564	0.9
97.10181	2.1
99.04467	0.7
101.02404	1.4
105.07044	2.4
107.08610	2.3
109.02904	1.0
109.10181	1.3
117.07041	1.1
119.08618	2.0
121.10152	0.8
123.08054	0.9
125.09637	1.2
125.12054	0.7
127.03989	1.3
129.07053	1.3
133.10152	0.9
134.56178	0.7
135.11711	1.9
145.10168	1.7
163.11205	2.2
169.17920	0.7
185.04245	1.0
223.13303	1.6
243.08395	4.4
291.19711	2.1
331.18845	2.2
446.44598	0.7
467.18851	8.6
549.26843	3.9
695.54950	0.8
728.45618	0.7
775.38776	100.0
776.38989	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	776.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.7
55.05512	19.8
56.70501	2.0
57.03429	5.6
57.07074	3.8
59.05009	12.5
61.02914	2.8
67.05498	13.4
69.03442	12.3
69.07072	54.8
69.35185	16.9
71.04993	5.2
71.84531	2.1
73.02898	2.4
73.06548	4.6
74.57800	2.1
79.05498	16.2
81.03424	19.8
81.07059	42.1
83.04977	15.0
83.08611	8.6
85.02915	25.4
85.06551	4.5
87.00845	10.1
87.04462	6.2
89.06033	47.6
91.05461	4.3
93.07051	34.7
95.04981	3.5
95.08604	29.1
97.02884	11.0
97.06544	21.4
97.10174	19.3
99.04437	5.9
101.06030	3.8
101.09673	2.7
103.03944	4.5
103.07589	3.0
105.01836	2.3
105.07024	5.2
107.08595	8.3
109.02887	14.3
109.10149	7.5
111.08083	3.3
111.11716	11.5
115.07640	2.4
117.01883	2.3
117.07094	2.2
117.09171	3.0
119.08571	5.8
121.06455	3.7
121.10145	46.7
123.20432	2.2
125.05962	2.1
127.03956	16.4
131.08601	4.2
133.08612	37.6
133.10121	3.1
135.11687	8.8
137.06006	2.2
137.35835	2.2
139.11183	100.0
143.08606	2.5
145.04944	3.2
145.10164	2.6
146.69655	2.2
149.05991	2.8
149.13190	2.4
153.12732	5.1
157.12247	91.3
159.02866	4.5
159.11700	2.5
161.13284	2.8
167.07060	3.5
177.11298	13.9
183.13821	37.8
189.12732	2.3
197.15416	10.4
201.14929	10.3
201.16437	2.3
215.16446	37.0
221.13885	6.8
231.05040	2.9
233.17453	3.7
239.14920	22.6
241.18053	4.5
245.17610	2.7
247.62108	2.1
259.19073	2.6
273.20566	11.7
279.18185	5.9
293.42542	2.3
297.19095	16.5
301.07056	5.2
337.22119	6.3
377.25436	8.8
395.34052	2.2
435.29599	3.5
493.33716	6.7
511.34750	16.0
540.18359	2.2
570.85986	2.1
776.37683	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60651	1.1
55.01867	3.3
55.05514	16.9
57.03444	14.2
57.07076	1.8
61.02916	2.1
65.03940	2.9
67.05511	55.1
69.03431	3.2
69.07070	14.0
70.28571	1.1
71.04996	3.4
71.16402	1.7
79.05500	43.3
79.05966	2.1
81.03425	83.0
81.07063	59.9
83.04987	5.3
83.08627	24.2
83.30028	1.0
85.02912	1.3
85.06526	3.0
91.05486	33.9
91.06025	2.3
93.07050	45.7
95.04977	26.7
95.08614	40.7
95.09236	1.0
97.02879	2.7
97.06532	3.6
97.10171	9.2
99.08106	2.0
100.96303	1.1
105.07038	27.6
107.04984	6.8
107.08607	24.2
109.06509	5.5
109.10166	21.7
111.08089	7.1
113.24738	1.1
115.05469	1.7
117.07030	6.2
119.04929	1.7
119.08587	22.9
121.06518	3.5
121.10153	23.7
123.04457	1.4
123.08078	3.3
123.11701	7.2
125.09637	4.9
129.07028	8.9
129.09215	1.2
131.08586	19.2
133.06500	3.4
133.10143	13.6
135.08070	2.4
135.11710	13.8
137.09662	3.0
137.13223	2.0
142.07809	2.5
143.08551	2.4
145.10153	12.4
147.08038	3.1
147.11682	14.7
149.09615	5.1
149.13264	8.7
152.25836	1.1
157.10149	10.8
159.11659	9.2
161.13257	4.2
163.11154	2.1
163.14844	3.2
165.12799	2.4
169.10095	1.6
171.11609	1.5
173.13251	4.3
175.11201	5.9
175.14806	2.2
180.43175	1.1
185.13251	1.3
187.14867	3.6
189.11214	3.8
193.10645	1.9
193.12274	21.1
211.13268	1.8
211.15070	1.1
227.12764	7.6
235.13258	2.0
243.21112	5.5
249.14914	3.4
255.20560	1.2
259.13321	1.6
261.22159	18.8
267.15942	100.0
273.14694	1.4
279.23215	1.6
301.14490	1.7
301.25272	6.4
309.17029	2.5
317.24704	4.3
333.24402	1.2
335.25830	93.9
336.26172	1.8
417.31726	1.4
421.25946	2.4
435.27264	2.2
435.32620	4.2
449.28528	1.2
453.33728	9.0
471.34729	4.9
527.37372	63.5
528.37488	1.6
545.38416	57.6
546.39105	1.8
559.39990	2.3
569.38159	4.5
611.39319	1.2
635.38995	2.0
671.41290	1.7
692.75580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
57.03442	3.3
57.07083	100.0
59.05010	37.9
59.66942	1.5
67.05511	2.4
69.07063	4.3
69.18120	12.9
71.08640	75.5
74.09713	1.8
83.08636	2.2
85.10192	63.5
87.04475	5.8
89.06042	29.5
95.08637	1.8
97.10187	2.9
99.11734	15.3
101.06022	1.5
101.09660	4.1
105.07034	2.0
113.13284	4.0
117.09135	14.5
130.83871	1.3
133.08632	24.9
146.08035	1.6
155.17947	11.5
158.11748	1.3
175.09807	1.3
177.11249	8.3
213.22139	20.5
221.13861	1.6
254.24756	2.8
271.26355	27.4
371.22589	7.6
429.27011	2.2
589.37903	1.6
612.47192	2.8
774.59003	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	773.2142
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01876	0.2
55.05517	0.3
57.03444	2.0
58.20110	0.1
61.02932	2.4
67.05506	0.1
68.99804	0.4
69.03429	0.8
69.37972	0.2
69.38393	0.7
71.01349	0.2
71.05001	11.5
73.02929	1.1
73.31580	0.1
75.04475	0.9
81.03425	0.6
81.52872	0.1
83.04992	1.8
85.02914	19.8
87.04470	0.4
91.03964	1.9
92.61844	0.1
93.03408	0.2
95.04991	0.1
96.93140	0.1
97.02903	2.5
98.21540	0.2
99.04456	0.4
109.02899	0.7
111.00816	0.7
111.04450	1.2
115.03925	0.2
121.02911	0.8
123.04363	0.2
127.03929	1.8
129.05493	6.3
135.04434	0.2
137.02361	2.5
137.03435	0.2
145.04973	1.6
147.06534	3.6
149.02396	0.4
151.04002	0.1
152.07086	0.2
152.94641	0.1
153.01846	2.8
153.03004	0.2
155.04980	0.1
161.06062	0.3
163.04008	0.5
163.06041	1.1
165.01845	1.5
165.07518	0.1
166.02606	0.2
173.06094	0.2
177.01909	0.1
183.02930	0.6
187.04053	0.1
191.03334	0.2
195.02846	0.2
201.05479	1.3
205.05061	0.1
207.02899	0.1
219.02895	0.2
219.06462	0.3
229.04982	3.1
247.05927	0.5
255.08641	0.4
257.04492	2.3
273.09753	0.2
274.04776	0.7
275.05603	0.3
285.04010	1.1
303.05017	100.0
304.05383	1.7
309.11862	0.2
315.05051	0.5
327.05103	0.2
345.06003	0.7
369.06036	0.4
399.07098	0.1
429.08102	0.2
447.08859	0.2
465.10352	2.1
512.26111	0.1
583.08215	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.4
55.05519	28.1
57.03431	13.2
57.07059	5.4
58.36971	3.5
61.02912	14.5
63.43365	4.5
65.03954	5.2
67.05510	100.0
69.03432	6.7
69.07081	26.1
71.08621	4.6
73.02927	6.5
79.05500	73.0
81.03413	7.8
81.07061	87.5
83.04987	6.3
83.08608	15.9
85.02891	9.3
91.03943	4.5
91.05490	69.6
93.07051	88.2
95.04986	6.0
95.08615	60.7
97.02884	10.7
97.06554	6.4
97.10172	9.7
105.07037	60.3
107.05010	4.7
107.08612	45.5
109.06508	6.6
109.10146	27.7
115.05483	4.9
117.07018	22.6
119.08588	57.7
121.10160	36.5
123.11713	4.3
128.06302	3.9
129.06963	15.2
131.08578	35.1
133.10144	41.3
135.11722	25.6
137.09677	4.1
143.08565	18.0
145.10114	34.2
147.11679	35.2
149.09673	5.7
149.13245	14.3
155.08545	6.8
157.10162	19.7
159.11713	29.6
161.13289	28.9
163.14873	8.9
169.10184	11.0
171.11699	17.7
173.13280	15.5
175.14833	12.7
183.11671	6.2
185.13234	16.4
187.14789	7.6
195.11786	4.0
197.13339	6.6
199.14772	10.2
201.16226	4.4
205.64694	4.0
211.14871	5.9
213.16408	7.5
231.20885	6.1
241.19560	16.1
243.21205	6.8
257.18970	8.5
259.20584	48.1
261.22189	6.5
301.21436	4.7
328.34448	3.8
333.24274	38.3
335.25833	99.0
337.27441	6.0
385.23468	4.2
403.24982	5.5
519.41846	8.3
548.89270	3.9
593.45422	14.6
611.37939	6.8
611.46844	97.9
701.46832	4.4
719.47430	5.0
737.49225	5.1
755.50323	5.1
773.51416	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	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.5
55.05516	45.4
57.03438	25.0
57.07077	3.2
61.02930	5.3
65.03945	4.5
67.05510	89.2
69.03440	14.8
69.07076	45.1
71.01359	2.2
71.03270	4.5
71.05009	11.2
77.03925	2.4
79.05502	91.9
80.05876	1.9
81.03423	95.0
81.07063	91.7
83.04992	30.1
83.08629	44.1
85.02914	35.9
85.06543	5.8
87.04476	2.3
91.05489	100.0
92.74706	1.9
93.07054	72.6
95.04969	37.6
95.08613	47.7
97.02331	2.0
97.02884	10.5
97.06531	17.9
97.10170	20.5
99.08099	5.5
105.07040	66.0
107.04948	19.6
107.08607	45.7
109.02891	3.2
109.06513	11.9
109.10131	15.2
111.04433	3.1
111.08070	16.2
113.06005	3.4
115.05454	3.0
117.07024	18.3
119.05007	2.1
119.08593	53.1
120.08889	2.5
121.06544	7.2
121.10151	28.3
123.08096	7.3
123.11743	5.2
124.22977	2.3
125.05972	2.2
125.09620	9.7
127.03928	3.7
128.06215	2.0
129.07011	19.6
130.07808	2.0
131.08582	36.3
133.06483	5.6
133.10146	38.8
135.08052	7.4
135.11671	13.0
137.09624	5.5
141.06938	3.1
142.07788	4.3
142.63124	1.9
143.08568	6.2
145.10132	21.5
147.08067	5.2
147.11687	27.6
149.09624	22.1
149.13254	8.3
155.08575	5.0
157.10141	22.7
159.11713	13.3
161.09581	4.1
161.13249	4.0
163.11154	12.1
163.85735	1.8
165.06958	2.2
165.12755	5.5
169.10181	3.2
171.11690	4.2
173.04506	2.9
173.11838	2.3
173.13287	5.9
175.11250	15.2
177.12695	5.0
179.14320	2.6
181.12131	1.8
183.11690	3.4
185.13303	2.3
189.11269	4.5
193.12271	49.8
197.13309	2.2
199.30035	2.1
211.13304	74.2
217.72238	2.4
219.44298	1.9
223.92784	1.9
227.12836	16.6
229.19417	3.4
239.18001	5.2
247.20538	2.9
255.15971	6.3
257.19025	9.3
267.15952	37.5
269.17493	16.0
275.20081	37.6
275.22861	3.4
285.16992	66.0
293.21228	4.3
299.20053	2.4
331.22577	4.1
349.23788	41.6
351.38651	2.2
413.21603	2.3
435.27759	2.8
439.26932	2.5
447.27255	7.4
461.29010	17.7
465.28564	13.2
479.30020	53.1
480.29974	3.4
485.14526	2.3
515.25592	2.5
519.33282	3.8
541.35413	23.2
559.36359	56.7
577.37360	4.7
599.31207	2.7
623.34338	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.9
55.05275	1.1
55.05518	20.0
57.03444	14.8
57.07064	3.3
57.52980	0.9
59.05002	2.6
61.02919	3.3
65.03938	2.9
66.79198	0.7
67.05511	66.6
69.03421	2.7
69.06730	1.0
69.07076	14.5
70.63626	1.2
70.63958	1.4
71.01357	2.5
71.05005	6.8
73.02916	1.5
74.76121	0.8
77.03930	1.1
79.05501	56.3
81.03427	27.4
81.07063	60.4
83.01349	2.2
83.04992	12.3
83.08630	10.0
85.02901	8.6
85.06543	4.6
87.04482	1.0
90.51958	0.7
91.03938	0.9
91.04898	1.2
91.05487	30.5
93.07051	60.0
93.17725	0.7
95.04986	11.2
95.08616	44.2
96.04521	0.8
97.02900	9.9
97.06542	11.2
97.10183	3.6
99.04475	2.7
99.08078	1.2
103.05470	0.9
105.04529	1.0
105.07040	18.2
107.04962	15.6
107.08602	30.7
109.02884	0.8
109.06525	8.3
109.10169	16.9
111.04450	23.6
111.08076	4.4
113.06006	2.0
115.05501	0.7
117.07027	15.6
119.07716	1.0
119.08585	21.2
121.06506	6.1
121.10157	26.0
123.04424	1.0
123.08073	7.2
123.11725	4.4
125.05999	6.7
125.09666	3.0
127.03862	1.0
127.07590	0.9
128.06293	1.1
129.06979	4.2
130.07794	2.2
131.04961	1.3
131.08588	16.0
133.10144	9.4
135.08066	2.4
135.10693	1.6
135.11705	22.3
137.09666	3.5
137.13252	1.3
139.07536	1.4
139.11148	0.8
143.08597	2.1
145.06500	1.5
145.10132	27.2
147.08089	3.0
147.11696	4.2
149.09625	3.1
149.13304	3.9
151.11166	1.2
153.12755	8.9
155.08597	2.8
157.10120	0.8
159.11774	3.9
161.09637	0.8
161.13300	4.5
163.11198	32.3
163.14859	1.9
165.09131	1.0
171.11694	1.6
173.09616	7.4
173.13297	4.3
175.14890	1.6
177.12752	1.5
181.12268	6.1
184.07339	1.2
185.13377	0.8
187.11330	1.1
187.14853	2.5
191.10670	6.4
195.13812	1.5
197.13350	1.1
205.12454	0.9
209.11742	10.3
211.13232	1.3
223.13316	18.2
227.12738	6.9
241.14360	23.5
243.21178	2.8
259.20609	2.0
261.17770	0.8
261.22186	8.9
265.14383	7.5
267.15967	2.2
283.15439	14.0
297.16983	2.0
299.23776	2.0
315.18051	42.5
317.24844	2.1
322.35043	0.8
333.24307	1.5
335.25824	90.7
336.26260	2.5
337.27734	0.9
362.27576	0.7
433.31149	1.9
451.32281	2.3
469.33234	2.2
525.35858	9.3
543.36884	64.9
544.37030	2.5
561.37854	1.0
575.39465	100.0
576.40015	4.3
610.45203	1.9
772.52496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
55.02015	0.8
55.05364	4.9
55.05667	5.2
57.03286	2.2
57.03605	2.5
57.06966	1.0
57.07212	0.9
58.25148	0.4
59.04898	0.5
59.05175	0.5
61.02765	7.7
61.03121	6.2
65.03796	1.1
65.04121	1.0
67.05331	13.4
67.05743	8.5
69.03254	3.9
69.03680	2.3
69.06889	5.7
69.07320	3.3
69.15910	2.6
69.16335	1.8
71.01228	0.7
71.01550	0.6
71.04827	1.3
71.08502	0.7
73.02734	4.6
73.03199	2.2
79.05304	9.2
79.05825	3.9
81.03217	2.3
81.03738	1.1
81.06861	12.8
81.07403	5.1
83.04785	1.3
83.08422	3.5
83.08979	1.4
85.02705	9.3
85.03280	3.1
85.06390	1.1
85.06838	0.6
91.03750	4.7
91.04382	1.1
91.05276	9.3
91.05914	2.9
93.06836	13.3
93.07504	4.0
95.04767	1.5
95.08392	13.1
95.09074	3.6
95.65785	0.5
97.02681	8.7
97.03387	2.4
97.06322	1.5
97.06937	1.0
97.09956	2.3
97.10629	1.1
99.04310	0.9
101.02172	1.9
105.06805	11.4
105.07594	2.5
107.04759	0.9
107.08364	8.5
107.09174	1.9
109.02683	1.2
109.06296	1.0
109.09929	5.6
109.10744	0.8
111.04304	0.6
111.07945	0.8
115.03727	0.8
115.05304	1.2
117.06785	6.2
117.07688	0.9
119.08348	11.0
119.09293	1.7
121.06273	0.7
121.09903	6.7
121.10836	1.1
123.07809	1.5
123.11446	1.8
125.09481	0.9
127.03698	2.0
128.05986	2.5
129.06749	7.7
129.07790	1.3
130.07591	0.7
131.08311	10.8
131.09381	1.5
133.09877	8.0
133.10945	1.2
135.11438	4.6
137.09439	0.6
137.13049	0.7
141.06728	3.4
142.07536	1.9
143.08304	10.3
144.09137	0.8
145.09863	9.3
145.11131	1.4
147.07916	0.5
147.11427	4.4
149.09430	0.6
149.12993	1.7
153.06805	1.0
154.07539	0.8
155.08281	9.1
155.09622	1.0
156.09102	1.1
157.09857	10.7
159.11421	7.5
161.12987	2.8
163.10957	0.9
163.14636	0.9
165.06767	1.3
167.08295	4.0
168.09096	1.3
169.09863	10.3
169.11391	0.7
170.10652	0.8
171.11429	9.2
173.09297	0.7
173.12987	4.9
175.14543	1.6
179.08305	1.7
179.10612	0.5
180.09074	1.1
181.09842	6.4
182.10672	1.0
183.11700	10.2
185.13235	6.6
187.14839	3.1
189.16171	1.0
193.10165	2.7
194.10732	0.5
195.11415	7.3
197.13266	9.0
199.11029	0.6
199.12939	0.7
199.14848	4.9
201.16095	1.8
205.09920	0.8
207.11446	2.6
208.12236	0.7
209.13277	5.3
211.14827	5.2
213.16452	2.6
215.17743	0.8
219.11482	1.3
221.12996	2.0
221.14941	0.5
223.14857	4.5
225.16455	2.9
227.17761	2.0
229.19304	0.6
233.13109	0.9
233.19003	0.6
235.14447	2.0
237.16348	2.5
239.17659	2.4
241.19551	0.9
247.14542	1.1
249.16191	1.0
251.17668	2.1
253.19522	1.0
255.17209	0.7
257.18863	0.7
261.21902	0.7
263.17728	0.8
265.19257	1.5
271.20313	0.7
277.19260	0.9
279.20975	0.9
283.20352	0.9
291.20938	0.7
295.20087	0.5
297.21899	0.7
305.22339	0.6
307.20267	0.7
309.22043	0.8
311.23483	1.0
315.17728	1.1
321.21933	1.2
323.23471	1.2
325.21515	0.7
335.23032	1.0
335.26038	1.2
336.25757	0.5
337.25067	1.5
341.24515	0.8
349.24991	0.9
351.22803	0.6
351.26602	1.6
363.22430	0.5
365.28391	0.7
433.30453	0.8
435.32581	0.6
447.32401	1.4
449.33600	0.6
459.31503	0.8
487.34045	1.0
499.39609	1.0
499.90146	0.5
501.35614	1.3
515.37994	1.1
517.40479	5.5
525.35229	1.2
527.37286	1.0
535.41278	2.9
539.37378	2.3
540.38153	0.9
541.38495	1.7
543.36859	1.3
553.40472	0.5
573.43176	0.7
575.39471	0.9
591.44153	8.0
607.43384	2.1
609.45184	100.0
610.45435	4.5
611.46887	1.3
621.45721	1.0
633.46033	0.7
651.46600	0.9
693.47870	0.7
717.47302	1.0
735.48779	1.2
753.49292	2.2
771.50641	23.1
772.50897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.5
55.05272	1.9
55.05515	25.3
57.03443	15.1
57.07055	2.0
58.06586	6.4
59.05005	3.3
61.02922	6.8
65.03934	2.3
67.05506	49.9
69.03443	8.5
69.06729	2.0
69.07076	18.8
69.17717	17.5
70.06593	3.8
71.04992	6.8
72.04509	3.1
73.02896	2.8
79.05501	45.4
79.76680	1.8
81.03420	26.2
81.06593	3.1
81.07063	60.3
83.01331	6.0
83.04993	17.6
83.08630	17.9
84.04502	2.1
84.08156	2.3
85.02895	6.7
86.06056	5.4
88.35846	1.8
91.03960	3.2
91.05489	41.1
93.07050	59.6
95.04961	12.6
95.08620	20.6
96.52279	1.8
97.02876	7.8
97.06537	14.4
97.10159	4.8
99.04465	3.0
99.81787	1.9
105.04498	2.0
105.07034	28.2
107.04963	14.5
107.08601	29.9
109.06533	11.8
109.10174	11.5
111.04430	4.9
111.08077	6.3
117.07039	16.5
118.40176	1.7
119.04942	1.9
119.08591	25.9
121.06503	4.8
121.10168	18.6
123.08083	11.8
123.11694	3.4
125.09608	3.7
127.03860	2.0
128.06198	1.7
129.07031	4.6
131.08578	15.2
133.10123	17.1
135.08046	6.8
135.11708	21.7
143.02975	1.8
145.10130	22.7
147.08015	2.5
147.11679	8.1
149.09653	8.6
149.13289	10.5
151.11172	2.2
153.12717	2.0
155.08562	2.3
157.10072	4.3
159.11699	12.0
163.11201	24.8
167.10747	1.8
173.04553	1.8
173.09633	3.1
175.11157	2.8
177.12715	2.6
181.12245	4.1
189.14526	1.7
191.10674	3.5
193.12201	3.4
195.13794	5.0
196.16934	2.3
198.14850	9.8
209.11751	5.0
211.13327	3.7
227.12831	8.7
229.14398	2.6
253.14206	3.1
255.15958	8.5
257.18939	3.3
267.15961	7.4
269.17477	25.9
272.18762	2.0
275.20068	14.4
283.15408	69.3
285.16971	5.2
291.19470	4.3
331.22726	2.1
335.25687	3.1
347.22308	2.4
349.23901	13.5
365.23224	3.9
367.24789	2.1
437.25058	4.0
455.38138	2.0
459.27206	4.0
463.26871	18.2
477.28519	100.0
478.29071	3.6
539.34106	2.4
548.39343	1.7
557.34711	23.9
575.35712	14.0
592.41925	2.5
597.27869	2.4
610.43109	13.0
618.78589	2.1
621.32800	2.5
645.38965	2.1
696.14264	2.0
728.45392	2.0
738.64386	2.2
772.49060	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	772.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	17.1
55.05275	3.4
55.05517	50.4
57.03440	22.7
57.07080	3.7
61.02932	5.1
63.59150	2.2
65.03967	3.8
67.05510	79.9
69.03432	17.5
69.07076	54.2
69.68797	14.1
71.01376	2.7
71.05003	8.2
77.03925	3.0
79.05495	82.9
81.03425	54.2
81.07062	87.9
83.01357	8.7
83.04981	27.3
83.08617	37.3
85.02906	22.3
85.06551	6.7
90.15804	2.3
91.05484	72.1
93.07048	90.6
93.07642	4.6
95.04975	38.4
95.08611	38.9
97.02901	17.3
97.06525	20.2
97.10172	24.1
98.21569	4.3
99.04440	3.5
99.08082	3.5
103.05505	3.2
105.07038	58.4
107.04969	17.5
107.08606	47.3
109.02915	3.2
109.06516	17.4
109.10159	25.2
111.04449	6.1
111.08092	11.7
111.83940	2.7
115.05447	3.2
117.07022	28.4
119.05014	2.6
119.08584	40.7
121.06512	9.7
121.10150	26.4
123.08087	15.6
123.11724	3.6
125.09628	17.2
127.03922	4.7
128.06177	3.2
129.07005	15.3
131.08577	31.9
133.06509	5.3
133.10127	24.5
135.08057	9.8
135.11703	24.4
137.09604	5.4
141.07030	2.9
142.07745	2.4
143.08572	8.1
145.10144	32.8
147.07051	2.1
147.08023	12.2
147.11693	18.7
149.09618	13.9
149.13297	9.4
151.11189	3.6
153.12782	4.9
155.08524	3.8
157.10155	18.5
159.11676	15.8
161.09651	4.2
161.13370	4.1
163.11182	30.6
163.14560	2.0
165.09235	2.7
171.11681	5.2
173.09650	6.1
173.13225	5.7
175.11226	9.8
177.12798	4.0
181.12222	4.2
183.11754	3.2
185.13289	4.0
189.11241	7.3
191.10683	3.9
193.12283	25.3
195.13832	4.5
204.14116	2.2
205.12321	4.6
209.11801	7.5
211.13274	35.0
219.13879	2.1
223.13339	15.6
227.12756	27.2
249.14937	4.7
252.37733	2.7
255.15930	6.4
257.18973	7.8
267.15973	26.7
269.17529	15.0
273.18451	17.0
275.20010	26.2
283.15414	79.3
285.13965	3.7
285.16998	36.8
291.19562	100.0
303.12369	2.4
309.20483	3.8
331.22266	2.3
346.49469	2.1
347.22226	4.3
349.23688	31.8
350.24030	2.4
365.23257	51.9
367.24847	2.4
406.92517	2.2
437.25449	3.6
453.24438	4.8
461.28671	4.2
463.27048	13.7
477.28510	62.4
517.31250	11.1
539.33881	5.4
548.39471	5.3
557.34857	72.3
558.35132	3.9
575.35815	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2132
Annotation	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
54.25723	0.1
55.01862	0.1
55.05505	0.2
57.03438	1.2
61.02929	0.2
63.02381	0.2
65.03969	0.1
68.99797	0.4
69.03440	0.4
71.04996	8.2
73.02910	0.2
75.04488	0.2
75.79995	0.1
77.03934	0.1
79.05506	0.1
81.03422	0.6
81.07039	0.1
83.04980	0.6
85.02908	12.1
87.04475	0.3
89.03917	2.5
91.05469	0.3
93.06997	0.1
95.04962	0.2
97.02901	1.5
98.20697	0.2
99.04436	0.2
103.05447	0.2
105.03401	0.3
105.07043	0.1
106.04141	0.2
107.04972	0.3
109.02892	0.8
111.00799	0.6
111.04441	0.4
117.03386	7.4
119.04945	0.2
121.02875	1.9
121.06490	0.1
127.03919	1.3
129.05476	2.1
129.06961	0.1
130.40700	0.1
133.02835	0.2
134.03648	0.4
135.04417	0.5
137.02342	0.5
137.05991	0.2
141.06950	0.1
145.02850	20.6
145.04831	0.5
146.03181	0.2
147.04410	0.7
147.06554	0.5
149.05983	2.8
150.05513	0.2
153.00610	0.2
153.01826	2.8
157.06487	0.3
161.05960	0.2
162.03130	0.1
163.03883	0.2
165.01840	1.6
168.06505	0.1
169.04482	0.1
169.06494	0.1
171.04436	0.2
175.03802	0.1
177.05475	39.9
178.05815	0.3
179.07039	0.1
181.06535	0.1
183.02945	0.6
185.05959	0.5
186.05527	0.4
189.05458	0.2
195.06535	1.9
197.06021	0.2
203.03311	0.1
203.07071	0.2
205.05035	0.1
213.05458	1.0
231.06525	0.7
241.04970	0.8
243.06592	0.2
258.05252	1.0
259.06024	0.4
259.09436	0.1
261.07620	0.3
269.04391	0.2
286.04755	0.3
287.05499	100.0
288.05829	1.8
299.05530	0.2
301.07062	0.4
303.08545	0.2
305.10153	0.2
321.09802	0.7
323.11215	0.3
329.42841	0.1
339.10754	2.5
395.07935	0.1
407.64212	0.1
413.08554	0.1
485.16467	0.4
607.14471	0.2
625.14880	0.4
728.32495	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	771.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05508	0.2
56.44655	0.1
57.03441	1.7
61.02926	0.5
63.02380	0.2
65.03953	0.1
67.05511	0.2
68.99821	0.4
69.03435	0.7
69.55125	0.8
71.05006	9.0
73.02921	0.1
75.04462	0.3
78.04716	0.1
81.03449	1.0
83.04985	0.6
85.02917	16.7
87.04469	0.4
89.03928	2.0
91.05486	0.4
95.05014	0.2
97.02902	2.7
99.04456	0.4
103.05474	0.2
105.03381	0.3
105.07040	0.2
107.04974	0.4
107.08606	0.1
109.02897	1.7
111.00804	0.6
111.04456	0.6
117.03397	6.5
117.07046	0.1
119.04969	0.2
121.02892	2.1
127.03947	1.6
129.04520	0.2
129.05501	2.4
133.02861	0.4
133.10117	0.1
134.03619	0.4
135.04427	0.3
137.02364	0.5
137.06018	0.5
141.07033	0.1
145.02869	18.2
145.04935	1.0
147.04451	0.8
147.06534	0.6
149.06001	2.2
150.05527	0.2
151.03979	0.1
153.01857	3.2
157.06497	0.3
161.06035	0.2
163.03955	0.3
165.01865	1.5
171.04500	0.2
177.05495	36.5
178.05844	0.3
179.07161	0.2
183.02963	0.7
185.05986	0.3
186.05490	0.4
189.05530	0.2
195.06564	2.0
197.06052	0.2
201.05508	0.2
203.06981	0.2
206.37100	0.1
213.05501	1.2
219.06483	0.1
231.06659	0.7
241.04968	0.7
243.06662	0.2
258.05267	0.8
259.06030	0.3
261.07455	0.2
286.04730	0.5
287.05533	100.0
288.05847	1.7
288.08890	0.2
299.05786	0.2
301.07132	1.2
321.09863	0.3
323.11395	0.2
329.06625	0.2
330.01202	0.1
339.10788	2.9
365.06335	0.2
381.44513	0.1
395.07819	0.2
424.52988	0.1
441.71118	0.1
485.16455	0.8
607.14722	0.2
625.15796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.7
57.03442	11.4
58.14712	3.0
67.05505	34.2
69.07080	8.9
70.06250	14.7
73.02931	3.7
77.30368	4.2
79.05498	22.5
81.03418	23.2
81.07063	25.9
83.04959	8.4
83.08611	11.0
85.02900	7.4
89.06027	3.5
91.05473	25.4
93.07042	24.6
95.04975	8.9
95.08617	23.4
105.07040	14.5
107.08615	13.9
109.10110	5.5
111.08077	4.5
117.07035	7.3
119.08593	10.8
121.10142	11.3
126.19859	3.3
129.07060	7.7
131.08575	10.4
133.10150	11.6
135.11710	8.6
145.10147	6.2
147.11699	9.1
157.10170	7.2
158.16705	3.1
175.11230	4.2
182.82607	3.5
193.12262	32.4
211.13287	52.7
243.21240	3.6
261.22156	12.0
267.15915	16.8
280.63861	3.2
285.16986	72.9
311.62228	3.6
335.25800	99.0
365.77939	3.2
456.88593	3.9
501.61435	3.2
527.37366	18.9
545.30505	6.4
545.38416	100.0
713.91003	3.9
770.50336	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	771.2121
Annotation	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03433	0.7
63.02390	0.3
63.57310	0.3
65.03954	2.5
67.05511	1.5
68.99821	0.3
69.03432	1.4
69.07071	0.4
70.06602	0.7
70.46279	0.3
71.04996	0.8
71.52366	0.3
79.05531	0.4
81.03416	0.9
81.07059	1.0
83.04995	0.4
85.02914	3.0
87.04446	0.4
89.03934	3.8
91.05486	1.4
93.03425	3.5
93.07063	0.7
95.04980	0.8
95.08619	0.6
97.02906	31.6
103.05455	0.4
105.07047	0.8
106.04181	0.4
107.04939	0.6
107.08627	0.6
107.80212	0.3
109.02872	0.5
109.06524	0.3
109.10161	0.4
109.90752	0.3
110.03651	0.5
111.04428	0.4
115.05482	0.5
117.03400	10.4
118.04164	0.4
119.04957	0.6
119.08580	0.4
121.02890	1.4
121.06505	0.3
121.10143	0.6
123.04465	0.5
124.05230	0.5
125.02355	0.7
125.06014	0.8
125.09638	0.5
127.03928	1.1
128.06244	0.7
129.07039	3.3
131.08597	0.3
133.10159	0.6
134.03629	0.7
135.04448	0.6
137.06042	0.7
139.03932	0.3
139.05399	0.4
141.06970	0.8
145.02864	29.6
147.04449	2.1
149.02374	4.4
149.06013	3.6
151.03912	1.0
153.01863	0.4
157.06525	4.2
161.09615	0.4
163.03894	0.5
167.03439	23.5
167.04884	1.3
168.00543	3.0
169.06516	1.3
171.11595	0.3
175.03929	0.6
177.05496	58.5
178.05806	0.7
179.07124	0.4
183.02943	0.3
184.05223	0.5
185.05980	1.7
186.01643	1.4
186.05544	0.7
187.07576	0.6
188.08331	1.2
189.05394	0.8
189.09152	4.3
199.07603	2.9
201.05521	0.4
201.09129	0.4
207.06516	1.5
212.04765	0.5
213.05478	1.2
215.07101	0.6
217.08621	3.7
227.07069	2.7
240.04187	1.0
241.04933	0.7
245.08162	7.8
254.05708	0.8
255.06560	0.8
258.05273	1.2
269.04480	1.2
273.07626	1.9
282.05197	1.0
285.04007	5.1
286.04755	58.1
287.05484	9.8
291.08661	17.3
292.09006	0.5
299.05716	0.3
300.06152	0.4
301.07104	100.0
302.07504	2.1
309.09674	2.0
315.08643	3.9
321.09491	0.4
339.10861	1.4
341.06696	0.3
365.09390	0.4
463.12445	1.9
477.13980	3.1
632.61566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65398	0.2
55.01881	0.2
55.05484	0.2
55.60026	0.2
56.60628	0.1
57.03445	1.2
58.59153	0.1
63.02380	0.4
68.99809	0.3
69.03424	0.4
69.07064	0.2
70.06619	0.2
71.04998	6.3
71.51627	0.3
73.02910	0.2
75.04469	0.1
78.04724	0.2
79.05494	0.2
79.61121	0.1
81.03438	0.7
81.07073	0.2
83.04980	0.6
85.02912	7.6
87.00845	0.2
87.04482	0.3
89.03917	3.7
89.04424	0.3
91.05489	0.5
93.07063	0.3
95.05000	0.3
95.08604	0.4
97.02903	0.8
99.04470	0.3
103.05501	0.2
105.07027	0.3
106.04160	0.2
107.04960	0.7
107.08594	0.4
109.02906	0.9
109.10172	0.4
111.00802	0.6
111.04449	0.5
113.02404	0.2
116.80781	0.1
117.03391	11.5
117.07066	0.2
119.04925	0.3
119.08605	0.2
121.02876	1.8
121.06474	0.3
127.03925	3.4
129.05492	1.4
129.07016	0.2
129.45050	0.2
131.04921	0.3
131.08607	0.2
133.02866	0.3
133.06572	0.2
133.10168	0.3
134.03613	0.8
135.04385	0.7
135.31563	0.1
137.02365	0.6
137.05977	0.6
141.06891	0.2
145.02856	28.7
146.03201	0.6
147.04439	1.2
147.06529	0.4
149.05994	3.7
151.03934	0.2
153.01834	2.7
157.06480	0.3
158.06075	0.1
161.06030	0.2
163.03897	0.4
165.01801	1.4
171.04350	0.3
175.03983	0.2
175.07605	0.2
175.66866	0.2
177.05481	49.6
178.05795	0.7
179.07196	0.1
180.27736	0.2
183.03020	0.7
185.05980	0.4
186.05525	0.7
187.07523	0.2
189.05507	0.3
191.07118	0.3
195.06468	0.9
195.59082	0.2
201.05496	0.2
205.05046	0.3
207.06552	0.4
213.05522	1.2
215.07063	0.2
217.08441	0.2
225.05359	0.2
231.06697	0.7
241.04913	0.9
243.06578	0.3
245.07909	0.1
258.05188	0.9
259.06003	0.4
259.09714	0.2
261.07571	1.0
269.04639	0.2
273.07809	0.2
285.07858	0.2
286.04706	1.5
287.05511	100.0
288.05878	2.1
291.08524	0.2
301.07040	2.2
303.08658	0.4
309.09686	0.4
321.09747	1.9
323.11423	0.4
339.10788	2.4
389.11670	0.2
508.10779	0.2
607.14447	0.3
638.58801	0.2
771.37573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.7
55.05518	25.2
57.03440	11.9
57.07075	3.1
61.02916	3.0
65.03931	4.0
67.05511	80.6
69.03423	8.0
69.06742	2.5
69.07077	31.5
69.78808	2.2
69.79092	11.1
71.05003	6.1
73.06521	2.5
79.05500	95.8
81.03436	15.3
81.06589	4.6
81.07066	78.8
83.05003	16.5
83.08633	12.5
85.02880	5.0
85.06535	6.4
91.04925	3.2
91.05492	83.9
93.07052	90.5
95.04976	23.8
95.08616	43.4
97.02900	4.3
97.06530	20.9
97.10172	9.5
99.04465	2.0
103.05475	2.8
105.04518	3.3
105.07041	67.5
107.04958	15.7
107.08605	37.9
109.06512	11.5
109.10162	13.2
111.08094	2.5
115.05447	2.6
117.07029	25.3
118.25684	2.0
118.26546	2.3
119.08585	40.2
121.06515	7.3
121.10161	14.5
123.08053	9.5
123.11753	2.7
125.09643	7.8
127.03957	2.7
128.06204	4.8
129.07018	16.6
131.08588	16.6
133.10164	28.8
135.08041	4.4
135.11708	11.9
137.09636	3.0
143.08571	11.9
145.10129	20.3
147.11708	38.8
149.09595	14.1
149.13237	6.8
151.11220	3.8
157.10139	5.5
159.11688	10.8
161.09590	5.9
161.13272	13.1
163.11195	12.6
171.11720	27.2
173.13263	6.2
177.12758	2.7
179.14316	3.3
183.11757	2.7
189.11226	3.5
189.12761	9.0
195.13843	2.9
207.13866	26.4
225.14961	2.5
227.12857	17.9
229.19560	2.6
239.17888	3.5
247.20486	3.0
253.14406	6.8
255.15919	5.1
257.19125	13.7
269.17432	11.6
275.20087	44.1
281.17508	86.1
283.15396	5.3
331.22540	6.4
336.35046	2.3
349.23810	28.6
377.23447	3.0
401.01352	2.4
435.27475	3.6
446.22235	2.6
451.26953	4.5
457.30280	2.2
459.30823	3.1
461.28943	25.4
475.30609	100.0
476.31375	2.5
479.27127	2.8
492.12869	2.5
515.33624	3.9
527.37042	4.2
537.35486	3.1
555.36957	74.8
556.37439	4.4
566.44183	2.6
573.36932	4.8
619.34265	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	13.9
55.71178	7.7
57.03421	8.0
67.05512	34.2
67.05823	6.6
69.07077	12.4
74.32655	5.3
79.05484	20.4
81.03428	29.2
81.07064	30.7
83.05005	10.7
83.08618	13.8
85.02908	9.3
91.05479	21.1
93.07036	26.5
95.04957	11.2
95.08606	13.0
98.21526	13.8
105.06994	21.1
107.08572	10.0
109.10136	13.9
111.08054	8.6
115.42187	5.7
119.08564	16.2
121.10143	10.8
129.07027	9.7
133.10117	6.8
135.11679	8.6
145.10123	7.3
147.11671	8.9
157.10152	10.1
163.11192	5.8
165.86110	5.5
168.03488	6.6
193.12219	22.1
209.11664	6.1
211.13281	84.1
247.20767	5.8
261.22171	12.3
267.15884	18.7
285.16989	100.0
313.27289	6.6
335.25839	91.6
527.37299	17.5
537.83081	5.9
545.38440	89.0
635.12585	6.0
770.49756	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.5
67.05499	0.7
70.01023	2.3
81.07091	1.0
97.49587	0.6
98.09717	1.3
109.94217	0.6
163.03905	12.1
196.07462	0.7
206.32635	0.6
229.55254	0.6
298.90964	0.6
401.17953	1.0
403.19232	0.6
413.17850	0.6
415.19809	1.2
416.20261	1.4
417.20877	2.3
419.22675	0.8
428.20068	0.8
431.18829	2.6
433.24130	2.7
443.19040	2.0
444.19617	2.5
445.19614	5.0
446.21353	1.7
457.20053	1.4
459.21710	12.0
460.22507	5.7
461.23441	6.2
470.21094	1.2
471.21973	0.8
472.22571	1.6
473.23422	3.5
484.22882	0.9
505.22519	0.9
519.23987	1.0
531.23303	0.9
532.25165	0.8
547.27173	15.3
559.27295	2.0
575.26788	0.7
577.19647	1.1
579.23450	0.7
593.22150	2.6
595.27075	0.9
607.30518	6.4
608.24268	1.6
609.24963	1.5
619.29028	0.7
621.25269	1.2
622.25897	2.5
623.26630	5.2
635.26569	1.0
649.28882	0.8
667.25635	2.1
709.30194	26.4
737.30420	0.8
769.32343	100.0
770.32605	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	770.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.9
55.05513	21.1
57.03442	8.3
57.07074	1.2
58.17741	0.9
58.33545	0.7
59.05007	2.1
61.02927	1.9
63.99815	0.8
65.03922	1.3
67.05509	27.7
69.03435	7.8
69.07075	20.9
71.01344	0.8
71.04988	3.9
71.52393	1.0
72.08119	1.2
73.02914	1.1
79.05496	27.3
81.03426	11.9
81.06595	1.4
81.07060	23.7
83.01371	4.1
83.04976	9.7
83.08156	1.1
83.08620	13.7
85.02919	5.3
85.06522	2.1
86.09730	0.9
91.05483	20.4
93.07042	24.1
95.04964	9.4
95.08615	12.5
97.02902	10.4
97.06539	5.8
97.10178	9.6
99.04432	2.1
100.07626	1.7
105.04501	1.4
105.06390	1.4
105.07037	14.4
106.42886	0.8
107.04964	9.7
107.08600	14.4
109.02869	1.1
109.06525	7.6
109.10167	7.0
111.04444	2.0
111.08110	1.8
115.05502	1.3
117.07019	8.5
119.07797	1.5
119.08580	13.8
121.06508	4.5
121.10160	8.0
123.08095	8.6
125.05976	1.0
125.09639	8.1
128.06248	1.0
129.07002	3.6
130.07764	2.2
131.08569	6.6
133.06496	3.4
133.10121	4.9
135.08072	4.1
135.11687	8.5
137.09590	2.3
143.08604	2.3
145.10133	14.6
146.08115	2.6
147.08054	5.6
147.11682	2.8
149.09569	1.8
149.13252	1.6
153.12720	2.1
155.08528	1.5
156.80635	0.9
157.10100	1.6
159.07988	1.0
159.11737	2.7
159.29462	0.9
161.09610	2.5
161.13217	0.9
162.10402	0.8
163.11205	12.9
168.26085	0.9
171.11658	2.0
173.09747	1.9
174.33963	0.8
175.11153	1.9
181.12267	2.2
185.13231	1.2
189.11214	1.8
191.10707	2.5
205.12338	1.7
209.11716	4.3
220.64232	0.8
222.50485	0.9
223.13306	15.3
223.15424	1.0
227.12788	7.1
239.67700	0.8
249.14845	2.4
253.14308	1.5
255.17334	1.2
267.15875	1.3
273.18521	12.3
281.17407	1.2
283.15399	67.4
284.15698	1.0
290.16772	0.9
291.19562	91.8
335.64401	0.8
347.22372	1.6
365.23251	45.8
397.21173	0.9
448.33099	0.8
453.24771	1.1
464.01401	1.0
493.27942	3.0
541.35498	1.8
555.33490	3.4
573.34253	100.0
574.34314	3.4
591.35712	1.5
608.43634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.6
57.03445	11.1
57.07080	32.3
67.05511	17.0
69.03433	1.6
69.07088	8.4
70.10349	1.3
71.04971	1.9
71.08635	23.2
79.05499	8.2
81.03424	68.3
81.07066	21.6
83.04976	2.8
83.08620	19.9
85.02878	2.6
85.06512	1.5
85.10193	14.9
89.06023	1.9
91.05090	1.1
91.05495	11.6
93.07036	7.5
93.24442	1.3
95.01331	1.7
95.04980	16.3
95.08607	21.0
97.02864	3.3
97.06544	2.2
97.10180	6.3
99.11786	1.4
103.07588	1.5
105.07043	9.7
107.04952	5.2
107.08596	3.7
109.06501	2.3
109.10152	11.0
111.04451	1.4
111.08086	3.7
117.06980	1.4
117.51497	1.3
119.08619	7.4
121.06502	2.6
121.10143	5.3
123.04430	2.7
123.11703	3.9
129.07005	6.5
131.08536	6.3
133.06487	2.1
133.10100	5.9
141.01817	1.5
145.10117	1.7
146.08051	1.9
147.07967	2.1
147.11684	5.8
149.09610	4.0
157.10118	8.0
163.11162	2.6
165.12741	1.4
175.11189	9.3
189.09158	1.6
193.12263	28.0
211.13309	2.4
229.79428	1.6
235.13245	4.2
239.23708	2.3
252.11031	1.3
257.24829	2.2
267.15933	97.7
268.16312	3.1
271.13239	1.3
285.16891	1.5
289.14270	2.5
309.17062	3.0
313.27377	100.0
314.27554	3.0
324.79956	1.5
333.13364	2.3
351.14163	1.7
407.17249	1.8
415.26929	2.1
443.19272	3.6
465.26892	1.4
505.38925	77.8
506.39215	6.9
547.39508	3.8
601.40283	2.0
627.38965	2.0
663.41089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.8
57.03418	9.2
67.05494	24.7
69.07057	5.4
70.80067	3.6
71.08625	5.3
71.16483	8.7
74.19144	3.6
79.05481	19.7
81.03409	9.6
81.07055	23.3
83.08616	8.4
89.06019	5.1
91.05459	14.2
93.07057	24.5
95.08602	19.0
97.10136	5.9
105.07001	6.2
107.08576	12.8
109.10135	12.7
117.07018	5.2
119.08584	6.5
121.10133	10.8
125.09606	6.2
130.41008	4.0
130.42082	3.4
131.08548	7.5
135.11681	11.6
145.10074	7.7
148.16803	3.7
161.13226	5.0
163.11139	13.1
181.12137	4.6
209.11821	6.4
214.52431	4.0
227.12701	9.5
243.20998	5.5
261.22113	15.7
283.15411	100.0
313.27396	5.9
317.24600	4.2
335.22052	6.5
335.25800	76.4
543.36810	60.5
768.48242	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	768.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05518	4.4
57.03431	3.8
67.05193	0.9
67.05514	15.0
69.07072	3.2
70.96200	1.9
73.29139	0.7
79.05503	12.3
81.03413	1.3
81.07068	18.0
83.04967	2.1
83.08618	4.2
83.28850	0.8
85.06564	0.9
85.45485	0.8
91.05492	5.3
93.07053	18.7
95.04967	1.5
95.08619	17.7
97.02882	1.8
97.06515	1.5
97.10212	1.1
99.04433	1.0
101.33474	0.9
105.07026	4.8
107.04967	1.0
107.08600	12.8
109.10168	5.6
117.07059	4.0
119.08571	4.6
121.06511	2.4
121.10151	9.5
123.11712	1.7
125.05970	0.9
131.08572	2.2
133.10138	2.9
135.11700	20.2
139.07533	0.9
145.10135	10.4
147.08051	0.9
147.11694	2.3
149.13327	1.7
161.13322	0.9
163.11201	23.0
173.13248	1.0
175.91978	0.8
181.12239	3.3
209.11749	1.9
217.87373	0.8
225.04407	0.8
225.52971	0.8
227.12794	44.2
243.21118	2.3
261.22141	8.2
283.15421	71.9
284.15909	1.1
317.24713	2.3
335.25824	100.0
336.26031	2.2
361.08112	0.9
486.45871	0.8
520.35510	0.9
543.36859	83.3
544.37122	2.8
768.48505	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	769.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
57.07060	0.3
62.31308	0.2
67.05515	0.4
70.75632	0.4
70.75935	0.3
79.05499	0.4
81.07054	0.3
83.47197	0.2
91.05507	0.7
93.07037	0.3
95.90336	0.2
106.30330	0.2
120.08105	0.3
139.04013	0.3
163.03918	10.1
177.05600	0.2
207.09305	0.3
209.10724	0.4
221.10803	0.5
222.11702	0.3
223.12329	0.4
224.13127	0.3
225.13962	0.4
233.10652	0.3
234.11597	0.4
237.10318	0.3
237.13748	0.4
249.14034	0.4
314.12967	0.2
340.11523	0.3
369.12244	0.4
387.16232	0.4
389.17603	0.4
401.18036	0.7
402.18695	0.3
403.19189	1.2
404.20581	0.3
405.21304	0.3
411.16849	0.3
415.19354	0.8
416.20352	0.7
417.21359	1.6
418.21686	1.1
419.22626	0.8
427.19641	0.7
429.17319	1.0
429.21869	0.5
430.17145	1.2
431.17841	2.4
432.18796	0.5
432.23904	0.4
433.24103	2.7
443.18048	1.2
444.18768	1.5
445.19885	4.7
446.21124	1.0
447.21991	1.0
457.19724	1.2
458.21246	0.8
459.21753	8.8
460.22522	3.7
461.23535	4.3
469.20340	0.8
470.21246	1.0
471.21408	1.3
472.22705	1.0
473.23682	2.8
474.24121	0.4
480.70654	0.3
483.21970	0.4
485.23694	0.5
486.24500	0.4
487.25186	0.8
491.25119	0.4
505.21893	0.3
517.22821	0.3
519.23431	1.2
521.25629	0.4
531.24316	0.7
532.24664	0.6
533.25256	0.5
547.27124	12.4
551.20837	0.4
559.27051	1.5
563.20416	0.3
565.22046	0.7
575.27118	0.4
577.19122	0.5
578.19757	0.4
579.21832	0.4
591.19690	0.5
593.21533	1.9
595.27393	0.4
607.22217	1.1
607.29279	3.3
608.23694	1.8
609.24554	1.3
619.29333	0.9
621.24878	1.4
622.25861	2.1
623.26593	3.1
635.26538	0.4
649.27435	0.5
653.24371	0.3
667.25494	2.7
677.27191	0.4
681.27515	0.8
695.28302	0.4
709.30273	10.7
710.31000	0.6
737.29755	0.4
769.32355	100.0
770.32690	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	765.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05271	2.8
55.05517	33.6
57.03430	8.0
57.07079	2.5
65.03933	8.2
66.16759	2.1
67.05511	98.0
69.03423	4.5
69.07070	21.4
71.05000	4.4
71.08651	3.9
73.02924	2.8
74.98503	2.3
79.05502	84.9
81.03416	12.8
81.06593	4.3
81.07063	82.3
83.04982	6.0
83.08604	11.5
85.10147	4.9
89.06041	5.4
90.06341	2.7
91.05485	55.3
93.06489	4.8
93.07056	80.4
95.04987	12.1
95.08616	70.1
97.06527	7.9
97.10174	7.1
105.04516	4.9
105.07036	40.5
107.04942	2.6
107.08609	40.1
109.06499	5.9
109.10154	29.7
111.08080	4.3
115.05439	6.2
117.07026	14.2
119.08571	22.0
121.10157	36.9
123.04468	3.3
123.08101	6.3
123.11706	7.9
129.07021	7.0
131.04935	5.3
131.08580	21.9
133.06554	2.8
133.10153	18.1
133.87410	2.7
135.11703	20.8
141.07001	4.0
143.08609	2.8
145.06448	3.9
145.10124	11.6
147.04425	3.2
147.11682	14.0
148.05188	3.0
149.09587	6.0
149.13246	9.8
151.11041	2.6
153.06967	8.4
155.08609	5.9
157.06493	5.6
159.04443	4.8
159.11714	10.8
160.05194	5.4
161.06018	21.4
161.13304	8.9
162.06781	5.9
163.11273	2.7
165.07018	7.2
167.08585	4.8
168.05806	2.7
169.06477	8.5
172.05171	4.0
173.05997	21.7
173.13272	6.0
174.06783	6.8
175.03891	3.9
175.11197	4.5
175.14774	4.4
181.06537	15.1
183.08035	5.5
185.05968	13.0
186.06778	5.0
187.07579	8.9
187.14784	2.5
189.05470	5.4
193.06470	3.8
195.08080	9.9
197.05986	10.7
199.07553	25.9
201.05397	5.1
201.09106	5.7
203.03358	3.5
207.08026	5.9
209.06010	6.4
209.09462	2.4
210.06763	5.8
211.07574	31.2
213.05489	10.3
213.09109	16.8
215.07077	3.1
217.04936	4.0
219.08009	3.1
223.07480	11.7
225.05519	6.0
225.09140	5.6
227.07007	8.7
229.04922	7.8
231.02934	8.2
233.04410	3.6
235.07516	3.8
237.05408	5.7
237.09062	10.3
239.07025	7.2
239.10669	3.0
241.04922	8.7
243.06461	3.4
243.21007	5.4
245.04549	5.4
250.10164	3.0
251.07214	4.2
253.05013	5.5
255.06508	7.7
256.14624	28.4
257.04465	10.3
259.06033	4.6
261.22144	25.0
266.13095	8.7
267.06467	6.9
271.06036	9.4
279.06519	5.8
283.06058	36.9
284.14139	26.2
297.07672	6.0
302.15149	9.8
303.13791	5.5
317.24673	5.5
321.14880	11.3
323.16287	4.4
325.13925	3.9
331.13257	4.4
335.25824	100.0
339.16006	11.4
349.14447	13.9
351.12057	5.5
353.13797	5.0
359.12646	5.7
367.15405	23.6
369.13361	9.3
377.13760	27.7
385.16299	6.6
387.14563	4.0
395.14935	29.0
413.15939	14.5
431.16858	3.3
441.19247	4.1
451.17441	3.3
469.18707	15.2
487.19739	69.8
527.38080	2.8
655.36719	4.8
729.39612	6.8
747.29639	3.2
747.41187	39.1
765.30060	3.9
765.43176	65.0
766.43433	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	763.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01878	0.7
55.05510	2.1
57.03431	2.1
57.07092	0.8
60.19300	0.5
61.02933	6.0
67.05509	5.9
69.03430	3.7
69.07082	1.9
70.77181	1.3
71.05015	0.7
73.02926	5.0
79.05501	4.1
81.03423	3.4
81.07062	7.8
83.05000	1.0
83.08620	1.1
84.68736	0.6
84.77062	0.5
85.02924	6.1
91.03976	4.5
91.05495	3.1
93.07053	5.4
95.04994	1.2
95.08615	5.0
97.02901	4.5
97.06551	0.8
99.04458	1.2
101.02400	3.1
105.07047	2.5
107.08610	2.8
109.02876	1.4
109.10183	2.2
115.03983	0.6
117.07076	0.6
119.08627	2.3
121.10161	3.1
123.11742	0.6
127.03954	2.0
131.08618	1.1
133.10176	1.4
135.11726	2.2
145.10210	1.6
158.08685	0.6
159.11826	0.7
163.11241	1.5
173.13361	0.9
184.07414	0.5
185.04196	0.9
232.05356	0.7
243.08455	1.6
261.22061	0.8
267.11969	3.6
335.25848	1.3
441.17294	3.1
485.19705	3.5
519.29285	9.0
719.40063	2.4
745.41150	2.1
763.42371	100.0
764.42157	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	760.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.8
57.03441	3.6
57.07079	100.0
59.04719	3.0
59.05006	47.6
64.79356	1.8
67.05502	14.1
68.05860	2.9
69.07063	7.5
70.56814	4.0
71.04991	4.6
71.08252	4.8
71.08639	97.9
73.06571	2.1
77.54121	2.1
79.05461	6.0
80.05807	1.9
81.07062	18.5
82.07404	4.0
83.08612	6.9
85.06525	2.1
85.10189	93.0
87.04462	8.0
89.06045	39.0
91.05479	5.6
93.07024	5.5
94.07402	2.1
95.08600	7.0
97.10168	3.0
99.11744	14.3
101.09643	2.9
103.07620	2.4
103.61340	1.9
105.07044	3.6
107.08572	4.4
109.10169	3.6
117.09154	17.4
117.47354	2.0
119.08636	2.1
121.10146	2.1
133.08614	30.3
133.09567	2.8
133.10083	2.6
141.16393	13.7
147.11726	2.5
177.11209	13.5
199.20599	28.4
240.23193	3.1
257.24780	39.0
315.28876	3.2
336.26221	4.1
371.22971	9.2
406.46094	2.1
429.27045	2.8
503.37372	2.6
504.37317	4.2
505.37906	10.3
518.42169	1.8
561.41351	2.8
562.41278	4.0
563.42236	13.1
571.46851	2.8
669.74438	2.8
760.57806	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	760.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
57.03458	1.5
57.07077	100.0
57.36693	0.6
59.04710	1.5
59.05005	28.9
62.45311	0.7
67.05506	1.0
69.07074	2.2
69.74253	3.8
71.08634	70.5
73.02908	0.7
73.06561	1.0
75.82125	0.6
78.47052	0.7
81.07072	1.8
83.08634	2.5
85.10184	58.5
87.04471	6.9
88.94137	0.8
89.06031	44.3
91.05508	0.9
95.08619	0.9
97.10187	2.9
99.11727	11.5
99.12335	1.0
101.06017	1.5
101.09692	2.7
103.07594	0.9
113.13286	3.3
117.09128	10.8
119.39515	0.7
130.08687	2.0
131.07085	2.8
133.08606	38.8
155.17946	11.5
158.11900	0.9
161.11697	0.8
173.11821	0.8
173.13277	0.8
175.09712	2.5
177.11224	16.0
177.12668	0.8
184.07428	1.4
195.12183	0.8
207.67445	0.7
213.22133	19.4
219.12425	1.3
221.13942	3.1
254.24713	1.4
271.26337	17.9
283.17642	1.5
309.19086	1.4
327.20309	1.0
371.22803	1.1
415.25391	9.0
415.30389	1.0
416.96072	0.8
455.28754	1.3
473.29761	2.1
513.32147	0.9
571.36432	0.8
571.47101	0.8
743.55261	1.0
760.29956	1.1
760.43085	1.6
760.57843	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	762.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.03445	0.7
57.07079	53.3
59.05004	14.2
61.02926	0.6
67.05511	1.9
69.07064	1.6
70.37054	0.5
71.08635	52.7
71.52016	1.0
72.12862	0.5
73.02913	1.6
73.06583	4.1
79.05510	1.1
81.03421	1.1
81.07055	1.6
83.08626	2.2
85.06572	0.6
85.10187	47.1
86.10544	0.6
87.04472	18.5
89.06035	100.0
91.05471	1.3
91.07623	0.7
93.07047	1.3
95.04963	0.8
95.08590	1.1
97.10192	0.7
99.11741	3.5
103.07587	6.6
107.07096	2.2
109.10160	0.9
113.06040	0.7
117.09160	4.6
119.08599	1.1
129.09087	0.8
130.08667	3.5
130.40688	0.6
131.07034	6.8
131.10670	1.0
133.08609	74.8
135.10144	0.9
141.16373	3.5
141.17372	0.6
161.11777	1.9
175.09679	5.4
177.11232	31.5
199.20570	4.6
219.12299	2.2
221.13840	6.7
223.15402	0.7
227.63882	0.6
235.94904	0.6
239.14877	1.2
243.23196	5.8
263.15018	0.5
265.16528	2.4
267.15741	0.7
283.17477	2.3
309.19110	1.5
327.20160	1.4
328.37634	0.6
353.21710	1.7
371.22800	0.9
397.24329	1.1
441.26718	1.0
442.97000	0.7
459.27847	1.2
474.52023	0.6
503.30719	1.1
529.38202	0.8
547.33105	7.9
587.35986	1.1
631.37903	0.5
745.52441	1.6
762.41718	1.0
762.55927	7.9
763.41321	2.2
763.55200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01870	0.6
55.05510	1.6
57.03432	0.3
61.02920	0.7
66.09056	0.2
67.05517	0.5
68.99792	0.9
69.03438	3.5
71.01330	0.3
71.04987	0.7
71.51449	0.2
71.51920	0.5
73.02913	0.6
73.11214	0.3
78.59806	0.3
81.03430	4.2
81.07056	0.4
83.04984	1.1
83.08617	1.4
83.15407	0.3
85.02914	4.5
87.00838	1.0
91.05476	0.6
91.31609	0.3
93.07020	0.5
95.04984	1.9
95.08588	0.5
97.02892	2.7
97.06520	0.3
99.04475	1.8
105.01844	0.6
105.07020	0.5
107.08604	1.0
109.02886	7.7
109.06520	0.5
109.10165	1.2
111.04466	0.5
115.03981	0.3
119.08568	0.4
121.10129	0.5
123.11717	0.6
124.43365	0.3
125.09616	0.3
127.03925	100.0
128.04271	0.6
129.01865	0.8
129.05495	0.3
133.10124	1.1
135.08098	0.4
141.01865	1.3
145.04982	2.2
147.02887	0.5
149.13252	0.3
151.03967	0.3
151.11182	1.9
151.12230	0.3
153.09125	0.3
159.02870	0.8
167.14304	2.5
173.13329	0.5
189.05566	0.3
191.14365	1.2
209.15382	9.2
213.04027	1.1
231.03046	0.3
231.04950	1.5
235.06079	0.3
273.06088	1.1
339.07217	0.8
357.08221	1.5
375.09430	1.6
379.06546	0.3
393.11737	1.4
398.52475	0.3
501.12473	0.6
519.13525	2.2
585.32831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01863	0.5
55.05508	2.2
57.03447	2.7
57.03682	0.5
57.07067	0.5
61.02932	7.1
65.03915	0.5
67.05518	7.0
69.03433	4.6
69.07069	1.9
69.40111	0.9
69.40513	3.1
71.01357	1.1
71.04993	1.1
73.02917	4.6
79.05499	5.7
79.47404	0.5
81.03426	3.6
81.07058	7.5
83.04998	1.0
83.08626	1.3
85.02917	6.7
91.03952	4.1
91.05498	2.8
93.07043	6.1
95.04996	0.8
95.08620	4.8
97.02904	6.7
97.06566	0.5
97.10184	0.7
99.04459	1.3
101.02389	2.4
105.07060	2.0
107.08622	3.2
109.02891	1.3
109.06519	0.6
109.10125	2.5
115.03966	0.7
117.07024	1.1
119.08617	2.0
121.10155	2.7
123.11739	0.7
127.03941	1.5
127.90130	0.5
131.08620	1.2
133.10156	1.2
133.76178	0.5
135.11707	1.5
145.10159	1.0
147.11699	0.7
149.13278	1.1
161.13391	0.7
163.11232	1.3
173.06026	0.6
185.04211	0.9
188.47943	0.6
203.05298	0.5
209.11760	0.6
223.09459	0.5
232.86330	0.5
243.08514	1.8
261.22461	0.7
267.11960	3.0
276.40933	0.7
321.65613	0.5
335.25836	1.1
417.70743	0.5
441.17377	3.5
485.20050	3.9
519.29370	8.8
530.39160	0.7
695.34198	0.5
719.39838	1.9
745.21863	0.6
745.40723	0.8
760.80084	0.5
763.42371	100.0
764.42621	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	760.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
53.61242	2.0
55.01873	3.0
55.05517	15.8
57.03451	10.0
57.07061	5.6
57.84160	2.1
59.05006	25.7
60.27056	2.3
67.05509	16.8
68.99811	2.4
69.03423	9.9
69.07075	57.8
71.04987	9.3
71.51826	2.4
73.02934	2.4
79.05481	9.7
81.03434	16.3
81.07063	30.0
83.04958	5.8
83.08633	18.1
85.02916	23.6
85.06539	4.4
87.00829	8.6
87.04453	3.0
87.08113	2.6
89.06044	21.9
91.05470	5.1
93.07050	31.0
95.04971	8.0
95.08625	25.9
97.02895	9.3
97.06536	30.3
97.10170	5.2
99.04461	4.1
103.07578	4.4
105.01837	5.1
105.07046	2.6
107.08611	32.9
109.02890	19.7
109.10170	17.1
111.08059	8.7
111.11710	7.6
115.07580	2.4
117.09136	7.7
119.08616	5.4
121.06492	4.1
121.10133	7.6
123.11705	2.1
125.13277	2.1
127.03922	21.3
128.70901	1.9
133.08614	15.4
133.10124	4.3
135.11707	66.6
137.06056	2.4
139.11176	2.7
144.64070	2.1
145.04955	5.0
147.11710	3.0
149.05981	2.3
149.13274	4.2
151.07582	2.9
151.09685	5.7
153.11513	4.6
153.12762	75.8
157.12210	6.1
159.02884	7.7
159.11732	4.2
161.11925	2.7
167.07016	4.6
167.14362	3.4
171.13818	100.0
172.14075	2.0
185.15317	4.0
189.14841	2.9
191.12886	10.3
197.15401	11.2
209.13861	7.5
211.17038	3.4
215.16486	5.9
222.60365	2.1
229.17998	42.1
231.05049	2.5
247.18967	3.2
249.16968	5.6
267.18024	4.8
287.22202	30.6
301.07129	2.9
303.21649	5.0
354.83652	2.7
361.26035	2.5
421.34485	2.9
422.35110	2.4
459.31119	2.2
495.35376	26.6
553.23523	2.3
760.37762	2.2
760.45184	2.4
792.81018	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01866	4.7
55.05278	1.6
55.05519	26.4
57.03194	1.7
57.03443	21.6
57.07070	3.6
59.05006	1.2
61.02938	1.2
65.03943	3.2
67.05511	84.2
69.03423	4.2
69.07069	19.4
69.28860	6.5
69.29267	2.2
71.04995	5.2
77.90411	1.0
79.05499	51.6
81.03426	97.7
81.07062	73.9
83.04987	7.4
83.08626	26.8
85.02913	3.6
85.06538	2.5
91.05487	42.9
92.05785	1.3
92.45864	1.1
93.07051	62.3
95.04980	33.2
95.08616	54.1
97.02899	3.8
97.06528	4.7
97.10176	9.8
98.21453	2.1
99.08099	3.4
103.48183	1.0
105.04567	1.2
105.07037	34.0
107.04961	8.7
107.08601	33.3
109.06525	6.2
109.10168	27.9
111.04455	1.7
111.08101	8.0
113.09691	1.1
115.05460	1.3
117.07032	10.9
119.08591	30.7
121.06551	4.9
121.10151	31.4
123.04425	1.3
123.08069	4.3
123.11728	7.6
125.00008	1.3
125.09644	5.7
129.05489	1.2
129.07018	13.1
131.08574	23.9
133.06488	4.4
133.10150	19.7
135.08051	2.8
135.11697	17.7
137.05936	1.0
137.09622	3.3
137.13251	3.2
139.11201	2.0
142.07790	3.1
143.08553	3.5
145.10129	13.0
147.04416	1.2
147.08078	4.9
147.11697	18.7
149.09651	7.1
149.13309	9.0
155.08578	2.3
157.10143	14.3
159.11717	10.5
161.13286	6.4
163.11188	3.7
163.14828	3.8
165.12784	3.3
171.11693	2.3
173.12009	1.3
173.13271	7.6
175.11195	9.6
175.14847	2.7
183.11783	1.6
184.07338	3.7
185.13324	1.9
187.14807	3.2
189.11220	2.9
189.12794	1.0
193.12257	24.4
199.14822	1.4
201.16435	2.4
205.12221	1.2
227.12744	7.4
232.26738	1.2
243.21098	6.5
247.16971	1.0
249.14816	2.3
259.20737	1.9
261.22165	19.7
267.15942	100.0
268.16211	1.6
279.23300	1.1
285.21997	1.7
287.18506	1.3
301.25244	7.3
309.16986	2.7
317.24808	4.5
335.25824	89.7
336.26187	2.5
421.25412	1.9
435.27197	1.5
435.32571	4.6
453.33789	7.6
471.34808	5.8
509.36456	2.4
527.37366	67.7
528.37872	1.9
545.38403	60.9
546.38684	1.6
563.39301	6.7
569.38226	5.0
632.29730	1.2
635.39752	1.9
711.41803	1.2
760.42987	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	759.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71442	0.1
55.01881	0.2
57.03445	1.9
61.02934	2.9
68.99815	0.2
69.03089	0.2
69.03439	2.8
70.50697	0.2
71.01369	0.4
71.50805	0.2
73.02929	4.4
73.73416	0.1
74.85593	0.1
81.03423	0.3
82.71896	0.2
85.02917	4.6
87.04466	0.3
88.96709	0.1
91.03963	1.6
93.80361	0.1
95.04905	0.2
97.02905	3.5
99.04497	0.2
100.07648	0.2
105.77485	0.1
106.74412	0.1
109.02865	0.7
111.00800	0.6
115.03942	2.0
119.04942	0.2
121.02886	0.9
123.04437	0.3
126.32529	0.2
127.03942	1.5
133.04985	0.5
133.68240	0.2
137.02356	2.5
139.03967	0.2
145.02888	0.2
145.04961	1.2
147.04416	0.2
149.02362	0.4
153.01854	2.4
163.03940	0.6
163.06038	0.5
165.01865	1.6
173.05965	0.2
183.02979	0.9
193.44016	0.1
201.05525	1.0
215.03348	0.3
229.05011	3.4
247.05991	0.6
257.04495	2.4
274.04843	0.8
275.05542	0.2
285.03973	1.0
286.04785	0.3
301.07181	0.5
302.07315	0.3
303.05020	100.0
304.05344	1.4
315.05042	0.5
327.04980	0.2
327.78104	0.2
345.06186	0.8
369.06216	0.3
391.15704	0.2
399.07184	0.3
429.08313	0.2
447.09259	0.2
465.10345	19.0
466.10544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.1
55.01873	9.0
55.05516	30.6
57.03443	23.0
57.07062	4.2
57.09203	1.3
58.21529	1.4
59.05015	2.1
61.02921	6.0
62.50661	1.3
65.03933	4.6
67.05509	90.3
69.03419	4.8
69.07079	23.4
69.22091	11.9
71.01340	4.5
71.04993	6.1
73.02898	2.8
79.05500	68.6
79.05962	3.3
81.03424	24.9
81.07063	84.0
82.36367	1.4
83.01335	4.3
83.04980	21.3
83.08626	17.3
85.02912	10.5
85.06526	4.6
91.05482	44.5
93.07050	79.3
95.04977	18.4
95.08616	60.4
97.02895	13.7
97.06533	12.8
97.10165	6.1
99.04452	3.5
99.08076	2.6
103.05491	1.4
105.07040	35.0
107.04968	17.9
107.08604	54.4
109.02843	1.4
109.06543	7.1
109.10165	25.8
111.04454	14.2
111.08081	5.8
117.07021	21.8
119.08593	29.9
121.06513	4.5
121.10159	36.9
123.04435	1.5
123.08070	8.3
123.11705	9.2
125.06021	2.5
125.09635	4.1
129.06998	5.8
130.07777	3.5
131.08568	23.8
133.10132	20.1
135.08073	5.4
135.11700	31.3
137.09644	3.8
137.13301	2.1
139.07454	1.4
139.11183	2.2
141.07117	1.8
143.08586	4.9
145.06467	4.4
145.10129	32.8
146.08150	3.1
147.08051	4.4
147.11728	8.9
149.05914	1.7
149.09607	5.1
149.13269	9.3
151.11142	2.8
153.12746	10.9
155.08595	5.3
157.10107	4.2
159.11661	8.5
161.13255	6.8
163.11206	36.5
163.14870	4.2
169.10072	2.8
171.11652	2.7
173.09634	11.2
173.11906	1.6
173.13237	7.2
175.11240	1.5
175.14749	2.6
179.10617	1.6
181.12251	8.3
183.11719	1.8
184.07394	3.5
185.13205	1.6
187.14845	5.0
189.11113	1.8
191.10674	11.5
201.16307	1.6
209.11728	32.3
209.13589	2.1
227.12798	18.6
229.14165	2.0
241.19516	1.8
243.21065	6.1
253.14388	2.7
259.20563	2.5
261.22119	16.0
265.14240	2.2
267.15860	2.3
273.22119	3.3
283.15417	53.3
283.20236	2.0
299.20313	2.3
299.23611	2.8
301.16486	60.2
315.23267	3.8
317.24823	4.8
335.25809	100.0
336.26306	4.6
373.23648	1.6
395.02014	1.4
423.32639	1.7
433.30832	4.9
451.32025	9.1
463.58096	1.7
469.33273	7.4
487.34326	1.6
515.37170	2.2
525.35754	18.2
543.36841	96.3
544.37134	2.2
561.37878	56.5
691.53748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
53.28621	0.9
55.01873	1.6
55.05513	16.6
57.03445	8.4
57.07063	3.2
59.05005	2.0
61.02909	3.4
65.03949	2.3
67.05511	67.9
69.03444	1.5
69.06737	1.1
69.07072	13.0
69.52090	3.6
69.52498	3.1
69.92154	0.9
71.04997	22.1
71.08620	1.0
77.03979	1.2
79.05499	39.4
81.03408	2.1
81.07064	100.0
83.04960	4.4
83.08632	8.7
85.02902	3.3
85.06551	7.6
91.03961	1.5
91.05490	29.6
93.07053	39.5
95.04973	3.8
95.08615	29.0
97.02905	2.9
97.06541	6.2
97.10151	3.1
98.21486	1.7
99.04428	1.2
99.08080	1.5
105.04520	1.5
105.06383	1.7
105.07037	18.2
107.04939	1.6
107.08600	23.8
109.06518	2.8
109.10163	14.5
111.08064	2.6
117.07029	5.1
119.08589	9.7
121.09341	1.3
121.10149	16.3
123.08105	1.4
123.11726	14.5
131.08591	8.3
131.24217	1.0
133.10143	22.7
135.11707	11.1
139.04927	1.0
145.10115	5.9
147.11693	6.0
149.13300	8.5
151.11191	6.4
153.12778	1.4
159.11720	7.9
161.13280	3.3
169.12222	1.8
173.09789	1.0
173.13217	1.9
177.12721	1.5
183.13805	2.5
183.60208	1.1
184.07286	1.7
185.13361	1.4
187.13280	4.1
187.14880	1.9
227.16446	3.0
235.35843	0.9
246.67255	1.1
257.17471	2.3
261.22107	2.3
267.16119	1.3
269.17520	5.2
285.17053	2.2
301.20068	22.8
335.25842	23.0
337.27213	1.6
398.45319	1.1
437.34082	2.0
447.71448	1.2
485.36154	4.2
499.35434	1.2
503.37357	89.3
504.37369	3.1
517.38702	3.0
527.88531	1.3
529.38843	17.9
547.40094	2.5
561.41534	90.7
562.41541	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
53.08864	1.2
55.01871	8.4
55.05513	22.4
57.03440	16.6
57.07069	3.6
59.04995	2.0
61.02916	3.7
63.94079	1.0
65.03934	2.6
67.05506	69.9
69.03426	2.7
69.07070	17.9
69.47674	6.1
69.58918	0.9
71.01342	3.8
71.05003	5.1
73.02905	1.4
73.86008	1.0
75.21139	0.8
77.03950	1.2
79.05013	1.4
79.05493	54.4
81.03418	22.2
81.07056	68.8
83.01344	2.7
83.04985	16.5
83.08618	13.8
85.02910	11.2
85.06523	3.1
91.03952	1.8
91.05484	31.3
93.07045	63.2
95.04970	9.9
95.08607	45.6
95.09068	0.8
96.08881	0.9
97.02895	10.2
97.06516	9.4
97.10177	5.0
99.04433	2.1
99.08106	1.8
103.05492	1.0
105.07042	19.0
107.04960	15.4
107.08596	36.4
109.02858	2.2
109.06535	5.0
109.10162	23.1
111.04453	7.4
111.08070	3.7
111.11733	1.3
115.05408	1.2
117.07007	12.6
119.08583	22.1
121.06510	3.8
121.10147	35.6
123.04385	1.1
123.08066	5.9
123.11684	6.3
125.05968	2.3
125.09615	3.3
129.07007	3.6
130.07809	1.2
131.08566	16.0
133.10129	11.3
135.08058	4.8
135.11694	31.9
137.09634	4.5
137.13301	1.3
139.11182	3.7
143.08534	2.3
145.06511	1.4
145.09050	1.9
145.10123	23.6
147.08051	4.2
147.11687	5.6
149.09604	2.7
149.13260	6.8
151.11166	1.6
153.12740	16.2
155.08566	3.2
157.10136	1.9
159.11716	5.2
161.09561	1.1
161.13269	2.7
163.11174	35.5
163.14876	3.2
169.10132	1.5
171.11656	1.4
173.09666	6.0
173.12003	1.0
173.13264	5.9
181.12238	8.1
184.07401	2.1
185.11757	1.2
185.13284	1.5
187.14830	2.1
191.10704	9.0
193.12367	0.9
209.11734	25.7
227.12744	17.0
230.45808	0.9
243.21069	3.2
245.13907	5.5
259.20645	2.2
261.22141	14.7
265.14337	4.8
279.23212	1.4
283.15405	27.8
299.23630	2.1
301.16461	66.6
302.16364	1.5
317.24847	2.5
330.03500	1.1
333.24338	1.6
335.25797	100.0
336.26102	2.2
351.25461	1.0
433.30966	2.2
445.20453	1.3
451.32028	4.1
469.33289	4.9
487.34537	1.3
525.35828	10.9
543.36804	55.7
544.36218	1.2
561.37860	90.2
562.38245	3.1
621.42804	1.0
705.41681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01867	5.4
55.05272	1.6
55.05517	20.5
57.03444	15.3
57.07074	2.1
61.02923	5.3
65.03944	4.3
65.15005	1.0
67.05509	72.6
69.03438	3.7
69.07073	20.4
69.22403	10.4
71.04989	3.9
73.02937	1.6
74.13868	1.1
76.03068	1.3
79.05499	51.4
81.03424	6.0
81.07063	60.8
83.04987	14.8
83.08619	11.2
85.02916	7.9
85.06554	3.5
91.03957	2.7
91.05486	40.2
93.07053	63.7
94.15108	1.0
95.04975	12.8
95.08614	47.6
97.02902	7.3
97.06544	7.1
97.10169	4.6
99.04465	3.8
99.08107	2.0
103.05518	1.4
105.04530	1.8
105.07038	30.5
107.04964	10.7
107.08598	33.7
109.02903	2.0
109.06542	5.2
109.10167	22.0
111.04443	12.9
111.08081	6.5
113.06039	1.6
115.05450	1.3
117.07017	15.6
119.08601	23.4
121.06509	4.7
121.10152	25.5
123.04453	1.6
123.08078	3.3
123.11711	7.3
125.06000	2.1
125.09650	3.6
127.03918	1.4
128.06227	2.0
129.07013	6.8
130.07771	2.0
131.08565	22.4
133.06488	1.4
133.10146	20.5
135.08092	3.5
135.11708	23.3
137.09636	2.9
139.11150	2.3
141.07039	1.5
143.08585	5.4
145.06552	3.3
145.10123	24.4
147.08041	3.2
147.11707	11.6
149.09630	7.0
149.13252	6.1
151.11194	3.7
153.12827	1.3
155.08583	4.0
157.10112	6.5
159.08076	2.8
159.11682	9.8
161.09669	2.9
161.13269	7.6
163.11220	15.1
163.14851	2.8
169.10182	2.6
171.08047	1.5
171.11766	5.2
173.09630	6.7
173.11925	1.2
173.13290	6.5
175.11238	2.8
175.14856	2.9
177.16516	1.1
181.12276	2.5
183.11772	3.1
184.07428	1.2
185.13277	3.7
187.11169	1.3
187.14861	3.1
189.12708	1.7
191.10646	6.4
195.11713	1.5
197.13309	2.4
199.14853	2.6
201.12784	1.7
201.16432	1.2
209.11717	20.9
227.12793	4.9
227.16348	2.0
229.14371	2.6
241.19510	1.7
243.21304	2.8
253.14473	3.6
255.15987	3.8
259.20609	3.4
261.22122	9.2
267.15741	1.3
271.20432	1.8
273.22232	4.0
277.21930	2.4
279.19995	1.3
279.23041	2.1
283.15414	79.8
285.16992	3.3
289.21756	1.3
299.20139	2.3
301.16425	10.7
301.21588	2.3
313.21790	1.6
315.23239	3.4
317.21173	1.9
317.24704	3.6
321.24469	1.2
328.55057	1.2
333.24219	3.6
335.25839	64.1
336.26086	2.0
363.25455	1.5
368.09241	1.2
371.26114	1.4
373.23749	1.7
378.77054	1.2
389.26987	1.4
415.29959	2.0
423.32852	1.5
429.09583	1.2
433.31195	5.4
451.32126	14.4
469.33252	8.5
487.34409	5.3
489.33902	1.3
507.34473	2.5
515.37183	3.0
525.35864	20.9
543.36859	100.0
544.37231	3.1
561.37878	33.5
675.97168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.219
Annotation	Rhamnocitrin 3-apiosyl-(1->2)-glucoside-4'-glucoside
Peak:m/z	Relative Intensity
53.03923	0.4
55.01861	0.3
57.03442	2.0
59.04989	0.3
61.02930	1.5
68.99783	0.2
69.03435	6.8
69.91135	0.3
69.91527	0.3
71.01329	0.4
71.04970	0.6
73.02922	1.1
79.70239	0.1
81.02998	0.1
81.03423	2.0
83.01280	0.2
85.02911	14.4
87.04026	0.1
87.04474	2.0
91.03944	0.5
97.02899	4.9
98.21487	0.3
99.04458	1.0
101.02361	0.3
103.03917	0.4
109.02879	1.7
111.51367	0.1
115.03931	2.0
118.04220	0.1
127.03931	4.1
129.05492	0.1
130.36955	0.1
133.04990	1.2
145.04968	1.1
168.00551	1.3
183.56158	0.1
183.81232	0.1
186.01556	0.6
229.05060	0.1
240.04381	0.2
241.04988	0.3
245.08386	0.2
255.06538	0.3
257.04596	0.3
258.05280	0.9
266.05774	0.2
268.03546	0.2
269.04495	0.6
270.05200	0.2
271.05963	0.5
273.07541	0.4
283.06052	0.3
284.03287	0.1
285.03931	2.3
286.04730	38.3
287.05246	1.0
299.05548	2.0
300.06219	0.2
301.07074	100.0
302.07462	1.7
303.05045	0.5
310.04752	0.6
311.05588	0.2
324.06509	0.2
325.06915	0.6
329.06555	0.3
339.08542	0.2
343.08139	3.5
355.08170	0.3
367.07993	0.8
447.54730	0.1
449.10867	0.1
463.12375	30.6
464.12631	0.7
569.29358	0.2
625.17609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2187
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03949	0.3
54.53527	0.2
55.01879	0.3
55.05499	0.7
57.03442	3.3
59.04989	0.3
61.02933	1.5
68.99811	0.2
69.03101	0.5
69.03436	5.5
69.19878	2.4
71.01349	0.6
71.05000	11.5
73.02918	2.5
75.04480	0.5
77.22639	0.3
81.03407	0.6
83.04986	2.2
85.02912	17.3
87.04478	1.7
91.03955	1.0
91.05481	0.5
92.02634	0.3
93.03416	0.5
95.04956	0.3
97.02900	5.7
98.20665	0.4
99.04467	0.4
100.13921	0.3
103.03941	0.4
103.13966	0.3
109.02863	0.4
111.04450	1.3
113.06037	0.4
115.03180	0.3
115.03938	4.0
117.05503	0.4
119.04942	0.4
121.02859	0.7
127.03914	1.8
129.05489	4.4
133.04953	2.2
139.03867	0.8
145.04961	1.1
147.04437	0.9
147.06525	2.2
151.03899	0.8
153.00606	0.3
153.01833	5.3
157.04951	0.3
163.06052	0.8
165.01993	0.3
168.00554	2.0
169.05025	0.3
177.05441	0.5
177.40013	0.2
183.02940	0.3
186.01599	0.5
187.06044	0.4
201.05551	0.5
217.04886	0.6
218.05746	0.4
225.07521	1.5
228.04199	0.7
229.05028	2.4
240.04222	0.5
243.08696	0.4
245.04581	0.6
246.05264	0.9
255.06418	0.4
257.04486	2.3
258.05313	0.9
259.08014	0.3
260.03217	0.5
261.07440	0.3
268.03674	0.5
269.04440	0.5
273.03915	0.7
274.04761	3.3
279.10751	0.3
285.03940	7.1
286.04736	43.9
287.05417	2.3
301.07080	96.1
302.04230	10.2
302.07419	2.2
303.04993	2.1
304.59192	0.3
317.06577	100.0
318.06912	1.5
329.06601	0.6
356.36664	0.3
359.07724	0.6
383.07867	0.4
461.10767	0.3
463.12512	3.4
479.11884	1.3
597.86865	0.2
610.91235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.05503	0.7
57.03440	2.8
60.79344	0.3
61.02934	2.9
65.06901	0.3
69.03424	1.3
69.47440	1.7
71.01339	0.3
71.05001	15.6
73.02922	1.7
75.04488	1.4
77.03454	0.2
80.35967	0.3
81.03421	0.9
83.04996	3.6
85.02914	24.0
87.04464	0.8
91.03953	1.8
95.04971	0.5
97.02885	2.2
98.21066	0.9
99.04445	0.5
101.10674	0.3
107.04984	0.3
109.02900	0.6
111.00816	1.0
111.04459	2.2
121.02886	1.7
127.03931	3.3
129.05498	7.6
137.02356	1.3
143.07011	0.3
145.04956	1.9
147.04543	0.3
147.06541	4.8
151.03932	0.5
153.01828	2.9
163.06078	1.4
165.01868	1.6
183.02873	0.8
185.05894	0.4
201.05463	0.6
213.05458	0.9
229.04991	1.2
231.06519	0.5
239.09143	0.3
241.05006	0.8
255.08902	0.3
257.04391	0.7
258.05310	0.5
259.05984	0.4
260.87668	0.3
273.09583	0.5
287.05518	100.0
288.05853	1.9
299.05789	0.4
303.05017	32.6
304.05322	0.5
309.11920	0.4
321.17154	0.3
329.06525	0.6
353.06274	0.6
361.70874	0.3
449.10938	1.6
462.91724	0.3
465.10361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2195
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01875	0.4
55.05506	0.5
57.03448	3.0
59.04996	0.4
61.02938	1.7
69.03091	0.4
69.03442	5.1
69.21712	0.2
69.40192	2.2
71.01354	0.5
71.05004	10.4
73.02924	2.3
75.04485	0.6
77.22610	0.3
81.03409	0.5
83.04992	2.2
85.02918	17.6
87.04482	1.9
91.03983	1.0
91.05436	0.3
92.02618	0.4
93.03387	0.7
94.13468	0.2
95.04987	0.6
97.02911	6.3
99.04449	0.3
109.02918	0.7
111.04449	1.2
115.03937	4.8
117.05516	0.3
118.04328	0.2
119.04961	0.4
121.02897	0.7
127.03943	1.1
129.05496	3.8
133.04970	2.3
133.75299	0.3
135.04446	0.3
137.06004	0.3
139.03923	0.8
140.01070	0.3
140.47212	0.3
145.04970	1.4
147.04399	0.7
147.06541	1.7
151.03970	0.8
153.01855	4.5
163.06078	1.0
165.01833	0.5
168.00577	1.2
169.01268	0.3
169.05005	0.4
176.96916	0.3
177.05556	0.5
186.01622	0.7
201.05524	0.5
207.06604	0.4
217.04942	0.3
218.05753	0.3
225.07613	1.5
228.04231	0.6
229.05025	1.7
240.04228	0.4
241.04845	0.3
241.07195	0.4
245.04431	0.8
246.05330	0.8
255.06306	0.3
256.03781	0.3
257.04483	2.1
258.05304	1.2
268.03613	0.4
273.04022	1.1
274.04764	2.9
284.03244	0.5
285.03995	5.9
286.04761	40.3
287.05521	2.2
301.07108	100.0
302.04288	10.2
302.07428	1.8
303.04968	1.7
317.06604	91.9
318.07050	2.0
359.07687	0.5
461.10950	0.4
463.12341	3.5
479.11905	1.8
667.24652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.2
55.01864	9.9
55.05516	37.6
57.03447	13.0
57.07064	5.3
59.04985	3.6
61.02906	3.5
61.72624	2.3
65.03912	3.4
66.64275	2.1
67.05181	4.0
67.05508	47.5
68.87107	2.6
69.03425	5.1
69.07077	18.1
69.23025	19.6
71.04980	6.9
71.08614	2.5
79.05075	4.1
79.05501	62.6
81.03426	14.2
81.06605	2.7
81.07062	53.0
81.68737	2.2
83.01339	7.2
83.04993	14.3
83.08630	19.3
85.02885	7.7
91.05487	70.1
93.07047	73.3
95.04963	11.9
95.08610	28.1
97.02873	3.7
97.06521	9.1
97.10168	10.1
98.20703	4.3
99.04427	3.0
105.07039	67.3
107.04977	13.5
107.08607	39.5
109.06506	10.0
109.10170	15.5
111.04465	2.3
111.08055	5.3
113.09604	2.8
115.05412	3.3
117.07005	27.9
119.08591	56.0
121.06547	4.3
121.10149	28.1
123.08073	9.9
125.09650	8.9
129.07033	13.5
131.08569	29.5
133.10130	42.3
135.08066	5.1
135.11710	23.9
141.06953	2.3
142.59740	2.1
143.08574	12.0
145.10138	32.4
147.11696	40.5
149.13220	10.8
153.12770	4.0
155.08554	4.2
157.10156	8.3
159.11708	21.4
161.13264	24.0
163.11179	24.9
169.10045	5.5
171.11671	16.6
173.09592	2.6
173.13271	9.1
175.14815	8.7
181.12161	3.8
183.11720	3.6
184.07330	4.0
185.13287	12.9
187.14838	2.4
189.11162	6.3
191.10878	2.3
197.13249	3.1
199.14827	10.0
205.63687	2.5
209.11705	5.1
227.12820	18.4
231.21066	6.5
241.19543	22.2
257.18942	6.5
259.20602	71.4
275.19989	4.0
283.15421	71.2
284.15518	2.7
285.16788	4.9
297.22098	8.3
315.23190	9.8
333.24292	55.4
367.22696	2.9
431.29327	4.4
449.30438	9.1
467.31378	6.1
485.32623	4.8
513.35699	2.9
523.34021	11.9
541.27094	5.1
541.35278	100.0
542.35474	4.0
559.36365	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	2.2
53.03918	2.2
55.01871	3.3
55.05516	17.1
55.05768	0.9
55.35360	0.4
56.34901	0.4
57.03441	10.8
57.07040	1.7
57.84992	0.4
59.04964	2.0
61.02925	3.3
65.03909	1.7
67.05511	37.2
68.05821	0.5
69.03434	2.5
69.07072	7.6
70.63654	1.0
70.64007	0.7
71.01316	1.5
71.04963	1.3
71.08605	0.7
73.02885	1.2
77.03869	1.0
79.05499	24.4
81.03431	3.6
81.07062	40.5
82.07375	0.6
83.04984	3.6
83.08625	11.9
85.02910	2.8
85.06514	1.7
89.55428	0.5
91.03924	1.5
91.05487	24.6
93.07051	34.3
95.04979	5.1
95.08612	26.4
97.02902	4.9
97.06545	3.8
97.10181	2.4
99.00822	16.7
99.04466	0.7
99.08068	0.7
103.05473	1.2
105.04524	0.9
105.07043	17.7
107.04962	5.0
107.08601	17.1
109.02880	9.2
109.06528	3.3
109.10165	14.5
111.04451	1.0
111.08082	3.2
115.03936	2.8
115.05397	0.8
117.07023	4.7
119.08592	11.9
121.02851	0.6
121.06508	6.6
121.09361	0.7
121.10151	10.2
123.04403	1.4
123.08051	1.2
123.11707	6.7
125.09636	0.9
127.03903	2.2
128.06158	1.7
129.06989	1.4
131.08577	6.5
133.06439	0.7
133.10139	34.7
135.08022	1.6
135.11693	7.8
137.05939	1.4
137.09586	1.8
137.13254	1.1
139.07556	2.7
143.08580	4.9
145.06456	0.7
145.10130	4.3
147.08054	1.3
147.11726	3.5
149.13284	5.0
151.11191	9.2
157.10144	0.8
159.11714	4.1
161.08333	0.9
161.09642	15.7
161.13246	3.6
163.11223	1.4
163.14836	2.6
171.08058	2.9
173.13287	3.4
175.14774	0.9
177.16275	1.0
179.10707	8.0
184.07376	1.1
185.13145	0.8
187.14836	1.3
189.09126	8.0
189.10870	0.9
189.16284	0.6
197.11786	2.8
201.16324	0.9
207.10184	3.2
207.31453	0.5
213.16441	0.5
225.11229	13.4
227.12714	0.7
243.12309	3.2
243.21085	4.7
259.20520	1.0
261.22141	15.6
277.21750	0.9
279.23007	0.8
281.13931	3.1
283.15515	0.8
285.17053	0.6
299.14908	100.0
300.15237	1.3
315.23264	3.0
317.24817	3.6
335.25827	74.7
336.26141	1.4
421.30823	0.8
439.31985	0.8
449.30597	1.7
457.33487	0.7
467.31595	4.4
485.32510	2.7
503.33691	0.5
513.35883	2.7
515.37512	1.3
531.37036	2.2
541.35199	7.6
545.38300	0.9
559.36334	38.5
560.36493	1.1
568.23126	0.6
577.37366	2.5
788.28168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92614	0.5
52.93381	0.5
53.00315	3.2
53.03948	3.5
55.01870	3.9
55.05516	21.2
57.03444	13.1
57.07055	2.3
59.04978	1.5
61.02661	0.4
61.02929	4.1
65.03914	2.4
67.03706	0.5
67.05511	49.7
69.03406	2.4
69.06740	0.8
69.07073	10.7
70.46736	1.7
71.01326	1.1
71.04968	2.2
71.05323	0.6
71.08597	0.6
73.02894	1.8
77.03893	0.5
79.05499	35.0
81.03431	4.3
81.07063	52.0
83.05004	3.7
83.08160	1.0
83.08623	14.0
85.02910	4.1
85.06548	2.6
85.10168	0.5
91.03928	1.5
91.04914	1.2
91.05489	34.3
93.07052	45.3
95.04978	5.9
95.08617	34.3
96.08987	0.6
97.02901	5.1
97.06528	4.0
97.10187	2.6
98.02274	0.5
99.00826	15.2
99.04453	0.9
99.08064	1.6
103.05451	1.1
105.04498	1.3
105.07040	24.7
107.04974	4.7
107.08604	23.1
108.26278	0.6
109.02893	10.2
109.06506	3.6
109.10164	16.8
111.04430	1.5
111.08089	3.7
113.05933	0.7
115.03944	2.8
115.05466	0.7
117.07029	5.8
119.04890	0.6
119.08591	16.4
121.02853	0.9
121.06526	6.6
121.10152	16.3
123.04414	2.2
123.08103	2.5
123.11728	7.0
125.09612	1.2
127.03932	3.0
128.06215	1.7
129.06990	1.0
131.08571	8.7
133.06474	1.8
133.10143	37.4
135.08041	1.9
135.11699	10.2
137.05949	1.5
137.09593	1.9
137.13237	1.3
139.07556	3.6
143.08556	4.7
145.06508	1.1
145.10129	5.1
147.08034	1.7
147.11713	5.1
149.09604	1.5
149.13254	5.6
151.11203	10.2
153.12701	0.6
155.08498	0.5
157.10106	0.8
159.11697	4.8
161.08318	0.8
161.09639	15.9
161.13287	4.1
163.11221	1.4
163.14815	3.6
165.09093	1.2
171.08035	3.8
171.11694	0.9
173.13272	4.4
175.14772	1.1
177.16403	1.2
179.10695	10.9
181.45885	0.5
184.07350	1.5
187.14801	2.4
189.09129	8.5
189.10858	0.9
197.11739	2.3
201.16466	1.2
207.10106	3.3
225.11243	12.4
227.12682	1.0
233.22575	0.6
243.12260	2.2
243.21103	5.3
261.22147	18.4
262.22583	0.6
277.21698	1.2
279.23230	1.0
281.13892	5.1
283.15472	0.8
291.23117	0.7
299.14914	90.8
300.15146	1.7
313.21368	0.6
315.23254	3.2
317.21658	0.5
317.24854	3.9
333.24170	0.8
335.25827	100.0
336.26248	2.6
449.30423	1.7
457.32687	0.9
467.31699	5.0
485.32681	2.3
513.35852	3.2
515.37152	1.2
523.34113	0.9
531.36707	1.5
541.35266	10.1
542.35132	0.7
559.36359	54.9
560.36780	1.1
577.37109	0.7
686.34509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01880	3.7
55.05276	1.0
55.05515	13.8
57.03443	8.9
59.31299	0.6
65.03896	0.6
65.26720	0.7
67.05511	17.6
68.43161	0.6
69.03438	3.3
69.07074	5.6
69.61809	4.1
71.04987	2.9
75.23305	0.6
77.66029	0.6
79.05501	19.4
81.03428	44.7
81.07070	18.4
83.04997	4.2
83.08147	1.1
83.08627	15.5
85.02895	0.8
85.06559	2.0
86.00293	0.6
91.05490	13.5
91.06034	1.3
93.06482	1.0
93.07048	13.2
95.04981	18.2
95.08618	9.6
97.02888	1.5
97.06522	2.7
97.10178	14.7
103.05492	0.9
105.07051	11.0
107.04971	13.1
107.08606	8.5
109.06532	9.0
109.10166	5.4
111.04434	1.3
111.08092	5.4
115.05450	1.2
116.52837	0.7
117.07024	4.3
119.04985	0.9
119.08594	11.5
121.06512	9.3
121.10148	7.8
121.48840	0.6
123.04445	1.2
123.08083	3.3
123.11692	1.2
125.05927	0.8
125.09637	14.2
127.03946	0.8
128.06227	0.9
129.07008	7.0
131.04987	1.5
131.08591	9.3
133.06499	4.4
133.10158	5.2
134.31509	0.6
135.08073	4.8
135.11707	1.8
137.05923	1.0
137.09663	1.0
141.07001	1.2
142.07809	2.0
143.08575	1.9
145.06497	4.8
145.10094	4.7
147.04434	2.1
147.08067	5.1
147.11697	5.7
149.09613	4.4
153.09134	3.3
155.08560	1.9
157.06485	2.3
157.10143	7.1
159.08052	1.3
159.11710	2.2
161.05930	1.0
161.09645	2.6
163.11227	2.9
165.12801	1.7
167.10666	0.8
169.10129	2.3
171.08099	2.1
171.10239	1.5
171.11757	2.1
173.09657	1.3
173.13298	1.8
175.07576	0.7
175.11189	5.9
177.12785	1.0
181.10229	0.9
185.09650	0.8
185.13235	0.6
187.11246	1.4
189.09711	0.9
189.11238	5.4
189.12801	2.6
191.14389	1.3
193.12265	16.1
195.11711	1.5
197.09637	1.3
197.13356	0.8
199.11220	2.2
199.13159	0.8
205.12263	1.6
211.11357	1.1
211.13332	1.8
213.12849	1.8
215.14363	2.1
217.12157	0.8
219.13910	2.4
223.11209	0.9
223.13181	1.3
225.12758	0.7
227.12611	1.5
227.14560	1.2
231.13622	0.8
233.15375	5.0
235.13327	1.0
237.12700	1.4
237.14857	0.8
241.14420	1.0
245.15373	1.0
249.14923	1.9
255.13771	2.1
257.15320	1.2
259.13269	1.0
266.46329	0.7
267.15958	35.0
273.14819	6.6
275.16501	1.0
293.17566	1.3
315.04950	2.2
316.05435	2.3
331.07895	0.8
339.23285	2.7
345.09790	4.8
346.10089	5.1
346.14474	0.7
349.21585	3.9
357.24182	2.0
367.22726	12.5
385.23770	20.0
397.21976	0.8
403.24911	7.2
441.26450	8.6
459.27463	100.0
460.27771	2.4
477.28522	97.0
478.28839	2.4
491.30142	13.5
501.28448	2.0
509.31213	5.4
541.33435	1.1
543.29639	0.8
545.44855	0.8
567.29846	1.8
577.57727	0.7
644.51440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.9
55.01875	3.2
55.05511	24.2
57.03436	10.9
59.05005	2.8
65.03928	5.2
67.05508	67.9
69.03416	4.2
69.07078	16.2
69.20175	21.9
71.05003	3.6
71.65613	2.5
79.05498	88.7
81.03436	8.8
81.07062	63.6
83.04984	14.9
83.08620	11.3
85.02889	3.1
85.06542	6.4
91.05486	100.0
93.07050	97.1
93.07644	5.1
95.01272	2.6
95.04977	16.9
95.08617	44.1
97.02879	4.3
97.05469	2.7
97.06544	7.3
97.10180	4.8
98.21552	4.3
99.08127	3.9
105.04536	3.3
105.07033	86.1
107.04963	7.0
107.08583	33.0
107.37149	2.6
109.06539	6.5
109.10168	10.9
111.08102	4.6
113.29790	3.1
115.05434	4.4
117.07024	26.4
119.08586	61.6
121.10152	22.6
123.08008	3.7
123.11736	2.8
128.06204	4.6
129.07007	23.5
131.08563	25.0
133.10149	43.4
135.11685	19.1
138.47133	2.6
143.08598	15.0
145.10121	32.3
147.08032	5.6
147.11699	64.4
149.13268	11.9
157.10126	7.8
159.11707	16.0
161.09587	3.7
161.13283	34.3
163.14825	3.3
171.11716	32.5
173.13234	13.2
175.14815	16.6
185.13330	10.9
189.12746	9.6
199.14818	4.6
207.13837	17.9
213.16348	2.8
231.21062	4.4
235.27565	2.6
241.19492	24.9
257.18979	3.3
259.20575	61.3
279.15845	18.0
281.17493	75.7
315.23264	8.8
333.20428	4.0
333.24283	55.0
335.25967	3.6
413.44040	2.6
429.31003	2.7
447.32562	7.8
465.33533	9.6
483.34515	5.8
521.35925	3.6
539.37329	89.1
540.37732	4.7
557.38586	32.6
647.38867	4.3
771.17065	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.31828	0.7
55.01871	1.1
55.05307	0.8
55.05515	7.4
57.03195	1.1
57.03443	13.9
57.07082	28.8
67.05510	14.9
67.13847	0.9
69.03416	1.4
69.06799	0.7
69.07077	7.8
69.19128	6.7
69.19540	1.1
71.05001	1.6
71.08636	24.5
79.05497	7.4
79.89572	0.7
81.03423	59.8
81.07063	18.4
81.65106	0.7
83.04961	3.0
83.08155	1.3
83.08622	19.2
85.02882	1.2
85.06509	1.0
85.09726	1.1
85.10191	13.3
87.04482	1.1
88.57526	0.7
89.06033	1.6
91.05483	10.6
93.07062	6.2
95.04973	20.5
95.08618	17.2
97.02876	2.3
97.06503	1.6
97.10167	3.4
98.20660	1.0
99.08091	1.4
102.32151	0.9
103.07565	1.0
105.07038	8.9
107.04946	3.3
107.08572	2.6
109.06516	1.6
109.10168	8.1
111.04447	1.6
111.08085	5.3
117.06960	1.4
119.08588	8.4
121.06511	2.8
121.10134	3.7
123.04397	1.1
123.08083	1.2
123.11732	3.7
125.13206	0.9
129.07013	5.8
131.08585	5.9
133.06496	1.5
133.10126	3.4
135.11688	0.8
137.09605	1.2
137.13237	0.9
142.07802	2.3
147.08003	3.7
147.11681	4.9
149.09657	4.1
157.10144	7.1
165.12744	1.9
175.11171	7.8
184.07378	0.8
193.12253	22.2
203.31303	0.8
211.13322	1.8
229.14288	0.8
239.23665	1.6
248.14189	0.8
249.14821	1.5
257.24686	1.8
259.13141	1.0
267.15927	100.0
268.16220	2.2
301.14282	1.1
309.16959	1.7
313.27374	97.4
314.27734	2.5
505.38928	81.2
506.38950	2.9
523.39691	1.2
547.39923	2.8
589.41998	1.1
601.40479	1.3
631.41833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01872	4.5
55.05277	1.8
55.05519	33.3
57.03445	16.7
57.07096	7.9
59.04999	1.8
61.02924	6.7
62.56160	1.5
63.62228	1.5
63.73589	1.6
65.03936	4.2
67.05511	100.0
69.03429	8.5
69.07072	25.8
70.20047	5.8
71.04984	5.1
71.08601	3.8
71.16235	1.5
73.72809	1.7
79.05503	62.5
81.03416	11.7
81.07065	84.4
83.04980	7.7
83.08631	13.8
85.02908	13.9
85.06546	2.5
86.09708	2.8
87.04465	2.4
91.03953	2.5
91.05493	43.0
93.07056	66.2
95.04990	23.8
95.08613	49.9
97.02895	6.7
97.06536	4.0
97.10181	21.2
99.04446	2.2
99.08142	1.8
103.05495	2.2
105.04525	3.0
105.07032	26.0
107.04953	8.6
107.08609	32.5
109.02910	2.8
109.06501	4.2
109.10167	32.1
111.08125	4.0
117.07032	20.3
119.08585	19.5
121.06525	5.0
121.10161	25.0
123.04444	2.5
123.08052	2.8
123.11705	5.2
125.09646	17.0
127.03902	1.6
129.07013	4.6
131.08582	18.2
133.10124	16.1
135.08029	5.2
135.11681	13.2
137.13271	2.1
139.11218	2.0
141.06927	1.6
143.08595	3.3
144.09253	1.7
145.10126	15.0
147.08122	2.2
147.11693	5.0
149.09584	1.9
149.13275	9.9
151.11214	1.8
157.10143	2.5
159.11671	14.2
161.09663	2.4
161.13235	4.2
163.11130	2.0
169.10112	3.8
171.10295	2.3
171.11679	3.0
173.11829	2.8
173.13274	4.4
177.12759	5.7
184.07317	6.8
187.11208	3.8
187.14836	3.9
189.11238	8.3
205.12201	5.3
223.13298	50.4
223.16762	2.0
227.12798	10.8
229.14281	13.0
241.19568	2.1
243.21150	2.3
261.22147	18.7
279.15952	3.8
283.15564	1.8
297.16995	80.5
301.16592	5.3
313.27469	11.9
315.23819	2.1
317.24771	2.9
335.25815	99.1
336.26010	3.4
403.27731	1.8
455.37003	2.9
465.33389	3.0
489.35724	13.6
503.59207	1.8
539.37415	6.3
557.38458	80.4
558.38373	4.7
575.38995	2.7
582.96570	1.9
585.90991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.07082	36.1
59.05002	13.8
67.05520	2.5
69.07057	2.8
71.08640	71.6
73.02921	1.3
73.06557	5.4
79.05498	1.7
81.07057	1.8
83.08627	1.5
85.10191	36.9
86.09730	1.1
87.02360	0.9
87.04481	19.7
89.06042	100.0
95.08618	2.1
97.10175	1.4
103.07579	7.5
105.07035	1.4
110.31510	0.9
112.65146	1.1
117.09147	5.5
125.00018	1.0
127.14858	3.5
130.08643	2.8
131.07056	6.5
133.08617	80.1
135.87241	0.9
141.16490	1.0
161.11729	1.5
175.09663	5.0
177.11244	38.2
184.07344	5.2
185.18988	6.1
201.99413	1.1
210.74016	1.1
219.12193	2.0
221.13904	8.7
229.21664	6.0
239.15001	1.5
265.16440	2.4
283.05914	1.3
283.17578	2.7
304.02286	1.1
309.19254	1.4
327.20325	1.3
353.21582	1.5
491.86627	1.1
503.30179	1.4
547.33435	7.6
580.28870	1.2
622.19214	1.2
731.51062	1.9
748.40045	5.7
748.53888	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	749.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	0.9
55.05507	1.8
57.03453	3.1
57.07077	3.4
57.91936	0.5
61.02933	5.8
67.05519	6.3
69.03435	4.0
69.07073	2.5
69.46397	2.5
69.46800	1.1
70.80284	0.6
71.04984	2.9
71.08648	1.9
73.02924	4.1
79.05492	3.8
81.03415	3.2
81.07061	5.7
83.08607	1.4
85.02921	5.9
85.10193	1.2
87.04485	1.2
89.06057	0.9
91.03960	4.2
91.05501	3.0
93.07050	5.6
93.48385	0.6
93.56204	0.6
95.04996	1.3
95.08617	4.7
97.02892	5.3
97.06548	1.2
99.04470	1.1
101.02377	2.2
104.33156	0.6
105.07050	2.0
107.08588	2.9
108.82561	0.7
109.02907	1.6
109.10165	3.2
115.03961	0.8
117.07040	0.7
119.08618	2.1
121.10177	2.1
123.11707	1.0
127.03940	1.7
131.08600	0.9
133.08640	1.4
133.10196	0.8
135.11696	1.4
137.09615	1.3
145.10130	1.2
155.10680	0.8
182.14140	0.7
184.07153	0.6
185.04243	1.2
185.08057	0.6
193.12421	0.6
214.22691	0.6
243.08420	3.3
253.14174	2.0
267.15994	1.2
313.27567	2.0
433.84583	0.6
471.22345	5.3
519.29181	7.6
552.39130	0.8
697.49841	0.8
749.44507	100.0
750.44611	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.21033	0.7
55.05509	2.0
57.03445	1.5
57.07072	1.4
59.04975	0.8
61.02934	5.1
67.05511	7.0
69.03429	2.7
69.07091	1.3
71.08645	1.4
71.52232	1.0
73.02921	3.2
79.05491	4.7
81.03403	4.5
81.07059	5.7
83.08624	1.6
85.02906	5.0
86.73561	0.8
89.06011	1.4
91.03954	2.6
91.05490	3.9
93.07043	4.3
95.04977	2.1
95.08622	3.9
97.02898	3.8
101.02383	1.8
105.07024	1.7
107.08614	2.1
109.02925	1.3
109.10164	2.2
119.08601	2.0
121.10172	2.4
127.03925	1.1
129.07031	1.3
131.08577	1.6
133.10213	1.0
135.11746	0.8
145.10152	1.3
147.11740	1.1
157.10172	1.0
169.61826	0.9
179.14450	0.8
193.12312	3.0
210.13921	0.8
211.13408	0.9
243.08437	1.7
251.12585	3.7
261.22357	0.9
335.26001	1.5
469.20486	9.4
519.29175	4.0
552.35162	0.8
747.42834	100.0
748.42737	4.1
767.08313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91723	0.4
53.03952	0.8
55.05519	1.8
57.03440	2.1
57.07081	1.6
61.02936	6.1
67.05510	6.1
69.03438	2.9
69.07073	2.0
70.66141	0.4
70.96164	0.8
71.01377	0.6
71.04990	0.8
71.08643	1.5
73.02924	3.3
73.25754	0.4
79.05499	4.4
81.03435	3.6
81.07065	6.8
83.08630	1.4
85.02919	5.4
85.10201	0.8
87.04498	0.7
89.06039	1.0
91.03964	3.7
91.05485	3.1
93.07054	5.6
95.04983	1.2
95.08617	4.8
97.02896	4.1
97.10199	0.8
99.04464	1.1
101.02409	1.5
103.03970	0.6
105.07066	2.3
107.08593	2.6
109.02849	0.9
109.10157	2.5
114.29568	0.4
117.07043	1.2
119.08615	1.9
121.10189	2.5
123.11725	0.5
127.03947	1.3
131.08604	1.4
133.08649	0.6
133.10181	1.0
135.11751	1.0
145.10112	0.8
147.11713	1.3
149.13240	0.5
157.10176	0.6
161.13211	0.6
173.13315	0.7
185.04237	0.6
193.12358	1.3
203.05225	0.5
211.13307	0.6
221.92767	0.4
243.08521	1.8
249.11111	0.6
251.12567	5.2
257.04565	1.4
285.36795	0.4
307.15222	0.7
326.28983	0.4
335.25705	2.2
377.13992	0.5
395.14719	0.8
462.43872	0.5
469.20462	6.7
519.29388	6.8
611.17163	0.4
655.35864	0.5
729.39984	0.6
747.42853	100.0
748.43158	3.8
768.44147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01883	0.5
55.05515	1.5
57.03439	2.2
57.07098	0.3
59.04993	0.3
61.02932	5.4
65.03960	0.3
67.05181	0.4
67.05512	5.7
69.03439	3.5
69.07069	1.4
69.85065	1.4
71.01371	0.4
71.05000	0.6
71.08628	0.4
73.02922	4.6
77.03915	0.2
79.03109	0.2
79.05504	4.5
81.03429	3.0
81.07066	5.9
81.07533	0.3
83.08636	1.4
85.02910	7.1
87.04490	0.6
91.03967	3.8
91.05487	3.3
93.07052	4.4
95.04964	0.6
95.08615	4.8
97.02902	5.3
97.06540	0.4
97.10172	0.5
99.04480	1.0
101.02375	1.9
103.03954	0.6
105.07040	2.1
107.04980	0.3
107.08606	2.2
107.88165	0.2
109.02889	0.8
109.06500	0.3
109.10174	1.3
111.08121	0.4
115.03975	0.4
117.07051	0.6
119.08566	1.2
121.06518	0.2
121.10162	1.8
123.11735	0.6
127.03925	1.3
129.07010	0.5
131.08578	1.2
133.10114	1.4
135.11700	1.1
145.04958	0.5
145.10118	0.5
147.11691	0.7
149.09625	0.3
149.13290	0.5
157.10176	0.5
159.11786	0.4
161.13277	0.4
173.13347	0.5
173.73619	0.2
175.11140	0.2
175.14804	0.2
185.04271	0.7
193.12300	0.8
203.05305	0.5
211.13431	0.4
243.08409	2.2
251.12561	1.4
261.22220	0.3
283.05594	0.2
307.15347	0.4
335.26041	1.3
469.20374	3.1
519.29309	7.1
561.87799	0.3
585.37463	0.3
716.44836	0.2
732.25305	0.3
747.42932	100.0
748.43164	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	747.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01867	0.4
55.05519	1.8
56.33627	0.3
57.03440	2.1
57.07084	0.6
57.26295	0.2
61.02933	5.2
64.25034	0.2
65.03913	0.4
67.05508	5.0
69.03435	2.9
69.07069	1.2
69.14819	2.8
71.01353	0.5
71.05009	0.8
71.08629	0.4
73.02554	0.4
73.02927	3.8
79.05505	3.4
81.03427	3.7
81.07062	5.2
83.08640	0.9
84.62243	0.3
85.02912	5.6
85.10185	0.4
87.04475	0.6
89.06040	0.4
91.03969	3.0
91.05499	3.5
93.07050	3.2
95.04986	1.2
95.08611	3.0
97.02893	4.4
97.06551	0.4
99.04460	0.9
101.02394	2.1
102.81693	0.3
103.03938	0.5
105.07046	2.5
107.08598	1.6
109.02912	0.8
109.10179	1.0
111.08112	0.4
111.40984	0.2
115.03984	0.4
115.05512	0.3
117.07056	0.5
119.08590	2.0
121.10178	1.6
123.11715	0.5
127.03961	1.2
129.06996	0.6
131.08597	1.6
133.10085	1.7
135.11713	0.5
145.10092	0.5
147.11671	1.3
149.09621	0.3
149.13260	0.3
157.10185	0.9
159.11729	0.6
175.11240	0.7
185.04256	0.6
193.12329	1.0
211.13405	0.5
243.08455	2.4
251.12613	1.3
261.22342	0.3
307.15305	0.6
335.25995	1.0
395.14523	0.4
407.83154	0.3
469.20532	8.1
519.29474	3.5
537.06293	0.3
552.93951	0.3
579.85266	0.3
605.27454	0.7
620.67395	0.4
643.96948	0.3
747.42932	100.0
748.43500	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
53.65964	0.2
55.01870	0.5
55.05518	1.0
57.03438	0.5
57.24218	0.2
61.02926	0.4
67.05504	0.7
68.99795	0.6
69.03437	3.4
69.07062	1.9
70.82405	0.4
71.04990	0.9
73.02917	0.6
76.28396	0.2
79.05486	0.6
81.03426	5.0
81.07070	1.2
83.04984	0.5
83.08627	0.6
85.02908	4.1
87.00835	1.3
91.03958	0.2
91.05477	1.4
93.07052	1.3
95.04962	0.3
95.08619	1.9
97.02907	3.2
97.06555	0.3
99.04475	1.8
105.01856	0.8
105.07036	2.9
107.08601	2.0
109.02887	7.6
109.06488	0.3
109.10152	1.1
111.04446	0.8
113.02410	0.2
115.03958	0.2
117.07011	0.3
119.08585	6.9
121.02892	0.2
121.10146	1.0
123.04457	0.2
123.08109	0.2
123.11727	0.3
125.02399	0.5
127.03925	100.0
128.04263	1.3
129.01854	0.9
129.04358	0.4
129.05348	0.2
131.08655	0.2
133.06509	0.2
133.10143	7.4
135.11714	1.4
137.05969	0.9
137.09618	0.8
141.01843	1.4
142.02242	0.2
145.04953	1.5
147.02910	0.5
147.04482	0.3
147.11700	0.8
151.03911	0.3
159.02878	0.6
163.03879	0.2
165.05479	0.3
165.16333	0.4
167.07039	0.2
171.02934	0.2
173.13347	0.3
175.14838	18.7
177.05533	0.2
193.05070	0.2
193.15877	1.8
195.02908	0.3
211.17012	0.8
213.03934	1.4
217.05092	0.2
219.06841	0.2
231.05006	1.6
235.06061	0.2
236.51035	0.2
250.14516	0.2
273.06052	0.6
276.46793	0.2
285.06021	0.2
287.05243	0.2
339.07147	0.8
357.08246	1.7
375.09344	1.7
501.12518	0.5
519.13324	1.9
627.97772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
57.03447	1.3
57.07082	100.0
58.07412	0.7
59.05007	21.4
60.04532	0.5
60.43280	0.5
67.05520	4.6
68.05847	1.0
69.03434	0.5
69.07072	2.7
69.78456	0.5
71.05005	0.9
71.08639	68.5
72.08977	1.0
73.02943	1.0
73.06563	1.5
79.05495	1.4
81.03410	0.5
81.07056	2.8
83.08630	2.4
85.10191	55.1
87.04478	9.9
89.06041	64.7
90.68977	0.4
91.05487	1.3
91.07598	0.5
92.05810	0.5
93.07053	2.1
95.08614	1.9
97.06510	0.5
97.10172	2.1
99.11742	11.9
101.09672	1.6
103.07608	1.0
105.07069	0.9
106.87684	0.5
107.07124	1.2
107.08580	1.2
109.10163	2.8
110.10487	1.1
110.59437	0.5
111.11751	0.9
113.13289	4.7
117.09150	5.5
119.67181	0.5
121.10183	0.7
130.08624	1.9
131.07060	4.5
133.08618	53.4
135.11729	0.8
147.10202	0.6
155.17964	9.2
161.11713	1.0
171.17448	0.6
173.11571	0.6
175.09668	4.5
177.11240	24.9
184.07387	0.5
194.82269	0.4
196.33263	0.5
213.22160	17.6
219.12244	1.3
221.13852	4.1
239.14943	1.4
254.24718	1.8
265.16418	1.4
269.81519	0.4
271.26337	7.4
283.17426	1.8
285.16840	0.5
309.19052	1.4
325.22440	0.5
327.20108	1.1
336.25882	0.8
337.33032	0.5
353.21530	1.3
371.22675	1.0
397.24054	0.7
415.25085	1.6
441.26712	0.9
459.28024	13.3
475.20367	0.7
489.35757	0.6
490.36008	1.2
491.36404	2.7
499.30984	2.2
517.31787	1.1
547.32721	1.0
547.40240	0.6
548.39850	0.8
549.40454	2.2
557.34851	0.7
560.23468	0.6
620.25293	1.6
729.53003	1.1
746.42938	1.4
746.55396	6.9
747.41571	0.6
757.74390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
53.29471	0.2
55.01867	0.3
55.05515	1.5
57.03435	1.6
57.07073	0.6
59.05015	0.3
61.02930	4.6
67.05505	4.8
69.03435	3.0
69.07063	0.9
71.01392	1.1
71.05002	0.4
71.08630	0.2
73.02919	3.7
79.05501	3.5
81.03427	1.5
81.07059	4.9
83.04988	0.6
83.08624	0.7
85.02908	5.3
85.06496	0.2
87.04477	0.5
89.06035	0.3
91.03964	3.5
91.05478	2.0
93.07046	4.7
95.04963	0.4
95.08612	4.4
97.02901	4.9
97.03529	0.4
97.10155	0.4
99.04431	1.1
101.02390	2.0
103.03946	0.4
105.07034	1.5
107.08606	2.7
109.02896	0.6
109.06531	0.4
109.10168	1.6
111.04423	0.3
115.03938	0.5
117.07067	0.7
119.08570	1.4
121.10139	1.9
123.11703	0.5
127.03893	1.4
131.08586	0.7
133.10173	0.4
135.11699	2.4
145.10143	1.6
147.11746	0.3
149.13248	0.5
159.11734	0.2
161.13231	0.4
163.11218	2.2
203.05336	0.4
219.10078	0.4
227.12773	1.5
243.08430	2.4
245.58604	0.2
249.08357	0.6
249.10989	12.4
276.67743	0.2
305.13748	1.2
335.25983	1.0
337.26892	0.3
339.95413	0.2
467.18842	5.6
468.18808	0.3
519.29315	8.6
520.29858	0.3
548.39655	0.5
583.36121	0.3
690.81427	0.2
701.48315	0.2
720.27106	0.3
745.41321	100.0
746.41528	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	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01885	0.4
55.05521	1.4
57.03440	2.4
57.07101	0.3
59.05008	0.3
61.02932	5.7
67.05513	5.0
69.03434	4.1
69.07092	1.3
71.01363	0.4
71.05000	0.7
73.02926	4.4
79.05508	3.8
81.03415	1.6
81.07061	4.9
83.01343	0.3
83.04980	0.6
83.08626	0.4
85.02912	5.3
87.04476	0.5
91.03957	3.0
91.05488	2.0
93.07056	4.8
95.04997	0.8
95.08608	3.4
97.02905	6.0
97.06556	0.3
99.04475	1.0
101.02400	2.2
105.04513	0.3
105.07056	1.4
106.30521	0.2
107.04980	0.4
107.08590	2.4
109.02905	1.1
109.10165	1.6
115.03992	0.3
117.07030	0.6
119.08578	1.2
121.10146	1.9
123.08134	0.5
123.11726	0.3
127.03944	1.8
127.42661	0.3
131.08607	1.0
133.10182	0.7
135.11748	1.3
145.10168	0.9
147.11716	0.5
149.13327	0.3
159.11728	0.5
163.11252	1.1
173.13336	0.4
185.04236	0.4
215.74350	0.2
243.08432	1.8
249.11070	0.5
283.15436	0.3
335.25980	0.9
467.19052	3.3
519.29321	8.0
745.41370	100.0
746.41687	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	745.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01878	9.4
55.05513	14.1
57.03429	4.8
57.07073	4.4
58.22618	1.1
61.02924	2.7
63.43878	1.3
65.03960	1.5
67.05508	25.7
69.03441	2.1
69.07073	24.5
70.88855	1.6
71.00964	2.1
71.01357	33.8
71.08639	1.1
73.02921	4.4
74.09712	1.5
75.04488	9.3
75.15746	1.0
78.08755	1.0
79.05497	13.2
81.03410	2.2
81.07059	45.8
83.04974	1.6
83.08628	13.9
85.02908	47.4
91.03954	2.6
91.05479	14.6
93.07047	31.3
95.01331	6.3
95.04943	1.9
95.08611	100.0
97.02892	4.3
97.06528	8.1
97.10172	7.8
99.00809	1.6
99.04472	2.1
101.02382	56.4
103.03916	1.5
105.07037	35.8
107.08601	61.0
109.10163	76.5
110.10460	1.6
110.66180	1.3
111.08079	2.2
111.11742	6.4
113.02405	6.0
117.07031	3.4
119.08585	53.2
121.10149	58.1
123.08104	1.3
123.11719	29.5
127.03934	15.3
131.03406	3.3
131.08571	9.2
133.10143	46.9
135.11694	43.9
137.13260	12.5
141.01826	12.0
143.08539	2.0
145.04964	65.2
145.10129	18.3
146.10985	1.2
147.11699	33.5
149.13283	25.1
151.11206	1.4
151.14789	2.2
157.10126	3.1
159.02849	2.1
159.11694	20.1
161.13271	38.8
163.06018	1.3
163.14847	23.0
171.11754	2.8
173.13257	14.3
175.14845	23.0
177.16391	36.6
179.17981	3.8
185.13303	2.5
187.14806	18.6
189.16388	61.9
190.16747	1.2
191.17957	59.0
199.14755	1.8
201.16388	19.1
203.17960	38.8
205.19530	17.8
207.17499	8.3
213.16367	2.7
215.17961	17.3
217.19518	42.8
219.21092	6.0
221.19011	2.4
227.17958	3.9
229.19485	19.5
231.21082	9.1
241.19624	2.5
243.21091	8.5
244.03563	1.4
245.22696	7.5
255.21095	4.4
257.22641	9.4
269.22678	6.9
271.24213	7.8
283.24240	4.4
285.25937	2.6
297.25818	10.2
302.04428	2.0
311.27426	1.4
315.04895	2.0
317.06635	3.4
327.05249	1.5
337.28824	2.3
363.10852	1.3
365.19452	1.3
365.32043	3.6
367.08337	1.3
383.20605	4.9
407.36731	73.0
408.36630	1.4
425.37811	14.3
531.86279	1.3
601.40930	8.0
626.60602	1.3
709.19452	3.7
727.19617	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.8
57.03440	2.1
57.07078	100.0
58.07416	1.1
59.05006	42.9
64.95457	0.7
66.70880	0.7
67.05511	2.2
69.07074	2.5
69.46459	1.1
69.46860	4.4
71.08636	93.7
72.08169	1.0
73.02924	0.8
73.06573	2.0
74.60166	0.6
79.05508	1.2
81.03420	1.1
81.07079	2.2
83.08643	3.9
83.74026	0.7
85.10186	93.8
86.01196	0.7
86.10542	1.0
87.04474	9.4
89.06036	61.5
93.07053	1.7
95.04984	0.7
95.08607	1.5
97.10180	1.7
99.11737	10.1
101.06044	1.9
101.09660	3.5
103.07598	2.3
105.07027	1.1
107.07070	1.1
109.10170	1.4
111.11767	0.9
117.09138	13.5
117.09889	0.9
119.08593	0.9
121.73102	0.7
130.04015	0.7
130.08688	2.8
131.07074	3.3
133.08612	50.4
141.16388	12.3
147.10291	1.1
147.11749	0.8
161.11815	1.2
175.09731	2.9
177.11230	21.1
177.12672	1.4
184.07474	1.5
191.12900	0.9
199.20576	26.3
219.12430	1.0
221.13844	4.1
239.15028	0.9
240.23250	2.0
242.08699	0.7
256.48642	0.7
257.24759	29.9
258.25317	0.8
265.16721	2.0
283.17822	1.4
296.24249	0.8
309.19287	1.3
315.28891	1.3
327.20258	2.1
335.25970	1.2
338.60892	0.8
353.21793	0.9
371.23016	2.0
397.24445	1.0
415.25388	14.9
455.28821	2.4
473.29901	2.2
513.33130	1.1
547.33759	0.9
549.41187	1.9
746.42938	2.8
746.56683	9.5
747.44672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01870	0.9
55.05520	1.1
57.03432	0.7
57.07075	0.2
61.02918	0.6
65.03905	0.2
67.05519	0.6
67.05790	0.1
68.99791	0.9
69.03433	4.6
69.07070	1.1
69.26184	1.1
71.01331	0.2
71.05006	0.7
71.67297	0.1
73.02907	0.7
79.05496	1.2
81.03425	5.9
81.07063	3.1
83.01337	0.1
83.04984	1.2
83.08632	0.9
85.02910	5.4
85.06539	0.3
87.00834	1.5
87.04476	0.1
91.03973	0.2
91.05483	1.1
93.07052	1.6
95.04974	5.8
95.08621	1.0
97.02895	4.0
97.03521	0.2
97.06537	1.1
99.04463	2.7
103.03979	0.2
105.01875	1.0
105.04549	0.1
105.07044	1.9
107.04945	0.2
107.08598	2.5
109.02888	8.9
109.06523	3.0
109.10159	1.2
111.04462	0.9
111.08120	0.6
111.08772	0.1
113.02409	0.2
113.09707	0.2
115.03928	0.1
115.07597	0.3
117.07025	0.4
119.04966	0.2
119.06110	0.1
119.08593	1.4
121.02864	0.2
121.06493	0.3
121.10155	2.2
123.04443	0.5
123.08070	1.4
123.11711	1.9
125.02382	0.3
125.09608	0.3
127.03925	100.0
128.04262	0.7
129.01831	1.1
129.05516	0.2
129.06973	0.2
131.08580	1.4
133.06480	0.1
133.10147	3.8
135.08055	1.5
135.11717	0.4
137.05956	0.8
137.09550	0.1
139.03883	0.2
139.11168	0.2
141.01842	1.5
143.08556	0.3
145.04968	1.8
145.10158	0.6
147.02925	0.7
147.04387	0.6
147.11707	2.1
149.09657	0.4
149.13246	0.9
150.10368	0.2
151.03958	0.7
151.07552	0.3
151.11153	0.3
153.09108	2.0
158.10912	0.3
159.02890	0.8
159.11781	0.1
161.09642	0.2
163.03876	0.2
163.11261	0.3
163.14825	0.8
165.05505	0.2
165.12788	1.1
167.07088	0.2
167.10719	0.2
167.14354	0.6
169.04948	0.2
171.02945	0.3
171.10184	0.2
173.13266	2.9
173.14697	0.2
175.14871	0.5
177.05499	0.3
181.05031	0.2
187.06088	0.1
187.11211	0.1
189.03949	0.2
189.05550	0.3
189.12788	0.3
191.14326	8.2
192.14662	0.2
193.04947	0.2
195.03009	0.1
201.04060	0.1
207.13835	0.3
209.15392	5.2
213.03918	1.3
217.04993	0.2
225.14886	0.2
227.16428	1.5
231.05014	1.7
235.06104	0.3
249.05984	0.2
255.05058	0.3
273.06122	0.6
285.06110	0.4
287.05563	0.5
291.07196	0.2
299.16309	0.3
303.07193	0.4
315.07114	0.1
317.17572	0.2
321.06100	0.3
339.07135	0.9
357.08182	1.8
375.09238	1.9
387.14432	0.3
417.10385	0.3
439.19720	0.2
501.12167	0.2
519.13593	1.3
565.22620	0.2
583.23798	0.4
776.31122	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.27824	0.7
53.32189	0.8
55.01876	1.0
55.05512	11.5
56.19816	0.8
57.03442	6.0
57.07070	2.9
59.04992	2.4
61.02921	2.5
65.03928	2.7
67.05508	87.0
67.07930	0.6
68.05820	0.9
69.03432	1.7
69.06732	1.0
69.07072	12.3
70.00900	1.4
70.01301	1.4
71.04997	16.8
71.08620	1.6
73.02899	1.0
77.32828	0.8
79.05025	1.1
79.05495	34.0
81.03419	3.8
81.07059	36.1
83.04974	3.9
83.08615	7.0
85.02901	2.8
85.06544	3.3
91.03944	1.4
91.05484	20.8
93.07049	36.7
95.04953	3.5
95.08610	28.0
97.02901	1.7
97.06539	3.7
97.10152	2.1
98.21405	1.0
99.08103	2.3
101.47330	0.7
105.04547	1.1
105.07037	10.3
107.08595	19.5
107.09308	1.3
109.06538	1.0
109.10161	57.5
111.08084	2.9
111.11707	0.8
113.09630	0.9
117.07005	4.2
119.08578	15.2
119.09383	1.4
121.10145	15.4
123.08133	0.9
123.11729	3.0
125.09721	0.9
127.03916	1.0
131.08586	6.5
133.10144	7.6
135.11693	14.5
137.09624	9.8
139.11151	0.8
145.10121	6.0
146.48726	0.7
147.11674	5.3
149.09653	1.5
149.13271	4.0
155.10675	2.6
159.11705	3.3
161.13292	2.5
163.11153	3.9
163.14850	1.0
169.12279	1.7
171.11707	1.3
173.11758	7.1
173.13277	2.4
175.14832	1.5
181.12286	1.5
185.13272	0.7
187.13260	1.6
187.14832	1.3
201.16415	0.7
211.13289	1.8
213.14792	1.2
229.14331	0.7
243.15900	2.5
243.21025	0.9
255.15846	5.2
259.20584	1.0
261.22214	3.4
274.63693	0.8
285.16953	1.7
287.18549	16.3
335.25797	29.5
336.25830	0.8
337.27307	2.1
397.31174	2.0
423.32773	0.9
471.34930	3.6
489.35760	100.0
490.36066	3.1
500.50287	1.1
503.37125	2.7
515.37292	15.0
516.38165	0.9
533.38251	1.3
547.39972	86.5
548.40210	3.1
744.45447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2031
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
55.05500	0.2
57.03444	2.3
58.37482	0.2
61.02925	1.2
68.99790	0.4
69.03433	1.8
69.39772	1.0
69.40187	0.4
71.01334	0.5
71.05001	8.1
73.02924	2.4
75.04469	0.5
83.04978	1.6
85.02914	12.3
87.04469	0.6
91.03960	0.7
91.52821	0.2
95.04945	0.3
97.02901	3.8
99.04415	0.2
107.05018	0.2
109.02895	0.4
111.00795	0.7
111.04469	1.5
115.03954	1.8
121.02879	0.7
123.04414	0.2
127.03057	0.2
127.03923	0.7
127.45834	0.2
129.05486	4.1
133.04964	0.5
137.02361	1.9
145.04970	0.5
147.06540	2.1
149.02351	0.2
153.01842	2.1
161.05984	0.2
163.03941	0.3
163.06036	0.9
165.01852	1.4
171.06555	0.2
183.02904	0.5
187.03821	0.2
201.05405	0.9
225.07607	1.5
229.04962	2.7
241.07179	0.3
243.08658	0.5
247.06198	0.3
255.08827	0.3
257.04449	1.6
261.09924	0.2
274.04770	0.5
275.05545	0.3
279.10672	0.2
285.04016	0.8
287.05597	0.4
303.05014	100.0
304.05383	2.2
315.05023	0.5
327.04779	0.2
345.06201	0.6
369.06277	0.4
447.09341	0.3
449.10425	0.3
465.10278	2.1
597.14642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01868	0.4
55.87423	0.2
57.03444	0.4
60.34179	0.2
61.02916	0.5
67.05489	0.2
67.25305	0.2
68.99797	1.3
69.03099	0.3
69.03436	3.4
70.06601	0.3
71.04990	0.8
71.51751	0.2
73.02915	0.6
74.71768	0.2
79.05479	0.3
81.03429	5.2
81.36649	0.2
83.01346	0.2
83.04982	0.5
83.72365	0.2
85.02914	5.1
86.09768	0.2
86.51880	0.2
87.00845	1.5
87.04472	0.3
91.05486	1.2
95.04969	0.3
97.02899	3.6
99.04452	1.5
105.01876	0.7
105.07014	0.4
107.04956	0.3
109.02890	8.4
109.06500	0.2
110.60104	0.2
111.04436	0.6
117.01839	0.3
119.04953	2.3
119.08615	0.3
120.08078	0.2
121.02901	0.3
121.06541	0.2
123.04459	0.3
125.02366	0.5
127.03927	100.0
128.04248	0.7
129.01843	0.6
133.10091	0.2
137.02364	0.3
137.05939	0.4
139.03922	0.2
141.01859	1.7
141.10858	0.2
145.04976	1.8
147.03127	0.3
147.04417	3.0
148.04774	0.4
149.05977	0.2
151.03928	0.4
159.02887	1.0
161.06003	0.3
163.03856	0.2
165.05496	0.3
167.07018	0.2
175.03906	1.8
177.05469	0.4
179.07039	0.3
189.05559	0.5
191.18881	0.2
192.04228	0.7
193.04945	0.3
195.02960	0.4
207.06531	4.1
207.13832	0.3
213.03911	1.0
217.04942	0.2
225.07617	1.1
231.05009	1.9
273.06052	0.5
285.06235	0.3
287.05484	2.2
288.05792	1.4
289.06219	0.9
301.07138	0.5
303.04684	1.4
321.06287	0.2
339.07211	0.6
347.07266	0.2
357.08047	1.3
374.09106	0.2
375.09418	0.8
519.13068	0.5
531.21295	0.2
743.36914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
55.05503	0.3
57.03442	2.1
59.04998	0.2
61.02937	1.0
68.99802	0.2
69.03436	4.3
70.83933	0.3
71.01367	0.2
71.04999	8.2
73.02905	0.8
75.04476	0.6
79.05484	0.2
81.03406	0.7
83.04983	1.5
85.02911	12.5
87.04475	2.1
91.03968	0.8
93.03399	0.2
95.04958	0.4
97.02299	0.3
97.02902	4.6
97.06519	0.1
99.04467	0.7
108.13975	0.2
109.02882	0.5
111.00807	0.6
111.04467	1.2
115.03935	4.4
117.05527	0.2
121.02871	0.5
123.04426	0.3
123.48989	0.1
127.03926	0.9
129.05490	3.4
133.04971	2.7
134.60484	0.1
135.04449	0.2
137.02333	1.9
139.03885	0.5
145.04959	0.7
147.06522	2.0
149.02379	0.3
149.04480	0.2
151.03938	0.2
153.01834	2.1
153.05467	0.3
163.03951	0.3
163.06000	0.2
165.01857	1.4
166.02658	0.2
171.06532	0.5
179.07051	0.2
183.02884	0.7
187.04005	0.2
195.02835	0.2
201.05469	1.1
207.06477	0.3
219.06497	0.2
225.07635	0.7
229.05002	3.0
243.08673	0.8
247.06126	0.4
255.08771	0.2
257.04520	1.6
261.09756	1.1
274.04749	0.6
275.05627	0.1
279.10791	0.3
285.03983	0.9
287.05447	0.2
303.05011	100.0
304.05286	1.6
315.04974	0.5
345.05881	0.7
369.06036	0.4
435.09171	0.4
447.09079	0.2
449.10864	0.2
465.10352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1822
Annotation	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-(2''-(E)-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.4
55.01854	0.2
57.03430	1.0
61.02919	0.7
65.03928	1.1
65.32220	0.3
68.99806	0.5
69.03430	2.5
69.07068	0.2
70.47669	0.5
70.48003	0.4
71.04997	0.5
74.01630	0.2
81.03412	2.3
81.07037	0.3
85.02909	16.5
86.03271	0.2
87.04468	0.5
91.05485	6.7
92.05812	0.2
93.03397	0.2
93.07050	0.2
95.04956	0.4
95.08640	0.3
97.02898	6.5
99.04462	1.0
103.85770	0.2
105.07072	0.3
109.02882	2.7
109.10178	0.3
111.00828	1.1
115.03951	0.5
119.04950	16.1
121.02826	1.1
123.04462	0.4
127.03934	4.0
133.05003	0.5
135.04364	0.3
137.02345	3.2
137.05988	0.3
145.02795	0.4
145.04958	1.7
147.04416	78.6
148.04730	0.8
149.02374	0.3
153.01843	3.7
159.08047	0.3
160.65132	0.2
161.05934	0.4
163.03906	0.9
165.01857	1.6
165.05476	3.5
166.02676	0.3
167.07185	0.3
173.05952	0.4
177.05446	0.5
183.02872	0.8
183.04326	0.4
187.03899	0.2
195.02841	0.2
201.05482	1.8
201.87300	0.2
207.13748	0.4
215.07018	0.2
219.06436	0.3
227.06940	0.2
229.04962	3.9
242.88251	0.2
247.06137	0.8
257.04440	2.6
261.07587	0.5
274.04709	0.7
279.08673	0.5
285.03973	1.0
286.04654	0.3
287.05524	2.0
288.05838	0.9
289.06213	0.6
291.08588	0.8
301.07037	0.5
303.05002	100.0
304.05301	1.3
309.09723	3.9
310.09869	0.2
315.04968	0.6
327.04990	0.2
381.06277	0.3
418.73514	0.2
435.09344	0.3
441.14182	0.4
554.54962	0.2
611.13715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
57.03435	0.6
59.05005	0.2
64.38943	0.2
65.03944	1.3
67.05512	0.2
68.99804	0.4
69.03436	1.8
69.83891	0.6
70.06576	0.2
71.05009	0.3
73.02892	0.2
79.05515	0.3
81.03426	1.1
81.07049	0.7
83.04995	0.2
85.02910	1.9
87.04478	0.8
89.03897	0.2
91.05489	6.7
93.03383	0.2
93.07068	0.4
95.04972	0.5
95.08609	0.3
97.02901	1.8
98.20829	0.2
99.04421	0.2
105.07048	0.3
107.08591	0.3
108.59174	0.1
109.02876	1.2
109.06564	0.2
109.10155	0.3
111.00797	0.8
111.04481	0.2
115.03934	0.5
117.03421	0.3
117.07027	0.2
119.04951	16.3
119.08591	0.3
121.02897	1.3
121.06526	0.2
121.10149	0.3
123.04414	0.3
127.02979	0.3
127.03925	4.9
131.04945	0.4
131.08551	0.2
133.04993	0.4
133.06546	0.2
135.04413	0.4
137.02351	3.2
137.05981	0.4
145.02859	0.5
145.06470	0.2
147.04419	73.1
148.04742	1.2
149.02345	0.4
149.06062	0.2
149.09613	0.4
151.07553	0.4
153.01834	3.5
161.06078	0.4
163.03929	1.9
165.01842	2.1
165.05519	1.9
165.09108	0.2
166.02650	0.2
167.07083	0.3
173.06032	0.5
175.07547	0.2
175.14844	0.3
176.46341	0.1
177.05547	0.8
183.02896	0.7
183.04340	0.3
185.05956	0.2
187.03964	0.5
187.07463	0.2
189.05644	0.2
191.03395	0.3
191.07153	0.2
198.56477	0.2
199.00417	0.1
201.05444	2.0
205.05077	0.3
207.06554	0.3
207.13869	0.4
213.05579	0.2
219.06671	0.3
223.67993	0.2
228.04118	0.2
229.04980	4.7
231.06664	0.4
239.03368	0.2
247.06027	0.8
257.04474	3.0
261.07538	0.3
273.07471	0.3
274.04861	0.8
275.05344	0.3
279.08890	0.5
285.03912	1.2
287.05527	4.7
288.05905	1.2
289.06030	0.7
291.08618	1.0
301.07071	0.3
302.04163	0.2
303.05005	100.0
304.05331	1.7
309.09659	1.5
315.04776	0.2
345.05942	0.3
743.29791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79615	0.2
53.03946	0.3
55.01871	0.3
57.03435	1.3
59.05027	0.2
61.02919	0.7
65.03937	1.0
68.99796	0.7
69.03433	2.7
71.02821	0.5
71.04988	0.4
73.02910	0.3
79.05488	0.2
81.03424	2.0
81.07062	0.2
85.02907	16.0
87.04462	0.8
88.30104	0.2
91.04907	0.3
91.05484	7.0
93.03383	0.3
95.05000	0.4
97.02891	5.4
99.04441	0.5
105.03384	0.2
105.07041	0.3
107.05000	0.3
109.02876	2.5
111.00813	1.0
111.04424	0.3
115.03931	0.7
119.04948	17.0
121.02846	1.0
123.04455	0.4
127.03924	4.1
131.04971	0.2
133.04939	0.3
137.02341	3.5
137.06000	0.3
145.04947	1.7
145.05956	0.2
145.06535	0.2
146.27235	0.2
147.04414	76.1
148.04773	0.8
149.02359	0.6
153.01839	3.1
159.08064	0.4
161.05995	0.2
163.03906	1.1
165.01843	2.0
165.05482	3.1
166.02692	0.3
167.07095	0.4
173.06026	0.6
177.05447	0.7
183.02905	0.8
183.04315	0.2
187.03969	0.4
191.03308	0.2
195.03020	0.4
201.05446	1.7
205.04892	0.3
207.13918	0.2
215.07053	0.2
228.04129	0.3
229.04974	3.8
247.06030	0.8
257.04468	3.1
261.07477	0.8
268.40384	0.2
274.04684	0.6
275.05423	0.3
279.08691	0.2
285.04010	1.1
286.04755	0.3
287.05563	1.4
288.05789	0.5
289.05948	0.4
291.08575	0.5
301.07043	0.4
303.04999	100.0
304.05359	2.0
309.09692	3.8
315.05042	0.9
327.04977	0.2
345.06201	0.3
347.05383	0.2
409.11325	0.2
411.07153	0.4
429.08209	0.2
435.09424	0.2
441.13416	0.2
587.13403	0.2
611.13550	0.6
668.21008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.1
55.01865	3.6
55.05274	1.7
55.05517	21.5
57.03195	1.4
57.03442	16.1
57.07062	1.9
59.04990	1.2
61.02932	4.9
61.19929	0.8
65.03944	3.1
66.26627	0.8
67.05511	53.6
69.03442	5.3
69.07074	12.3
71.05007	4.3
71.37688	1.1
73.02912	1.5
79.05499	46.2
81.03424	57.1
81.07063	61.4
83.04986	17.8
83.08159	1.7
83.08626	27.0
85.02913	27.3
85.06546	2.4
91.03952	1.9
91.05491	41.8
93.07051	44.1
93.07644	2.1
95.04374	1.6
95.04974	23.8
95.08613	35.3
97.02869	4.1
97.06535	5.7
97.10153	5.2
99.08085	1.7
99.31280	0.9
105.04546	1.8
105.07042	29.7
107.04964	7.8
107.08604	19.7
109.06530	4.9
109.10167	11.7
111.04451	1.9
111.08080	10.3
113.06002	2.8
113.09674	0.9
115.05441	1.2
117.07038	5.1
119.08591	24.1
121.06503	2.4
121.09328	1.5
121.10149	19.4
123.08067	3.6
123.11701	6.0
125.09594	1.5
129.07031	10.5
131.08583	16.8
133.06474	2.3
133.10150	16.6
135.11703	8.8
137.09634	2.8
137.13258	1.1
142.07788	3.5
143.08568	1.4
145.10133	7.5
147.08029	2.8
147.11703	17.0
149.09624	7.1
149.13266	4.4
151.11084	1.3
157.10144	16.2
159.11711	3.9
161.13281	3.6
163.11154	1.4
163.14807	2.6
165.12767	2.7
171.11696	1.7
173.13264	3.0
175.11201	14.7
175.14879	1.5
177.12764	0.9
187.14787	1.5
188.52946	0.8
193.10442	1.1
193.12268	42.8
211.13309	72.0
227.12849	1.7
243.21159	2.5
261.22098	9.4
267.15933	15.9
285.16983	83.8
286.17319	1.3
293.54156	1.0
317.24808	2.7
335.25815	79.3
336.26196	1.2
373.11331	1.0
380.09192	0.9
397.52985	1.0
435.32599	2.6
453.33603	2.3
471.34778	1.1
527.37482	12.3
545.38403	100.0
546.38422	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.2
53.95084	0.9
55.01866	2.5
55.05516	19.9
57.03447	14.2
57.07065	2.2
58.54857	0.9
61.02919	3.2
65.03937	2.6
65.17244	0.9
67.05513	45.9
69.03428	3.0
69.06726	1.1
69.07076	12.4
71.04988	3.9
73.02916	1.5
77.03925	1.1
77.22489	0.9
79.05505	40.4
81.03427	42.3
81.07065	50.8
83.04992	9.6
83.08627	20.3
85.02913	17.4
85.06544	2.1
91.03943	1.5
91.05494	33.8
93.07055	41.6
94.07397	0.9
95.04981	20.0
95.08617	32.2
97.02915	5.6
97.06516	4.5
97.10162	4.1
99.08106	1.4
105.04504	1.5
105.07037	22.5
107.04953	3.8
107.08614	21.3
109.06529	3.2
109.10168	12.2
111.04484	2.9
111.08076	6.5
113.06013	1.9
115.05418	1.7
117.07010	3.4
119.08595	21.7
121.06561	1.5
121.10152	18.1
122.30223	1.2
123.08082	2.9
123.11716	3.4
125.09625	1.7
129.07008	7.0
131.08577	14.3
133.06485	1.9
133.10147	12.1
133.86418	0.9
135.11691	7.6
135.67911	0.8
137.09647	1.3
142.07835	1.9
143.08545	1.1
145.10139	7.1
147.08043	1.7
147.11705	15.1
149.09607	4.2
149.13260	3.9
157.10139	9.5
159.11702	4.1
161.13300	3.5
163.14822	1.9
165.12767	1.4
173.13258	3.8
175.11189	9.7
175.14864	2.2
193.12260	29.9
211.13315	39.9
211.15309	2.1
221.72975	1.1
229.08069	0.9
243.21133	1.1
255.78746	1.1
261.22141	8.9
267.15891	12.6
285.16992	49.3
317.24741	3.2
335.25830	78.3
336.26022	3.0
385.07108	0.8
435.32452	1.6
453.33350	1.3
471.35266	0.9
527.37360	13.9
545.38440	100.0
546.38751	3.3
588.42041	1.1
713.81488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.2
55.00695	0.5
55.01810	3.3
55.05454	10.3
57.03378	8.2
57.03684	0.8
58.73285	0.5
59.04955	0.6
59.54405	0.6
61.02864	0.9
65.03889	1.3
67.05441	16.1
69.03362	4.4
69.07003	6.0
70.06535	1.6
71.04991	5.0
71.52510	1.0
71.94697	0.5
74.43760	0.5
78.70098	0.6
79.05502	21.7
79.05917	1.6
81.03425	41.3
81.03857	2.4
81.07063	19.2
83.04980	5.6
83.08625	12.5
85.02831	4.3
85.06467	1.9
86.09655	0.6
91.05485	15.8
93.07053	17.5
95.04978	20.8
95.08611	9.4
97.02895	3.6
97.06557	3.5
97.10183	13.2
99.04414	1.1
103.05370	0.6
105.04466	0.7
105.07040	12.0
107.04967	16.7
107.05653	0.9
107.08613	15.1
109.02818	2.2
109.06524	14.8
109.10139	5.5
111.04378	1.5
111.08089	5.8
113.05939	0.8
115.05381	1.7
117.03313	0.7
117.07027	5.5
119.04872	2.2
119.08591	10.7
121.06517	11.5
121.10155	9.3
123.04347	1.9
123.08064	4.6
123.11632	2.2
125.05992	1.3
125.09636	12.8
127.03848	1.9
128.06186	0.7
129.07001	6.3
131.04921	2.9
131.08580	12.5
133.06493	4.6
133.10147	5.8
135.04352	1.1
135.08063	8.3
135.11612	2.8
137.05948	0.9
137.09546	1.7
139.11188	3.4
141.06921	1.1
142.07762	1.7
143.08559	3.7
143.10567	0.7
145.02776	1.7
145.06491	5.2
145.10146	5.8
147.04442	4.5
147.08078	4.1
147.11708	6.9
149.05885	1.2
149.09651	6.6
149.13170	1.3
151.07486	1.0
153.09094	2.9
153.12665	1.1
155.08502	2.2
157.06451	1.6
157.10153	6.7
159.07986	2.1
159.11592	2.2
161.05901	1.2
161.09526	1.9
163.11185	4.2
165.09059	1.3
165.12711	1.0
167.08463	1.4
167.10658	1.4
169.10011	2.0
171.08009	1.6
171.10185	1.5
171.11601	1.7
173.06020	0.8
173.09589	1.6
173.13185	2.2
175.07472	0.9
175.11211	5.9
175.14728	0.7
177.05467	4.3
177.12737	1.5
179.08444	0.8
180.10236	0.7
181.06543	0.6
181.10054	1.3
183.02867	0.8
183.07948	1.0
183.11610	1.0
185.09616	1.2
185.11707	1.0
185.13181	1.0
187.11121	2.3
187.14670	0.8
189.09059	0.6
189.09712	0.6
189.11160	5.8
189.12706	1.9
191.10696	1.0
191.14430	3.9
191.69934	0.6
193.12257	15.0
195.08055	0.9
195.11725	1.0
196.06836	0.8
197.09586	1.0
197.13213	1.2
199.11104	2.1
201.12685	2.0
207.06422	0.7
211.11089	1.0
211.13152	1.3
213.08859	1.2
213.12653	1.7
215.14299	1.7
217.12170	1.2
219.11810	0.8
219.13788	8.9
223.13216	1.4
225.12706	1.1
227.12611	1.7
233.15347	3.1
235.13234	0.8
237.12756	1.2
237.14864	0.9
239.14398	1.1
241.14252	0.8
243.13759	0.9
245.15547	0.8
249.14845	1.7
255.13966	1.4
257.04416	0.7
257.15402	1.1
259.15469	7.0
267.15939	37.6
273.14801	6.9
273.17047	0.7
275.16357	0.7
283.15256	0.8
286.04630	1.6
287.05450	7.5
287.16498	0.9
288.05847	4.0
293.17471	6.8
301.06967	3.3
302.07184	0.9
303.05060	1.1
306.23218	0.6
321.22031	1.0
331.08090	0.9
332.08615	0.8
339.23245	2.1
349.21579	4.1
357.24179	1.8
367.22690	12.6
379.11960	0.7
385.23788	21.7
397.08591	0.8
403.24734	8.4
405.24225	1.0
433.25925	2.0
441.26370	8.7
451.26895	5.9
459.27460	93.8
460.27679	2.7
477.28525	100.0
478.28494	3.2
491.30194	8.3
494.31989	2.4
495.12753	1.0
495.29553	8.6
501.28421	2.4
509.32013	4.4
567.29279	2.4
603.32220	0.8
610.21460	0.7
742.39209	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.224
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
54.35585	0.2
55.05510	0.4
57.03441	1.7
59.04990	0.2
61.02917	0.4
62.09425	0.2
62.30042	0.1
63.59227	0.2
65.03939	0.2
67.05478	0.2
68.99799	0.3
69.03432	2.1
69.55619	0.5
69.56049	0.5
71.01367	0.2
71.05000	5.7
72.93872	0.2
73.02892	0.8
75.04490	1.1
77.46835	0.2
78.07686	0.2
81.03399	0.4
83.04990	2.6
85.02914	8.8
87.04465	1.3
91.03917	0.2
93.07014	0.2
95.04950	0.4
97.02896	2.0
97.06511	0.3
99.04439	0.3
100.07620	0.2
100.11238	0.4
101.06009	0.2
107.04974	0.2
109.02866	0.4
109.06516	0.3
111.00789	0.3
111.04456	2.2
115.03959	1.6
118.04208	0.5
119.04936	0.3
119.08556	0.2
121.02886	1.1
127.03927	1.4
129.05495	2.5
133.04964	1.0
137.02371	0.3
137.05954	0.2
145.04962	0.2
146.08156	0.2
147.04387	0.7
147.06525	0.7
151.07518	0.2
153.01872	1.2
165.01826	0.5
168.00571	1.6
169.05000	0.2
177.05467	0.2
183.02890	0.3
184.05298	0.2
185.05995	0.3
186.01651	0.8
187.06003	0.2
207.06537	0.5
212.04660	0.3
213.05452	0.4
231.06514	0.3
239.09143	0.6
240.04390	0.4
241.04944	0.6
243.08583	0.3
255.06543	0.4
257.04388	0.3
258.05234	1.3
268.03757	0.3
269.04459	0.4
283.06039	0.3
285.03940	2.5
286.04736	43.2
287.05511	47.8
288.05792	0.7
293.12302	0.2
299.05588	0.3
301.07080	100.0
302.07416	2.2
329.06558	0.2
353.06494	0.2
449.10904	1.3
463.12415	5.5
486.24057	0.2
491.33105	0.2
509.08408	0.2
634.53278	0.2
741.54486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2237
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03948	0.1
55.01885	0.1
55.05516	0.6
56.87320	0.1
57.03440	2.0
59.04998	0.2
61.02929	1.3
62.18674	0.1
67.05510	0.1
68.99809	0.3
69.03431	0.7
70.05486	0.2
70.05871	0.2
71.01360	0.2
71.04998	12.2
73.02927	1.0
75.04498	0.6
81.03407	0.3
83.04984	3.1
84.08153	0.1
85.02908	15.4
87.04467	0.3
91.03966	0.8
95.04967	0.5
97.02889	0.9
97.06538	0.2
99.04458	0.5
101.06008	0.1
103.03963	0.2
105.03401	0.3
107.04951	0.3
109.02889	0.5
109.06544	0.1
111.00813	0.5
111.04446	2.2
113.06028	0.3
115.03900	0.1
117.05511	0.4
118.70567	0.1
121.02876	1.6
127.03933	1.0
129.05486	5.0
129.91656	0.1
133.02856	0.5
135.04439	0.2
137.02324	0.5
145.04990	0.5
145.06505	0.1
147.04469	0.4
147.06528	2.0
151.07523	0.1
153.01834	2.3
153.05486	0.7
157.05017	0.2
157.06477	0.3
159.06500	0.2
161.06047	0.1
163.06056	0.6
165.01843	1.2
171.04430	0.1
171.06583	0.3
173.05917	0.1
175.07570	0.1
183.02911	0.7
183.06569	0.1
185.06013	0.2
189.05484	0.1
189.07463	0.1
193.08423	0.1
194.02003	0.1
195.06644	0.1
201.07579	0.3
213.05498	0.9
213.07599	0.2
231.06577	0.6
239.09186	1.0
241.04918	0.6
255.08784	0.2
257.10205	0.4
258.05215	0.7
259.06107	0.3
269.04453	0.2
273.09747	0.1
275.11285	0.4
286.04749	0.1
287.05508	100.0
288.05853	1.6
293.12369	0.3
299.05463	0.5
301.07095	0.2
325.07181	0.1
329.06577	0.7
353.06476	0.3
379.08102	0.1
397.09177	0.3
413.08517	0.2
415.10651	0.1
431.09766	0.2
433.11160	0.5
449.10846	2.1
467.47858	0.1
692.02393	0.1
740.37799	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	741.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.01863	0.2
55.05509	0.2
57.03445	1.0
59.05001	0.1
61.02920	0.2
65.03662	0.1
65.03938	0.6
65.83366	0.1
67.80513	0.1
68.99791	0.5
69.03415	0.2
69.19658	0.9
71.01359	0.1
71.04999	6.7
73.02930	0.2
73.52558	0.1
75.04500	0.2
79.05491	0.1
81.03436	0.5
83.04984	0.4
83.15530	0.1
85.02911	8.6
87.04459	0.3
91.05488	4.1
95.05003	0.1
95.07476	0.1
97.02904	0.9
98.20698	0.2
105.03398	0.2
107.04976	0.5
109.02885	0.4
111.00815	0.5
111.04447	0.5
119.04953	10.6
121.02874	2.1
123.04451	0.1
124.83343	0.1
127.03922	0.7
129.05487	1.9
133.02843	0.5
137.02359	0.8
141.06964	0.2
143.97380	0.1
145.04912	0.1
145.06554	0.2
147.04417	50.0
148.04730	0.5
153.01833	2.9
157.06538	0.4
165.01859	1.4
165.05484	2.4
171.04433	0.2
177.05486	0.1
183.02892	0.8
185.06013	0.5
187.07442	0.1
189.05577	0.1
197.05943	0.2
201.05469	0.1
203.07127	0.2
209.36119	0.1
211.54951	0.1
213.05469	0.8
218.32990	0.1
218.58885	0.1
222.16034	0.1
231.06548	0.9
241.05045	0.7
258.05331	0.9
259.06003	0.4
269.04327	0.2
273.07434	0.2
275.09259	0.2
286.04816	0.3
287.05508	100.0
288.05820	1.6
291.08676	0.8
293.10242	0.3
301.07047	0.4
309.09729	2.1
317.50525	0.1
329.06464	0.3
429.96918	0.1
455.15103	0.1
577.13550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2029
Annotation	Rhamnocitrin 3-(5'''-p-coumarylapiosyl)-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03955	0.3
57.03429	0.3
58.50423	0.2
65.03941	2.1
66.87552	0.2
67.05505	0.6
68.99796	0.6
69.03436	0.8
70.04272	0.5
70.04670	0.5
71.04994	2.0
73.02926	0.3
74.59725	0.2
78.10796	0.2
79.05492	0.6
81.03423	0.6
81.07056	0.4
83.04987	0.3
83.08595	0.3
85.02908	2.7
87.04435	0.2
91.05486	5.4
93.03424	1.8
93.07084	0.4
95.04971	0.6
95.08612	0.5
97.02897	30.9
97.06506	0.2
103.05483	0.4
107.04959	0.8
107.08604	0.4
109.02897	0.4
109.10169	0.3
111.04448	0.3
115.05450	0.5
117.07018	0.3
118.04201	0.7
119.04950	12.9
119.08578	0.5
120.19990	0.2
121.02872	1.9
121.10138	0.4
125.02385	0.4
127.03913	0.7
128.06239	0.8
129.05484	0.4
129.07016	0.3
131.04933	1.5
131.08578	2.1
133.02869	0.2
133.10155	0.6
139.03938	0.3
140.01088	0.5
141.07021	1.9
143.08565	0.4
144.05714	1.3
145.02847	0.5
145.05038	0.3
145.06491	0.4
147.04419	57.6
148.04735	0.5
149.02321	2.1
152.06166	0.4
153.01814	0.6
153.07062	0.5
157.06488	1.5
158.07278	0.5
159.04498	0.3
159.08066	10.4
163.14751	0.2
165.01906	0.3
165.05463	0.4
167.03412	10.2
168.00545	2.7
169.01353	0.4
169.06474	3.6
169.07675	0.4
171.08029	1.3
177.05455	1.0
183.02916	0.2
184.05272	0.5
185.05943	1.3
185.34300	0.2
186.01633	1.5
187.07555	4.7
197.05998	3.9
198.80336	0.2
199.07487	0.3
201.05528	0.3
205.05020	0.4
207.06563	0.3
212.04645	0.5
213.05394	0.3
215.07048	8.3
215.09149	0.4
225.05446	0.5
229.04990	0.5
240.04202	0.5
241.04903	0.7
243.06511	2.1
248.54414	0.3
255.06670	1.3
257.04422	0.3
258.05301	1.7
261.07605	17.9
262.07852	0.4
268.03629	0.7
269.04462	1.1
279.08707	1.6
284.69489	0.3
285.03995	4.9
286.04733	60.0
287.05493	14.1
287.08875	0.3
288.05786	0.6
291.08633	0.4
301.07077	100.0
302.07376	1.9
303.04947	2.4
309.09674	1.5
325.10352	0.2
343.07965	0.4
372.99414	0.2
463.12415	1.4
571.19244	0.3
692.10181	0.2
762.27728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2028
Annotation	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
53.03944	0.1
55.01883	0.1
55.05524	0.1
57.03436	1.0
61.02926	0.1
63.02423	0.1
65.03933	0.8
68.99796	0.4
69.03437	0.2
69.77932	0.4
71.04997	6.4
73.02924	0.2
75.04455	0.1
79.05494	0.2
81.03433	0.3
83.04980	0.6
85.02909	7.3
87.04475	0.2
91.05484	5.4
97.02882	0.5
99.04432	0.2
105.03391	0.1
107.04978	0.6
109.02875	0.3
111.00794	0.6
111.04477	0.5
111.73827	0.1
119.04948	12.2
120.05275	0.1
121.02870	2.0
122.89851	0.1
123.04456	0.1
127.03921	0.4
129.05496	1.8
129.06956	0.1
133.02849	0.3
133.06477	0.1
135.04449	0.1
137.02342	0.6
145.06508	0.2
147.04416	50.9
148.04794	0.6
153.01836	3.0
157.06482	0.3
161.05962	0.3
165.01849	1.5
165.03151	0.2
165.05450	0.6
171.04443	0.2
173.06003	0.1
175.03903	0.2
177.05470	0.2
183.02885	0.9
185.06020	0.4
187.07710	0.1
189.05446	0.1
201.05589	0.2
203.07016	0.1
213.05482	1.5
227.06876	0.1
229.04872	0.1
231.06509	1.1
241.04944	0.6
243.06645	0.2
258.05276	0.9
259.06033	0.4
269.04440	0.1
271.05939	0.2
273.07654	0.3
275.09128	0.3
286.04752	0.2
287.05505	100.0
288.05847	1.7
291.08627	1.5
293.10199	0.4
309.09665	1.6
329.06558	0.2
577.12994	0.2
595.14471	0.1
604.72198	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	741.2025
Annotation	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
53.03949	0.2
55.05502	0.1
57.03442	1.1
57.41904	0.1
59.04993	0.1
61.02912	0.2
65.03944	0.5
68.99816	0.5
69.03426	0.3
69.23713	0.5
69.24138	0.4
71.05000	7.6
73.02919	0.2
75.04475	0.3
79.05525	0.2
81.03435	0.4
83.04981	0.7
83.63937	0.1
84.00376	0.1
85.02911	11.1
87.04472	0.3
89.77724	0.1
90.11909	0.1
91.05484	4.4
95.04999	0.1
97.02897	0.9
99.04414	0.2
105.03399	0.2
107.04970	0.4
109.02879	0.6
111.00816	0.5
111.04456	0.4
117.07059	0.1
119.04950	10.9
121.02866	2.4
125.02351	0.1
127.03897	0.6
129.05492	1.7
132.85703	0.1
133.02838	0.4
137.02333	0.6
145.04970	0.2
147.04419	49.0
148.04744	0.6
153.01843	2.9
157.06535	0.3
161.06056	0.1
165.01855	1.3
165.05489	1.3
169.06410	0.1
171.04405	0.2
177.05574	0.1
178.72028	0.1
183.02911	0.8
185.06024	0.4
189.05475	0.2
197.06009	0.1
197.45799	0.1
203.07065	0.3
212.04567	0.1
213.05473	1.2
226.84128	0.1
231.06543	0.9
241.04999	0.7
258.05234	1.0
259.06058	0.3
269.04425	0.2
279.93652	0.1
286.04590	0.1
287.05511	100.0
288.05856	1.8
291.08636	0.5
293.10284	0.2
299.05469	0.4
301.07104	0.3
309.09732	1.4
329.06543	0.2
353.06451	0.1
381.09814	0.1
395.07828	0.1
455.15140	0.2
577.13550	0.2
595.14301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.1
53.03954	0.2
55.01867	0.2
57.03192	0.2
57.03447	1.6
61.02925	0.4
65.03923	0.5
68.99828	0.3
69.03432	0.7
69.27701	0.5
69.28131	0.4
71.01376	0.2
71.05001	8.9
73.02918	0.3
74.01145	0.1
75.04474	0.3
77.70175	0.1
79.05495	0.1
81.03431	1.0
83.05001	0.8
85.02914	16.0
86.03242	0.1
87.04477	0.5
89.06045	0.9
91.05492	3.8
97.02906	2.2
99.04478	0.4
105.03400	0.2
107.04972	0.3
109.02238	0.2
109.02898	1.4
111.00826	0.7
111.04457	0.6
119.04958	10.6
121.02886	2.4
123.04461	0.1
127.03932	1.2
129.05489	2.4
133.02866	0.3
133.08612	0.7
135.04410	0.1
137.02377	0.5
142.87564	0.1
145.04967	0.9
145.06499	0.3
147.04425	48.0
148.04779	0.4
153.01851	2.6
157.06563	0.3
161.05957	0.1
165.01852	1.5
165.05490	1.7
171.04413	0.2
175.47394	0.1
177.05504	0.2
177.11229	0.3
183.02892	0.9
183.99026	0.1
185.06026	0.4
189.05591	0.2
197.06084	0.2
203.03552	0.1
203.07120	0.2
213.05473	1.0
231.06525	0.6
241.04987	0.7
255.08702	0.1
258.05273	0.9
259.06073	0.5
269.04474	0.2
271.05994	0.2
275.09067	0.2
286.04706	0.3
287.05524	100.0
288.02640	0.1
288.05814	2.0
288.08835	0.1
291.08694	0.3
293.10315	0.2
299.05670	0.4
301.07132	0.4
309.09726	2.0
316.05811	0.1
329.06589	0.2
331.08194	0.4
341.27405	0.1
353.06680	0.2
365.06488	0.3
366.36053	0.1
395.07703	0.2
455.15570	0.6
498.28702	0.1
577.13348	0.2
595.14526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91970	0.8
53.03946	4.3
55.01884	6.7
55.05272	1.8
55.05520	24.4
55.24177	0.9
57.03448	17.5
57.07069	2.9
59.05003	3.7
61.02945	5.6
65.03942	2.8
67.05515	52.5
69.03426	2.6
69.07074	13.7
70.91165	2.5
71.04980	4.0
73.02900	1.3
79.05505	43.4
81.03432	9.7
81.07069	56.3
83.01347	8.3
83.04993	12.4
83.08635	14.9
85.02917	8.6
85.06538	3.0
91.03951	1.9
91.04979	1.7
91.05495	25.2
93.07058	56.0
95.04991	6.3
95.08617	39.0
97.02916	5.6
97.06538	6.1
97.10174	4.3
99.04458	3.9
99.08070	1.2
105.07047	19.4
107.04981	7.7
107.08613	29.9
109.06536	7.5
109.10168	15.8
111.04464	2.9
111.08063	2.2
117.07034	10.1
119.08604	15.6
121.06515	3.0
121.10163	20.5
123.08083	8.7
123.11707	3.9
125.06005	1.8
125.09631	4.3
129.05440	1.3
129.06995	1.7
130.07776	1.4
131.08598	9.9
133.10155	8.2
135.08043	2.1
135.11719	19.5
137.09619	2.1
137.13231	1.5
143.08546	1.7
145.06520	1.3
145.10143	18.3
147.08052	1.7
147.11714	7.3
149.09529	1.4
149.13257	5.8
153.12755	3.9
155.08546	1.4
159.11700	5.9
161.13264	3.0
163.11188	20.8
163.14815	4.9
169.10107	1.1
173.09621	3.2
173.13287	6.2
175.14821	1.5
181.12292	3.7
185.13313	1.6
187.14830	3.1
189.11313	2.2
191.10698	3.4
199.14819	1.7
201.27776	1.0
209.11749	8.0
211.13223	1.5
227.12787	9.8
235.97963	0.9
243.21147	5.3
259.20685	1.4
261.22174	18.1
273.22241	1.2
279.23111	1.2
283.15433	96.2
284.15833	1.6
299.23682	4.1
317.24841	4.8
333.24472	2.7
335.25845	100.0
336.26181	3.2
451.31973	2.7
469.32968	2.3
487.34161	1.3
525.35724	4.8
543.36890	79.7
544.36932	3.2
561.37866	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	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01881	5.9
55.05274	1.1
55.05519	16.7
57.03199	1.1
57.03448	12.6
57.07063	2.0
59.04978	2.6
61.02940	5.5
64.49899	0.7
65.03945	1.5
66.76144	0.6
67.05513	39.2
69.03430	1.8
69.06739	0.8
69.07078	9.1
70.76214	0.9
70.76579	1.2
71.01363	1.2
71.04996	4.2
71.08617	0.6
72.08152	3.0
73.02930	1.4
79.05502	33.1
81.03425	9.3
81.07068	40.5
83.01342	6.5
83.04983	9.6
83.08628	11.9
85.02912	6.9
85.06544	1.3
91.03947	1.4
91.05492	20.4
93.07055	38.9
95.04988	6.3
95.08616	30.3
97.02921	3.2
97.06554	4.8
97.10149	3.1
99.04471	2.3
103.05499	0.9
104.28943	0.7
105.04488	0.9
105.07040	15.8
107.04969	6.3
107.08607	19.8
109.06536	5.7
109.10172	10.2
111.04427	2.3
111.08082	2.1
111.11741	1.0
117.07027	8.4
119.08595	12.6
121.06512	2.6
121.10161	17.2
123.08076	6.4
123.11726	4.1
125.05994	0.9
125.09620	2.8
127.03954	0.9
129.07010	1.1
130.07805	1.5
131.08585	8.3
133.10118	6.8
135.08067	2.4
135.11708	15.7
137.09659	1.9
137.13272	1.5
143.08559	1.8
145.06480	1.0
145.09062	1.2
145.10143	17.0
147.08090	2.3
147.11691	4.8
149.09657	1.1
149.13274	4.4
151.14822	0.7
153.12772	3.5
155.08545	1.2
159.11713	4.9
161.13301	3.6
163.11208	20.4
163.14839	2.7
171.11728	0.9
173.09628	2.8
173.13214	4.8
175.14854	0.7
181.12259	2.6
184.07370	2.3
185.13312	0.9
187.14845	2.1
189.11212	1.2
191.10638	2.0
193.12268	1.8
209.11687	7.0
211.13295	1.6
227.12828	9.6
243.21089	4.6
259.20642	1.6
261.22171	10.5
267.15955	1.0
273.22208	0.6
281.22849	0.9
283.15433	100.0
284.15802	2.0
299.23666	3.2
317.24710	3.6
330.82724	0.7
333.24469	1.6
335.25839	68.6
336.26273	2.1
393.88333	0.7
433.31119	1.4
451.32053	3.7
455.72070	0.7
469.33243	2.3
525.35840	4.6
543.36884	49.3
544.37250	2.1
561.37750	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.01884	2.5
55.05517	11.1
57.03446	8.5
57.07050	1.4
60.99374	0.4
61.02903	1.3
65.03912	1.4
67.05511	34.9
68.69688	0.3
69.03400	1.3
69.07076	9.5
69.28762	3.1
71.04982	2.3
71.08618	0.4
73.02879	1.0
77.03902	0.6
79.05499	30.5
81.03388	1.6
81.07064	34.6
82.07366	0.5
83.01363	0.5
83.04992	2.2
83.08624	8.5
85.02888	1.3
85.06527	1.1
91.03930	0.6
91.05487	13.1
91.15443	0.3
93.07053	40.4
95.04456	0.4
95.04974	5.0
95.08615	42.4
95.67560	0.4
96.18101	0.3
97.02869	1.6
97.06542	3.2
97.10141	1.7
97.50440	0.4
98.20816	0.8
99.04466	3.2
99.08074	0.7
103.05435	0.6
105.04530	0.9
105.07042	9.8
107.04978	4.8
107.08603	26.6
109.06509	2.3
109.10162	10.5
111.04417	0.9
111.08046	1.1
113.05961	0.5
117.07027	7.1
119.07816	0.6
119.08596	10.3
121.06516	4.0
121.10153	15.4
123.08073	0.9
123.11713	3.0
125.05998	1.9
125.09563	0.4
127.07491	0.5
129.06944	0.4
130.07756	1.2
131.08572	4.0
133.10156	5.2
135.08015	1.2
135.11703	36.4
137.09573	0.7
137.13254	0.6
139.07530	0.8
145.10139	21.4
147.11713	2.8
149.13289	2.9
153.12749	1.0
159.11639	2.0
161.13261	1.8
163.11195	40.1
163.14801	1.3
164.11517	0.7
173.09648	0.6
173.13297	1.7
175.14809	1.0
177.16457	0.6
181.12260	7.0
184.07291	0.6
187.14850	0.9
201.16461	0.4
209.09908	0.4
209.11636	1.8
212.53920	0.4
227.12798	46.8
243.21223	1.9
261.22168	7.0
283.15421	48.5
284.15686	0.7
317.24744	2.1
335.25821	100.0
336.26218	2.2
418.28009	0.4
451.31665	0.4
469.32999	0.5
543.36859	80.9
544.37329	3.4
545.48041	0.4
591.88068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01863	3.2
55.05516	13.8
57.03440	9.7
57.07045	1.5
61.02910	1.4
65.03912	1.5
67.05506	39.9
69.03394	2.2
69.07072	12.5
70.95799	0.6
70.96126	0.9
71.05004	2.8
73.02888	1.2
77.03916	0.9
79.05495	41.2
81.03389	2.5
81.07061	46.1
83.01329	0.6
83.04976	3.9
83.08167	0.7
83.08620	10.6
85.02873	1.4
85.06514	1.9
91.03898	0.5
91.05484	16.0
93.07048	52.9
94.07327	0.7
95.04990	6.1
95.08611	53.3
97.02901	4.8
97.06522	5.0
97.10127	1.9
99.04459	4.0
99.08054	1.4
103.05442	1.3
105.04498	0.9
105.06413	0.9
105.07036	12.0
107.04957	8.3
107.08601	39.6
109.06554	2.8
109.09473	0.9
109.10158	14.4
111.04413	1.4
111.08065	2.0
115.05437	1.1
117.06253	0.8
117.07024	10.2
118.16277	0.5
119.08586	14.9
121.05795	0.5
121.06516	4.9
121.10152	21.3
123.08040	2.0
123.11707	3.4
125.05981	2.8
127.07513	0.6
129.06920	1.0
130.07764	1.6
131.08585	6.3
133.10133	7.1
135.08049	1.7
135.11697	54.2
136.12022	0.6
137.09662	0.7
137.13220	0.9
139.07555	1.5
145.10129	29.5
147.11690	2.8
149.13228	3.4
153.12706	1.3
157.10042	0.5
159.11699	2.4
161.13171	1.7
163.11188	59.4
163.14832	1.8
164.11516	0.6
173.09630	1.3
173.13214	3.2
177.16360	0.9
181.10760	1.0
181.12238	10.6
187.14835	0.8
209.11723	2.5
227.12788	70.2
228.13107	0.8
243.21109	2.6
261.22174	8.1
283.15408	100.0
284.15726	1.2
289.49902	0.6
304.50079	0.6
317.24725	2.4
335.25812	95.8
336.26208	1.9
346.57098	0.6
377.80029	0.6
418.02057	0.6
469.33377	0.7
525.35455	0.8
543.36847	91.6
544.37115	2.5
561.38336	1.0
728.02722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.0
56.05028	3.5
57.07077	7.1
58.06604	1.0
60.04535	67.7
66.13796	1.1
67.05515	14.4
69.07079	12.7
70.02974	1.3
70.06586	3.4
71.08633	3.1
71.43517	2.1
72.04517	3.8
74.06068	2.4
79.05495	7.7
81.03424	3.9
81.07059	12.6
82.06580	3.1
83.04978	1.2
83.08632	9.0
85.10193	1.7
86.06083	2.3
90.05561	3.2
91.05490	8.9
93.07057	9.1
94.06561	5.5
95.04961	1.6
95.07362	1.9
95.08612	13.2
96.08127	2.1
97.06580	1.3
97.10197	5.4
98.06084	1.7
100.07623	1.2
105.07050	6.3
107.08602	4.8
108.08130	2.0
109.10197	6.2
111.11687	2.1
112.07542	1.4
119.08601	5.3
121.10208	6.0
121.10912	1.2
122.09708	1.2
123.08066	2.1
123.11722	2.4
126.09093	1.3
133.10114	5.2
135.11739	2.9
137.09671	2.1
147.11708	3.4
149.13313	1.5
227.38466	1.5
245.22719	3.4
250.25334	2.9
262.25351	25.4
263.23663	5.3
268.26483	2.1
272.25925	6.5
280.26385	26.0
298.27463	8.3
314.26877	4.0
333.81760	1.3
336.82556	1.1
344.28009	2.0
462.54086	1.1
504.46707	1.6
516.47937	6.2
534.48950	15.8
552.49915	100.0
553.50714	2.2
570.50983	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	732.5622
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03949	1.2
55.01892	0.9
55.05513	9.1
56.05038	4.1
57.03440	0.8
57.07086	5.3
58.06624	0.6
60.04531	72.0
65.03938	0.7
67.05513	13.7
68.05032	0.8
69.07072	11.4
69.80750	2.6
70.06611	2.6
71.05019	0.8
71.08617	3.4
72.04521	4.1
74.06087	1.6
79.05500	9.0
80.05026	1.2
81.03432	2.7
81.07064	14.4
82.06590	2.4
83.05006	1.2
83.08619	7.9
84.04538	0.7
84.08154	1.2
85.02908	1.3
85.10208	1.9
86.06082	2.5
90.05556	3.7
91.05487	8.3
93.07059	8.8
94.06572	4.3
95.04993	2.0
95.07384	1.1
95.08618	13.9
96.08131	3.6
97.06560	1.8
97.10189	5.1
98.06091	1.5
98.21498	0.7
100.07631	1.0
105.07043	5.8
107.08593	4.9
108.08148	1.9
109.06481	0.7
109.10175	6.5
110.09685	0.8
111.08103	1.2
111.11743	1.6
112.07676	1.0
114.09184	0.6
119.08600	4.5
121.10143	5.7
122.09723	1.5
123.08105	1.4
123.11758	1.6
133.10138	5.2
135.11713	3.0
136.11255	0.9
137.09663	1.8
137.13293	1.1
147.11734	2.0
149.13315	1.3
161.13315	1.1
163.14848	0.7
219.21205	0.9
233.22742	1.0
238.25337	1.3
245.22670	3.4
250.25380	2.9
252.26901	0.9
254.24988	0.7
262.25330	28.5
263.23688	4.7
266.24817	1.0
268.26389	1.0
272.25854	5.3
280.26373	26.8
298.27423	8.9
314.26926	2.7
316.28549	1.6
344.28003	0.8
401.44778	0.6
467.60480	0.6
504.47424	0.6
516.47717	3.3
534.48840	14.9
552.49933	100.0
553.49976	3.9
570.50946	44.3
571.51093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.8
69.74485	1.9
69.74874	0.6
75.61259	0.3
79.44334	0.3
82.99862	1.1
85.02909	1.0
88.54866	0.3
89.00906	0.6
95.80177	0.4
97.01396	0.6
97.02898	1.1
98.20862	0.7
98.97591	0.8
101.00883	4.8
113.00894	1.5
115.02438	1.9
115.03942	0.4
117.04042	0.3
119.01927	4.7
123.11736	0.3
127.01486	0.4
127.02429	8.6
129.00339	0.5
131.01938	2.5
133.03467	1.0
135.01381	0.4
137.00873	1.9
139.02370	2.3
143.01904	5.6
145.03473	20.1
146.08200	0.4
147.01390	1.0
153.02289	0.5
155.01898	11.8
157.03468	10.0
159.01410	0.5
159.05054	1.0
161.02960	4.0
161.05975	0.3
163.04536	1.0
167.01897	4.7
169.03488	3.8
171.01445	0.6
171.05089	0.8
172.11459	0.4
173.02974	8.0
174.03094	0.5
175.04532	3.0
177.02420	0.4
181.03496	1.0
183.05051	0.6
185.02975	10.1
187.04510	2.2
191.04181	0.5
193.03560	0.7
197.02989	3.2
199.04517	1.4
201.06036	0.6
203.04019	5.8
209.03026	1.9
211.04575	1.6
215.04010	3.1
217.05692	1.0
221.02940	1.5
221.05109	2.8
223.04562	0.7
227.04044	2.5
229.05508	0.6
235.06642	25.3
236.06963	0.8
239.04065	1.9
241.05496	0.9
245.05064	0.5
253.07700	11.7
257.05206	2.0
258.08356	0.4
259.06653	1.2
269.05066	1.2
271.06628	1.3
277.07724	0.8
287.06158	1.5
289.07831	1.2
291.09314	1.2
299.06052	0.8
301.07693	6.6
316.97546	0.4
319.08755	37.8
320.08884	1.0
331.08762	2.5
349.09814	100.0
350.10043	3.2
367.10901	7.3
390.12357	0.4
408.62808	0.8
409.11942	31.7
409.61072	0.4
410.07092	0.5
410.12177	0.7
533.42133	0.4
547.47565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.9
55.05500	3.1
57.03425	0.7
57.07078	76.8
59.04709	1.0
59.05004	15.6
62.27658	0.7
67.05511	1.3
69.07066	2.9
71.08633	54.6
71.52294	0.7
71.73636	0.7
73.02908	1.0
73.06214	0.7
73.06556	4.0
75.45548	0.7
79.05521	1.1
81.07051	2.6
83.08624	2.9
85.10186	45.0
87.03937	0.8
87.04472	16.2
89.06035	100.0
91.05484	1.0
91.07612	0.8
93.07067	1.1
95.08631	1.0
97.02935	0.8
97.10178	2.1
99.11743	6.6
103.07600	7.3
105.07014	1.5
107.07115	1.6
107.08646	1.1
109.10165	0.8
111.11732	0.8
113.07964	0.8
113.13260	1.7
117.09126	4.1
121.10149	0.9
130.08614	3.4
131.07050	6.3
133.08607	77.3
134.08995	0.7
135.10201	1.4
141.16388	2.8
155.17966	4.5
161.09676	1.2
161.11826	1.0
175.09657	4.9
177.11237	33.3
187.24510	0.7
199.20634	2.0
213.22176	4.8
219.12363	2.2
221.13866	7.5
225.11340	1.0
239.14900	1.9
239.23845	0.7
257.24747	4.9
265.16562	1.6
283.17639	3.2
299.14905	5.9
309.19113	1.5
311.25876	5.3
327.20230	1.7
353.21783	1.5
371.22815	1.5
397.24405	1.8
415.25427	1.8
459.28214	2.1
485.29623	1.6
503.30618	9.3
535.36133	3.5
543.33881	1.9
686.01398	0.7
715.52075	2.3
732.54773	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	732.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.07080	100.0
57.58976	0.7
58.37349	0.7
59.05005	31.3
67.05496	1.1
68.94263	0.7
69.07067	3.0
71.08636	97.3
71.52077	1.1
73.02919	0.9
73.06555	2.1
83.08629	3.8
85.10189	93.9
86.10487	0.8
87.04471	13.6
89.06036	82.6
95.08626	1.0
97.10182	1.6
99.11742	10.4
100.45667	0.8
101.09667	3.6
102.32008	0.8
103.07590	1.3
107.07063	1.7
107.08617	0.8
109.10118	0.9
117.09149	7.7
127.25797	0.7
130.08643	2.8
131.07036	5.4
133.08614	70.9
135.10265	0.8
141.16383	12.0
144.52525	0.8
147.10118	1.0
150.28566	0.7
162.68178	0.8
175.09636	6.1
177.11240	30.6
183.81850	0.8
191.12747	1.3
195.58131	0.8
199.20580	23.5
219.12277	2.3
221.13855	6.3
223.15450	0.8
236.20384	0.9
238.92938	0.8
239.14870	1.2
240.23132	2.8
257.24789	12.8
265.16428	2.2
267.07874	1.0
283.17569	2.1
309.19037	1.4
310.91101	1.0
327.20227	1.3
353.21558	2.2
415.25208	2.5
441.26581	1.2
459.28085	17.0
499.31140	2.5
517.32208	1.0
535.36810	0.8
661.51068	0.8
715.51752	1.4
732.43164	1.0
732.54834	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	730.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.03439	2.5
57.07080	100.0
59.05008	37.9
69.07068	2.3
69.51841	4.9
71.08638	70.5
73.43687	0.9
73.59964	1.0
83.08609	3.0
85.10190	59.0
87.04453	4.0
89.06039	28.3
97.10150	3.0
99.11749	10.4
101.09656	3.0
103.07559	1.2
113.13299	4.7
117.09136	13.8
125.13244	1.2
133.07668	1.6
133.08620	21.1
139.45480	0.9
147.61934	1.0
155.17950	9.9
174.86232	1.0
177.11249	8.0
213.22156	21.3
254.24777	2.2
271.26346	28.2
283.17490	1.3
327.20212	7.4
329.30396	2.9
367.23380	1.1
385.24377	3.2
425.27438	1.5
443.28430	1.8
540.74011	1.6
699.29968	1.5
730.56549	5.8
743.72534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88969	0.5
53.03938	0.9
55.05516	0.9
57.03429	1.5
57.07071	2.1
59.05005	1.7
60.61133	0.6
61.02937	4.5
67.05500	5.5
69.03417	1.9
69.07078	1.4
69.27570	5.4
71.01351	1.0
71.08639	1.7
73.02928	4.8
73.63428	0.6
76.01196	0.6
79.05500	3.0
81.03421	1.8
81.07056	5.1
85.02897	4.3
85.10198	1.8
87.04469	1.1
89.06052	0.8
91.03938	3.3
91.05493	2.6
93.07066	4.9
95.08618	3.7
97.02883	3.1
99.04446	1.0
101.02426	1.3
104.47831	0.6
105.07042	1.5
107.08613	2.1
109.02964	0.6
109.10178	1.5
119.08612	1.3
121.10178	1.6
124.08516	0.6
124.54768	0.6
131.08611	0.9
133.10049	0.9
135.11717	1.0
149.13245	0.9
159.29660	0.7
235.13086	1.2
243.08514	2.1
335.25696	1.2
453.21091	4.4
519.29272	5.9
731.43445	100.0
732.43494	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	728.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99063	1.4
53.03942	3.6
55.01864	3.0
55.05518	10.0
57.03424	7.3
57.07064	2.6
61.02925	2.6
65.03944	2.2
67.05508	43.0
67.72481	1.4
68.55418	1.4
69.03419	3.7
69.07075	9.5
70.27043	1.4
71.04996	2.0
71.08643	1.8
71.52267	1.6
75.49264	1.8
77.82690	1.7
79.05495	23.1
81.03424	2.8
81.06597	2.3
81.07063	40.1
83.04955	4.8
83.08620	5.3
85.02881	4.3
85.06541	3.8
86.09688	2.9
91.04923	1.6
91.05488	29.5
93.06483	2.4
93.07046	27.5
95.04952	4.7
95.08608	18.5
95.24070	1.6
97.06522	2.7
99.04456	1.5
105.07040	23.1
107.08598	26.0
109.06509	3.3
109.09476	2.8
109.10162	40.4
117.07015	3.9
119.08624	8.0
121.10135	7.8
123.08090	2.9
123.11712	8.8
124.99965	2.0
127.07549	1.6
131.08607	4.2
133.10136	44.1
133.61949	1.5
135.11696	5.8
145.10121	2.5
149.13268	2.7
151.11189	18.9
161.09631	1.9
169.12279	4.3
184.07362	4.7
215.12823	2.0
253.14366	100.0
261.22165	11.0
271.15396	34.8
319.91577	1.6
335.25806	54.2
439.31815	1.8
513.35608	6.6
531.36865	52.0
630.32861	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01858	0.5
55.05508	1.2
57.03442	2.0
59.04992	0.5
61.02932	4.0
64.06381	0.3
67.05511	3.0
69.03440	3.3
69.07075	1.4
71.01337	0.5
71.04992	1.9
73.02919	3.0
74.87363	0.3
79.05502	3.2
83.04987	1.4
83.08622	1.4
85.02905	5.5
85.03380	0.5
85.06553	0.5
87.04449	0.5
91.03959	2.0
91.05486	3.9
93.07043	3.1
95.04964	2.3
95.08606	2.3
97.02892	3.9
97.06553	1.2
99.04466	0.9
101.02396	1.6
103.03939	0.6
105.07043	3.2
107.04962	0.8
107.08616	1.8
107.09248	0.3
109.02900	1.4
109.06550	0.8
109.10170	1.0
111.04453	0.5
111.08098	0.9
113.47974	0.3
115.03927	0.5
115.05460	0.4
119.08562	2.5
121.10126	2.5
123.08086	0.4
123.11757	0.5
123.49757	0.3
127.03902	2.2
127.10838	0.3
129.07019	1.3
131.08578	2.0
133.10136	1.6
135.08159	0.3
135.11697	0.5
137.05949	0.4
139.11308	0.4
142.07779	0.4
142.24590	0.3
145.10133	0.7
147.08145	0.4
147.11673	2.5
149.09642	2.0
149.13330	0.4
155.08624	0.3
157.10158	1.5
159.11734	0.6
161.06212	0.4
162.59573	0.3
163.11226	0.5
165.12749	0.4
167.10754	0.4
173.09689	0.5
175.11197	1.7
177.05482	0.7
179.14435	0.4
181.12146	0.6
185.04297	0.6
193.12274	2.9
211.13364	0.9
213.05472	0.3
225.14925	0.5
243.08391	2.4
251.12631	1.2
267.16055	0.9
277.08252	0.3
283.15088	3.3
286.04807	0.6
301.07260	0.8
307.15244	0.5
339.17841	0.5
463.33612	0.6
469.20474	9.4
501.15942	0.8
501.23132	10.9
502.22534	0.4
639.30084	0.7
729.36664	100.0
730.37109	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	727.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
55.01870	1.2
55.05509	1.8
57.03434	2.3
59.04984	0.9
61.02928	3.9
61.22478	0.4
67.05499	3.8
69.03435	2.9
69.07070	1.8
70.06562	0.5
71.01359	0.6
71.04993	2.0
73.02917	2.6
77.78384	0.4
79.05492	3.6
81.03426	5.6
81.07055	3.8
82.03767	0.5
83.04984	1.2
83.08630	1.0
85.02902	4.6
85.06555	0.5
87.04494	0.8
91.03969	2.3
91.05479	2.8
93.07039	3.8
95.04975	2.2
95.08618	2.3
97.02903	4.4
97.06538	1.2
97.10116	0.5
99.04463	0.8
99.08078	0.4
101.02380	1.6
103.03884	0.5
105.07034	2.8
107.04951	0.9
107.08553	2.1
109.02895	1.4
109.06543	0.8
109.10189	2.2
111.08097	1.1
117.03373	0.6
117.06988	0.6
119.08598	2.4
121.06557	1.0
121.10136	2.3
123.08081	1.3
123.11794	0.6
125.09618	0.6
127.03926	2.1
129.05476	0.4
129.06993	0.6
131.03728	0.4
131.08598	1.5
133.10136	1.2
135.08105	0.7
135.11737	1.2
137.06056	0.6
145.02861	1.3
145.04991	0.5
145.10144	1.5
147.04459	1.1
147.08119	0.5
147.11690	1.5
149.05995	0.4
149.09645	1.5
151.07532	0.7
157.10170	1.3
159.11748	0.6
161.06168	0.4
161.13158	0.5
163.11234	1.9
165.09189	0.5
165.12717	0.5
167.07108	0.4
168.00540	0.8
169.01440	0.6
171.11688	0.6
173.05934	0.4
173.09654	0.7
173.13388	0.5
175.11244	1.2
177.05484	1.9
181.12273	0.6
183.02861	3.1
184.07146	0.4
185.04335	0.6
186.01624	0.6
187.07742	0.4
193.12286	1.8
211.07610	0.7
243.08415	2.6
267.15982	1.2
269.04471	0.4
283.06268	0.7
283.15317	4.2
287.05530	2.9
301.07144	1.2
317.06628	0.7
326.04446	0.5
339.04828	0.5
339.17886	0.6
340.05560	0.4
348.71323	0.4
352.02325	0.4
354.07452	0.8
356.09140	0.6
369.09793	1.8
411.11346	1.0
447.27838	0.8
448.27985	2.3
461.32806	0.5
467.18936	8.6
479.13321	0.5
482.44458	0.4
501.23087	10.0
565.30096	0.6
691.17059	0.5
727.35077	100.0
728.35754	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	727.2085
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.00286	0.0
53.03946	0.1
55.01884	0.2
55.05509	0.4
57.03440	2.6
57.07430	0.0
59.05002	0.1
61.02929	1.5
65.03949	0.1
66.66954	0.0
67.05514	0.1
68.99787	0.4
69.00120	0.1
69.03431	2.3
69.47100	0.2
69.47507	0.1
71.01360	0.4
71.04995	10.4
73.02919	2.6
75.04485	0.7
79.05483	0.1
81.03431	0.4
83.04560	0.0
83.04984	2.0
85.02908	14.5
86.03223	0.1
87.04463	0.5
89.06032	0.2
91.03961	1.0
91.05460	0.0
95.04970	0.3
97.02896	4.0
97.06528	0.1
98.20833	0.1
99.04477	0.3
101.02387	0.1
101.06043	0.1
101.96912	0.0
103.03960	0.2
105.03367	0.2
107.04963	0.3
108.63879	0.0
109.02879	0.4
111.00801	0.5
111.04444	1.3
113.02380	0.2
113.06010	0.1
115.03935	1.9
117.05479	0.1
119.04933	0.1
121.02873	2.0
121.06495	0.1
123.04470	0.1
125.02416	0.1
125.06052	0.1
127.03925	0.9
129.05484	4.1
133.02852	0.5
133.04977	0.4
133.06511	0.1
133.08609	0.1
135.04410	0.2
137.02344	0.6
137.06015	0.1
139.03870	0.2
141.05522	0.1
141.06987	0.1
143.03441	0.1
145.04974	0.5
145.06485	0.1
145.07555	0.1
147.04501	0.5
147.06519	2.0
149.05930	0.1
151.03925	0.1
153.01836	2.7
154.02180	0.1
157.04984	0.2
157.06506	0.3
161.06007	0.1
163.03929	0.1
163.06041	0.6
165.01836	1.3
165.05548	0.1
165.07561	0.1
169.04955	0.2
169.06357	0.1
171.04451	0.2
171.06483	0.2
175.03874	0.1
177.05511	0.1
179.06953	0.1
181.05032	0.0
183.02896	0.5
185.05992	0.3
187.06023	0.1
189.05513	0.1
189.07552	0.1
197.06013	0.1
199.04008	0.1
199.05930	0.1
203.03464	0.1
203.07083	0.1
207.06775	0.1
213.05482	1.0
213.07584	0.1
225.07573	1.4
231.06528	0.6
241.04990	0.7
241.07166	0.2
243.06477	0.1
243.08698	0.4
255.08723	0.2
258.05255	0.9
259.05954	0.4
259.08301	0.1
261.09787	0.2
269.04401	0.2
273.09836	0.1
279.10648	0.3
283.06177	0.1
286.04794	0.1
287.05499	100.0
288.05820	1.9
299.05579	0.5
300.06192	0.1
309.11862	0.1
311.05460	0.1
322.92047	0.1
323.05466	0.1
325.07043	0.1
328.21884	0.0
329.06540	0.6
339.08789	0.1
353.06409	0.4
360.78217	0.1
365.06375	0.1
383.07809	0.1
413.08740	0.1
431.09525	0.3
449.10840	1.8
581.15259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
61.02922	0.2
68.99793	0.3
69.03440	2.1
69.46066	0.9
70.06565	0.1
71.04990	0.6
73.02919	1.2
81.03407	0.3
83.04987	0.2
85.02916	2.5
87.04466	1.0
95.04918	0.2
97.02896	2.9
99.04472	0.2
105.07063	0.2
109.02850	0.3
111.04424	0.3
115.03946	1.9
118.04164	0.2
119.04904	0.2
121.02871	0.3
123.04436	0.1
127.03929	0.8
129.05470	0.4
133.04985	1.5
139.03900	0.4
140.01103	0.2
140.50150	0.2
145.04919	0.2
147.04428	0.2
153.01790	0.3
153.05544	0.1
157.04993	0.2
168.00557	1.5
175.04008	0.1
181.04910	0.2
186.01627	0.6
194.65251	0.2
211.06085	0.4
212.04590	0.2
213.05417	0.2
219.03107	0.1
229.04898	0.2
229.07036	0.2
240.04179	0.3
241.04901	0.2
255.06549	0.4
257.04584	0.2
258.05240	1.0
268.03641	0.4
269.04471	0.4
283.05917	0.2
283.60709	0.1
285.03964	3.0
286.04736	43.4
287.05496	8.3
288.05768	0.2
301.07083	100.0
302.07388	1.8
317.06534	0.3
449.11136	0.2
463.12378	3.8
464.13199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1872
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
51.02396	0.2
53.03946	0.2
54.42028	0.2
55.01879	0.2
57.03444	0.8
59.04982	0.2
61.02912	0.2
65.03933	1.1
67.05502	0.2
68.99820	0.2
69.03433	2.5
69.07068	0.3
70.06573	0.3
70.23804	0.2
70.24146	0.5
71.05004	0.3
73.02919	0.3
79.05496	0.4
81.03415	0.7
81.07074	0.4
83.04977	0.3
85.02911	3.8
87.04471	0.9
91.05484	7.2
93.07046	0.6
95.04986	0.3
95.08604	0.4
97.02895	3.9
99.04445	0.2
105.03432	0.2
105.07053	0.6
107.04966	0.3
107.08611	0.4
109.02895	0.7
111.00842	0.3
111.04356	0.1
115.03942	0.6
117.03429	0.2
119.04948	17.8
119.08607	0.4
121.02887	1.4
121.10149	0.5
127.03929	1.7
129.07024	0.2
131.04889	0.2
131.08591	0.3
133.02876	0.2
133.04967	0.4
133.10168	0.4
135.11699	0.2
137.05969	0.5
137.09637	0.2
145.02876	0.6
145.04930	0.2
145.06429	0.2
145.10138	0.2
147.04417	100.0
148.04753	1.0
149.02301	0.2
149.06027	0.3
149.09616	0.2
153.01822	1.7
157.06548	0.2
159.08078	0.4
163.03876	0.2
165.01868	0.6
165.05542	0.7
167.03426	0.7
167.07100	0.3
173.13234	0.3
175.03944	0.2
177.05524	1.2
183.02875	0.4
185.06024	0.3
187.07578	0.4
189.05629	0.2
197.06061	0.2
201.05524	0.4
207.06575	0.4
209.15375	0.4
213.05449	0.6
215.07028	0.5
231.06522	0.3
241.05025	0.2
243.06622	0.2
249.18573	0.3
258.05249	0.5
261.07550	1.1
277.09070	0.2
279.08728	0.5
285.07617	0.3
286.04977	0.4
287.05511	43.9
288.05862	0.7
291.08667	0.2
299.05582	0.3
301.07047	0.5
309.09689	7.2
317.06409	0.3
323.22131	0.3
325.07034	0.2
329.06531	1.1
341.23267	0.3
353.06558	0.3
365.06702	0.3
368.78235	0.2
395.07687	0.4
423.23685	0.2
441.14148	0.2
515.28650	0.4
565.13104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2074
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01861	0.2
57.03448	0.8
59.04995	0.3
68.99812	0.2
69.03432	3.2
69.11626	0.2
69.47635	0.6
69.48046	0.6
79.05460	0.1
81.03411	0.6
83.04987	0.3
85.02908	2.1
87.04478	1.1
97.02902	2.6
99.04440	0.5
107.04969	0.2
109.02884	0.6
109.06514	0.2
111.04424	0.2
115.03950	2.1
118.04192	0.3
119.04938	0.2
127.03926	4.3
133.04959	2.0
137.05914	0.2
139.03899	0.4
145.04900	0.4
145.07623	0.4
147.04401	0.2
157.04985	0.4
168.00557	1.7
169.01198	0.2
186.01660	0.9
186.47949	0.2
191.14362	0.2
201.65692	0.2
211.06018	0.2
229.04997	0.3
229.07094	0.7
240.04256	0.2
241.04987	0.4
243.00804	0.2
247.08142	0.2
255.06528	0.4
257.04562	0.4
258.05206	1.0
268.03674	0.4
269.04489	0.4
285.03946	3.1
286.04733	44.6
287.05246	1.4
301.07080	100.0
302.07440	1.5
343.08038	0.4
433.11224	1.8
463.12442	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	727.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.2
53.03946	0.2
54.42028	0.2
55.01879	0.2
57.03444	0.8
59.04982	0.2
61.02912	0.2
65.03933	1.1
67.05502	0.2
68.99820	0.2
69.03433	2.5
69.07068	0.3
70.06573	0.3
70.23804	0.2
70.24146	0.5
71.05004	0.3
73.02919	0.3
79.05496	0.4
81.03415	0.7
81.07074	0.4
83.04977	0.3
85.02911	3.8
87.04471	0.9
91.05484	7.2
93.07046	0.6
95.04986	0.3
95.08604	0.4
97.02895	3.9
99.04445	0.2
105.03432	0.2
105.07053	0.6
107.04966	0.3
107.08611	0.4
109.02895	0.7
111.00842	0.3
111.04356	0.1
115.03942	0.6
117.03429	0.2
119.04948	17.8
119.08607	0.4
121.02887	1.4
121.10149	0.5
127.03929	1.7
129.07024	0.2
131.04889	0.2
131.08591	0.3
133.02876	0.2
133.04967	0.4
133.10168	0.4
135.11699	0.2
137.05969	0.5
137.09637	0.2
145.02876	0.6
145.04930	0.2
145.06429	0.2
145.10138	0.2
147.04417	100.0
148.04753	1.0
149.02301	0.2
149.06027	0.3
149.09616	0.2
153.01822	1.7
157.06548	0.2
159.08078	0.4
163.03876	0.2
165.01868	0.6
165.05542	0.7
167.03426	0.7
167.07100	0.3
173.13234	0.3
175.03944	0.2
177.05524	1.2
183.02875	0.4
185.06024	0.3
187.07578	0.4
189.05629	0.2
197.06061	0.2
201.05524	0.4
207.06575	0.4
209.15375	0.4
213.05449	0.6
215.07028	0.5
231.06522	0.3
241.05025	0.2
243.06622	0.2
249.18573	0.3
258.05249	0.5
261.07550	1.1
277.09070	0.2
279.08728	0.5
285.07617	0.3
286.04977	0.4
287.05511	43.9
288.05862	0.7
291.08667	0.2
299.05582	0.3
301.07047	0.5
309.09689	7.2
317.06409	0.3
323.22131	0.3
325.07034	0.2
329.06531	1.1
341.23267	0.3
353.06558	0.3
365.06702	0.3
368.78235	0.2
395.07687	0.4
423.23685	0.2
441.14148	0.2
515.28650	0.4
565.13104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2079
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
53.03947	0.2
55.01876	0.2
55.05515	0.3
57.03441	2.3
61.02932	1.2
68.99799	0.4
69.03086	0.3
69.03437	3.7
69.53944	0.3
69.54363	0.7
71.01364	0.2
71.04998	9.3
72.30956	0.1
73.02924	1.3
75.04469	0.4
79.05499	0.3
81.03402	0.6
83.01358	0.2
83.04990	1.7
85.02912	13.2
85.90135	0.2
87.04475	1.6
91.03960	0.6
95.04948	0.3
97.02902	5.0
97.06478	0.3
98.21095	0.6
99.04465	0.8
105.03386	0.3
107.04955	0.5
109.02871	0.3
111.00812	0.4
111.04449	1.0
113.02393	0.2
115.03168	0.3
115.03941	3.3
117.05495	0.3
121.02113	0.2
121.02880	1.9
123.04405	0.2
125.02384	0.2
127.03899	0.7
129.05495	3.5
133.02879	0.3
133.04973	1.8
137.02382	0.3
139.03914	0.4
145.04956	0.7
147.04454	0.4
147.06523	1.8
153.01826	2.6
157.05035	0.2
157.06516	0.3
163.06044	0.4
165.01866	1.3
169.04921	0.2
171.06561	0.5
183.02902	0.6
185.06023	0.2
207.06583	0.3
213.05583	0.9
221.33875	0.2
225.07607	1.2
231.06506	0.4
241.04955	0.5
243.08713	0.5
246.35524	0.2
258.05258	0.7
259.05945	0.3
261.09711	1.0
279.10806	0.2
287.05515	100.0
288.05832	1.8
299.05557	0.6
325.07309	0.2
329.06540	0.8
353.06555	0.4
383.07306	0.2
404.12347	0.2
449.10916	1.6
457.32297	0.2
460.67047	0.2
540.84851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88475	0.1
53.03947	0.3
55.01879	0.2
55.05518	0.3
57.03434	0.4
59.05012	0.2
65.03949	0.8
66.51083	0.2
67.05516	0.5
68.99808	0.5
69.03438	1.9
69.07066	0.4
70.06779	0.4
71.05000	0.6
71.63431	0.1
73.02917	0.2
73.08424	0.1
79.05479	0.9
81.03422	1.4
81.07061	0.8
83.04977	0.2
84.08147	0.2
85.02917	2.2
87.04475	0.6
89.06018	0.2
91.05489	5.9
93.07055	0.8
95.01430	0.2
95.04987	0.7
95.08617	0.6
97.02898	1.7
97.06534	0.2
99.04461	0.4
103.05461	0.3
105.03397	0.3
105.07038	0.7
107.04968	0.6
107.08587	0.8
109.02876	1.2
109.06541	0.3
109.10161	0.4
111.00813	0.8
111.04417	0.2
115.03964	0.4
115.05471	0.2
116.66557	0.1
117.03379	0.4
117.07035	0.4
119.04957	14.6
119.08582	0.5
121.02862	2.5
121.06522	0.3
121.10144	0.8
123.04456	0.3
123.08073	0.3
123.11702	0.2
125.09623	0.2
127.03931	4.2
129.05470	0.1
129.07037	0.3
131.04939	0.5
131.08598	0.5
133.02882	0.4
133.04996	0.2
133.10152	1.9
135.04422	0.3
135.08035	0.4
135.11720	0.2
137.02376	0.8
137.06004	0.9
137.09621	1.0
141.07074	0.2
143.08643	0.2
145.02823	0.4
145.04961	0.2
145.06490	0.5
145.10138	0.3
147.04422	62.3
147.11716	0.3
148.04736	0.4
149.06041	0.3
149.09627	0.2
149.13251	0.5
151.07567	0.4
151.11215	0.9
153.01852	3.1
157.06534	0.6
159.08081	0.3
161.06009	0.4
163.07607	0.2
163.11186	0.2
165.01837	1.6
165.05466	1.8
165.09155	0.3
165.12776	0.7
167.03473	0.2
167.07079	0.6
171.04431	0.2
173.05986	0.2
173.13278	0.5
175.03886	1.0
175.07568	0.4
177.05502	1.2
177.09186	0.2
177.11292	0.2
178.05893	0.2
179.07149	0.2
181.05006	0.2
183.02911	1.0
185.05998	0.7
185.13441	0.2
189.05550	0.2
191.07057	0.3
191.14349	1.5
193.16008	0.2
201.05582	0.3
203.03510	0.2
203.07103	0.3
205.04961	0.2
207.06552	1.3
209.15355	2.1
213.05513	1.2
231.06580	0.8
241.05000	0.6
252.22501	0.2
258.05191	0.9
259.06042	0.5
261.07709	0.3
269.04309	0.2
271.06079	0.3
279.08667	0.2
286.04724	0.4
287.05518	100.0
288.05862	1.8
291.08740	0.5
299.05667	0.2
301.07083	1.0
303.04953	0.2
309.09744	1.1
315.05051	0.2
329.06577	0.5
337.10629	0.2
355.11993	0.4
453.75284	0.2
727.43036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56171	0.5
55.01833	1.5
55.05466	4.9
57.03392	2.4
57.07045	0.9
61.02888	1.2
67.05511	4.9
69.03436	8.4
69.07073	18.5
69.07419	0.8
71.04956	1.5
71.52181	0.8
73.02869	1.2
73.96540	0.4
74.76501	0.5
79.05499	3.4
80.05811	0.7
81.03422	11.7
81.07059	8.6
82.03714	0.9
82.07380	0.5
83.01334	0.8
83.04933	1.8
83.08624	4.2
85.02911	8.6
85.06486	2.0
87.00864	2.9
91.03897	0.5
91.05486	4.1
92.05776	0.9
93.07047	5.4
94.07361	0.7
95.04978	3.0
95.08615	6.1
97.02895	4.9
97.06537	3.2
97.10121	1.9
98.62833	0.5
98.92638	0.6
99.00760	2.2
99.04454	3.4
105.01820	1.7
105.07029	3.5
107.04903	0.9
107.08591	5.1
109.02883	4.7
109.06506	1.2
109.10165	4.7
111.08044	1.2
111.11676	1.6
113.02337	0.6
117.01823	1.2
117.06967	0.6
119.04940	1.0
119.08521	2.1
120.08906	0.7
121.06426	1.0
121.10168	3.5
123.08006	0.8
123.11660	2.3
125.05977	1.0
125.09576	1.2
127.03934	6.2
129.06909	0.9
131.08559	1.1
132.08931	0.9
133.06529	0.7
133.10077	1.4
135.08025	0.7
135.11630	2.3
137.05971	1.2
137.09529	0.6
141.06897	0.5
142.07687	0.9
145.02879	0.8
145.10065	1.6
147.04369	2.3
147.07982	0.9
147.11673	1.3
149.05914	0.7
149.09557	1.1
149.13196	1.4
151.07512	1.8
151.11060	0.6
153.05421	1.6
153.12721	0.7
155.06989	1.4
157.10146	1.2
159.02884	1.2
161.05875	0.8
161.09540	1.1
163.07486	0.8
163.11143	1.9
163.14806	0.6
165.09091	2.3
167.07042	0.9
175.07542	1.3
175.11240	0.7
177.05499	2.7
177.08994	0.6
178.05939	0.6
179.10684	0.8
181.04955	6.0
183.06470	1.8
189.09122	1.7
191.06998	1.2
191.10649	1.3
193.12250	2.6
194.12570	1.4
195.06549	12.9
201.05502	0.7
205.08607	0.8
205.12248	0.8
207.06427	0.7
209.08109	6.6
211.13251	0.6
223.09645	8.4
229.14319	0.6
235.09601	0.9
237.11292	6.0
249.11191	1.9
251.12799	3.8
263.12711	0.7
265.14191	1.3
267.15909	1.6
268.16275	1.5
277.14322	0.7
279.16031	0.9
283.15594	1.0
286.04843	0.9
287.05432	1.5
293.17471	2.6
301.07123	1.8
305.17548	1.4
315.08380	0.7
319.19110	0.9
321.20667	2.3
386.24246	0.8
404.25574	0.7
417.58432	0.5
441.31076	0.5
459.31583	6.3
460.27884	4.2
477.32205	100.0
478.28839	4.4
478.33771	1.2
615.66327	0.6
639.37512	1.3
671.56238	0.6
714.70996	0.6
725.37451	17.9
726.37469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01861	1.4
55.05516	11.5
57.03439	8.1
57.07075	3.0
59.05000	1.1
61.02928	3.2
65.03931	2.3
67.05508	50.4
69.03425	1.5
69.07071	15.1
69.27057	3.3
69.27483	2.2
71.01343	1.0
71.04990	2.2
71.08625	1.8
73.02909	1.5
79.05495	31.8
81.03425	1.5
81.07062	56.5
83.05000	3.8
83.05409	0.6
83.08627	8.1
85.02918	3.0
85.06535	2.5
91.03965	1.1
91.05481	16.1
93.07047	42.9
95.04984	3.2
95.08611	27.2
97.02930	1.4
97.06542	6.4
97.10170	1.6
99.08089	2.0
101.02388	0.6
105.04571	0.8
105.07037	9.3
107.08599	25.6
109.06509	1.5
109.10157	7.3
110.30580	0.7
111.08093	4.0
111.11668	0.7
115.09463	0.7
117.07019	4.6
119.08591	5.8
121.06514	0.8
121.10150	18.6
123.08049	0.9
123.11697	2.7
131.08568	8.8
133.10136	7.6
135.11687	8.9
137.09659	0.9
137.13194	0.7
139.11168	1.4
142.15468	0.6
145.10123	3.2
147.11684	3.7
149.13271	16.6
149.14395	1.3
159.11702	8.7
161.13235	1.9
163.11220	0.6
163.14824	1.6
173.13293	2.0
175.14815	1.3
177.12799	3.1
189.16257	0.6
195.13779	6.3
211.14940	0.8
243.21100	2.9
261.22107	5.5
267.16068	1.2
269.17484	49.5
270.17871	0.7
278.37289	0.7
287.05902	0.8
317.24771	1.5
335.25800	50.9
336.26443	0.7
455.35254	1.3
529.38910	100.0
530.39178	3.2
547.39984	1.8
726.44965	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01878	2.5
55.05514	13.8
57.03442	14.8
57.07080	2.4
65.93125	2.3
67.05506	42.0
69.07065	11.8
69.39534	12.0
69.39941	4.9
71.04980	3.5
71.08627	2.0
78.71696	1.9
79.05497	51.3
81.03437	11.4
81.07059	45.9
83.04971	15.7
83.08617	5.6
85.06565	2.4
91.05489	56.5
93.07053	41.7
95.04962	8.5
95.08604	25.1
97.06538	3.5
99.08038	2.4
105.07027	29.2
107.04940	7.0
107.08603	15.6
109.06499	4.7
109.10164	9.7
117.07033	5.2
119.08595	21.6
121.10160	10.2
123.11679	2.8
127.07587	2.6
129.07010	10.6
131.08574	16.1
133.10144	31.9
135.11662	6.9
145.10132	4.7
147.11707	13.6
149.09604	3.7
149.13266	5.5
157.10103	11.1
159.11714	3.6
161.02905	2.2
163.11185	2.7
163.14789	3.3
173.13216	3.1
175.11214	8.6
187.14801	2.5
193.12257	11.7
230.13010	2.2
249.26808	2.4
261.22186	11.7
265.14182	4.6
267.15942	100.0
301.07013	3.2
302.07639	2.2
333.24445	2.3
335.25824	30.1
435.32202	4.0
527.37347	61.2
528.36682	2.4
545.38782	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	724.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08253	2.2
53.03946	7.1
55.01876	4.4
55.05308	2.3
55.05519	20.9
57.03443	20.2
57.07072	2.7
61.02930	5.7
64.73636	2.4
65.03927	2.8
65.39670	1.9
67.05510	70.0
69.03420	5.6
69.07079	13.8
69.25531	20.5
70.06585	2.0
71.04966	2.7
79.05495	48.5
80.31713	2.0
81.03421	93.6
81.07062	62.2
83.04996	6.5
83.08617	22.0
85.02918	5.5
85.06552	2.6
88.31924	2.0
91.04007	2.4
91.05484	36.4
93.07053	44.7
95.04973	32.3
95.08607	49.8
97.02871	6.2
97.06534	5.8
97.10175	5.3
98.21557	4.1
99.08107	2.8
102.70915	2.0
105.07040	28.8
107.04949	5.9
107.08595	26.0
109.06552	5.3
109.10145	20.5
110.25900	2.1
111.04471	2.6
111.08088	10.8
116.07095	2.3
117.07016	9.6
119.08590	24.8
121.06506	5.0
121.10173	21.8
123.08125	2.5
123.11713	7.9
125.09622	5.0
129.07018	9.9
131.08603	22.2
133.06439	2.3
133.10144	14.1
135.11710	13.8
137.09590	2.6
145.10162	9.9
147.08060	4.5
147.11719	14.0
149.09656	5.7
149.13258	7.9
157.10141	11.8
159.11745	6.3
161.13292	4.5
163.11263	3.8
163.14816	4.5
165.12807	3.0
173.13237	5.2
175.11194	8.2
177.86841	2.0
189.11134	2.7
193.12244	21.4
227.12796	5.2
235.13289	2.5
243.21037	7.2
249.14880	2.8
261.22098	20.9
267.15933	100.0
301.25421	4.2
309.17136	3.3
317.24942	4.1
335.25806	90.6
336.25726	2.7
340.98383	2.1
435.32886	3.4
453.33612	5.5
471.34674	2.6
527.37347	48.3
545.38324	30.5
569.38696	5.8
595.21790	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
55.05267	0.7
55.05515	8.6
57.03194	0.7
57.03442	9.7
57.96421	0.6
61.68456	0.6
67.05509	14.8
68.56055	0.5
69.03436	3.2
69.07076	3.3
69.48727	4.3
71.05005	2.9
79.05074	1.2
79.05499	16.0
81.03423	67.9
81.06602	0.8
81.07066	16.3
83.04982	7.3
83.08625	18.5
85.02908	8.9
85.06538	1.8
87.04456	0.6
91.05486	18.8
93.07050	10.6
95.04972	23.5
95.08611	5.5
97.02895	3.8
97.06530	1.5
97.10175	5.6
99.08064	0.8
105.07040	13.8
107.04964	6.2
107.08607	7.0
109.06516	4.4
109.10159	3.7
111.04448	2.3
111.08086	7.9
113.05983	0.7
117.07016	2.3
119.04932	1.1
119.08596	13.5
119.09443	0.5
121.06524	3.8
121.10150	6.8
123.08053	2.1
123.11743	0.9
125.09650	3.5
127.07558	0.7
129.07014	10.0
131.04887	0.7
131.08589	10.2
133.06483	2.7
133.10152	6.4
135.08084	1.3
137.09610	1.6
142.07799	3.1
143.08533	1.4
145.06516	3.5
145.10112	2.5
147.08066	3.9
147.11687	9.6
149.09599	5.1
157.06427	1.1
157.10135	11.2
159.08006	1.1
159.11720	1.1
161.09570	0.8
163.11156	1.7
165.12767	1.8
169.10167	0.6
171.08023	1.5
171.11711	0.7
173.09518	0.7
175.11195	12.0
177.05402	0.6
189.11241	1.0
193.12253	33.9
195.11754	1.2
197.13290	1.0
205.12248	0.9
211.13281	14.3
227.12688	1.4
229.14372	1.8
233.15433	0.8
245.15524	0.7
249.14944	1.7
255.13834	1.6
267.15930	100.0
268.16315	1.7
273.14813	4.1
283.15393	1.7
285.16962	14.4
301.14291	0.8
339.23184	0.7
341.21182	1.3
343.28229	0.7
349.21567	2.4
357.24341	0.7
367.22638	8.8
371.37570	0.6
385.23752	8.8
403.24802	3.1
405.24405	0.9
415.25092	0.9
433.25919	14.8
441.26425	7.1
459.27438	77.3
460.27725	2.2
477.28497	46.7
478.28714	1.9
491.29956	0.9
501.28445	1.0
509.31061	0.9
519.29279	1.5
585.30457	0.9
711.66766	0.7
724.34839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78928	0.4
53.03945	1.9
55.01674	0.4
55.01880	3.7
55.05270	0.7
55.05516	10.2
56.02153	0.4
57.03444	8.1
57.07084	0.5
59.05002	1.5
59.19698	0.4
61.02934	0.9
65.03927	0.7
66.94630	0.4
67.05509	10.3
69.03423	1.5
69.07082	2.9
71.01382	0.6
71.04988	1.7
71.38228	0.9
72.75238	0.4
73.77387	0.4
79.05502	13.0
81.03425	34.0
81.07065	10.5
83.01340	3.0
83.04987	5.5
83.08622	9.8
85.02919	2.2
85.06543	0.7
91.05486	11.8
93.07051	11.6
95.04981	12.1
95.08611	4.8
95.12004	0.4
97.02885	2.6
97.06538	2.9
97.10168	5.2
99.04449	1.3
99.08090	0.5
103.05485	0.6
105.06396	0.8
105.07041	8.8
107.04967	5.9
107.08604	6.6
109.02861	1.4
109.06520	4.4
109.10195	3.4
111.04446	2.1
111.08068	3.0
111.30130	0.4
115.05473	1.0
116.01585	0.5
117.07040	4.6
119.04946	0.9
119.08582	9.0
121.06509	2.7
121.10152	4.2
123.04455	0.9
123.08073	5.1
123.11697	0.5
125.02350	0.7
125.06023	0.9
125.09633	3.6
128.06232	0.5
129.07039	4.8
130.07808	0.6
131.04964	0.8
131.08588	5.4
131.53358	0.4
133.06502	1.7
133.10126	3.5
135.08046	2.0
135.11691	4.5
137.06012	0.5
137.09619	1.9
141.06947	0.6
142.07768	0.9
143.08577	1.8
145.06512	1.9
145.10141	6.6
147.04454	1.2
147.08057	3.0
147.11668	3.2
149.09645	2.3
152.63655	0.4
153.09116	0.8
153.12759	1.7
155.08577	1.3
157.10149	3.9
159.08073	1.1
161.06021	2.9
161.09566	0.9
163.11197	10.5
165.12904	0.5
169.06549	0.6
169.10132	1.0
171.08069	0.7
171.11583	0.7
173.06010	0.8
173.09630	2.9
175.07585	0.6
175.11201	3.4
181.10097	0.5
181.12296	1.3
183.08041	0.8
185.09616	0.8
185.13326	0.6
187.07555	0.6
187.11198	0.7
189.09273	1.2
189.11238	1.2
191.10693	2.0
193.10544	0.5
193.12263	8.2
195.08151	0.6
195.11678	0.9
199.11053	0.4
205.12270	1.0
207.06612	0.6
209.09995	0.4
209.11664	2.3
211.11290	1.1
211.13206	0.9
213.12747	0.6
225.12872	0.5
227.10855	0.6
227.12643	2.1
231.13765	1.3
235.11189	0.5
235.13326	0.6
243.13918	0.9
249.14954	0.5
257.15494	0.5
267.15948	22.2
269.15506	0.8
271.13379	1.6
273.14883	1.8
283.15427	15.6
289.14325	2.7
303.16006	0.6
337.21646	0.6
347.20203	0.7
355.22681	1.4
365.20996	2.7
383.22217	11.8
401.23257	6.5
407.24155	0.6
419.24380	1.4
431.24182	0.9
439.24512	1.4
444.08643	0.5
457.19421	1.1
457.25894	22.8
458.25891	1.0
475.26950	100.0
476.27371	2.8
493.27972	10.1
517.28131	1.2
722.38031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01867	1.7
55.05513	13.1
57.03448	7.1
57.07071	2.2
58.77026	1.0
62.54853	0.9
65.03946	2.1
67.05507	53.4
69.07075	12.9
71.05004	2.2
76.40330	1.0
77.38515	0.8
79.05493	50.6
81.03423	5.6
81.07059	46.0
83.04980	7.3
83.08624	7.5
85.06529	1.8
91.04902	1.5
91.05482	39.8
93.07045	56.2
95.04974	11.4
95.08611	35.2
96.03992	0.9
97.06556	4.0
97.10165	1.8
97.21433	0.9
98.21664	1.7
103.05450	1.2
105.04498	2.7
105.07038	26.1
107.04964	4.5
107.08591	19.9
109.06493	4.5
109.10153	9.8
111.08087	1.4
117.07019	8.0
119.08586	17.2
119.57870	0.8
121.06519	1.1
121.10151	14.0
123.08083	4.1
123.11699	2.2
128.06261	1.3
129.07025	8.6
130.07780	1.0
131.08569	6.4
133.10123	9.4
135.11673	6.3
143.08560	5.4
145.10117	7.3
147.08047	1.4
147.11688	22.2
149.13255	3.2
154.52338	1.0
159.11711	2.5
161.09642	1.6
161.13286	8.2
163.14835	1.6
166.71230	0.9
171.11716	12.5
173.13304	2.5
189.12752	4.8
207.13802	12.5
225.14874	1.3
243.21155	1.8
259.61700	0.9
261.22055	5.0
279.15698	2.1
281.17508	29.0
298.46393	1.0
313.27347	1.2
317.24936	1.7
335.25812	52.8
336.26035	1.2
446.20422	1.0
459.99457	1.0
477.22626	1.2
480.20532	1.2
485.29956	1.0
524.41119	1.1
541.38910	100.0
542.39020	3.0
564.00513	1.1
623.27924	2.5
624.28485	7.6
721.31464	1.5
721.39355	1.6
721.50708	20.1
722.50739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99857	2.8
64.80036	1.3
69.03418	3.6
69.21378	4.8
69.21802	5.9
75.61255	1.0
77.00914	1.3
82.99847	2.4
91.05476	5.3
97.02885	2.9
98.97538	1.6
101.00880	15.9
109.02886	2.2
113.00861	2.7
115.02422	2.6
119.01925	26.6
119.04964	12.3
121.02833	1.6
127.02425	4.0
127.03908	2.7
128.98552	1.4
129.00378	3.4
131.01921	9.1
133.03484	2.1
137.02942	2.8
139.02403	1.6
143.01906	31.5
144.01942	1.4
145.03516	11.7
147.01430	6.0
147.04416	100.0
148.04741	2.6
155.01906	18.5
157.03484	6.5
161.02963	27.8
161.04314	1.3
167.01915	8.9
169.03476	6.8
171.05049	2.9
173.02986	25.1
177.02518	1.3
177.05478	1.7
179.01918	5.3
181.03435	1.8
185.02975	45.3
185.04610	2.7
187.02710	1.3
187.04514	6.9
193.03452	1.7
194.50864	1.2
197.02963	13.8
199.04604	1.8
203.04024	12.0
203.97823	1.1
205.03528	10.0
209.02992	3.1
211.04523	4.0
215.04010	9.3
219.05089	3.1
221.03084	1.5
221.05023	3.8
223.04530	17.7
227.04031	8.9
229.03528	12.2
235.04466	1.9
237.06062	3.9
241.03305	2.7
241.05537	12.9
245.05081	61.2
246.05437	1.4
247.04564	52.6
248.04887	1.6
251.04504	1.7
251.22160	1.4
257.05075	3.0
259.04587	5.1
261.02585	1.4
261.06082	7.6
263.03839	2.0
263.06201	4.0
265.05618	69.0
266.06012	2.0
273.06177	2.3
275.06195	6.9
279.07126	4.3
283.06680	7.9
287.03943	5.9
288.07111	3.5
289.05527	2.8
291.03506	1.8
291.07083	5.9
293.03662	4.2
295.06567	2.3
301.05634	1.9
301.11273	2.4
305.07379	2.9
307.06744	8.7
311.06219	3.0
311.09509	1.3
319.06152	1.4
323.05774	1.4
333.04803	1.7
335.04697	1.9
335.08328	1.8
349.07480	9.2
351.05807	6.1
351.09491	1.5
353.06821	1.8
359.04578	1.9
361.04190	2.5
365.09161	6.8
367.08740	12.5
377.05707	5.0
379.05078	15.3
393.06775	1.3
395.06830	8.5
397.06210	30.5
415.07059	4.1
421.06015	13.8
431.08060	1.8
433.06351	2.1
439.01190	2.0
439.07181	30.9
448.28857	1.6
451.07050	6.2
457.08020	2.4
469.08170	7.6
473.14853	2.6
481.08234	10.3
499.09381	7.6
505.08136	1.7
523.09375	28.7
529.13733	5.9
541.10400	47.1
542.10510	1.4
557.11816	5.0
559.11139	6.1
703.15662	23.9
721.16107	2.0
738.99066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01865	3.6
55.05514	9.6
57.03205	0.9
57.03444	12.0
57.07080	22.0
59.04980	2.6
61.02911	2.5
67.05513	9.6
69.03426	1.4
69.07075	7.1
69.07397	1.3
69.14306	8.6
71.04996	1.9
71.08637	17.6
73.02889	1.2
79.05492	9.8
81.03420	5.7
81.06597	0.9
81.07059	14.9
83.01349	5.5
83.04984	6.8
83.08617	11.0
85.02912	4.1
85.06558	1.3
85.09737	0.9
85.10192	11.2
89.06016	1.9
91.03943	2.5
91.05495	5.1
93.07050	13.2
95.04971	3.9
95.08056	1.5
95.08608	14.3
97.02906	2.7
97.06531	2.1
97.10167	3.7
98.21540	1.8
99.04430	2.0
103.07639	0.9
105.07040	4.6
107.04967	3.9
107.08595	6.6
109.02868	0.8
109.06505	4.0
109.10170	6.1
111.04436	1.8
111.08061	0.9
111.11726	1.1
117.07010	3.6
119.08582	4.9
121.06503	2.8
121.10126	5.2
123.08064	5.2
123.11681	2.3
124.34296	0.9
125.05983	1.5
125.09619	1.1
127.03888	0.8
131.08569	1.7
135.08041	1.3
135.11678	7.0
145.10133	9.8
153.12724	2.8
163.11194	17.5
173.09644	1.8
181.12241	2.6
191.10678	1.5
209.11685	3.8
227.12692	2.3
239.23740	1.5
257.24707	1.2
283.15408	100.0
284.15689	0.9
313.27371	74.9
314.27652	1.8
412.73163	0.9
518.56183	1.0
521.38409	48.5
522.38757	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86594	0.4
55.05521	1.9
57.07080	54.2
58.07422	0.5
59.05007	11.6
61.09146	0.4
67.05508	1.0
68.13519	0.4
69.03453	0.4
69.07062	1.8
69.65950	2.8
71.08636	53.4
73.02924	1.4
73.06561	5.4
79.05490	0.8
81.03412	0.5
81.07080	1.2
83.08614	1.4
85.10188	47.1
87.04474	14.4
89.06037	100.0
91.05484	1.0
91.07613	0.8
93.07058	0.8
95.04984	0.5
97.10194	0.8
99.11742	5.4
103.07593	6.7
103.08257	0.7
107.07084	2.0
107.08642	0.5
113.05985	0.8
117.09133	5.1
119.08601	0.6
122.09097	0.6
127.14827	0.6
130.08611	3.1
131.07053	6.0
133.08612	74.3
134.09029	0.7
135.10144	0.5
141.16397	4.3
155.17973	0.7
161.11754	1.3
175.09682	5.6
177.11232	31.9
199.20604	6.1
219.12321	2.2
221.13834	6.3
223.15474	0.9
239.14952	1.1
243.23248	5.8
246.53784	0.4
265.16516	2.4
283.17581	2.9
287.25656	0.5
309.18979	1.6
327.20074	1.7
353.21747	1.3
365.08905	0.5
371.22702	1.4
389.06369	0.4
397.24252	1.0
415.25378	1.2
441.27124	0.6
447.33481	0.5
459.28082	2.4
485.29529	1.0
503.30688	10.1
538.51166	0.6
543.33643	1.5
613.27264	0.5
673.24634	0.5
701.50183	2.4
718.42798	0.7
718.53235	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	720.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23898	0.6
53.03935	2.6
55.01868	2.2
55.05513	13.4
57.03441	15.6
57.07081	33.6
59.04998	0.8
61.02922	4.1
65.03950	2.0
67.05508	26.1
69.03448	4.4
69.07074	9.7
71.05000	3.9
71.08638	23.0
73.02898	1.2
77.31344	0.6
79.05496	16.4
81.03423	45.0
81.07065	28.1
83.04498	0.7
83.04989	13.5
83.08623	24.2
85.02912	22.6
85.06544	2.1
85.10191	13.0
89.06036	1.4
91.03957	2.1
91.04913	1.2
91.05487	23.0
93.07051	12.6
95.04974	16.8
95.08615	22.5
97.02908	4.3
97.06528	3.9
97.10171	6.6
99.08092	1.7
100.07627	1.2
103.07565	1.8
105.07040	15.1
107.04962	5.7
107.08619	4.7
109.06567	3.5
109.10155	9.8
111.04449	1.9
111.08084	7.9
111.11745	1.0
113.06020	2.1
119.08580	14.0
121.06442	0.9
121.10153	5.9
123.08115	1.2
123.11728	4.2
125.09635	1.4
129.07005	8.6
131.08575	9.0
133.06512	2.2
133.10146	10.1
135.11687	0.9
137.09621	1.4
137.13264	1.2
137.79111	0.7
142.07802	2.8
145.10118	0.9
146.08145	2.0
147.08055	2.4
147.11693	12.2
149.09622	3.8
151.11301	1.0
151.14738	0.9
157.10135	12.5
163.11198	0.8
165.12772	3.2
175.11179	12.1
193.12253	34.6
211.13312	54.2
239.23752	2.4
257.24866	1.8
267.15909	19.1
267.18631	1.3
285.16980	69.0
311.25446	1.0
313.27380	73.7
314.27814	1.2
465.36047	1.0
500.42371	0.7
505.38925	14.9
523.39996	100.0
524.40338	3.0
556.21130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.4
55.01897	1.3
55.05511	3.4
57.03461	1.5
59.05015	1.4
67.05508	6.3
69.03403	1.6
69.07069	6.0
79.05494	5.2
81.03429	1.6
81.07064	3.5
83.08630	4.3
85.02943	1.7
85.06528	1.4
89.06022	2.0
91.05458	1.6
92.84050	1.3
95.04993	1.9
95.08618	2.0
97.06554	9.1
97.10199	2.6
98.20775	4.6
105.07025	2.3
107.08592	3.2
109.10162	5.5
119.08562	1.7
124.20119	1.3
126.46950	1.6
133.08618	1.4
135.11630	1.4
137.05998	42.8
163.46513	1.6
168.00528	1.7
177.66124	1.3
227.12828	2.7
229.14488	2.7
244.03697	3.0
245.04343	2.1
256.03693	2.3
259.06125	4.0
272.03326	2.0
283.05743	1.5
284.03140	3.4
287.05624	5.0
298.04752	2.3
299.05191	1.4
300.02823	1.9
301.03439	1.4
302.04263	6.1
306.20645	4.7
311.05383	1.7
312.02670	5.3
313.07077	7.0
315.05023	5.0
316.05911	6.9
317.06616	5.3
327.05017	19.3
349.23920	2.3
354.07330	3.2
369.09723	16.6
413.12344	100.0
414.12827	2.2
503.33652	3.6
718.37738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.05520	7.4
57.03440	8.9
57.07084	25.3
67.05510	14.2
69.07075	9.1
70.30611	0.9
71.04991	1.6
71.08290	1.5
71.08642	18.4
71.52260	1.0
71.52701	1.5
72.29713	0.9
73.02929	1.5
75.28455	0.8
75.43653	0.9
79.05505	14.0
81.03434	2.0
81.07067	19.9
83.04963	2.5
83.08624	11.4
85.02893	1.2
85.06557	1.0
85.10195	8.7
89.06030	3.9
91.05479	3.4
92.32577	0.9
93.07048	22.0
93.99178	0.9
95.04983	3.9
95.08614	36.1
97.02904	4.0
97.06552	1.9
97.10174	2.9
99.04479	3.0
99.11727	1.5
100.18476	1.0
100.97933	1.0
103.07571	1.2
105.07038	4.4
107.04951	4.5
107.08605	16.2
109.10155	8.7
111.08099	1.3
113.06013	1.1
117.07027	5.5
119.08591	7.0
121.06506	3.6
121.10165	11.0
123.11716	2.3
125.06010	2.3
133.08626	1.2
133.10114	2.4
135.08157	1.2
135.11702	36.5
139.07559	1.9
145.10129	21.1
163.11198	52.3
181.12251	9.6
204.80847	1.0
205.64301	1.0
214.58492	1.1
227.12804	55.2
239.23767	2.4
257.24796	2.0
283.15427	91.6
284.15729	1.9
313.27393	95.8
314.27823	2.1
320.82489	1.0
398.50491	1.0
434.97116	1.0
454.29431	1.0
516.16461	1.2
521.38440	100.0
522.38684	2.3
591.51849	1.0
622.27606	2.7
698.44995	1.1
723.48749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.4
55.01883	2.9
57.03458	0.5
57.62665	0.5
65.03936	3.1
67.05514	2.7
68.99801	0.6
69.03436	1.3
69.07070	0.7
70.06611	0.9
70.30131	1.6
71.05010	1.0
75.04482	1.9
78.04731	1.8
79.05503	4.1
81.03423	2.8
81.07084	1.1
85.02928	2.8
89.03936	0.8
89.06012	0.6
91.05495	8.6
93.03419	5.0
93.07047	2.6
94.04207	1.0
95.04981	5.4
95.08620	1.0
97.02918	1.2
97.06548	2.1
98.21449	0.6
103.05483	20.7
103.06155	1.0
105.03425	1.5
105.04518	1.0
105.07043	4.0
106.04196	10.6
107.04978	6.5
108.02109	1.0
108.05677	0.6
109.02910	0.9
109.06548	2.2
109.10167	0.7
110.03735	0.7
111.04451	1.4
115.05454	3.8
117.03407	0.9
117.07013	3.1
118.04173	4.9
119.04923	2.7
119.08611	1.0
120.05747	0.6
121.06521	12.2
122.03699	3.7
123.04477	3.0
123.08143	1.0
124.05272	1.2
125.06019	4.7
127.03943	1.1
129.07034	1.4
130.04178	1.8
131.04953	36.3
132.05711	1.1
133.02855	1.9
133.06512	4.3
134.03648	1.9
135.04437	1.9
135.08078	2.2
137.06000	57.8
138.06516	0.6
139.07549	1.4
141.05516	1.1
141.07024	0.9
143.04936	1.7
144.05710	1.1
145.02925	1.5
145.06519	4.2
146.03661	0.9
147.04465	2.7
147.08086	1.4
148.05219	10.1
149.00557	0.5
149.06015	22.3
151.03934	68.0
151.05019	4.5
151.07581	2.1
152.04668	0.6
153.05528	3.2
153.09114	5.2
157.06546	1.4
159.04425	1.1
159.08044	1.1
160.05217	1.9
161.06009	4.1
162.01448	0.9
163.03967	2.4
163.07565	25.0
165.05495	2.6
165.09172	1.3
166.06305	0.7
167.07079	17.8
171.04413	1.7
171.06543	0.8
173.06024	4.1
174.06746	0.8
175.04059	0.7
175.07599	5.4
176.04652	2.6
177.05502	17.1
177.09070	1.3
178.06073	1.0
179.01680	0.7
179.07076	1.7
181.04996	24.8
181.08603	11.8
187.07561	2.0
189.05510	1.3
189.09125	1.5
190.00858	1.0
190.06282	0.8
191.07062	100.0
192.07590	1.7
193.03209	1.7
193.04895	0.8
193.08684	2.0
195.06563	2.3
199.07562	0.5
201.05501	0.9
201.09201	0.7
203.06966	2.9
205.06892	0.7
205.08522	3.3
207.06454	1.0
207.08299	0.7
207.10220	0.9
208.01949	1.2
209.08128	82.0
210.08594	1.0
217.08583	1.4
219.06398	0.6
219.10165	1.6
221.08006	1.1
223.04272	16.6
223.09599	0.7
231.06494	0.8
233.06042	0.9
233.08095	4.5
234.06841	0.7
235.07553	1.1
235.09665	3.7
237.09090	1.9
239.06982	0.7
239.10648	0.7
245.08145	1.3
249.09106	1.2
250.06320	0.7
255.10434	0.7
263.09213	19.7
265.08652	1.5
266.09213	0.7
267.10257	1.2
277.08624	1.5
286.04892	0.6
291.10062	0.9
293.08081	1.3
294.08798	0.6
295.09601	1.5
297.11108	1.2
299.12811	0.8
301.07059	1.0
307.09570	0.6
309.11191	1.2
311.09177	0.7
312.09207	2.5
323.09030	0.8
325.10776	1.1
327.12155	2.4
329.13824	1.5
337.10809	1.2
339.12332	0.6
341.13925	0.8
351.12079	0.6
355.11783	7.7
357.13440	2.7
359.14755	1.5
369.13446	4.1
385.12704	2.0
387.14456	31.7
417.15527	2.6
457.59714	0.5
547.19720	1.0
579.21765	1.9
718.36322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46598	0.3
53.03939	1.4
55.05514	11.8
56.05033	3.7
57.03437	0.6
57.07079	5.7
58.06596	0.7
60.04530	23.6
60.72318	0.4
61.76498	0.4
65.03930	0.8
67.05508	19.5
67.64063	0.4
68.05038	0.6
69.03442	0.4
69.07072	16.0
70.06600	4.5
71.04976	0.4
71.08623	2.4
72.04507	0.5
72.08167	0.7
79.05494	16.5
80.05008	0.5
81.07060	19.2
82.06586	1.0
83.04996	0.8
83.08624	10.4
84.08135	0.5
85.02922	0.4
85.10178	1.1
86.06067	1.4
91.05489	2.7
93.07050	15.6
95.04970	0.9
95.08614	18.2
96.08141	2.9
97.06530	1.5
97.10164	5.3
98.09702	0.4
100.07629	1.3
105.04506	0.7
105.07034	0.8
107.08607	9.6
108.37503	0.4
109.10165	6.6
110.09696	0.6
111.08075	1.0
111.11735	1.8
114.09177	1.2
119.08572	0.5
121.10149	12.2
123.11725	2.3
124.11253	0.7
128.10588	0.4
134.67653	0.4
135.11703	7.6
149.13272	1.8
156.17551	0.7
163.14781	0.4
165.16454	0.4
219.21188	0.6
229.35803	0.6
247.24176	2.1
252.26869	0.7
254.24808	0.7
263.77029	0.4
264.26859	12.5
266.24881	0.6
272.25812	6.3
282.27927	16.6
300.28943	0.8
317.91351	0.5
488.48312	1.1
518.49420	5.3
536.50415	100.0
537.50726	2.6
554.51471	36.7
555.51666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97729	0.6
53.03954	1.0
55.01878	0.7
55.05520	3.1
56.05874	0.5
57.03439	2.1
57.07079	4.2
59.04998	1.8
61.02706	0.5
61.02940	5.1
61.91152	0.5
67.05513	5.5
69.03436	3.8
69.07069	2.3
69.80766	1.7
69.81174	1.1
71.08639	3.8
73.02927	7.0
74.03271	0.6
79.05492	4.1
81.03423	1.7
81.07056	5.7
82.07447	0.5
83.04990	0.6
83.08633	1.9
85.02918	4.4
85.10186	2.0
87.04464	0.6
89.06061	1.6
91.03957	2.5
91.05471	1.6
93.07053	5.6
95.04957	0.6
95.08630	4.6
97.02890	4.0
97.06558	1.0
97.10187	1.3
98.09724	0.8
98.10543	0.6
99.04467	1.2
101.02408	1.2
103.03976	0.5
105.07071	1.6
107.08610	3.8
107.53680	0.5
109.02869	0.7
109.10160	1.4
117.07023	0.6
119.08587	1.3
121.10184	2.3
127.03941	1.1
131.55798	0.6
133.08609	1.5
133.10130	1.2
135.11719	3.2
145.10175	1.4
147.11670	0.5
153.12926	0.5
158.04227	0.5
162.07750	1.0
177.11371	0.7
196.07370	0.9
221.11526	1.8
227.12874	0.7
243.08542	1.6
274.95361	0.6
277.14053	0.6
283.15417	3.8
284.15604	2.4
311.25824	2.2
312.26239	1.8
335.25967	1.8
336.26324	0.8
338.47995	0.6
412.84967	0.6
439.19489	3.2
519.29364	6.2
520.37140	2.7
537.50726	1.2
717.41870	100.0
718.42535	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	716.552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.0
55.05522	3.4
57.03458	1.6
57.07082	100.0
59.05008	32.8
60.04529	1.3
62.89823	0.8
64.03041	0.8
67.05507	1.8
69.07075	3.4
71.08639	72.8
71.52219	1.3
73.06540	0.9
79.05512	1.0
79.84831	0.7
81.07079	2.6
83.08643	2.8
84.80093	0.7
85.10191	60.4
87.04479	6.2
89.06039	43.1
93.07063	1.8
95.08657	1.3
97.10215	2.6
99.08095	0.9
99.11743	14.2
101.06068	1.4
101.09689	2.9
109.10146	0.9
113.13307	4.4
117.09148	9.4
121.10186	1.2
124.16679	0.7
130.08682	1.6
131.07106	2.2
133.08621	33.2
133.57613	0.8
142.24306	0.7
155.17937	10.3
165.60005	0.8
173.10269	0.8
175.09688	1.9
177.11240	16.8
177.12675	1.1
213.22150	19.8
219.12378	0.8
221.13875	4.0
254.24950	0.8
265.16660	1.4
271.26328	20.6
283.15121	0.9
283.17865	1.7
311.25824	1.0
327.20340	2.4
371.22784	11.5
411.26056	1.8
429.27261	2.7
487.31287	0.9
503.30783	1.9
536.50641	4.0
554.51434	1.4
699.52606	1.1
716.54840	6.0
717.31921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33681	0.3
53.03936	0.9
55.01866	0.4
55.05517	9.9
56.05041	3.1
57.03437	0.6
57.07083	4.9
58.06599	0.4
60.04532	22.5
65.03946	0.6
67.05511	15.3
68.05009	0.3
69.07076	12.2
70.06599	2.5
70.90933	0.7
71.05000	0.4
71.08636	3.2
72.04519	0.6
72.08154	0.3
79.05501	13.3
80.13457	0.3
81.07063	16.4
82.06581	1.1
83.04966	0.4
83.08144	0.6
83.08626	8.4
84.08126	0.5
85.02924	0.3
85.10174	1.0
86.06075	1.0
91.05491	2.3
93.07055	14.5
95.04954	0.8
95.08617	15.4
96.08138	2.6
97.06521	0.8
97.10169	5.6
98.09773	0.3
100.07621	0.9
105.04533	0.5
105.07019	0.5
107.08603	8.1
107.14986	0.3
109.10164	6.3
110.09665	0.7
111.08085	0.9
111.11713	1.5
114.09164	0.9
121.10154	11.5
123.11709	1.7
123.20350	0.3
124.11257	0.4
125.09627	0.5
125.13283	0.3
128.10686	0.4
135.11702	6.1
137.13237	0.7
142.15924	0.4
149.13274	1.7
151.14854	0.7
163.14902	0.4
170.19135	0.3
187.38551	0.3
247.24207	2.0
252.27000	1.0
254.24818	0.6
264.26895	12.1
265.25159	0.4
266.24866	0.4
272.25867	6.2
282.27936	14.2
300.29037	0.8
314.27051	0.4
345.24002	0.3
452.11850	0.3
488.48221	1.0
518.49384	5.3
533.18060	0.3
536.50439	100.0
537.50830	3.8
554.51495	39.0
555.51843	1.2
720.11914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.3
57.03440	2.9
57.07082	91.5
59.05006	51.4
67.05515	4.2
69.07063	5.0
71.08638	100.0
73.02889	2.2
79.05473	2.3
81.07064	3.5
83.08618	5.1
83.49313	1.4
85.10189	89.2
87.04477	5.7
88.66881	1.5
89.06035	33.5
93.07030	2.4
93.82880	1.3
95.08618	3.0
97.10179	3.4
98.20760	4.7
99.11745	10.2
101.06063	1.5
101.09675	3.3
103.07579	2.8
105.07041	2.7
107.08571	1.7
117.09128	19.7
121.10159	2.6
133.08618	26.3
141.16400	10.8
177.11264	8.5
183.92288	1.5
199.20605	26.8
199.22433	2.1
215.57518	1.5
240.23271	2.3
257.24765	37.7
282.28061	1.6
315.28937	2.9
327.20120	11.4
367.22864	1.9
385.24448	3.2
400.24768	1.7
425.27283	1.7
491.37918	1.7
536.50433	9.9
554.51294	4.2
716.55536	9.3
717.30707	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	716.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01873	4.2
55.05515	20.1
57.03441	11.8
57.07079	18.5
59.05012	4.6
60.04533	1.2
61.02940	4.5
67.05508	21.3
69.03427	1.9
69.07072	22.9
69.91753	4.0
70.14329	0.8
71.04980	2.9
71.08633	12.7
73.02921	15.6
74.83604	0.8
75.86257	0.7
77.49717	0.8
79.05498	19.1
80.32558	1.0
81.03420	8.1
81.07063	24.0
83.01340	5.7
83.04987	7.1
83.08150	1.4
83.08627	20.9
85.02914	6.2
85.06532	1.3
85.10187	8.5
87.04461	1.4
89.06053	6.4
91.03949	3.0
91.05499	8.0
93.06482	1.7
93.07049	23.4
95.04960	4.4
95.08614	18.9
97.02897	3.8
97.06506	5.1
97.10173	11.5
98.09680	2.4
99.04446	1.5
99.11742	1.7
103.07606	1.2
105.07037	4.8
107.04978	4.3
107.08605	14.9
109.06522	4.8
109.10161	6.8
111.04445	2.7
111.08121	1.9
111.11708	2.3
117.07012	4.0
119.08586	5.5
121.06501	2.2
121.10156	11.1
123.08063	6.6
123.11711	2.4
125.09603	3.0
127.03864	1.0
130.07774	0.8
131.08577	1.8
133.08606	3.4
133.10150	2.4
135.08040	1.4
135.11687	12.2
137.09624	1.1
137.13264	2.0
145.10135	9.8
149.13254	2.0
153.12733	2.2
155.08545	1.1
162.07692	2.2
163.11188	15.2
173.09634	2.0
177.11238	2.1
181.12202	1.9
196.07323	2.0
205.10707	2.3
209.11810	4.5
219.21179	1.3
227.12788	3.0
237.22253	1.7
243.52974	0.9
257.24725	1.0
259.15509	3.0
283.15417	100.0
292.31409	0.9
311.25824	70.0
312.26038	0.9
335.25888	4.1
519.36865	49.6
520.36890	1.9
536.50195	5.6
554.51312	1.7
618.10168	1.0
716.39355	4.0
716.51166	2.4
717.42029	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09088	4.0
55.05503	13.0
56.22844	3.3
56.61309	3.2
57.03432	13.3
59.04994	3.9
67.05184	6.5
67.05512	71.2
68.51324	3.3
69.07053	11.1
69.91602	13.1
73.98947	3.4
74.73631	3.6
78.79442	4.9
79.05495	23.2
81.07057	53.6
83.08619	7.7
91.05495	24.5
93.07046	27.8
95.08609	31.7
97.10168	6.5
104.54582	3.9
105.07023	19.8
107.08620	19.5
109.10166	54.4
117.06993	5.4
119.08574	18.1
121.10144	15.8
125.66770	3.9
131.08539	8.9
133.10120	10.7
135.11685	8.3
145.10054	6.2
147.11690	15.7
149.13330	4.1
159.11674	8.9
161.13289	7.5
167.11708	3.6
171.11845	4.4
173.11806	9.5
173.13228	4.5
184.07347	6.2
187.14870	4.6
190.90349	3.6
218.94202	3.5
229.14355	100.0
239.16426	8.3
261.22360	17.2
317.24915	4.5
335.25787	91.9
368.28506	3.9
369.78586	3.8
489.35638	39.3
499.37637	14.1
517.38892	31.7
714.46954	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.05508	17.8
57.03448	19.0
57.07077	5.0
61.02899	4.4
66.09929	3.7
67.05507	100.0
69.07078	25.0
69.29394	36.1
71.04980	5.8
71.08617	6.4
73.74096	3.8
79.05501	45.7
81.07063	84.1
83.08629	20.4
83.15118	3.6
85.06541	7.5
91.05481	36.2
93.07042	53.5
95.08613	49.6
98.20812	9.7
99.08144	4.4
105.07039	44.5
107.08598	32.7
109.10161	42.7
116.80525	4.6
117.07008	9.6
119.08598	32.1
121.10154	32.8
123.11707	9.4
125.09592	4.2
126.06696	3.5
129.07004	4.1
131.08546	20.0
133.10176	26.0
135.11678	18.0
143.08597	5.4
145.10144	14.9
147.11725	22.5
149.13290	14.6
159.11705	12.2
161.13257	12.1
163.14803	4.5
165.12756	10.2
173.11766	13.8
173.13269	10.3
175.14816	4.2
184.07324	6.1
185.13277	6.1
187.14722	5.6
229.14369	92.0
229.63406	3.8
239.16403	25.1
241.17938	5.9
243.21034	6.8
259.20627	5.1
261.22195	15.3
335.22058	7.9
335.25787	90.2
335.29443	7.4
400.00302	4.1
407.32843	6.9
423.87973	4.2
425.34131	10.9
443.34958	6.3
489.35660	47.5
499.38257	20.6
517.38916	81.5
571.87030	4.6
714.47406	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	715.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01869	0.8
57.03445	0.7
61.02940	0.9
67.05499	0.1
68.99500	0.1
68.99801	1.5
69.03432	5.4
69.98287	0.1
70.06588	0.2
71.04996	0.9
71.50642	0.2
71.51015	0.3
73.02925	1.0
76.99603	0.2
81.03426	8.1
83.01341	0.3
83.04987	0.4
85.02911	7.3
87.00835	2.2
87.04465	0.3
91.03915	0.3
91.05454	0.3
93.60586	0.1
95.04994	0.2
97.02901	5.3
97.03529	0.3
99.04458	2.4
103.03983	0.1
105.01862	0.9
107.04956	0.2
109.02887	13.1
109.50018	0.1
110.89703	0.1
111.04443	0.9
113.02374	0.3
115.03944	0.5
117.01839	0.3
119.04950	0.4
123.04455	0.2
125.02343	0.4
127.03924	100.0
128.04263	0.7
129.01839	1.1
129.05479	0.2
130.33424	0.1
133.06480	0.3
135.04482	0.2
137.02295	0.2
137.05963	0.9
139.03894	0.2
141.01845	3.2
145.04970	2.6
147.02933	0.9
147.04417	1.5
149.02296	0.2
149.05989	0.2
151.03908	0.3
157.04971	0.2
159.02884	1.4
161.06001	0.3
163.03996	0.2
165.05484	0.3
169.04919	0.2
171.02907	0.3
175.03918	0.2
177.05431	0.2
179.07074	0.5
181.04987	0.3
189.03944	0.2
189.05518	0.4
191.07083	0.2
193.04988	0.4
195.02905	0.4
201.03926	0.3
203.06999	0.2
213.03961	1.5
217.05057	0.3
221.08133	0.2
231.05005	2.1
235.06018	0.7
249.06128	0.4
253.07129	0.4
257.08221	0.2
273.06052	0.9
285.06097	0.6
291.07059	0.2
303.07175	0.8
321.06107	0.4
339.07153	1.3
357.08203	2.4
375.09195	1.8
432.08795	0.1
519.13568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70492	0.2
53.03942	0.3
57.03436	0.8
59.37787	0.2
68.99799	0.4
69.03433	0.8
69.42748	1.7
70.06609	0.2
71.05009	0.3
81.03426	2.8
85.02904	0.7
89.03915	3.1
91.05476	0.8
91.96341	0.2
97.02894	0.3
98.20764	0.5
99.04460	0.4
103.05467	0.5
105.07018	0.2
105.24247	0.2
106.04184	0.3
109.02890	1.1
117.03386	14.0
118.04201	0.8
119.04950	1.1
127.03905	0.7
131.04926	0.3
134.03670	0.6
135.04433	0.4
137.05977	0.6
140.01100	0.4
145.02853	39.7
145.10083	0.3
146.03221	0.4
147.04433	0.8
149.06006	4.2
157.06491	0.4
159.04454	0.3
161.06018	0.3
162.03133	3.9
163.03899	0.9
167.07076	0.3
168.00543	4.2
169.01332	0.5
171.04478	0.6
173.05988	0.3
174.03130	0.5
175.03911	1.2
177.05479	59.7
178.05803	0.8
184.05188	0.4
186.01657	1.6
186.05557	0.7
189.05557	0.3
195.06540	0.3
203.06982	0.3
210.01701	0.3
212.04733	0.5
213.05475	0.4
215.07068	0.3
219.06543	11.8
229.05009	0.5
232.96536	0.3
240.04149	0.7
241.04965	1.1
251.09163	54.0
252.09419	1.1
255.06500	0.6
257.04462	0.4
258.05228	2.1
268.03653	0.5
269.04413	3.2
285.03949	6.8
286.04730	69.3
287.05222	1.0
301.07077	100.0
302.07449	1.9
321.09698	0.4
377.26822	0.3
395.13458	5.8
413.14468	4.3
419.11282	0.7
442.07373	0.3
637.25653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
52.90504	0.6
53.03935	3.1
55.01861	2.5
55.05516	17.0
57.03442	14.0
57.07063	2.6
59.05001	1.1
60.28648	0.7
61.02914	2.7
65.03936	2.0
67.05510	60.3
69.03423	1.9
69.07073	16.0
70.63609	1.9
71.01340	3.0
71.05006	4.2
79.05501	47.3
81.03439	4.5
81.07063	45.2
83.04987	10.6
83.08635	7.2
85.02907	2.3
85.06542	4.1
91.03912	0.8
91.05489	24.9
93.07050	57.1
95.04963	5.3
95.08614	29.5
97.02914	1.6
97.06540	11.2
97.10175	10.3
99.04498	0.8
99.08076	1.7
105.04493	1.3
105.07039	13.4
107.04941	1.4
107.08604	36.6
109.06533	1.8
109.10162	13.8
111.08102	1.7
117.07021	7.4
119.08594	10.6
119.14310	0.8
121.04507	0.6
121.06529	1.4
121.10158	15.3
123.08076	0.9
123.11717	3.5
125.05933	0.7
125.09628	1.9
131.08572	6.7
133.10147	10.8
134.10449	1.2
135.08122	1.4
135.11705	47.6
137.09610	2.1
137.13260	1.0
145.10129	11.9
147.11688	3.6
149.13269	4.5
151.11159	1.7
153.12755	4.1
157.10007	0.8
159.11763	4.2
161.13226	2.6
163.11197	6.8
163.14824	2.7
167.19553	0.7
171.11848	0.9
173.13263	2.8
177.41168	0.6
181.12253	11.0
187.14897	1.7
199.13327	1.7
204.32709	0.7
243.21214	3.4
253.14342	4.2
254.14612	1.0
255.15930	100.0
256.16211	1.2
261.22147	10.4
294.29819	0.7
299.23178	0.8
310.62384	0.9
317.24588	1.9
333.24353	0.9
335.25821	52.7
336.26184	2.0
348.13632	0.7
423.32544	2.2
441.33530	1.1
515.37354	85.1
516.37488	2.7
533.38367	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	0.6
55.05507	1.1
57.03426	0.5
59.14828	0.4
65.03929	1.2
67.05496	1.9
67.05805	0.4
69.03430	2.6
69.07059	1.6
71.02187	1.1
71.04974	0.9
77.03922	0.6
79.05492	1.4
81.02983	0.6
81.03429	5.9
81.07060	3.0
83.05005	0.9
83.08658	0.6
85.02925	2.2
87.00813	0.6
89.03917	0.9
91.05491	20.2
93.07039	1.4
93.28542	0.4
95.04951	1.4
95.08600	1.5
97.02894	1.3
97.06542	1.0
97.10143	1.0
99.04450	1.0
104.51707	0.5
105.03394	0.8
105.07041	2.2
107.04946	1.3
107.08606	1.7
109.02894	2.4
109.06531	0.7
109.10154	1.8
119.04960	30.4
119.08577	1.2
121.02853	0.7
121.06525	0.8
121.10143	1.3
125.06033	0.9
127.03913	1.0
129.03343	0.6
131.04857	0.8
131.08533	0.9
132.02069	1.1
133.06476	0.6
133.10204	0.7
135.11696	0.6
136.05247	0.5
137.05978	0.5
145.02837	0.8
145.10118	1.6
147.04431	25.4
147.11719	0.6
149.02364	1.2
149.09581	0.5
153.05507	0.6
157.04018	2.5
159.11641	0.6
161.06010	0.6
163.03938	0.4
163.11160	1.1
164.03410	0.5
164.04700	1.6
169.01361	0.8
173.09590	0.5
175.03929	49.0
175.11113	0.5
176.04378	0.5
177.05446	0.9
179.07025	1.9
185.05943	0.5
187.11105	0.6
191.10645	1.1
192.04211	1.1
205.12361	0.5
207.06551	100.0
208.06879	1.2
211.07622	0.5
215.10732	0.8
225.07497	0.8
255.06549	0.8
257.04529	0.8
267.06558	0.5
267.15961	1.0
269.04474	2.1
272.03143	2.3
283.06146	2.5
284.06808	0.9
285.04013	0.7
286.04764	8.4
287.05508	5.3
297.03976	10.3
299.05502	0.9
300.02817	0.8
301.07095	16.1
302.07455	1.4
303.07666	1.4
311.05536	1.2
312.06250	3.2
315.05014	37.0
316.05411	0.7
330.07355	9.2
345.09729	88.6
346.10104	1.0
351.10767	6.1
369.12079	5.0
447.27600	0.5
448.28445	0.5
713.33020	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	711.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
55.05525	0.9
55.39737	0.7
59.18884	0.6
62.10201	0.7
67.05518	2.5
68.99776	0.8
69.03440	1.0
69.07072	2.0
71.04998	0.7
71.52341	0.7
71.52760	1.1
79.05511	4.2
81.03468	1.3
81.07082	1.6
83.08656	1.0
85.02908	0.7
91.05508	1.3
93.07083	1.2
93.73693	0.7
95.05012	1.1
95.08616	1.7
97.02850	0.8
97.06548	15.0
99.04516	0.7
105.07055	0.9
107.08620	1.4
116.61078	0.8
116.86816	0.7
118.68217	0.6
119.08614	1.0
121.02898	2.5
121.10151	0.9
127.03961	1.1
133.02814	0.6
147.11745	0.9
161.02347	0.9
168.00594	0.7
169.01390	0.8
171.11781	0.7
175.11263	1.1
183.02928	1.4
200.56354	0.8
247.07893	0.8
282.05295	0.9
286.04916	1.5
293.04614	1.2
301.07224	3.0
359.05582	1.4
360.06491	1.0
366.64264	0.7
373.07428	0.9
385.07391	0.9
386.08078	1.0
388.06033	2.0
389.06638	1.2
401.06549	1.1
404.05341	1.8
416.05246	1.0
418.06894	1.2
419.07748	3.0
463.64743	0.8
465.05771	1.1
514.12634	1.7
515.13623	3.0
539.06256	1.3
543.09497	1.2
571.08954	1.2
581.07825	1.2
582.07764	1.5
585.08240	1.0
635.11194	1.0
667.14862	1.4
681.12225	1.2
693.16125	1.7
711.17151	100.0
711.35040	5.6
712.17145	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	711.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85948	0.1
51.70955	0.1
53.03927	0.4
55.01864	0.2
55.05486	0.2
57.03419	0.2
61.02920	0.2
67.05498	0.2
68.99805	0.6
69.03436	1.5
69.07059	0.2
70.76456	0.2
71.01349	0.1
71.04972	0.2
73.02898	0.2
79.05482	0.2
81.03424	2.4
81.07043	0.5
83.04958	0.3
83.08580	0.2
85.02438	0.2
85.02913	2.3
87.00813	0.5
91.05457	0.4
93.07032	0.3
95.04982	0.3
95.08603	0.2
97.02902	1.5
99.04455	0.5
105.01835	0.2
105.07007	0.2
107.08584	0.2
109.02893	3.5
109.10197	0.1
111.04456	0.5
117.07055	0.1
118.04208	0.4
119.04905	0.4
119.08576	0.2
121.02894	0.3
121.10098	0.2
125.02359	0.2
127.03933	3.5
129.01852	0.4
132.05724	0.1
133.10156	0.2
140.01060	0.4
141.01839	0.4
145.02887	0.1
145.04935	0.9
147.02933	0.3
147.04410	0.5
147.11702	0.2
153.01845	0.1
159.02853	0.4
161.05939	0.2
168.00546	2.5
169.01355	0.3
175.03867	0.2
175.11264	0.1
177.05492	0.2
184.05202	0.1
186.01633	1.1
193.12286	0.2
195.02898	0.1
201.03781	0.1
207.06569	0.3
211.13246	0.2
212.04681	0.4
213.03923	0.6
213.05644	0.2
217.04965	0.3
229.05037	0.4
231.04907	0.8
240.04260	0.6
241.04965	0.5
253.07196	0.2
255.06544	0.4
257.04483	0.4
258.05252	1.7
267.15863	0.2
268.03625	0.3
269.04501	1.1
269.07498	0.2
269.08142	0.1
273.06198	0.2
283.06076	0.2
285.03925	4.7
286.04736	55.0
287.05188	1.1
301.07080	100.0
302.07404	1.6
303.07101	0.3
313.07126	0.3
339.07047	0.3
343.08234	0.4
357.08176	0.5
375.09302	0.2
448.19653	0.1
459.27542	0.2
477.28293	0.5
478.28583	0.2
549.12305	0.2
578.45410	0.1
621.12292	0.1
657.14252	0.2
711.30847	0.2
711.42267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96138	0.6
55.01867	2.3
55.05524	10.3
55.77351	0.6
56.05038	1.0
56.63828	0.7
57.03196	1.0
57.03447	12.2
57.07063	0.7
59.04987	1.3
61.02918	1.2
65.03936	1.9
67.05514	16.0
68.53262	0.6
69.03437	4.5
69.06796	0.6
69.07082	5.9
69.40270	1.4
69.40673	3.3
70.06609	1.2
71.01360	0.8
71.05006	3.2
73.02901	1.3
77.03947	0.7
79.05505	18.1
81.03430	74.9
81.06590	1.1
81.07066	17.9
81.69885	0.8
83.04988	8.3
83.08630	19.6
84.04562	0.7
85.02924	12.6
85.06538	1.8
91.04915	0.9
91.05495	25.0
93.07058	14.0
95.04983	25.6
95.08630	8.3
97.02887	4.0
97.06551	3.2
97.10194	4.8
99.04428	0.7
99.08118	1.1
99.19504	0.8
103.05527	0.8
105.04469	0.8
105.07047	18.8
107.04967	6.2
107.08615	7.7
109.02905	1.4
109.06538	5.2
109.10172	4.2
111.04441	2.4
111.08103	8.8
113.06026	1.5
115.05466	1.7
116.07104	0.8
117.07014	3.8
119.04957	2.5
119.08598	16.8
121.06512	4.1
121.10173	7.7
123.04371	0.7
123.08103	3.1
123.11741	0.9
125.06006	1.0
125.09663	3.1
127.03905	2.2
128.06189	0.6
129.07025	10.2
130.37941	0.7
131.04922	2.0
131.08595	13.1
133.06494	3.7
133.10144	8.3
135.08035	1.0
135.11714	1.5
137.05988	0.9
137.09634	2.5
142.07787	1.9
143.08574	1.7
145.02847	1.6
145.06503	3.1
145.10124	3.4
147.04376	1.9
147.08046	4.6
147.11705	11.1
149.09654	5.6
151.07555	1.0
157.06477	0.9
157.10161	14.0
159.08069	1.5
159.11742	0.7
161.09621	1.4
163.03928	0.7
163.11201	2.1
165.09241	0.8
165.12753	2.4
167.07043	0.7
170.54712	0.6
171.07999	1.0
171.11581	0.9
173.09607	0.8
173.13303	0.8
175.11218	11.9
175.14854	0.7
177.05528	2.6
181.10252	0.7
181.12172	0.7
183.08072	0.7
187.14827	0.7
189.11186	0.8
191.14238	0.8
193.12273	33.4
195.11650	0.8
197.13268	1.1
205.12263	1.0
207.06508	2.4
211.13292	13.2
213.12892	0.8
219.13835	1.6
225.12885	0.7
229.14252	1.2
233.15430	0.8
249.14877	2.5
255.13828	1.8
267.15955	100.0
268.16299	1.5
273.14996	3.3
285.17004	15.1
286.04752	4.2
287.05539	1.5
301.07098	6.2
303.04840	0.9
317.06702	1.8
318.06918	1.9
341.21051	1.6
349.21643	2.4
367.22717	8.3
385.23810	10.2
403.25055	3.0
433.25946	13.8
441.26328	6.6
459.27490	63.4
460.27740	1.4
477.28540	43.5
495.29315	1.5
519.30048	1.3
534.30518	0.7
537.69641	0.8
582.83173	0.8
585.30176	0.9
610.76001	0.8
710.32239	1.0
710.42554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
51.94365	1.8
53.03950	10.0
55.01868	6.0
55.05273	2.8
55.05514	33.0
57.03436	14.2
57.07087	16.2
58.07423	2.3
61.02925	2.3
65.03941	6.8
67.05511	67.6
68.34892	1.6
69.03136	2.1
69.03443	20.6
69.06782	1.8
69.07072	19.2
69.14590	20.3
71.04993	9.1
79.05080	3.1
79.05500	46.7
81.03426	82.8
81.06604	3.5
81.07066	67.8
83.04993	33.5
83.08630	25.4
85.02909	20.0
85.06552	3.2
87.04475	100.0
88.04816	15.1
89.06042	4.7
91.05489	50.2
93.06488	3.5
93.07051	52.5
94.07409	1.9
95.04974	29.0
95.08616	48.2
97.02892	20.8
97.06515	8.6
97.10181	8.9
99.04454	4.5
99.08120	2.7
101.06046	1.7
105.04561	1.9
105.06396	3.1
105.07040	37.4
107.04977	10.7
107.08611	31.0
109.02892	10.6
109.06521	5.7
109.10172	22.9
111.04453	16.4
111.08097	16.5
115.05443	3.1
117.07035	14.3
119.08587	31.0
121.06507	8.2
121.10168	27.3
123.08107	2.6
123.11683	7.8
125.09624	5.7
127.03912	8.4
128.06255	2.5
129.05542	9.2
129.06999	16.0
131.07054	2.8
131.08574	22.5
133.06537	4.1
133.08649	2.8
133.10135	26.1
135.04422	2.1
135.08017	3.8
135.11699	13.8
137.09607	4.8
141.06996	4.3
142.07764	2.3
143.08560	7.4
145.06483	3.1
145.10121	15.0
147.08060	8.3
147.11700	25.1
149.09628	9.0
149.13249	5.5
151.07584	2.1
151.11226	2.3
153.12756	5.4
155.08557	4.3
157.10123	16.4
159.11726	11.5
161.09602	2.6
161.13272	3.7
163.11188	8.1
163.14769	2.1
165.09036	2.1
165.12772	3.8
167.08449	2.9
169.10194	4.4
171.08005	2.0
171.11700	7.2
173.13278	7.8
175.11200	13.2
175.14809	3.7
177.09035	2.1
177.12766	2.1
181.09933	2.0
181.12236	4.5
183.11742	2.8
185.13356	3.0
191.10675	5.7
193.10464	2.5
193.12259	47.3
197.13239	2.7
199.14833	3.4
209.11641	3.2
211.13304	57.6
227.12779	10.7
229.14455	3.4
234.19447	2.5
249.14911	2.1
259.20493	3.4
261.22119	10.1
267.15979	18.0
277.21667	6.3
278.22009	3.8
280.76984	2.0
283.15369	5.3
283.20468	2.0
284.89423	2.2
285.16986	26.0
301.21631	2.7
317.24686	2.2
327.23178	3.3
335.25778	30.0
337.27371	6.1
341.24854	2.6
351.23065	5.3
353.25046	2.2
355.17679	3.9
357.24307	2.8
369.24170	7.8
387.25214	4.2
405.26639	3.6
407.17752	2.2
427.19196	2.2
429.21317	11.7
443.27646	3.5
461.28790	5.8
479.29913	3.8
523.55426	2.1
527.37402	15.8
545.30664	3.1
545.38403	49.5
653.40503	11.0
671.41193	8.7
689.42712	28.4
690.42993	3.0
707.47174	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.3
54.57233	2.2
55.01863	5.6
55.05274	3.5
55.05516	40.4
57.03439	17.6
57.07075	3.4
65.03938	3.7
67.05509	86.8
69.03437	19.7
69.07070	19.5
70.63619	4.6
70.63963	4.1
71.04998	10.8
72.52517	1.9
72.92351	2.1
73.02915	3.6
79.05496	63.3
81.03424	100.0
81.06593	4.4
81.07063	82.9
82.79291	2.0
83.04982	33.0
83.08161	2.4
83.08624	31.3
85.02908	20.9
85.06554	5.2
91.05486	57.9
93.06487	3.6
93.07050	61.0
95.04983	33.2
95.08070	4.0
95.08620	52.1
97.02888	16.3
97.06522	8.0
97.10188	10.8
99.04461	4.0
99.08101	3.9
103.03954	2.9
105.07039	43.1
107.04977	12.1
107.08611	29.2
109.02875	12.4
109.06518	7.1
109.10172	26.4
111.04447	18.8
111.08089	12.6
111.44894	2.4
115.05456	3.5
117.07046	14.9
119.08587	33.8
121.06492	6.4
121.10146	26.2
123.04466	2.4
123.08036	3.0
123.11703	10.6
125.09655	6.6
127.03914	9.2
128.06212	2.4
129.05467	9.9
129.07001	19.1
131.04997	2.8
131.08572	27.9
133.06497	5.9
133.10152	21.6
135.08058	5.3
135.11703	15.5
137.09683	2.7
137.13246	3.4
141.06981	6.1
142.07782	3.6
143.08553	6.9
145.06476	4.6
145.10112	17.5
147.08087	5.2
147.11678	22.4
149.09618	10.0
149.13240	8.2
153.12701	4.1
155.08527	6.6
157.06491	3.3
157.10136	16.1
159.11665	8.8
161.09677	3.0
161.13249	3.4
163.11201	11.0
163.14778	4.5
165.12724	5.6
167.08473	3.1
169.10132	7.2
171.11694	7.7
173.13216	7.5
175.11186	11.6
175.14673	3.7
179.14374	2.7
181.12288	6.8
183.11694	4.0
185.13240	4.2
187.14825	3.7
189.12822	2.2
191.10646	6.1
192.24886	2.4
193.12262	41.7
201.58244	2.2
201.67374	2.6
211.11334	2.3
211.13275	69.2
227.12787	14.9
229.14302	5.8
243.21062	3.6
259.20648	3.1
261.22174	10.5
267.15891	19.9
278.98825	2.3
283.15372	7.7
285.16983	25.9
309.16812	2.8
327.23236	3.3
335.25809	39.5
337.27347	7.1
351.23123	4.2
355.17673	2.8
369.24139	10.0
372.12869	2.3
387.25256	7.4
411.19882	3.3
427.19327	3.1
429.21371	14.6
435.32886	5.5
443.28131	3.3
444.97299	2.6
461.28580	4.4
479.30045	4.9
527.37372	14.2
545.38336	64.4
563.39008	2.9
598.93579	2.6
635.39465	4.4
651.38184	2.5
653.40234	12.2
671.41132	8.7
689.42560	31.1
707.40698	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	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76812	2.2
53.03943	4.6
55.05516	19.5
56.74133	1.9
57.03437	6.4
57.07073	4.7
59.04355	2.2
67.05180	4.0
67.05511	52.0
67.95998	2.2
69.03442	2.3
69.07054	13.4
71.04984	3.6
71.08643	3.2
71.51893	2.6
79.05499	57.7
81.03416	9.2
81.07068	55.5
83.05009	16.4
83.08606	7.9
85.06549	3.6
87.04471	6.4
91.05490	51.2
93.06490	3.2
93.07055	48.1
95.04964	12.1
95.08608	28.4
97.06538	3.7
97.10173	4.0
105.07044	33.4
107.04967	6.9
107.08607	22.3
109.06533	5.6
109.10152	10.0
111.08090	2.9
117.07024	4.3
119.08606	20.4
121.10158	15.0
123.11707	3.8
127.07613	2.9
128.06296	2.5
129.06985	10.2
131.08589	17.0
133.10141	29.7
135.11705	8.6
145.10132	6.7
147.08116	2.9
147.11696	15.0
149.09636	4.0
149.13300	4.3
157.10121	11.9
159.11688	5.6
163.11186	3.7
163.14819	3.0
175.11198	8.3
176.93175	2.5
184.07330	5.4
193.12277	13.0
211.13518	3.4
215.31494	2.7
243.20998	3.6
261.22186	9.1
265.14325	3.8
267.15961	45.1
335.25928	22.2
519.38708	2.4
527.37408	100.0
528.37732	5.3
707.41266	3.1
730.09869	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.5
54.48193	1.5
55.01877	8.9
55.05272	2.8
55.05517	33.0
57.03442	18.1
57.07083	4.4
57.32503	1.7
59.03103	1.4
65.03940	6.4
67.05511	74.7
68.45120	1.6
69.03438	19.4
69.07072	18.4
69.28047	13.7
71.04990	9.4
71.08617	2.2
79.05499	59.3
81.03425	100.0
81.07065	76.2
83.04989	36.0
83.08630	29.8
85.02916	20.5
85.06568	2.9
87.04501	1.8
89.05979	2.0
89.57318	1.7
91.04909	2.7
91.05485	51.3
93.07051	66.4
95.04981	28.9
95.08610	50.8
97.02898	25.0
97.06506	9.0
97.10175	7.8
99.04468	5.9
103.03971	1.8
105.07043	44.5
107.04937	9.6
107.08606	40.1
109.02870	13.7
109.06541	6.5
109.10167	22.4
111.04447	16.3
111.08086	14.6
113.09563	1.5
116.07115	1.8
117.07031	15.4
119.08595	36.2
120.09108	1.6
121.06506	4.5
121.10150	29.0
123.04388	1.8
123.08084	4.0
123.11704	10.2
125.09594	2.4
127.03942	11.1
128.06224	2.3
129.05498	7.0
129.07022	13.0
131.04965	1.9
131.08578	22.4
132.08879	1.8
133.06540	2.8
133.10136	22.0
135.11696	18.4
137.09628	4.5
141.06981	2.4
142.07785	4.6
143.08630	6.2
145.06494	2.5
145.10132	16.5
147.08051	4.6
147.11694	24.1
149.09654	8.6
149.13272	9.9
153.12784	4.3
155.08560	3.7
157.06586	2.0
157.10127	15.5
159.11696	9.3
161.13295	6.7
163.11234	8.0
163.14838	3.3
165.12814	5.1
167.08629	2.2
169.10220	2.8
171.08084	1.7
171.11720	3.2
173.04626	1.8
173.09634	2.5
173.13297	5.6
175.11214	13.7
175.14812	2.8
179.08574	2.0
181.12309	5.1
183.06551	2.3
185.13188	3.2
187.14864	4.0
189.12740	1.9
191.10724	6.5
193.12270	42.4
195.11581	2.7
199.14961	2.9
209.11699	2.6
211.13293	60.7
227.12782	11.3
229.14374	4.4
233.15363	2.2
235.13165	2.1
243.21234	3.8
249.14989	2.6
261.22159	13.1
266.59967	1.8
267.15955	15.7
283.15515	4.6
285.16989	20.4
291.23126	1.7
301.21506	2.4
315.23111	2.2
317.24557	2.5
335.25833	67.9
337.27444	4.5
351.23077	2.4
355.17542	4.4
369.24265	7.6
387.25287	5.3
405.26279	4.8
411.20160	2.5
413.12335	1.8
427.19644	2.4
429.21298	16.3
443.28171	3.7
453.33524	3.2
461.29190	2.2
479.29858	3.1
527.37622	13.4
545.38361	78.2
546.38965	2.1
563.39319	2.7
653.40326	7.1
671.41382	4.7
689.42511	28.5
707.42041	10.3
723.35083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01541	1.3
51.02355	1.4
53.03952	8.4
55.01873	8.7
55.05273	2.3
55.05516	32.3
57.03442	18.5
57.07072	3.2
59.05011	1.4
65.03944	3.7
67.05509	73.9
69.03432	20.6
69.07072	19.3
69.98294	1.3
71.01341	1.5
71.05004	9.7
71.08633	1.7
73.02901	2.0
79.05499	57.9
81.03423	100.0
81.07061	84.6
83.04986	36.4
83.08152	2.1
83.08621	26.8
83.27177	1.5
85.02914	22.2
85.06519	2.9
86.91264	1.7
91.05485	51.5
92.25285	1.2
93.07051	64.8
94.07389	1.3
95.01406	1.6
95.04978	31.7
95.08612	54.2
97.02895	22.9
97.06529	7.7
97.10194	9.5
99.04453	6.0
99.08071	1.9
103.05443	2.8
105.04511	2.0
105.07037	44.6
107.04963	9.0
107.07877	2.4
107.08600	31.9
109.02897	12.0
109.06524	6.7
109.09470	2.0
109.10168	22.7
111.04442	15.1
111.08082	15.7
111.60586	1.4
113.05966	2.2
115.05475	2.5
117.07035	12.6
119.04910	1.7
119.08590	36.0
121.06486	4.0
121.09331	2.1
121.10158	30.7
123.08063	5.6
123.11700	8.9
125.06044	1.8
125.09620	3.9
127.03912	10.9
127.85306	1.4
128.06230	2.7
129.05527	10.4
129.07011	13.7
131.08577	25.2
133.06496	4.8
133.10130	24.3
135.08014	1.8
135.11696	16.1
137.09613	4.1
137.13251	1.5
139.11188	1.4
141.06973	2.3
142.07764	2.3
143.08572	8.1
145.06508	2.1
145.10136	17.3
147.08087	4.9
147.11705	26.8
149.09622	10.8
149.13260	7.2
151.11105	1.6
153.09074	1.8
153.12738	4.8
155.08540	3.4
157.10135	17.8
159.11711	11.1
160.12300	1.7
161.13287	5.9
163.11208	7.1
163.14854	1.7
165.12752	5.9
169.10168	3.3
171.08125	1.5
171.11700	5.3
173.04327	1.4
173.09544	2.0
173.11932	1.3
173.13306	8.1
175.11194	16.6
175.14787	1.7
181.10101	2.3
181.12251	5.1
183.11548	2.6
185.13303	2.9
187.14856	4.4
189.11244	2.8
189.12772	1.8
191.10634	6.4
193.12251	52.8
197.13306	2.7
199.14775	3.0
201.16426	1.9
209.11603	1.8
209.13335	1.9
211.13300	76.3
214.70299	1.5
227.12720	11.6
229.02133	1.4
229.14362	6.2
233.15694	1.6
241.15863	1.7
243.21039	3.7
261.22104	11.5
267.15909	14.3
273.22079	1.4
277.21667	1.7
283.15359	4.1
285.16980	27.0
301.21588	2.2
315.23254	1.9
317.24759	4.6
319.15286	1.7
327.22824	1.4
335.25848	66.4
336.26022	2.0
337.27277	7.9
341.24872	2.1
351.23166	3.3
353.16040	2.0
355.17618	7.0
357.23947	1.8
369.24167	8.0
387.25333	4.0
405.26334	2.0
411.20230	2.7
427.19760	2.4
429.21277	16.7
435.32809	2.8
436.97672	1.5
443.27774	2.3
453.33527	3.2
461.29034	2.7
473.12692	1.5
479.30139	2.0
509.36227	1.9
527.37280	16.4
545.38403	78.2
546.38812	1.9
561.37622	2.1
635.39178	1.9
653.40375	7.0
671.40967	5.8
689.42572	32.6
707.44208	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	707.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91737	0.2
55.01867	1.0
55.05514	0.6
57.03434	0.7
59.04996	0.6
66.28889	0.2
67.05508	1.3
69.03430	2.3
69.07073	2.3
69.55686	1.7
70.06591	0.5
71.04979	0.4
72.08134	0.3
72.32639	0.3
79.05502	2.0
81.03423	1.1
81.07067	1.4
81.68125	0.2
83.04979	0.8
83.08608	0.4
85.02921	2.2
85.06530	0.3
86.09689	0.3
87.04463	1.2
90.59945	0.3
91.05485	0.9
93.07043	1.1
95.04972	0.6
95.08603	0.9
97.02885	1.6
97.06540	7.0
97.81674	0.3
105.07024	1.0
106.71281	0.2
107.08595	0.9
109.02886	0.4
109.06521	0.6
109.10160	0.6
111.04430	0.5
111.08074	0.3
115.03941	1.3
117.07020	0.5
119.08619	0.6
121.02895	0.3
121.06500	0.3
121.10165	0.6
123.08096	0.3
123.11688	0.4
127.03944	0.7
131.04918	0.3
131.08604	0.6
133.04994	0.9
133.10126	0.6
134.03658	0.6
135.08099	0.3
135.11684	0.5
137.06026	0.4
139.11098	0.2
143.08588	0.3
145.02882	0.3
145.10173	0.6
147.04434	0.8
147.11739	0.5
150.69872	0.2
157.10121	0.4
163.11118	0.5
165.09164	0.6
168.00552	1.2
169.01357	0.6
171.04454	0.3
171.11797	0.3
173.13290	0.3
183.02908	0.7
185.00824	0.5
186.01688	0.4
209.11736	0.5
216.04233	0.5
228.04112	0.3
242.05661	0.4
243.06660	0.4
244.03674	2.9
245.04408	1.8
246.05214	0.3
255.52000	0.3
256.03726	1.4
259.06021	2.4
260.06891	0.4
269.04337	0.8
270.05222	1.2
271.05936	0.6
272.03143	1.0
273.03958	2.6
282.05661	0.3
283.05923	0.3
283.15417	1.0
284.03137	3.2
284.15771	0.5
286.04727	0.5
287.02640	0.4
287.05557	5.4
288.06152	0.4
289.07364	0.3
298.04810	2.2
299.05481	0.9
300.02655	0.7
301.03455	2.6
301.07056	0.6
302.04239	6.3
311.05588	0.6
312.02606	2.8
313.03580	0.4
313.07019	5.4
315.04987	6.4
316.05795	9.6
317.06589	6.7
322.04865	0.3
324.06250	0.5
326.07965	0.4
327.05005	13.4
336.06641	0.3
339.05075	0.6
339.08740	1.1
341.10141	0.8
351.08774	0.4
353.06726	0.6
354.07434	2.7
369.09702	10.0
370.10223	0.3
380.08752	0.4
395.11081	1.3
398.09821	0.3
399.10770	0.8
413.12335	100.0
414.12531	2.6
459.25848	0.7
491.26871	0.4
492.26816	0.4
509.27194	0.5
510.27841	0.5
575.17773	1.8
666.43555	0.3
707.40485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01865	1.1
55.05520	1.8
56.94701	0.2
57.03443	3.0
59.04988	0.8
62.43265	0.3
67.05511	2.5
68.99821	0.3
69.03439	3.0
69.07072	2.3
69.41567	1.5
71.05001	0.6
79.05504	4.1
80.05843	0.4
81.03426	9.6
81.07069	3.2
82.03761	0.8
83.04987	1.6
83.08634	2.6
84.08970	0.4
85.02910	2.9
85.06554	0.3
87.04480	1.1
91.05490	3.6
93.07057	2.3
95.04981	3.3
95.08607	1.9
96.05290	0.3
97.02917	1.9
97.06541	6.0
97.10191	0.7
99.04440	0.4
99.08071	0.3
100.67345	0.3
105.03422	0.4
105.07032	3.1
106.07338	0.3
107.04954	1.4
107.08571	1.8
108.08918	0.3
109.02894	0.3
109.06519	0.8
109.10177	1.2
111.04436	0.3
111.08095	1.0
115.03947	1.4
115.05473	0.3
117.07008	0.6
119.04981	0.5
119.08595	2.5
120.08916	0.4
121.06507	0.3
121.10136	1.7
123.08116	0.6
123.11704	0.8
125.05958	0.4
125.09656	0.4
127.03918	0.5
129.07014	1.2
131.08601	1.4
133.04948	1.4
133.06503	0.7
133.10129	1.2
134.03654	0.7
135.04417	0.3
135.11691	0.6
137.13309	0.5
145.02812	0.3
145.06512	0.6
145.10129	0.8
147.04424	1.8
147.08072	0.8
147.11711	1.4
149.09631	0.8
153.01892	0.4
153.05426	0.4
157.10095	1.3
158.10498	0.4
159.11697	0.3
161.09662	0.3
163.11186	0.6
165.12727	0.4
166.99770	0.5
168.00563	0.7
169.01462	0.4
171.08109	0.4
173.09665	0.4
175.03923	0.4
175.11211	0.8
177.16325	0.3
182.01993	0.3
183.02931	1.4
185.00836	1.1
186.01622	0.5
193.12265	3.4
194.12656	0.5
200.04683	0.3
211.13219	1.9
212.13530	0.4
216.04401	0.4
217.04947	0.3
227.12688	0.4
228.04253	0.3
229.04898	0.3
241.04971	0.5
242.05717	0.7
244.03671	2.7
245.04457	3.6
256.03745	1.0
259.06006	3.3
260.06863	0.8
267.15933	10.0
268.16290	2.8
269.04544	0.6
270.05219	1.6
271.06009	0.6
272.03265	0.9
273.03989	4.8
274.04523	0.3
282.05194	0.3
283.15469	0.8
284.03143	2.7
284.15851	0.5
285.04095	0.4
285.16943	1.6
286.04736	0.5
286.17313	0.5
287.05487	5.1
288.06430	0.4
297.03870	0.4
298.04709	3.7
299.05408	1.3
300.02609	0.8
301.03577	5.0
301.06903	0.5
301.99081	0.3
302.04260	3.3
310.04633	0.3
311.05450	0.6
312.02747	2.1
313.03394	0.7
313.07040	4.2
315.05011	6.7
315.08664	0.6
316.05786	20.0
317.06552	3.0
324.06461	0.5
326.04105	0.4
326.07626	0.3
327.05020	10.9
338.04086	0.8
339.04974	0.5
339.08621	0.8
341.06549	0.4
341.10245	1.0
349.21338	0.3
351.08673	0.3
352.09555	0.3
353.06552	0.9
354.07364	1.8
362.07782	0.3
367.22650	0.7
368.22992	0.4
369.09741	7.5
380.08902	1.5
381.09598	0.3
385.23755	0.9
386.24045	0.4
395.11237	4.2
399.10706	1.7
413.12341	100.0
414.12677	1.9
428.83636	0.3
433.25870	0.9
434.26172	0.6
441.26260	0.4
442.26627	0.4
447.31137	1.2
448.31519	0.9
459.27472	4.9
460.27859	3.2
477.28528	3.4
478.28848	2.3
491.26556	0.5
492.26706	0.5
558.04718	0.3
575.17841	1.8
707.37012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05029	0.7
57.03437	0.3
57.07067	0.7
58.06617	0.6
60.08169	6.3
65.64813	0.2
66.53467	0.3
67.05499	0.9
69.03432	0.3
69.07066	0.5
69.85166	0.4
69.85555	1.1
70.06565	0.3
71.07380	3.1
71.08625	0.3
79.05485	0.7
81.03415	0.8
81.07065	1.0
83.08598	0.4
85.10172	0.3
86.09715	29.6
87.04477	2.6
87.15955	0.2
89.06039	0.5
89.91977	0.2
90.01929	0.4
91.05473	0.7
93.07047	0.7
95.05004	0.4
95.08610	0.8
98.98479	2.8
104.10750	2.4
105.07070	0.6
107.05049	0.2
107.08599	0.3
119.08604	0.6
121.06513	0.2
121.10162	0.3
125.00019	21.2
131.08636	0.3
135.75104	0.2
148.78246	0.2
184.07358	100.0
185.07773	0.6
186.84302	0.2
187.42114	0.2
191.18205	0.2
193.12440	0.4
199.09729	0.2
211.13322	0.4
232.49104	0.2
250.51178	0.3
388.57047	0.2
496.34033	0.3
507.53955	0.2
522.90491	0.2
544.36737	0.3
545.38647	0.4
706.47058	10.4
707.48120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01856	0.7
55.05518	1.4
57.03442	1.8
57.07067	0.3
59.04987	0.5
61.02911	0.2
67.05509	1.9
67.39098	0.2
68.99786	0.3
69.03088	0.2
69.03432	2.2
69.07067	1.9
70.06586	0.4
71.04975	0.5
71.52462	0.3
79.05502	2.4
81.03423	5.9
81.07061	2.6
82.03777	0.5
83.04992	1.5
83.08607	1.3
85.02912	2.2
86.09753	0.2
87.04470	1.3
91.05496	1.8
92.05782	0.3
93.07048	1.5
93.47785	0.2
95.04958	1.6
95.08602	1.3
96.05262	0.2
97.02905	1.5
97.05928	0.4
97.06535	7.0
97.10170	0.3
103.38578	0.2
105.03435	0.3
105.07047	1.8
107.04965	0.8
107.08618	1.1
109.02864	0.2
109.06492	0.4
109.10146	0.6
111.04433	0.6
111.08083	0.7
115.03962	1.3
117.07034	0.5
119.04921	0.5
119.08584	1.6
120.08912	0.3
121.06503	0.4
121.10154	0.9
123.04326	0.2
123.08036	0.4
123.11683	0.3
125.09651	0.4
127.03941	0.4
128.06232	0.3
129.06979	0.8
131.04897	0.2
131.08566	0.9
133.02820	0.2
133.04996	1.3
133.10133	0.9
134.03615	0.3
135.11685	0.4
136.16000	0.2
137.05951	0.2
137.09599	0.2
137.13231	0.2
139.10103	0.2
139.11186	0.4
141.54851	0.2
145.06540	0.5
145.10103	0.5
147.04446	1.2
147.08025	0.3
147.11620	1.0
148.12042	0.2
149.09601	0.6
151.11180	0.2
157.10124	1.0
163.11172	0.5
166.99751	0.3
168.00549	0.7
169.01350	0.8
175.11185	0.8
183.02844	1.2
185.00787	0.9
185.05937	0.3
186.01601	0.4
193.12259	2.3
194.12683	0.3
209.11702	0.2
211.13219	1.0
212.13701	0.2
213.09106	0.3
213.26988	0.2
214.06261	0.3
215.70721	0.2
216.04289	0.2
217.04997	0.4
228.04140	0.5
241.04980	0.4
242.05827	0.5
244.03636	2.3
245.04442	2.3
254.05841	0.3
255.02907	0.3
256.03616	1.3
259.06009	3.3
260.06821	0.6
267.15921	6.2
268.16302	1.7
269.04453	0.7
270.05215	1.7
271.05991	0.5
272.03271	1.1
273.03931	3.2
273.14893	0.2
282.05252	0.3
283.15482	0.7
284.03146	3.0
284.15677	0.3
285.16962	0.9
286.04715	0.4
287.05490	5.8
288.06076	0.2
297.04041	0.5
298.04666	2.7
299.05392	1.2
300.02786	1.1
301.03473	3.9
301.07092	0.5
302.04211	3.7
311.05511	0.7
312.02606	3.0
313.03458	0.5
313.07025	5.5
315.04990	6.2
315.08566	0.4
316.05765	14.3
317.06561	2.8
322.04721	0.4
323.05438	0.2
324.06311	0.6
326.04428	0.3
326.07855	0.4
327.04999	13.6
336.06500	0.4
338.04166	0.5
339.04935	0.5
339.08716	1.2
341.06601	0.6
341.10272	0.8
351.08661	0.4
353.06589	0.9
354.07352	2.8
355.07916	0.4
367.22574	0.4
369.09695	9.8
379.08585	0.2
380.08826	0.9
385.23755	0.6
395.11230	3.7
399.10867	1.1
413.12317	100.0
414.12604	2.1
433.25970	0.3
434.26358	0.5
438.45911	0.2
441.26547	0.3
447.31213	0.6
448.31586	0.4
459.16882	0.3
459.27414	3.3
460.27841	1.7
477.28546	2.0
478.28784	1.1
491.26126	0.3
492.26840	0.2
509.27576	0.3
510.28311	0.4
519.00525	0.2
575.17761	1.9
707.25586	0.3
707.38336	0.4
715.62646	0.2
727.74811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36884	0.7
53.03935	3.4
55.01873	5.1
55.05276	0.8
55.05513	12.0
57.03440	10.5
59.04996	0.9
61.02929	1.3
65.03933	1.8
67.05511	28.2
69.03415	3.0
69.07067	8.9
70.06585	0.7
71.01375	0.8
71.04998	3.6
71.52442	1.4
73.02931	1.3
79.05500	25.4
81.03425	42.6
81.06599	1.5
81.07064	25.3
83.01350	2.1
83.04504	1.1
83.04986	16.1
83.08629	11.4
85.02907	5.8
85.06554	2.2
87.04479	1.5
89.06020	2.6
91.03974	1.3
91.05488	33.6
93.07052	23.8
94.07410	0.8
95.04980	15.5
95.08618	10.3
97.02910	4.7
97.06571	5.2
97.10184	5.2
99.04437	0.9
99.08100	1.5
103.03929	0.8
103.05505	1.0
105.07040	21.5
107.04963	10.7
107.08598	7.5
109.02898	1.0
109.06541	6.6
109.09483	0.9
109.10165	11.2
111.04435	2.5
111.08095	4.4
115.05470	0.9
117.07045	3.7
119.07815	1.2
119.08599	16.5
120.08894	0.9
121.06521	2.3
121.10139	6.4
123.04474	1.0
123.08057	3.4
125.05981	0.7
125.09628	4.1
125.11991	0.8
129.07013	11.3
131.08571	12.9
133.06516	2.0
133.08618	1.4
133.10135	15.7
135.08073	1.3
135.11664	5.2
137.09637	2.0
141.07030	0.8
142.07761	2.1
145.06584	1.0
145.10103	7.5
147.08067	3.3
147.11708	10.8
149.09634	4.4
153.12784	2.1
155.08626	0.8
155.10699	0.9
157.06480	0.8
157.10139	14.6
163.11198	9.3
165.09033	1.2
165.12773	1.2
173.09662	1.0
173.11801	1.9
175.11209	10.9
181.12238	1.3
193.12257	16.6
199.13426	0.8
203.10825	0.9
209.11774	3.3
211.13275	1.7
227.12759	1.7
229.14330	4.8
267.15930	75.4
268.16339	1.7
283.15414	20.3
301.16440	1.7
328.82147	0.8
348.12851	0.8
407.24432	1.1
413.12854	0.8
422.34723	1.2
433.25983	1.4
437.25385	3.7
440.36240	0.9
441.26559	1.6
459.27441	100.0
460.27972	2.9
477.28613	4.8
491.26328	6.6
501.28415	1.8
509.27460	15.4
527.28534	8.5
567.29895	1.2
706.27814	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67694	1.6
53.03947	15.2
55.01886	14.9
55.05272	2.8
55.05517	35.9
57.03451	17.1
57.07066	2.9
58.07497	1.9
59.05005	2.6
61.02901	2.2
61.45776	1.9
65.03944	5.5
67.05514	75.5
69.03087	2.5
69.03439	36.3
69.07075	27.2
71.05001	14.0
71.08612	2.0
73.02899	2.4
74.34567	2.0
79.05502	58.5
81.03428	100.0
81.07064	72.5
83.04990	23.6
83.08629	22.0
85.02908	12.0
85.06530	4.3
86.09709	3.0
89.06007	2.0
91.03967	2.0
91.05492	47.1
93.06481	3.5
93.07052	57.7
95.04977	13.8
95.08624	43.2
97.02909	27.7
97.06545	9.5
97.10184	20.9
99.04470	15.8
99.08085	2.4
100.60523	1.6
105.07045	39.2
107.04989	8.9
107.08608	37.1
109.02888	23.6
109.06514	7.5
109.10172	28.0
111.04453	25.9
111.08092	12.1
113.05988	2.4
115.05439	2.9
117.07030	20.3
119.08592	33.4
121.06509	3.7
121.10159	26.6
123.04395	2.7
123.08119	3.0
123.11703	6.8
125.09631	20.2
127.03946	15.4
128.06258	4.1
129.05487	4.8
129.07008	13.9
131.04880	2.6
131.08585	30.8
133.06505	2.2
133.10139	20.6
135.08125	8.8
135.11710	20.1
136.08434	1.8
137.09618	4.3
141.06958	6.4
142.07803	2.8
143.08598	11.5
145.06470	3.8
145.10135	29.8
147.08018	3.3
147.11707	18.5
149.09628	4.8
149.13258	7.6
153.12762	19.7
155.08560	6.7
157.10133	11.6
159.08064	3.0
159.11699	13.4
161.09615	3.4
161.13275	7.2
163.11214	24.9
163.14809	2.1
167.08566	5.7
169.10135	8.8
171.11687	7.6
173.04480	38.8
173.09601	7.9
173.13260	12.7
175.11250	3.4
175.14754	2.8
181.10191	5.3
181.12242	18.9
183.07997	2.8
183.11697	8.0
184.07347	7.3
185.09621	3.5
185.13246	7.6
187.11208	1.9
187.14822	5.4
189.09338	1.8
189.11217	11.6
189.12753	3.5
191.10704	13.5
193.12302	4.1
195.11746	4.4
197.13326	4.2
199.11267	3.0
199.14832	6.6
209.11740	6.7
209.13484	2.4
211.14925	4.1
213.12885	2.7
223.14853	2.7
227.12794	47.1
241.19614	2.5
243.21170	3.2
259.20407	4.4
261.22086	8.9
267.15802	2.7
267.21323	2.2
283.15439	23.7
299.23636	10.2
301.16452	4.0
301.21570	4.3
315.23267	4.3
316.79370	2.1
317.24823	5.1
333.24057	5.8
334.24371	1.9
335.25876	31.8
341.25021	2.8
353.15872	6.5
369.24252	6.1
387.25430	4.4
405.26376	2.6
423.32486	2.3
427.19742	17.2
433.31024	4.4
443.27802	3.1
451.32172	8.9
461.28598	2.8
469.33206	5.3
479.30621	2.3
515.37268	3.1
525.35767	24.8
541.34991	2.1
543.36908	80.4
544.37433	2.0
552.96869	2.0
561.37897	8.8
651.38806	5.1
669.39697	5.6
687.29895	2.9
687.40955	24.5
705.30841	2.4
705.42053	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.2
53.03949	13.3
55.01875	18.4
55.05516	39.3
57.03444	18.5
57.07075	5.5
59.04990	2.3
61.02942	2.5
65.03937	5.1
67.05143	3.8
67.05508	77.1
69.03437	30.0
69.07079	20.8
69.81934	6.2
71.01337	2.7
71.04997	12.7
71.08608	2.4
73.02904	4.7
73.06544	1.6
76.71967	1.8
77.03918	1.5
78.88485	1.4
79.05499	63.4
81.03426	100.0
81.07063	74.4
83.04992	30.0
83.08625	21.4
85.02896	11.1
85.06561	4.1
86.09721	2.0
87.04473	1.8
91.05491	47.8
93.07053	69.3
95.04968	13.3
95.08616	44.6
97.02902	28.1
97.06537	10.7
97.10170	16.2
99.04455	15.6
99.08092	4.0
100.20471	1.6
103.05445	2.3
105.04523	1.8
105.07041	40.9
107.04977	10.1
107.08604	43.6
109.02892	22.4
109.06519	6.6
109.10162	24.4
111.04448	30.2
111.08102	10.8
115.05457	2.4
117.07028	25.2
119.07803	2.9
119.08594	30.0
121.06487	6.0
121.10142	26.5
123.08057	6.0
123.11726	8.0
125.00004	1.4
125.05949	1.5
125.09640	17.9
127.03938	18.9
128.06256	3.1
129.05493	4.1
129.07050	15.0
131.05025	1.7
131.08585	31.7
133.06505	2.5
133.10144	18.4
135.08034	3.9
135.11705	29.5
137.05911	1.7
137.09630	3.9
139.11172	1.9
141.06987	2.9
142.07733	1.6
143.08557	14.4
145.06508	4.8
145.10143	28.6
147.08051	5.8
147.11685	14.0
149.09637	4.7
149.13268	5.7
153.09163	2.7
153.12773	17.9
154.08090	1.8
155.08534	8.5
157.10109	10.5
159.08072	3.0
159.11694	16.9
161.09618	4.6
161.13277	6.9
163.11215	23.8
163.14880	2.1
165.05571	2.4
165.06889	2.0
165.12817	2.5
167.08589	2.1
169.10147	8.2
171.08153	2.0
171.10162	2.6
171.11708	8.3
173.04491	30.1
173.09651	7.6
173.13293	8.8
175.11113	3.1
175.14835	2.3
178.84338	1.6
181.10136	4.4
181.12256	20.0
183.11726	7.6
184.07356	7.2
185.09735	2.6
185.13254	6.7
187.11154	3.0
187.14806	7.3
189.11349	8.7
189.12747	2.3
191.10677	18.2
193.12292	4.0
195.11707	3.9
197.13286	6.1
199.11198	2.1
199.14809	4.6
209.11603	8.0
209.13383	4.2
211.13219	2.1
221.13385	1.8
223.14914	1.8
225.16418	2.1
227.10556	2.7
227.12790	54.3
241.19562	1.9
243.21243	3.9
259.20609	3.6
261.22171	8.1
267.15915	3.2
273.22321	1.9
283.15427	24.8
283.20532	2.5
289.21811	1.7
297.21698	1.9
299.23596	9.4
301.16287	4.4
304.71820	1.8
313.22327	1.7
315.23059	2.9
317.24808	4.9
333.24387	3.5
335.25839	39.3
336.25937	1.8
341.24838	2.5
351.23209	3.5
353.15710	8.2
355.04813	1.9
369.24307	5.9
371.25122	2.2
387.25510	4.1
405.26059	2.0
427.19656	16.3
433.30960	4.2
443.28107	3.1
451.31985	6.6
469.32986	5.1
491.29343	1.7
515.37097	5.4
525.35895	18.3
543.36853	70.7
544.37537	2.7
561.37970	13.2
651.39392	2.6
669.39587	7.3
687.29993	2.0
687.40973	26.8
705.42139	40.4
706.42603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	12.7
53.04162	2.4
55.01878	13.3
55.05516	39.5
57.03444	19.1
57.07065	6.5
59.04984	2.4
61.02916	2.9
65.03928	5.5
67.05512	70.5
69.03433	31.3
69.07084	21.5
69.55083	13.1
71.01351	2.6
71.04998	11.7
71.08631	3.1
72.80103	1.9
79.05074	3.7
79.05503	54.3
81.03426	100.0
81.07069	75.1
83.01351	3.2
83.04986	33.2
83.08623	21.4
84.58795	1.9
85.02908	12.0
85.06538	5.1
85.10190	2.3
87.04471	2.9
89.05991	2.4
91.05486	45.1
93.06484	4.5
93.07052	60.5
95.04994	12.9
95.08613	47.0
97.02901	28.0
97.06548	13.8
97.10188	18.1
98.20808	2.2
99.04482	12.6
99.08082	3.6
105.04527	3.4
105.07044	35.3
107.04973	9.2
107.08599	37.8
109.02881	24.5
109.06515	7.4
109.10164	23.5
111.04454	27.0
111.08092	10.6
115.05481	3.1
117.07034	20.6
119.04939	1.9
119.08594	34.1
121.06502	7.3
121.10156	29.4
123.04436	2.2
123.08055	3.7
123.11720	6.0
125.09640	16.6
125.13163	2.6
127.03934	18.7
128.06241	3.3
129.05478	4.0
129.07030	12.0
131.08578	27.7
131.81189	2.0
133.06456	2.0
133.10144	23.9
135.08063	5.7
135.11711	22.0
137.06013	4.5
137.09550	4.0
141.06966	6.0
141.08134	2.4
143.08551	13.9
144.09392	2.4
145.06529	3.9
145.10139	30.4
145.75394	2.0
147.04361	1.9
147.08101	4.3
147.11684	14.7
149.09619	6.0
149.13284	6.8
153.12747	18.3
155.08585	9.5
157.10168	12.6
159.08054	3.7
159.11728	17.4
161.09628	3.5
161.13290	5.7
163.11201	27.7
163.14850	4.3
167.08653	2.2
167.93707	2.2
169.10146	7.1
171.10307	2.4
171.11679	8.6
173.04497	33.6
173.05885	3.9
173.09616	7.9
173.13283	8.5
175.11240	6.1
175.14827	5.0
181.10278	4.8
181.12244	17.7
183.11685	5.9
185.09578	2.6
185.13275	6.3
187.14825	6.2
189.11267	9.4
191.10684	15.1
193.10271	3.2
193.12129	3.5
195.11653	4.0
197.13297	7.2
199.11102	3.4
199.14909	5.0
207.11690	2.8
209.10039	2.1
209.11627	10.9
211.13124	2.9
225.16364	2.3
227.12785	49.5
243.21103	3.1
259.20566	5.2
261.22192	7.5
277.21716	3.0
283.15439	25.6
297.22113	2.4
299.23816	10.4
301.16470	5.7
301.21762	2.2
315.23120	2.4
317.13892	3.2
317.24780	3.5
333.24225	3.9
335.25812	30.5
351.23099	5.2
353.15884	9.0
369.24216	3.9
387.25201	4.9
427.19714	18.7
433.31003	3.1
443.27847	4.0
451.32031	5.7
461.28955	3.7
469.33005	5.5
479.30551	2.6
515.37244	4.9
525.35724	17.7
543.36841	65.0
544.37634	2.3
561.37781	7.8
627.39142	2.3
651.38544	4.0
669.39368	6.9
687.41003	26.3
705.41907	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75224	2.3
53.03962	14.3
55.01885	15.9
55.05274	2.2
55.05522	33.9
57.03446	14.5
57.07061	3.2
61.02918	2.4
65.03939	2.8
67.05515	77.9
69.03443	31.7
69.07075	25.0
71.05005	17.1
79.05503	61.3
79.69082	2.0
81.03430	100.0
81.07069	69.2
83.01327	3.0
83.04994	36.5
83.08636	16.1
85.02925	13.1
85.06570	3.1
87.04425	2.3
91.05496	49.1
93.07055	64.7
95.04977	14.2
95.08067	3.5
95.08622	44.7
97.02897	28.4
97.06536	9.7
97.10172	15.8
99.04466	16.5
99.08102	2.5
105.07040	33.8
107.04956	9.6
107.08603	37.1
109.02898	25.1
109.06519	5.4
109.10171	23.5
111.04472	27.9
111.08067	9.5
115.05449	3.3
117.07035	19.1
119.08599	28.5
121.06501	5.9
121.10154	35.3
123.04379	3.1
123.08080	5.8
123.11724	6.2
125.09657	14.0
127.03931	24.6
128.06197	3.2
129.05495	6.5
129.07004	12.6
130.07852	2.1
131.08597	30.1
133.06459	3.9
133.10147	20.4
135.08081	5.9
135.11713	29.6
139.11177	2.4
141.06999	4.8
143.08583	10.7
145.06487	3.6
145.10133	33.6
147.08080	4.0
147.11697	16.0
149.09621	6.4
149.13277	6.3
153.09123	2.7
153.12761	23.4
155.08577	8.7
157.10146	10.5
159.08066	4.1
159.11691	11.8
161.09608	3.4
161.13284	6.2
162.71564	2.0
163.07465	1.8
163.11208	27.1
163.14819	2.9
166.45720	2.2
169.10120	7.3
171.11729	8.7
173.04500	32.7
173.09590	8.4
173.13258	9.9
175.11201	2.6
181.10347	3.4
181.12234	24.5
183.11713	6.0
185.09624	3.5
185.13271	8.6
187.11162	3.0
187.14816	7.2
189.11256	8.3
191.10651	18.2
193.12288	4.5
195.11723	2.1
197.13249	5.3
199.14850	3.3
201.12717	3.2
209.11623	9.8
209.13350	4.9
211.11095	2.3
211.14928	3.3
227.12804	48.0
227.14949	3.3
243.21083	4.3
245.13568	3.0
259.20517	2.7
261.22137	11.2
277.21796	3.0
283.15448	23.2
283.20444	4.9
299.23651	7.9
301.16330	5.9
301.21616	3.6
309.22046	2.1
315.23236	2.1
317.24774	3.4
333.24252	3.5
335.14813	3.1
335.25854	41.8
341.24942	2.9
351.23093	3.8
353.15921	5.7
369.24246	7.3
387.25363	5.5
405.26044	3.0
427.19687	15.9
433.30862	2.3
443.28113	2.7
451.32025	6.1
469.33136	5.0
487.34116	3.9
515.36969	4.7
525.35858	17.1
543.36920	59.7
561.37952	12.4
641.39648	2.5
651.39319	3.0
669.39667	7.2
687.41010	32.4
705.42169	43.0
722.03448	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01848	1.9
55.05501	1.3
57.03416	1.6
59.04984	1.9
63.91336	0.5
67.05497	2.1
68.99799	1.1
69.03447	4.5
69.07050	2.2
70.06578	1.6
70.86352	1.0
70.86664	0.6
71.04975	1.6
73.02901	1.1
78.12655	0.6
79.05489	1.6
81.03424	5.5
81.07073	3.1
83.01318	0.8
83.04965	1.2
83.08589	1.6
85.02916	6.4
85.06544	0.8
87.00835	2.2
87.04469	0.9
89.06038	0.7
91.05495	2.7
93.07040	3.1
95.04949	1.3
95.08601	2.3
97.02908	4.6
97.06534	1.4
97.10184	0.6
99.04444	1.6
100.07627	1.0
100.11291	0.8
103.03944	1.0
103.05479	1.4
105.01865	0.9
105.07040	3.2
107.04949	0.8
107.08588	2.2
109.02902	4.2
109.06520	0.9
109.10168	2.0
110.03652	1.1
111.04443	1.3
113.02380	0.6
117.06988	0.8
119.04900	0.8
119.08555	2.2
121.10114	1.1
122.03537	0.7
123.04512	0.8
123.11665	1.1
125.05966	1.0
127.03936	4.4
131.04904	1.3
131.08594	1.1
133.06482	0.9
133.10124	1.3
135.08086	1.1
135.11710	0.9
137.02388	2.8
137.05991	11.2
138.03116	1.7
143.08549	1.0
145.02882	0.9
145.05006	0.8
145.10100	1.3
147.04436	1.7
147.11685	1.7
149.06015	0.7
149.13245	0.7
151.07547	1.7
153.01794	1.2
153.06958	0.8
155.08704	0.7
156.04185	0.8
161.05951	1.0
163.07539	2.4
166.02629	2.2
167.07037	0.8
169.01372	6.2
171.06577	0.6
171.07950	0.7
173.06029	0.6
175.07603	1.1
177.05473	2.1
181.01280	0.9
182.15454	0.8
183.02910	2.0
186.06816	0.6
187.07559	1.7
194.02151	1.5
195.08122	0.9
197.00835	18.0
197.04486	1.3
199.07561	0.8
201.05495	1.5
201.09216	0.6
207.06528	0.7
210.14975	1.0
211.02423	1.4
211.07603	1.4
212.03180	13.1
213.03882	1.3
213.07416	1.0
213.09309	0.8
215.01872	8.6
221.04306	0.7
227.05530	88.0
229.08691	0.9
230.04254	16.5
239.07140	1.7
257.08218	3.4
267.06561	0.7
301.07101	1.3
324.06464	0.7
331.04584	1.1
337.03439	1.4
337.07098	1.0
340.05612	0.7
342.03699	1.1
345.06125	1.6
351.05051	1.2
352.05759	0.9
353.06622	0.8
355.04535	4.6
355.08298	0.9
361.09369	1.5
363.08646	0.7
365.06531	2.0
368.05133	0.7
369.06137	2.2
372.08386	1.8
381.09845	0.9
383.07639	9.2
385.09235	6.9
391.08218	1.3
396.12054	0.9
398.10004	1.2
400.11536	2.1
401.12436	1.8
409.09305	2.1
411.14639	3.7
413.12546	7.2
427.10324	2.2
431.23068	0.6
439.13867	9.1
439.35730	0.6
457.15005	100.0
457.36646	1.4
458.15326	2.7
461.19711	0.8
481.14859	1.4
687.17834	0.7
705.36774	2.0
705.52875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01859	1.8
55.05487	2.4
57.03434	1.1
57.07046	1.5
58.36235	0.6
59.05001	1.5
61.02911	0.8
61.07940	0.6
67.05478	3.0
67.05798	0.6
68.99785	1.7
69.03439	5.3
69.07085	10.4
70.06598	1.1
70.07388	1.0
71.04975	2.1
73.02893	1.2
78.12619	0.8
79.05473	2.0
81.03434	5.5
81.07076	3.9
83.01347	0.8
83.04987	1.6
83.08632	5.3
85.02450	0.7
85.02921	9.0
85.06540	1.5
87.00813	2.5
89.06033	4.3
90.06356	0.6
91.05482	1.9
93.07014	2.7
95.04968	2.4
95.08607	2.7
97.02896	4.6
97.06528	2.3
97.10101	0.8
99.04433	1.8
103.07594	0.8
105.01865	1.4
105.07023	1.7
107.08582	2.4
109.02890	4.8
109.06489	1.1
109.10162	2.7
110.03656	0.8
111.04403	0.9
113.02363	1.4
119.04926	1.2
119.08585	1.7
121.10127	1.6
123.11699	1.1
125.05954	0.8
127.03920	6.0
131.08585	1.2
133.06444	0.8
133.08626	5.4
133.10136	1.9
135.11668	1.1
137.02328	2.5
137.05983	1.4
138.03140	1.5
141.01845	0.8
143.08540	0.8
145.02914	0.8
145.04900	1.4
145.10100	1.6
146.08124	0.8
147.04404	2.6
147.08047	1.0
147.11716	1.4
149.06038	0.9
149.09552	0.9
153.01793	2.0
153.07063	0.9
155.08589	0.7
159.02873	1.4
161.05930	1.1
161.09639	1.1
165.07030	1.0
166.02730	1.4
167.07104	0.9
169.01349	5.7
169.06406	0.7
171.11702	0.8
173.05981	1.1
175.07474	0.8
175.14865	0.7
177.05478	2.8
177.11264	0.8
181.01262	0.9
181.06465	0.9
183.02907	1.5
183.08064	0.8
187.07567	1.0
189.09224	0.9
194.02075	1.9
195.08038	0.7
197.00826	16.7
197.04449	1.6
199.07605	1.0
200.04915	0.6
201.05551	0.8
201.09100	0.8
211.02438	1.1
211.07597	1.1
212.03192	12.3
213.03920	1.6
213.07480	0.9
215.01886	8.1
227.05531	90.8
229.08633	1.2
230.04268	15.3
239.07059	1.4
239.14888	2.0
257.08081	3.4
279.18042	1.3
286.04724	0.7
301.07159	1.4
309.07800	0.8
313.03571	0.7
321.07648	0.8
331.04657	1.6
337.03384	1.3
337.07117	1.0
340.05801	1.7
343.04300	0.7
345.06033	1.1
349.07101	0.8
355.04535	4.5
355.08365	1.4
361.09155	2.3
363.08682	1.8
365.06598	1.8
367.08087	0.9
370.06879	1.0
372.08371	2.0
381.09796	1.4
383.07611	9.4
385.09189	6.7
391.08313	0.9
398.10083	1.2
400.11868	1.7
401.12344	1.5
407.11887	0.8
409.09305	3.0
411.14801	3.7
413.12384	7.5
421.12650	0.7
421.31613	3.7
422.32047	1.9
427.10336	2.0
439.13998	10.6
439.32599	1.4
440.34018	0.7
457.15012	100.0
458.15250	2.4
481.15234	1.1
705.19006	1.0
705.37842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64363	0.6
53.62058	0.6
55.05519	1.7
57.07081	39.0
59.05006	13.9
67.05509	1.4
69.03437	1.1
69.07074	2.9
70.71983	0.6
70.76979	0.7
70.77325	1.2
71.08637	73.5
73.02927	0.7
73.06557	4.1
79.05511	2.2
81.03421	0.7
81.07069	1.8
83.08613	1.6
85.10191	40.9
87.04476	17.2
87.04982	1.2
89.06039	100.0
91.05482	1.3
91.07622	0.7
93.07053	1.5
95.05056	0.5
95.08601	1.3
97.02931	0.6
97.10179	0.7
97.75012	0.6
103.07589	6.7
105.07026	2.1
107.07087	2.5
107.08581	1.1
109.10145	1.0
111.04498	0.6
112.25198	0.5
115.07468	0.6
117.09127	5.3
119.08614	0.6
121.10136	1.0
127.14845	5.4
130.08627	3.0
131.07054	6.2
131.08549	0.9
133.08615	76.2
134.09064	0.5
135.10144	1.0
141.16357	0.8
146.08105	0.9
161.11772	1.7
163.11208	0.7
165.54892	0.6
169.38336	0.5
172.14041	0.7
173.11742	0.6
175.09689	5.2
177.11237	35.5
179.12791	0.8
185.19034	7.1
207.18977	0.5
219.12247	3.2
221.13837	7.9
223.15364	0.9
229.21628	6.5
237.13609	0.6
239.14943	1.3
263.14944	0.6
265.16446	2.5
273.24304	0.9
283.17606	2.8
309.19131	1.7
327.20239	1.2
353.21765	1.2
371.22855	1.3
397.23965	0.6
415.25354	1.1
446.72629	0.6
459.27872	1.2
485.29370	0.8
500.01169	0.6
503.30630	11.8
519.14850	0.6
543.34448	2.4
575.50500	0.8
672.27258	1.4
687.49426	3.2
704.31812	1.2
704.51599	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	704.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05043	0.9
57.06839	0.2
57.07084	2.2
58.06626	0.4
58.07406	0.4
59.04996	0.5
60.08170	7.0
65.68549	0.1
67.05509	0.4
71.06987	0.2
71.07380	3.5
71.08641	1.5
72.08969	0.3
79.05493	0.2
81.07061	0.4
83.08627	0.2
85.10194	1.4
86.09715	31.2
87.04465	0.2
87.10049	0.1
89.06052	1.6
90.06374	0.3
91.05480	0.2
93.07030	0.2
98.20737	0.3
98.98472	3.6
104.10763	2.3
109.10123	0.2
125.00018	22.8
133.08638	0.8
133.10173	0.2
134.08955	0.2
157.51990	0.1
166.02577	0.2
177.11264	0.3
184.07359	100.0
185.07719	0.5
213.22165	0.3
214.22514	0.1
229.22798	0.2
496.33850	0.2
657.35144	0.1
704.45026	7.8
705.45026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39774	1.9
54.85937	1.9
55.05514	17.1
57.03426	6.8
57.07071	4.7
59.04988	6.4
67.05511	21.0
69.03426	5.6
69.07076	69.9
69.41923	4.7
69.42335	12.3
71.04984	7.2
73.02898	3.0
73.06561	4.2
74.63290	1.9
79.05499	21.8
80.55146	1.9
81.03429	6.1
81.07058	23.1
83.04975	7.9
83.08631	18.8
85.02901	4.2
85.06535	7.0
87.00829	2.2
87.04466	18.9
89.06040	100.0
91.05472	11.1
93.07053	45.2
95.04962	3.5
95.08617	25.6
97.02902	3.2
97.06548	32.7
97.10184	5.3
98.20732	2.1
99.04456	5.2
101.06033	2.2
103.07574	4.1
105.07021	9.4
107.08601	31.3
109.10175	10.5
110.55138	1.9
111.08076	7.3
111.11703	9.3
116.58099	1.9
117.06981	2.1
117.09103	2.9
119.08575	7.9
121.10143	9.3
123.11708	2.4
127.03934	2.7
129.07031	2.2
131.07057	4.3
133.08612	81.1
133.10132	3.9
135.11697	71.4
139.11186	8.4
145.10094	3.0
147.11694	2.3
150.89548	1.8
151.11476	1.9
153.12744	68.3
157.12268	8.5
159.11714	2.7
169.10037	2.3
171.13824	53.4
175.09702	5.3
177.11223	29.6
183.13765	3.3
191.07207	2.2
197.15378	81.0
213.14882	5.0
215.16460	13.0
219.12344	2.6
221.13852	6.7
229.18027	2.8
235.59824	2.1
241.17972	2.7
255.19522	5.9
259.19104	3.0
273.20721	5.4
283.17599	2.4
286.99887	2.0
309.18961	2.1
327.20236	3.3
328.36566	1.9
331.07901	3.2
347.24188	4.0
353.21695	2.8
459.28189	15.6
499.30814	3.3
507.29935	3.2
669.44061	2.7
704.47687	6.0
705.27344	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	703.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
53.20584	2.0
55.01873	4.9
55.05515	20.5
57.03424	6.9
61.02924	6.7
67.05512	30.8
69.03437	14.7
69.07091	10.8
71.04981	4.5
71.52571	3.6
72.89962	2.3
73.02923	5.1
76.91537	2.0
79.05509	21.3
81.03434	22.4
81.07084	25.0
83.04984	6.9
83.08620	14.3
85.02921	10.5
88.48436	2.2
88.61034	2.2
91.03925	4.2
91.05489	24.3
93.07067	22.7
95.04950	5.1
95.08617	15.9
97.02904	11.3
97.06526	4.2
97.10162	14.4
99.04440	4.3
100.77263	2.0
105.07034	19.3
107.04958	5.0
107.08614	16.9
109.02857	5.6
109.06521	5.1
109.10136	11.2
115.03984	2.2
117.07017	10.2
119.08603	15.7
121.06516	2.6
121.10158	9.1
121.22848	2.0
123.08218	2.0
123.11679	2.4
125.09648	12.2
127.03915	7.3
127.48990	2.3
128.06242	4.3
129.07021	10.6
131.08603	13.4
133.10121	11.0
135.08066	2.9
135.11696	7.5
141.07019	4.1
142.07787	3.4
143.08554	11.0
145.10147	10.1
147.07945	2.4
147.11667	5.5
149.09547	3.6
153.12715	3.4
155.08548	7.8
156.09377	3.0
157.10081	8.5
159.11707	10.1
161.09671	2.5
161.13336	3.6
163.11140	4.4
167.08582	4.4
169.10135	7.2
171.08037	3.2
171.11690	8.9
173.04494	11.5
173.09656	2.8
173.13199	5.1
177.16350	2.5
181.10130	6.0
183.11684	9.1
185.09749	2.5
185.13287	6.9
185.15318	4.1
187.11183	3.2
189.11237	5.8
195.11827	6.2
197.13322	5.6
199.11226	2.8
199.14865	4.6
204.72527	2.3
207.11627	2.9
209.13298	3.6
213.12807	2.6
221.13150	3.5
223.14769	3.3
225.16614	2.3
227.12703	11.4
229.14320	5.3
230.14792	2.7
297.22110	6.4
421.31348	2.9
431.29102	3.7
449.30362	7.5
459.27499	3.1
467.31558	5.0
513.35553	2.6
523.34216	13.7
541.27081	5.0
541.35358	100.0
559.35974	4.2
649.37122	3.0
667.38263	5.4
685.39252	8.6
703.40472	29.4
704.41193	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01868	5.9
55.05274	3.2
55.05518	44.0
57.03438	14.0
57.07072	10.8
59.04995	6.0
61.02940	3.4
65.03934	3.5
67.05510	56.7
69.03428	6.2
69.07076	16.3
71.08620	9.4
73.02917	4.5
79.05506	31.6
81.03423	4.5
81.07066	44.2
83.04974	4.0
83.08620	31.7
83.24336	2.4
85.02931	3.2
85.06556	3.0
85.10146	4.4
87.04470	4.5
89.06090	5.1
91.05505	15.4
93.07053	35.8
95.04945	3.3
95.08614	29.5
97.02885	3.5
97.10177	65.7
98.20761	10.0
105.07047	10.0
107.08604	35.0
109.06471	2.7
109.10162	20.7
116.17175	2.9
117.06983	5.7
119.08585	9.7
121.10164	13.3
123.11723	5.0
125.09649	53.2
131.08577	5.4
133.08633	3.1
133.10091	5.5
135.08064	8.1
135.11679	11.1
145.10141	5.8
147.11731	3.6
149.13249	7.5
153.09119	4.7
159.11690	5.7
161.13274	4.4
163.14792	3.2
166.28323	2.5
171.10156	6.4
173.13269	4.8
189.11234	44.8
227.12796	73.5
227.20082	8.0
230.19565	3.6
243.21107	7.3
245.13873	96.3
261.22137	31.0
279.23358	3.1
313.27402	5.7
335.25833	100.0
384.41245	2.7
468.37592	8.4
487.33969	10.4
505.35187	71.5
506.36087	2.7
523.35858	3.9
702.28229	3.2
702.46802	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	703.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
59.70026	0.7
63.23919	0.8
67.05510	1.4
71.34737	0.7
79.05473	0.9
81.07059	2.5
82.16346	0.7
88.47394	0.9
89.59409	0.8
91.05500	2.1
91.63576	0.8
93.07034	1.1
95.08599	1.1
104.85259	0.7
105.07041	1.5
107.08592	1.1
109.10185	1.2
119.08572	1.3
131.08571	0.7
133.10094	0.9
145.10065	1.1
159.24307	0.8
169.07520	0.8
171.11768	0.9
177.27734	0.7
179.14337	0.7
192.93349	0.8
195.09131	1.4
196.09909	1.4
197.07217	0.8
197.10773	1.4
209.10747	4.7
211.12363	2.0
216.36313	0.7
221.10735	1.6
222.11594	2.5
223.08847	1.3
223.12222	3.7
224.13078	5.1
225.06668	1.3
225.13861	4.4
229.25766	0.9
232.09816	0.9
235.08716	1.5
235.12231	1.2
236.13017	1.8
237.10242	3.4
237.13870	12.5
238.14642	4.7
239.08258	3.9
239.15569	1.1
247.12465	0.9
251.11902	1.9
252.12654	1.2
253.09755	1.3
253.13545	2.1
263.08264	1.2
265.13345	5.8
266.14249	3.6
267.07663	3.6
267.14816	1.3
269.09357	1.6
281.09326	3.3
282.10120	0.8
282.13712	0.8
285.08780	0.9
299.10364	2.2
309.08746	0.8
313.12036	1.1
321.12921	0.8
323.13950	0.9
325.15591	3.2
341.11371	7.9
350.70670	0.8
392.17255	1.0
407.39264	0.8
420.16061	0.8
431.19293	0.8
432.17090	1.2
434.17670	1.3
435.18246	1.3
447.18695	1.0
449.20013	1.7
461.16312	1.3
463.21921	0.9
473.19974	0.9
477.19193	1.0
491.20938	1.8
505.22379	1.0
519.20990	1.0
521.22119	0.8
523.23273	2.6
529.51086	0.8
533.21899	2.1
535.19629	0.9
536.20502	0.9
541.34192	1.0
547.23285	1.2
550.21887	1.2
551.22845	5.3
565.25128	3.6
566.25354	3.7
575.23193	0.9
593.24091	7.9
597.24445	1.0
611.24994	2.4
621.23346	2.2
625.25208	3.4
635.24921	2.8
653.26105	100.0
654.26312	2.3
685.28809	15.6
703.39673	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	702.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05494	0.8
56.05037	0.5
57.07077	6.3
58.06601	2.1
65.03938	3.8
67.05498	0.5
67.08315	0.3
68.05034	0.3
69.03420	0.5
70.06595	18.0
70.81768	0.4
70.82095	0.4
71.08633	2.6
72.08160	0.9
73.02928	0.3
74.06080	0.3
79.05473	0.6
81.07040	0.6
83.08607	0.5
84.08137	1.2
85.10181	1.0
86.09705	0.8
88.07633	16.1
88.49774	0.3
91.05477	0.4
93.07037	0.6
95.04966	0.4
95.08614	0.4
97.02899	0.3
97.10161	0.4
102.09182	13.5
103.01846	0.4
110.51260	0.3
121.02859	1.4
125.66532	0.3
132.10202	1.6
139.03902	1.5
146.11772	2.2
147.04382	0.9
149.02356	54.1
149.03439	5.0
150.02698	0.3
150.36581	0.3
175.03954	1.7
177.05528	0.6
180.57672	0.3
193.04968	29.0
195.11856	0.4
212.23767	1.0
219.06592	1.4
225.05594	0.8
237.07579	4.8
238.25578	0.5
256.26358	40.4
257.26736	0.6
263.09180	0.7
269.04428	0.7
297.04004	1.2
300.29022	6.6
313.07104	1.1
341.06610	4.5
359.07578	2.7
385.09164	8.9
403.10303	10.3
429.11832	19.7
473.14453	10.1
526.85297	0.4
640.35052	1.0
640.88776	0.4
684.37799	1.0
702.38470	100.0
703.39044	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	699.1924
Annotation	CHEBI:75353
Peak:m/z	Relative Intensity
53.03936	0.5
54.82352	0.2
55.01863	0.2
57.03419	0.2
59.21441	0.2
63.02369	0.2
65.03943	0.9
67.05492	0.2
68.99787	0.4
69.03429	1.0
69.21924	1.6
76.03130	0.2
77.03934	0.6
77.76995	0.2
79.05482	0.3
80.85794	0.2
81.03425	2.9
81.07045	0.2
85.02897	0.9
89.03924	0.5
91.05486	15.5
93.07018	0.2
93.33526	0.2
95.04967	0.2
95.08578	0.2
97.02879	0.3
99.04444	0.4
103.05450	0.4
105.03374	0.7
105.07032	0.3
107.04957	0.3
109.02878	1.1
117.03344	0.3
118.04162	0.2
119.04946	22.0
121.10161	0.2
127.03902	0.6
129.03366	0.6
131.04897	0.6
132.02072	1.0
133.02876	0.6
134.03610	0.5
135.04402	0.6
136.05203	0.4
137.06050	0.2
145.02861	0.9
147.04414	19.6
148.05219	0.8
149.02312	0.6
149.05981	0.2
153.01837	0.4
157.02806	0.2
157.03970	2.5
162.03104	0.3
163.03850	0.2
164.04695	0.8
166.99812	0.3
168.00525	1.1
169.01366	0.9
172.05217	0.2
175.03909	39.0
176.04294	0.2
177.05449	0.5
179.07010	1.6
182.02094	0.3
183.02802	0.2
185.00812	1.1
186.01581	0.5
186.03122	0.2
192.04192	0.7
194.02113	0.7
199.03870	0.4
200.04686	0.4
207.06532	95.7
208.06863	0.9
211.03886	0.2
217.04942	0.6
225.05460	0.2
225.07495	0.4
227.03310	0.3
228.04181	0.2
231.06575	0.2
239.03348	0.2
241.05040	0.2
242.05646	0.4
243.06573	0.3
245.04474	5.5
248.94847	0.2
252.03856	0.2
255.02840	0.2
256.03668	1.5
257.04407	0.3
258.05121	0.2
259.05948	0.6
260.06827	0.5
269.04507	1.3
270.05267	1.9
271.06039	1.5
273.03949	9.7
275.09015	0.2
281.04224	0.3
284.03168	3.9
285.03909	0.7
285.07300	0.3
286.04697	1.4
287.05457	2.3
288.06351	0.6
297.03909	0.5
298.04730	3.0
299.05521	4.1
301.03415	9.9
301.07019	2.2
302.03879	0.3
303.08572	0.3
315.04993	5.4
316.05780	44.2
317.06207	0.8
331.08121	100.0
332.08530	2.1
351.10757	6.5
351.13901	0.2
352.10867	0.2
369.11780	3.4
369.51352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01869	1.4
55.05510	11.3
57.03423	3.6
57.07076	7.9
61.02929	23.3
64.06763	0.6
65.03940	1.8
66.94201	0.7
67.05507	52.7
69.03421	3.0
69.06734	1.2
69.07072	17.1
70.34232	2.4
71.04984	1.7
71.08637	5.2
71.77906	0.8
72.48604	0.8
73.02918	9.0
75.04497	0.7
79.05074	1.1
79.05499	14.4
80.21481	0.7
81.03399	1.0
81.07059	61.9
83.04961	1.4
83.08158	1.2
83.08623	17.0
85.02907	23.9
85.06507	1.8
85.10172	2.3
87.04504	1.2
90.92559	0.8
91.03424	1.5
91.03961	21.9
91.05473	11.9
93.07047	18.5
95.04979	0.9
95.08611	53.8
97.02899	11.0
97.06548	5.1
97.10179	10.5
99.04429	1.4
99.08079	2.8
105.07030	6.7
107.08591	11.6
109.06552	1.4
109.10162	29.7
111.08065	3.0
111.11687	3.0
113.09606	1.8
119.08575	11.0
121.10154	16.7
123.08111	2.1
123.11710	18.0
125.09592	1.8
125.13284	0.9
127.03925	9.5
131.08562	1.0
133.10138	12.0
135.11699	10.1
137.09569	2.1
137.13239	8.4
139.11185	0.8
141.12726	2.6
142.32616	0.8
145.04967	13.3
145.10162	0.9
147.11697	8.9
149.13249	8.4
151.14854	5.8
155.14276	3.3
161.13272	11.5
163.06024	23.6
163.14830	10.5
165.12708	1.1
165.16393	8.4
167.14394	1.1
175.14833	8.8
177.16403	1.8
179.14311	1.9
179.17952	6.4
181.15820	1.5
189.16443	3.7
193.15846	1.2
203.17888	1.2
217.19440	1.9
245.22653	63.6
246.23077	1.4
247.24344	1.3
263.23715	100.0
264.23883	1.3
265.25217	2.3
281.24762	3.8
337.27374	47.6
338.27853	1.4
355.28497	13.0
406.03900	0.9
499.32593	2.4
608.04797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
59.05004	0.5
59.07044	0.4
68.58877	0.4
69.03436	1.3
70.06603	0.8
70.48970	1.2
70.49325	0.5
71.05013	0.7
73.02928	1.5
73.06555	1.9
76.67636	0.4
81.03435	1.1
82.06616	0.4
84.08145	0.4
85.02916	1.0
87.04478	16.9
89.06040	100.0
91.05495	0.5
91.07631	0.9
95.04990	0.8
95.08593	0.4
97.02919	0.9
99.04500	0.4
100.07662	0.5
107.07096	1.8
109.02886	1.3
110.07043	0.3
113.06023	0.9
117.09129	2.1
119.04964	0.8
120.08114	0.5
121.06602	0.5
124.03957	0.5
127.03925	7.9
130.08650	1.0
131.07057	5.4
133.08617	67.3
134.08954	0.4
137.05986	1.6
137.09625	0.4
145.02892	0.6
147.04385	2.5
148.04803	0.8
154.71349	0.4
159.10130	0.4
160.07573	2.5
161.11684	0.6
161.17947	0.4
167.07022	0.4
175.09691	3.0
177.05463	0.6
177.11243	25.5
178.08644	3.3
179.12787	0.4
207.06512	0.7
219.12274	1.6
221.13857	5.3
223.15338	0.6
239.14789	0.6
241.20442	0.4
241.28952	0.4
265.16461	1.7
267.18057	0.6
269.13916	0.4
283.17511	1.6
286.04593	0.5
301.07040	1.1
309.19095	1.7
327.20084	0.7
353.21729	0.7
371.22940	0.6
415.25534	0.5
547.33905	0.4
635.38306	0.7
663.66254	0.4
679.40930	5.1
696.43555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18667	0.3
53.03949	0.7
55.01870	0.6
55.05512	1.2
57.03445	1.5
57.07063	0.4
61.02924	3.4
67.05507	2.6
69.03439	3.0
69.07068	1.2
70.06616	0.3
71.01348	0.4
71.05025	0.6
73.02924	2.7
76.49375	0.2
79.05502	3.1
81.03429	6.0
81.07056	3.8
83.04989	1.3
83.08624	1.6
84.63901	0.3
85.02909	6.8
85.06573	0.4
86.09721	0.4
91.03975	2.2
91.05486	4.3
93.07050	2.9
95.04997	2.6
95.08611	2.5
97.02908	4.1
97.06548	1.0
97.10194	0.3
99.04463	0.9
100.07554	0.3
101.02386	1.6
103.05464	0.3
104.10760	0.6
105.07048	3.2
107.04967	1.0
107.08607	1.4
109.02885	1.3
109.06546	0.9
109.10175	1.1
111.04490	0.3
111.08102	0.9
113.06034	0.4
115.03949	0.3
115.05453	0.4
117.07041	0.5
119.05013	0.4
119.08607	2.3
121.10134	1.5
123.08135	0.5
123.11735	0.5
127.03926	2.2
129.07057	1.0
131.08600	1.5
133.06451	0.4
133.10152	2.0
135.08153	0.3
137.05998	0.5
142.07843	0.4
145.05040	0.3
145.10139	0.8
147.04448	0.4
147.08131	0.5
147.11737	1.2
149.09625	1.1
151.07565	0.5
157.10181	2.2
165.12743	0.4
175.11218	1.5
177.05499	0.9
184.07434	0.8
185.04276	0.4
187.07596	0.4
191.10640	0.4
193.12242	2.5
203.05406	0.3
207.06519	0.3
211.13364	1.1
213.90050	0.3
229.43666	0.4
243.08484	2.0
251.12543	2.0
262.66714	0.3
267.16074	0.6
285.07697	0.6
285.16977	0.5
286.04785	0.9
301.07144	0.9
302.07565	0.3
307.15076	0.8
366.50241	0.3
460.28479	0.4
469.20523	12.4
560.66528	0.3
697.34070	100.0
698.34332	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	695.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01874	1.6
55.05504	3.0
57.03444	1.6
57.27327	0.8
61.02924	3.2
65.59450	0.8
67.05502	5.8
69.03420	2.8
69.07084	1.7
70.53033	1.8
70.53367	1.0
71.04994	1.8
73.02923	2.2
79.05507	6.5
81.03413	4.6
81.07069	5.8
83.04961	2.1
83.08604	1.5
85.02922	4.5
89.03951	0.9
91.03955	1.2
91.05479	4.2
93.07049	4.3
95.04964	4.6
95.08620	4.9
97.02900	2.7
97.06522	1.3
97.10207	1.0
101.02366	1.6
103.03971	0.9
103.44990	0.9
105.07062	5.0
107.04980	2.2
107.08611	3.8
109.02941	1.8
109.06512	1.8
109.10121	1.9
117.03375	1.4
118.03703	0.9
119.08604	3.8
121.06597	1.0
121.10109	1.7
127.03927	2.7
129.07005	1.3
131.08577	1.8
133.10135	2.5
135.08054	1.8
135.11722	4.3
145.02846	4.3
145.10156	2.5
145.20715	0.9
146.03198	2.4
147.11748	1.4
149.09673	1.1
151.11241	1.0
157.10069	1.3
163.11232	3.6
165.09032	0.9
175.11240	1.3
177.05453	6.0
178.05841	2.8
181.12244	1.0
193.12289	1.9
207.06532	1.0
227.12814	2.6
243.08391	2.3
249.10999	4.7
251.12546	2.1
261.07629	1.5
262.07745	1.0
268.16260	1.0
270.08319	1.0
285.07617	1.5
286.04852	1.1
301.07132	2.3
302.07489	1.7
305.13458	1.8
324.18463	0.9
439.27243	1.7
440.27289	1.4
458.68701	0.9
466.28815	1.0
467.18997	10.7
469.20569	10.2
603.27362	0.9
677.29236	1.4
695.32379	100.0
696.33124	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01873	1.8
55.05514	14.8
57.03442	5.8
57.07079	7.8
59.05006	0.5
61.02932	22.8
65.03945	2.5
67.05507	60.5
69.03441	3.1
69.07072	22.2
69.07391	0.5
70.56945	1.4
71.01347	0.7
71.04990	1.8
71.08635	5.6
72.08145	0.5
73.02921	8.2
75.04482	1.0
79.05495	18.4
81.03423	1.6
81.07059	77.8
83.04987	2.2
83.08623	17.2
85.02910	24.8
85.06534	2.0
85.10173	2.9
85.43388	0.5
87.04456	0.9
91.03959	21.1
91.05483	12.2
93.07046	21.5
95.04990	0.9
95.08611	65.5
97.02893	12.3
97.06540	6.5
97.10176	11.4
99.04449	2.0
99.08086	3.1
103.03933	0.8
105.07031	10.7
107.08598	14.7
109.02870	1.0
109.06526	0.8
109.10160	35.0
111.08082	3.5
111.11736	4.3
113.09650	2.2
115.03931	1.4
119.08582	11.3
121.10146	20.6
123.08089	1.2
123.11710	16.7
125.09647	1.2
125.13265	0.9
127.03917	9.1
127.11243	1.4
129.09096	0.6
131.08572	0.6
133.10138	13.4
135.11702	10.1
137.09648	1.2
137.13272	8.0
139.11215	1.2
141.12741	3.0
145.04971	10.6
147.11674	8.8
149.13268	10.1
151.11185	1.4
151.14827	5.2
153.12758	0.7
155.14275	3.2
161.13269	13.3
163.06032	18.2
163.14832	8.5
165.12762	1.6
165.16396	9.1
167.14333	1.1
169.15828	0.6
169.60802	0.7
175.14838	9.6
177.16364	1.9
179.14409	1.2
179.17964	7.4
181.15916	1.1
183.14005	0.6
184.77934	0.6
185.15291	0.7
189.16383	4.7
193.15883	1.4
193.59470	0.5
203.17935	1.2
204.08614	0.6
205.19542	0.6
207.17319	0.7
210.18576	0.9
217.19513	1.7
221.22327	0.5
245.22659	62.5
246.22990	1.2
253.82855	0.6
263.23712	100.0
264.24023	1.4
265.25241	2.2
281.24786	2.8
337.27380	70.0
338.27701	1.2
352.82095	0.6
355.28461	19.7
463.30875	0.7
481.32031	0.7
499.32834	5.3
553.14075	0.6
696.45300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3258
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03952	0.6
55.01876	0.8
55.05507	1.2
57.03448	2.0
58.83129	0.3
59.05007	0.3
61.02927	4.5
65.03915	0.3
67.05508	2.2
69.03433	3.0
69.07063	1.2
69.37397	1.5
69.37803	0.4
71.01353	0.4
71.04995	0.8
73.02921	2.7
74.14182	0.3
79.05495	3.4
81.02984	0.5
81.03422	4.6
81.07058	3.5
83.01336	0.4
83.04982	1.7
83.08616	1.6
84.87981	0.3
85.02910	5.2
85.06535	2.9
87.00871	0.3
87.04435	0.3
91.03964	2.4
91.05497	2.3
93.07056	3.3
95.04981	1.8
95.08602	1.5
97.02901	4.2
97.06528	0.7
98.21460	0.4
99.04431	0.8
101.02404	1.1
103.03954	0.4
105.07038	2.2
107.04978	1.0
107.08608	2.0
109.02905	0.9
109.06558	0.7
109.10170	1.3
111.04431	0.3
111.08076	1.6
115.03876	0.4
117.07030	0.6
119.08574	2.0
121.06511	0.5
121.10146	1.3
123.08081	1.0
123.11780	0.4
127.03924	1.9
127.30133	0.3
129.07007	0.7
131.08580	1.1
133.06493	0.3
133.10172	1.4
135.08055	0.3
135.11710	1.3
137.05984	0.5
137.09662	0.5
142.07898	0.3
145.04959	0.6
145.10107	1.3
147.11725	1.1
149.09631	0.6
149.13264	0.3
155.10648	0.3
157.10158	1.1
159.11737	0.3
163.11217	2.2
165.12849	0.3
173.09738	0.5
175.11250	1.1
177.05515	0.6
181.12317	0.3
185.04324	0.4
193.12335	1.5
203.05333	0.5
209.11629	0.6
211.13263	0.6
227.12662	0.3
237.55238	0.3
243.08395	1.9
249.11028	0.8
251.12627	0.8
267.15979	0.4
283.15469	0.9
285.07593	0.5
286.04803	0.4
301.07190	1.0
303.07675	0.4
307.15201	0.5
347.21823	0.2
440.27463	0.4
447.31268	1.9
448.28375	0.3
449.28735	0.3
457.93335	0.3
461.28769	0.3
462.29303	0.7
466.28876	0.3
467.18869	5.3
469.20474	6.0
498.31592	0.5
681.05792	0.4
682.89423	0.3
695.32458	100.0
696.08014	1.5
696.32843	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	5.3
52.90075	5.8
53.03943	12.9
55.01864	11.5
55.05515	42.0
57.03440	35.9
57.07061	5.7
67.05508	91.9
68.42371	5.7
69.07062	32.3
71.04993	7.4
71.51883	7.4
79.05502	88.9
81.07059	78.5
83.04995	10.2
83.08602	19.8
85.06536	12.2
87.94634	5.9
88.28143	6.0
91.05485	100.0
93.07048	97.3
95.04953	16.8
95.08611	64.7
97.06518	13.6
97.10152	16.6
99.08087	7.6
103.05486	7.6
105.07038	89.7
107.04958	12.0
107.08603	54.7
109.06527	22.3
109.10135	28.0
111.08080	14.0
115.05444	13.7
117.07019	52.5
119.08588	67.3
121.06524	10.9
121.10123	28.1
123.11745	6.0
125.09624	7.4
128.06218	12.8
129.07027	36.2
131.08589	57.2
133.10115	34.3
135.07980	8.0
135.11682	12.7
141.06952	6.3
143.08582	31.4
145.10153	49.9
147.11678	26.3
149.09554	12.6
154.58586	5.1
155.08516	16.4
157.10156	29.9
159.07930	5.6
159.11708	38.2
161.09595	6.8
161.13274	13.0
163.11185	9.0
167.07085	5.9
167.08600	10.1
169.10124	21.5
171.11681	21.1
173.13264	15.6
175.14854	6.5
179.08553	6.5
181.10092	14.4
182.10802	5.3
183.11687	20.9
185.13260	24.5
189.11183	7.8
195.11673	14.5
197.13237	15.8
199.14790	8.4
201.12625	5.4
203.14276	11.2
209.13322	9.3
217.15900	7.2
219.17465	6.9
221.13326	5.5
223.14732	6.6
227.12784	16.4
239.17924	12.0
254.94363	5.6
257.19000	17.3
275.20120	38.8
287.20273	7.4
331.22769	5.8
347.21939	5.8
349.23654	33.5
356.94241	6.0
551.36731	5.8
605.41290	7.5
623.42859	15.5
641.43689	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	694.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01855	2.2
55.05520	18.8
57.03428	8.9
57.07066	5.8
65.03940	2.6
67.05513	72.2
69.07073	21.9
71.04984	7.7
71.08605	3.4
71.52513	3.0
79.05082	3.4
79.05505	43.7
81.07066	58.4
83.04955	3.3
83.08620	12.9
85.06561	3.3
87.78396	1.8
91.05494	30.9
93.06496	3.1
93.07056	51.6
94.65213	1.7
95.04936	4.3
95.08617	39.5
97.06519	8.6
97.10171	9.4
99.08093	2.4
103.05453	2.0
105.07044	24.6
107.08616	25.5
109.06506	4.2
109.10157	25.5
111.08068	4.6
117.07050	12.0
119.08577	20.0
121.06536	3.3
121.10164	19.2
123.08063	2.9
123.11710	3.7
125.09647	6.2
131.08594	15.0
133.10146	12.6
135.08118	4.3
135.11725	10.9
137.09599	3.1
145.10121	10.9
147.11679	10.7
149.09639	3.0
149.13248	7.5
153.08960	2.4
157.10168	3.8
159.11723	6.4
161.13293	4.7
163.11147	2.9
173.11801	4.2
173.13219	4.5
177.12709	1.9
179.41571	2.4
185.13235	2.6
187.14850	2.4
189.11163	2.5
195.13898	3.2
227.12784	6.6
229.14378	18.0
257.18967	3.4
261.22238	5.3
275.20178	17.1
288.79614	2.0
335.25827	40.1
349.23700	6.7
489.35828	16.4
490.36761	2.1
505.35214	2.1
522.38617	3.8
529.38934	100.0
530.38849	2.4
545.25128	4.3
605.27325	6.3
609.45673	14.0
641.47473	6.9
691.50488	2.6
694.36652	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	693.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01871	1.1
55.05517	1.3
57.02225	0.3
57.03450	1.9
57.07084	0.4
61.02934	4.0
67.05508	2.8
69.03429	2.5
69.07085	0.9
71.05011	1.1
71.52312	0.4
73.02924	3.3
79.05506	2.5
81.03421	2.7
81.07068	2.7
83.01343	0.8
83.04981	1.6
83.08646	1.0
85.02911	4.9
87.04488	0.4
91.03957	2.5
91.05498	2.4
93.07053	3.3
95.04981	1.1
95.08621	1.6
95.47239	0.3
96.08994	0.3
97.02903	3.9
97.06544	0.7
97.10183	0.4
99.04478	0.9
101.02396	1.5
103.03930	0.3
105.07062	1.5
107.04991	1.0
107.08611	2.3
109.02869	1.6
109.06529	0.9
109.10187	1.3
110.10577	0.4
111.04457	0.4
111.08141	0.4
115.04010	0.4
117.07061	0.9
119.08618	1.1
121.06565	0.4
121.10129	1.5
123.08118	1.2
123.11759	0.6
127.03932	2.0
129.06978	0.3
131.08627	0.7
133.10135	0.6
135.08119	0.4
135.11732	2.0
137.09691	0.4
143.08649	0.4
145.05043	0.7
145.10115	2.6
149.09724	0.3
153.12804	0.5
163.11185	3.8
163.12361	0.3
164.07219	0.3
164.11627	0.3
165.09152	0.6
173.09691	0.6
181.12354	0.4
181.83946	0.3
185.04301	0.9
191.10657	0.5
203.05388	0.5
209.11748	0.8
227.12968	0.4
243.08455	1.9
249.11050	0.6
283.15521	1.1
286.04764	4.1
301.07080	8.6
305.13885	0.4
437.25351	0.5
438.25635	0.6
464.27667	0.9
467.18887	12.4
467.25296	0.6
495.28751	0.4
496.30136	0.9
515.18030	1.0
525.16534	0.4
528.19818	0.4
529.19946	0.5
598.77533	0.3
603.23230	0.4
662.25409	0.3
693.31042	100.0
694.31622	2.7
702.94928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.8
53.03934	3.4
55.01861	3.6
55.05512	16.4
57.03438	13.5
58.71336	0.8
59.04993	1.8
61.02909	2.6
61.12365	0.7
65.03927	2.0
67.05507	25.1
68.99809	0.9
69.03423	7.5
69.07067	10.3
71.01346	1.3
71.04996	6.8
71.31249	0.8
71.52404	1.6
73.02928	0.9
78.47703	0.8
79.05495	29.0
79.05966	1.5
81.03420	83.9
81.07058	32.5
83.04978	17.7
83.05462	1.2
83.08621	29.8
85.02905	29.1
85.06536	3.1
87.04449	1.5
91.03957	1.1
91.05482	37.4
93.07048	21.0
93.07632	1.2
95.04968	31.8
95.08604	12.0
97.02911	6.8
97.06521	5.9
97.10155	5.2
98.18235	0.8
99.04443	1.3
99.08082	1.4
105.07035	27.0
107.04964	11.6
107.08611	10.7
109.02885	4.4
109.06515	6.6
109.10154	4.7
111.04446	5.8
111.08089	13.4
113.06007	3.1
115.05421	2.1
117.06978	1.8
119.04951	1.5
119.08588	24.0
121.06490	2.9
121.10150	11.6
123.08072	3.6
123.11714	3.2
125.05947	1.3
125.09634	2.2
127.03891	4.0
129.06073	0.8
129.07005	14.1
131.08566	16.7
133.06523	3.7
133.10132	17.1
135.08049	2.9
135.11685	2.3
137.09605	2.5
141.01875	0.9
142.07773	3.5
145.04956	1.2
145.06531	1.2
145.10089	3.0
146.08098	0.9
147.04407	1.1
147.08089	4.3
147.11699	20.9
149.02344	3.2
149.09636	8.4
151.11200	2.0
157.10129	18.5
159.11713	0.9
163.11159	2.1
165.12764	5.8
168.00563	2.5
175.07585	0.9
175.11188	22.0
178.64796	0.8
186.01604	1.6
188.38495	0.8
193.12250	56.9
194.12515	1.3
211.13297	65.7
212.13623	1.0
220.21115	0.9
245.09674	0.8
267.15915	43.5
277.14337	1.1
283.15506	1.5
285.03983	2.7
285.16965	66.3
286.04727	40.6
286.17303	1.9
287.05518	1.1
295.99210	0.8
301.07071	76.1
313.07141	0.9
353.11472	0.9
367.22632	1.6
385.23831	3.8
403.24731	1.7
419.11337	1.0
433.26105	1.5
441.26425	1.3
443.12918	0.9
444.13846	1.8
455.34256	1.0
459.27426	38.6
477.28467	44.1
495.29550	100.0
496.29733	2.4
519.21869	0.9
553.59302	1.0
639.33734	1.4
692.39661	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01885	3.1
55.05515	15.8
57.03192	0.6
57.03442	16.8
59.04996	1.2
61.02925	4.5
65.03951	1.7
67.05507	26.8
69.03433	5.7
69.07071	6.9
70.68509	2.4
71.05002	6.0
73.02911	0.9
77.03940	0.9
79.05499	27.7
81.03423	85.9
81.07061	33.2
83.04986	19.2
83.08623	30.1
84.60665	0.8
85.02912	35.6
85.06564	3.3
91.03970	1.6
91.05490	39.2
93.07052	21.8
95.04972	36.9
95.05565	1.9
95.08614	11.5
97.02895	5.7
97.06521	5.2
97.10187	5.5
99.04475	1.1
99.08118	1.4
105.07036	26.8
107.04974	8.1
107.08599	8.4
109.02967	0.8
109.06517	5.3
109.10168	3.0
111.04465	3.9
111.08082	11.8
113.06039	3.3
115.05471	2.6
117.07034	2.8
119.04925	1.0
119.08588	24.5
121.06538	2.5
121.10139	11.4
123.08080	3.1
123.11771	1.9
125.09684	1.9
125.68510	0.8
127.03934	1.2
128.06219	1.2
129.07016	14.3
131.08572	13.6
133.06538	3.3
133.10152	15.9
137.09637	2.7
142.07826	2.8
145.10179	3.4
147.08112	4.0
147.11696	18.7
148.25490	0.9
149.09641	9.4
157.10133	18.9
157.11327	1.4
163.11201	1.6
165.12779	4.3
175.11208	19.7
193.12253	62.6
194.12646	1.0
211.13301	97.3
212.45123	0.8
222.38525	0.8
223.28717	0.9
249.79298	0.9
267.15933	39.7
285.16980	100.0
286.04770	3.5
286.17377	1.5
301.07114	9.3
341.83313	0.9
349.21548	1.3
367.22882	2.5
385.23755	4.7
403.24759	1.8
412.54861	0.9
433.26080	1.9
441.26233	1.1
459.27417	27.5
460.27826	1.1
477.28537	30.5
495.29565	82.5
496.30069	2.3
501.81882	0.8
507.25433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36159	1.0
51.05919	1.0
53.19415	0.9
55.01888	1.8
55.05516	8.1
57.03452	9.8
59.04967	1.3
61.02926	2.6
65.03961	1.1
67.05516	25.7
69.03419	3.8
69.07082	14.7
70.06577	1.0
71.04988	3.8
71.52735	1.8
73.02921	1.6
79.05502	18.6
79.11530	1.0
81.03434	7.2
81.07067	76.8
83.04996	7.8
83.08637	10.0
83.11014	0.9
83.62165	0.9
85.02899	4.3
85.06549	4.7
91.05492	24.0
93.07061	15.2
95.04967	3.2
95.08629	17.9
97.02882	2.6
97.06540	7.1
97.10180	2.1
99.08109	4.5
101.05978	1.4
105.07052	30.3
107.04987	2.5
107.08608	16.0
109.02885	1.4
109.06530	5.5
109.10177	4.2
111.04436	1.5
111.08093	2.5
113.06039	2.2
117.07051	2.5
117.71658	1.1
119.08591	27.9
120.59663	1.2
121.06491	1.8
121.10162	20.5
123.08091	4.2
123.11725	29.5
127.03935	2.3
127.07555	4.1
131.08589	2.9
133.10120	6.0
135.11685	3.0
137.09560	1.8
137.13269	2.6
141.09113	1.6
145.10149	3.6
147.04498	1.4
147.11708	74.8
149.13344	2.2
153.12791	2.1
157.10139	2.5
162.00571	0.9
163.11168	3.1
165.12779	31.9
175.11230	2.8
181.12230	1.2
183.13849	2.2
191.10638	1.0
193.12326	2.7
209.11688	1.1
227.12874	1.7
229.14349	7.1
267.15942	82.3
269.17429	3.3
283.15384	2.1
285.17001	100.0
286.04834	2.4
286.17355	2.4
301.07028	5.5
301.16333	2.5
327.72989	1.2
459.27386	4.0
477.28458	24.2
487.23260	1.3
495.29599	92.4
496.29987	2.0
510.70770	1.1
603.30969	1.3
621.32159	3.7
639.33551	1.5
692.26056	7.0
693.34167	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01865	7.5
55.05277	2.0
55.05516	30.8
57.03435	23.1
57.07043	2.8
59.04988	2.4
61.02925	8.1
65.03933	4.1
67.05510	100.0
69.03440	8.6
69.07077	17.2
69.45543	5.9
69.45957	6.1
71.04985	5.2
73.02933	8.0
79.05071	2.9
79.05499	39.1
81.03423	13.7
81.06593	3.5
81.07060	64.6
83.04556	1.5
83.04993	11.2
83.08621	22.6
85.02914	23.9
85.06533	6.4
87.04455	5.3
87.98328	1.6
91.05482	30.0
93.07051	44.6
95.04967	8.1
95.08616	31.1
95.11108	2.0
97.02895	7.4
97.06549	11.8
97.10159	19.5
99.04424	2.5
99.08096	2.3
105.04512	2.2
105.07027	14.9
107.04970	3.4
107.08602	34.2
109.02900	2.0
109.06496	4.0
109.10165	55.2
111.04430	2.2
111.08067	5.9
117.06982	9.0
119.08598	12.4
121.06522	2.7
121.10157	13.2
123.08064	3.3
123.11718	6.4
125.09636	12.6
127.03945	4.8
129.05493	5.7
129.07005	2.7
131.08578	12.8
133.06474	1.6
133.10139	13.9
135.08051	2.3
135.11690	14.5
137.09601	3.8
137.13280	3.3
141.28998	1.8
145.10124	4.4
147.11699	7.9
149.09583	3.6
149.13278	12.8
153.12724	4.3
155.08556	2.2
155.10732	3.0
157.10123	3.6
159.11682	9.4
163.11179	10.0
163.14798	1.9
164.11627	1.7
165.12720	2.9
173.09663	3.0
173.11795	13.8
173.13104	3.2
177.12692	3.0
181.12204	4.5
191.10728	3.5
193.12312	4.7
195.13853	12.8
199.13306	6.8
209.11726	7.9
211.13385	4.7
213.14882	2.7
227.12823	8.8
229.14374	51.1
239.16457	3.6
257.13818	2.6
267.16022	10.1
269.17508	57.3
283.15463	5.9
301.16486	18.7
359.38895	1.8
361.79794	1.7
393.26160	2.6
408.33411	3.9
411.27246	7.2
423.27457	34.4
425.33939	3.4
426.34476	11.2
431.27551	2.3
444.35083	3.3
477.28384	3.4
495.22333	3.5
495.29575	62.6
513.30511	28.4
692.40381	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01876	0.4
55.05504	1.0
56.74665	0.2
57.03434	1.9
57.07076	0.4
59.04996	0.3
61.02932	5.1
65.03955	0.3
66.90599	0.3
67.05508	7.3
68.80412	0.2
69.03433	3.4
69.07060	1.0
69.91376	1.2
71.01350	0.3
71.04985	0.8
73.02921	3.8
75.64758	0.2
79.05496	2.5
81.03425	1.9
81.07058	5.3
83.04974	0.6
83.08617	0.7
85.02910	5.8
87.04480	0.7
91.03956	3.5
91.05480	2.2
93.07060	3.2
95.08608	3.7
97.02898	4.9
97.06540	0.3
97.10146	0.3
98.20795	0.4
99.04465	1.2
101.02388	1.8
103.03972	0.4
105.07041	1.6
107.04991	0.3
107.08610	1.8
109.02900	0.7
109.06512	0.3
109.10155	5.0
111.08080	0.5
115.03943	0.6
117.07025	0.4
119.08596	1.5
121.10143	1.5
123.11782	0.3
127.03921	1.9
131.08588	0.8
133.10158	0.7
135.11745	0.6
137.09669	0.5
145.05051	0.3
145.10138	0.8
147.11707	0.7
149.13332	0.3
154.15703	0.2
155.10675	0.5
156.98112	0.2
161.13272	0.4
173.11803	1.0
173.13228	0.3
185.04285	0.6
195.09952	0.9
203.05240	0.4
229.14415	0.7
243.08418	1.9
335.26083	1.2
413.17856	5.0
428.47354	0.3
519.29340	7.6
519.36945	0.6
691.40277	100.0
692.40601	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
53.29338	0.3
55.01868	0.5
55.05510	1.1
56.27299	0.3
57.03432	1.2
61.02931	4.2
67.05506	8.8
69.03436	3.0
69.07075	1.0
69.63080	1.7
71.01367	0.4
71.04983	0.7
71.08604	0.3
73.02918	2.6
78.14757	0.3
79.05489	2.1
81.03422	1.9
81.07066	4.1
83.04993	0.3
83.08630	0.9
85.02911	4.5
87.04459	0.3
91.03954	2.5
91.04985	0.3
91.05480	1.6
93.07054	2.5
93.49847	0.3
95.04967	0.4
95.08590	2.8
97.02908	3.7
98.21464	0.6
99.04475	0.6
101.02410	1.4
105.07039	0.9
107.08604	1.2
109.02882	0.6
109.10155	6.5
109.10844	0.5
111.04454	0.3
111.08038	0.3
115.03996	0.3
117.07054	0.4
119.08595	1.7
121.06537	0.3
121.10162	1.1
127.03926	1.2
131.08582	0.6
133.10144	0.8
135.11697	0.5
135.73207	0.3
145.10152	0.6
147.11684	0.3
148.32912	0.3
155.10693	0.5
173.11801	1.6
173.13142	0.4
179.97176	0.3
185.04231	0.6
195.09996	0.6
229.14417	0.9
243.08415	2.2
335.25558	0.6
354.60938	0.3
413.17838	8.1
427.18378	0.3
519.29291	3.9
519.36664	0.3
673.42480	0.4
691.40271	100.0
692.40497	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
54.65290	0.6
55.01876	5.3
55.05516	13.9
56.39447	0.5
57.03159	0.6
57.03439	9.2
57.07072	1.2
59.04988	1.8
61.02933	3.6
65.03941	1.6
67.05511	15.5
69.03443	2.5
69.07066	5.2
70.63609	1.4
71.01357	1.0
71.04992	4.1
73.02936	1.4
77.03892	0.6
79.05500	19.0
81.03423	40.2
81.07060	20.8
83.01347	5.9
83.04492	0.9
83.04989	15.4
83.08624	19.1
85.02470	0.6
85.02910	16.6
85.06551	1.4
89.06049	0.6
91.03963	1.6
91.05486	20.9
93.07050	20.0
94.54890	0.5
95.04972	16.1
95.08615	8.4
97.02894	5.2
97.06553	3.6
97.10168	3.0
99.04472	1.4
99.08081	1.1
105.07040	14.7
107.04963	7.4
107.08607	10.3
109.02896	0.8
109.06519	5.8
109.10152	3.0
111.04462	2.9
111.08089	5.6
113.06026	0.8
115.05437	0.7
117.07024	4.3
119.08592	14.2
121.06487	2.3
121.10162	8.5
123.08073	5.5
123.11765	0.6
124.03786	0.5
125.05979	1.1
125.09657	1.1
129.07013	6.2
131.04958	0.7
131.08583	7.5
133.06506	1.4
133.10138	6.5
135.08104	1.6
135.11705	6.3
137.09636	1.3
142.07782	1.4
143.08667	0.8
145.06480	1.1
145.10136	9.4
147.08066	2.9
147.11690	8.6
149.09589	3.5
153.12796	1.2
154.45650	0.5
155.08548	1.5
157.10144	7.5
163.11192	13.9
165.12804	1.7
173.09616	2.3
175.11217	8.7
181.12262	1.7
190.21268	0.5
191.10687	1.7
193.12260	23.4
209.11722	3.9
211.13310	39.3
212.13623	0.6
227.12737	2.5
250.42902	0.6
265.14349	0.6
267.15915	8.9
267.18576	0.6
283.15405	49.8
284.15872	1.0
285.16986	33.1
286.17505	0.6
361.97379	0.6
383.22128	2.5
401.23560	0.8
457.25934	3.1
475.26932	15.2
493.27997	100.0
494.28470	4.1
499.57449	0.6
525.52234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01879	1.8
55.05521	1.2
57.03440	7.1
59.05005	100.0
61.02934	1.2
62.88509	0.4
67.05515	1.8
68.99789	0.7
69.03439	5.6
69.07079	2.2
69.79971	1.6
69.80389	1.0
70.06609	1.1
71.04997	1.7
73.02927	1.5
79.05514	1.3
81.03422	6.8
81.07043	2.8
82.06580	0.5
83.04964	0.7
83.08651	0.8
84.08148	0.9
85.02909	14.0
87.00834	5.2
87.04472	1.2
89.06061	1.6
91.05505	1.8
93.07071	1.9
95.04987	1.5
95.08618	2.6
97.02903	6.8
97.06570	1.9
97.10205	1.0
97.56335	0.4
99.04455	3.3
99.08118	1.6
100.07630	0.8
101.09698	1.6
103.03951	0.7
105.01873	3.2
105.07053	1.5
107.04964	0.9
107.08621	1.2
109.02882	7.9
109.03590	0.5
109.10175	1.8
111.04433	1.0
111.08141	0.5
115.07580	3.5
117.01862	1.0
117.09141	36.6
119.08617	1.3
119.91653	0.4
121.06509	0.7
121.10172	1.8
123.11772	0.8
127.03927	10.1
127.04807	0.7
128.07089	0.5
129.01900	1.2
133.08644	0.8
133.10194	1.3
135.10210	0.5
135.11722	1.0
136.48129	0.4
137.06000	1.0
137.08015	0.5
139.11246	1.0
145.02913	0.5
145.04990	4.5
145.10101	0.6
146.08142	0.8
147.11737	0.5
149.09673	0.8
151.07610	0.7
157.10110	0.7
159.02983	2.0
159.07933	0.6
163.04056	0.5
167.07031	1.2
173.13177	0.6
175.13315	24.6
177.05516	1.0
183.02979	0.5
183.13879	0.8
191.10759	0.6
193.14450	1.1
197.15459	1.0
213.04027	1.0
221.84015	0.4
231.04997	2.2
233.17500	11.9
249.06204	0.6
251.18532	5.5
289.09219	0.7
291.21741	2.7
309.22797	1.7
367.27057	1.1
424.30630	0.5
425.31143	24.9
465.30481	0.6
475.27454	1.6
479.32675	0.8
540.83630	0.5
585.66547	0.6
664.97705	0.5
690.15656	1.1
690.38916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05504	1.0
57.03423	0.9
57.07071	0.4
59.04992	0.5
67.05499	0.9
69.03436	0.4
69.07069	1.3
69.15658	0.5
69.16057	2.8
79.05490	1.1
81.03423	1.5
81.07056	1.8
83.04978	0.9
83.08635	1.5
85.02905	0.8
89.06017	0.5
91.05475	1.5
93.07044	1.9
95.04987	0.7
95.08627	1.5
97.02887	0.6
97.06503	0.7
97.10173	0.4
99.04473	0.3
99.89417	0.4
100.07671	0.3
105.07010	0.7
107.04986	0.5
107.08604	1.1
109.06556	0.3
109.10176	0.7
111.04449	0.4
119.08584	0.9
119.25928	0.3
121.10151	0.8
129.06946	0.3
133.10127	0.6
135.11710	0.5
136.92992	0.3
145.10172	0.7
146.08150	1.0
147.04387	0.3
147.11729	0.6
157.10217	0.3
163.11244	0.7
175.11162	0.5
177.11176	0.4
191.10660	0.4
193.12242	0.4
227.12817	0.3
267.16022	1.0
268.16321	0.7
283.15488	1.0
284.15854	0.9
285.16937	0.5
301.07166	0.4
368.43896	0.3
400.15570	1.1
413.16199	0.7
414.16962	0.4
415.13766	0.4
416.14880	0.4
427.18265	0.7
428.15030	0.8
429.15311	1.4
430.16354	2.4
431.17532	0.5
440.14636	0.3
441.20087	0.6
442.16724	0.5
443.17542	2.2
443.29858	1.0
444.18060	0.9
455.17334	0.9
456.13617	0.5
456.19052	0.5
457.19061	3.5
458.20135	1.6
459.21069	1.4
467.17361	0.9
468.18207	0.4
469.14597	0.5
470.12436	1.2
476.27472	0.7
483.12994	1.2
483.17834	0.8
484.13480	4.5
485.14661	1.2
485.18961	1.0
487.20114	0.4
488.16827	0.3
493.21024	0.3
493.28067	1.2
494.28223	1.7
495.16684	0.5
496.17221	0.5
497.14731	1.6
497.18832	1.3
498.15091	3.5
499.16122	2.9
500.17181	0.4
501.18011	0.4
509.18658	0.3
510.19217	0.9
511.16135	2.4
512.16882	3.9
513.17706	6.6
514.18292	2.6
523.15790	2.3
525.17633	3.2
526.18494	0.9
527.19708	2.2
529.20905	0.6
539.15576	0.6
543.21075	0.4
544.19727	0.6
545.24554	1.4
555.18219	1.6
569.19983	0.4
571.18604	1.2
572.21637	0.4
573.23712	2.7
585.19873	1.0
589.23108	0.4
599.21289	1.6
600.22327	2.9
601.23041	9.2
602.20013	0.6
614.22644	0.6
615.24146	0.5
616.22009	0.4
617.22479	1.6
631.23541	0.4
632.24908	1.5
633.22150	0.6
659.23724	1.0
660.23816	0.6
661.21210	0.7
673.24847	0.5
676.24139	0.8
691.26154	100.0
692.26575	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	3.8
55.05273	0.9
55.05517	12.0
57.03441	9.4
57.07071	1.8
59.05005	1.4
61.02921	1.8
65.03934	0.9
67.05510	15.8
67.66772	0.6
69.03430	3.4
69.07072	8.0
70.64085	1.9
71.01394	0.6
71.05011	3.9
73.02925	1.5
79.05498	22.2
81.03420	35.2
81.07059	22.7
83.01347	1.4
83.04987	9.8
83.08626	19.2
85.02908	14.2
85.06538	1.5
89.06059	2.7
91.03962	1.1
91.05487	19.9
93.07049	27.4
95.04978	14.9
95.08612	23.6
97.02902	5.3
97.06517	4.6
97.10165	4.4
99.04447	2.9
99.08102	1.1
105.04537	0.7
105.07038	17.9
107.04959	9.2
107.08600	18.3
109.02901	0.8
109.06521	4.6
109.10155	3.0
111.04452	3.2
111.08096	6.1
113.06002	2.0
115.05481	0.7
117.07027	6.6
119.08591	14.7
121.06509	4.8
121.10139	11.7
121.10938	1.0
123.08074	2.4
123.11681	0.9
125.05991	1.9
125.09642	1.4
127.03909	1.1
127.07577	0.9
129.07004	5.1
130.07793	1.0
131.08554	5.6
133.06473	1.8
133.08615	1.4
133.10126	7.8
133.95284	0.5
135.08084	0.9
135.11697	29.8
137.09647	1.3
137.13304	1.1
139.07524	1.4
142.07755	0.9
143.08572	0.7
145.04962	0.8
145.10127	19.5
147.04364	0.6
147.08054	2.5
147.11705	7.8
149.09607	2.6
153.12822	0.9
155.08635	0.7
157.10136	7.4
163.11185	41.4
164.11536	0.9
165.12750	1.8
173.09630	1.0
175.11201	8.3
177.05423	0.6
177.11252	0.9
181.12219	5.7
191.10593	0.7
193.12250	23.9
205.52524	0.6
209.11783	2.2
211.13300	28.4
227.12790	42.7
228.13248	1.0
239.14944	0.7
249.14807	0.9
267.12994	1.0
267.15921	24.1
283.15396	56.8
284.15634	1.1
285.16980	44.0
286.17392	1.0
301.54559	0.6
459.32956	0.6
475.26923	30.2
476.27457	1.0
493.27985	100.0
494.28079	2.8
510.18787	1.0
690.31757	0.9
691.38458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.4
55.10995	2.5
57.03423	3.9
57.07082	100.0
58.04220	9.4
58.95461	2.3
59.05003	35.2
67.05511	7.1
67.51640	2.3
69.07067	5.3
69.55553	16.0
71.08639	60.1
72.05792	12.8
73.02927	8.7
73.06571	31.2
77.52303	2.9
79.05466	2.4
80.34511	2.7
81.07066	7.0
82.98022	2.4
83.08616	5.8
85.10194	41.9
87.04475	25.2
87.08115	3.1
88.05254	4.6
89.06033	29.7
89.31924	2.5
90.01928	53.2
93.07053	3.7
95.08618	6.2
97.10167	6.5
99.11729	7.0
101.05997	4.1
103.07612	16.6
107.08627	3.6
113.13261	3.4
116.08371	4.5
117.09121	20.2
131.07080	3.3
133.08606	14.9
147.10179	3.3
152.15601	3.7
155.17946	6.3
161.11711	2.9
177.11252	9.9
178.07149	8.1
183.17415	3.8
194.13914	4.2
205.14532	3.0
208.15503	5.3
213.22231	4.4
221.13916	3.0
222.09802	11.1
222.16969	4.1
251.89401	2.9
252.18166	5.2
255.16806	3.0
257.24799	4.1
266.12466	3.6
266.19781	6.0
282.19354	5.4
285.17725	3.4
296.20853	7.5
310.22223	9.6
335.67300	2.9
354.24683	4.9
362.32800	5.6
370.23917	3.7
384.25711	3.0
406.35205	3.5
445.19785	2.8
450.37894	10.2
460.23746	6.4
513.38690	4.4
538.43042	22.2
554.42548	3.7
570.39856	3.4
582.45782	5.3
656.05487	3.2
689.28461	9.5
689.47620	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	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.2
53.03944	11.3
55.01872	8.6
55.05517	33.8
57.03432	13.8
57.07073	2.5
61.02931	2.1
62.11254	1.4
65.03951	5.7
67.05511	82.7
69.03432	28.5
69.07069	23.0
71.01369	2.0
71.04996	11.1
73.02920	3.4
79.05499	67.9
81.03422	100.0
81.07059	82.3
83.04992	20.8
83.08621	23.7
85.02914	19.4
85.06543	4.7
89.06055	2.1
91.05486	62.7
93.07050	68.1
95.01371	3.4
95.04974	46.4
95.08613	47.6
97.02901	19.9
97.06527	10.2
97.10178	7.4
99.04475	7.0
103.03921	5.2
103.05492	2.5
105.04536	2.3
105.07036	49.1
107.04947	11.7
107.08597	38.0
109.02891	18.4
109.06542	10.4
109.10176	17.9
111.04426	11.6
111.08067	10.6
113.06070	3.0
115.05478	4.1
117.07021	23.5
119.04966	2.7
119.08591	38.8
121.06526	7.0
121.10155	28.9
123.04440	12.9
123.08092	7.1
123.11730	6.6
125.09661	4.5
127.03944	12.7
128.06223	4.3
129.05513	2.1
129.07022	19.1
131.04959	4.5
131.08568	32.9
133.06509	6.5
133.10132	20.0
135.08092	6.9
135.11705	16.9
137.05977	3.3
137.09578	4.3
141.07053	3.0
142.07806	5.7
143.08571	10.1
145.06514	5.8
145.10130	24.3
147.04414	3.7
147.08092	7.3
147.11699	27.2
149.06038	3.2
149.09677	7.4
149.13309	7.9
151.11217	2.8
153.09177	2.4
155.08609	8.0
157.06564	3.2
157.10139	17.8
159.08076	3.9
159.11714	13.4
161.06007	3.1
161.09682	4.2
161.13234	8.2
163.11177	13.0
165.12779	7.3
167.08597	3.5
169.10205	6.7
171.11736	7.5
173.04510	7.1
173.06003	1.9
173.09676	3.2
173.13312	7.5
175.11194	13.0
175.14845	3.0
181.10175	4.8
181.12317	4.0
183.11728	5.9
185.09698	3.1
185.13322	4.7
187.07512	2.3
187.11270	3.1
187.14854	2.7
189.12779	4.0
191.10770	3.6
193.10500	1.9
193.12236	34.5
195.11687	2.3
196.01920	1.8
197.13228	3.0
199.11238	2.4
199.14842	4.2
201.12822	3.1
201.16466	2.4
203.14371	2.7
207.13704	2.0
211.11340	1.8
211.13283	45.3
213.12761	2.2
223.13205	2.3
225.16498	2.4
227.12839	6.5
229.14359	3.1
229.54329	1.8
235.13242	12.9
239.81302	1.8
259.13278	4.1
259.20599	2.3
261.22180	8.4
267.15909	12.7
273.14957	7.2
277.14499	3.8
285.16995	10.5
297.22134	2.6
301.14349	8.8
301.21686	2.5
309.17191	3.4
319.15448	2.8
327.23209	2.6
335.25827	23.4
337.16803	3.3
345.24384	2.2
351.23013	3.8
355.17584	5.2
369.24268	11.2
375.18222	2.7
387.25485	5.8
393.19211	2.6
411.20047	8.3
425.26495	2.0
435.32718	3.6
436.04697	2.3
443.27991	4.3
453.33090	2.2
461.29178	6.9
470.16245	1.7
509.36722	2.5
527.37433	17.4
543.36121	2.2
545.38379	10.3
569.38361	4.0
575.25885	2.1
597.37640	2.6
611.39703	3.6
635.38947	5.9
653.40790	14.0
671.41492	17.9
689.42615	80.3
690.42987	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	689.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.7
51.02386	1.7
51.05083	1.0
51.77489	1.2
53.03952	12.2
54.46396	1.1
55.01876	6.6
55.05274	2.4
55.05520	32.6
57.03447	14.3
57.07069	3.6
58.81412	1.1
61.02941	1.6
64.11920	1.1
65.03952	6.4
67.05513	76.1
69.03438	31.9
69.07077	24.3
71.01366	2.3
71.05015	9.3
71.08614	1.1
73.02907	1.3
73.25440	1.2
79.05501	69.7
81.03429	100.0
81.07066	73.5
81.07442	0.9
83.04989	24.9
83.08627	24.2
85.02916	15.6
85.06532	3.5
87.04479	1.4
89.71897	1.2
91.05495	57.4
93.07056	70.4
95.04980	26.6
95.08616	50.7
97.02903	22.0
97.06544	9.0
97.10188	6.8
98.21492	2.4
99.04462	8.2
99.08126	3.6
103.05492	1.8
105.04535	1.9
105.07040	48.2
107.04970	11.1
107.08604	37.2
108.81184	1.2
109.02888	20.5
109.06524	7.7
109.10170	17.4
111.04453	14.2
111.08103	11.3
115.05505	3.6
116.06238	1.5
117.07035	15.5
119.08604	37.4
121.06557	6.8
121.10159	28.5
123.04469	2.1
123.08063	5.4
123.11739	6.0
125.09627	4.0
127.03947	11.0
128.06273	2.7
129.05486	4.0
129.07008	17.9
131.04947	2.7
131.08591	25.8
133.06502	5.7
133.10155	24.8
135.08095	3.4
135.11722	15.3
137.06049	1.5
137.09662	3.6
139.11235	2.4
141.07037	3.9
142.07799	4.2
143.08591	10.7
145.06522	4.5
145.10138	17.8
147.08105	5.1
147.11702	27.6
149.05984	2.2
149.09674	7.0
149.13274	6.6
151.11253	2.8
153.07008	1.7
153.12802	2.5
155.08582	4.6
157.06467	2.2
157.10146	18.8
159.08061	3.3
159.11700	10.2
161.09746	1.8
161.13295	5.9
163.11241	4.7
163.14844	2.5
164.31310	1.5
165.06989	1.4
165.12801	4.7
169.10161	4.4
171.08180	2.1
171.11671	7.5
173.04497	6.7
173.09666	3.8
173.13283	7.5
175.11179	13.8
175.14906	2.2
177.12787	2.8
181.10126	2.5
181.12297	3.5
183.10248	1.5
183.11726	5.4
185.13264	5.9
187.11220	1.9
187.14870	2.9
191.10722	4.4
193.12262	34.6
195.11784	3.3
197.09557	1.6
197.13338	3.6
199.11221	2.0
199.14828	2.4
201.16502	1.4
207.11867	1.3
209.11620	1.7
209.13344	3.3
211.11417	2.5
211.13301	59.0
211.15215	3.5
211.96045	1.5
213.12901	3.1
221.13187	1.5
223.14963	1.4
223.31050	1.4
227.12816	4.0
229.02164	1.5
229.14427	4.2
235.13411	1.6
249.14722	1.8
259.20773	2.5
261.22137	6.4
267.15945	10.9
273.14896	2.9
277.21683	2.0
283.15802	1.6
285.17020	8.6
289.21460	3.1
291.19724	1.5
301.21564	2.8
315.23227	1.8
317.24823	2.2
319.22922	2.1
327.23096	2.1
335.25882	18.3
337.16779	2.7
351.23315	3.5
355.17661	8.9
369.24243	6.6
387.25400	4.0
393.19296	2.2
405.26468	3.5
411.20251	6.7
435.32922	2.2
443.28049	2.5
453.33987	1.7
461.29254	5.2
471.34619	1.9
517.39429	1.5
527.37335	15.6
543.36639	1.8
545.38507	10.4
635.39758	1.9
653.40594	5.5
671.41437	9.2
689.42670	92.7
690.42920	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01872	1.0
55.05519	4.9
57.03434	2.7
57.07086	0.9
59.04993	1.1
65.03959	1.1
67.05183	1.1
67.05512	13.4
69.03438	3.6
69.07070	3.2
71.01340	0.7
71.05007	0.9
76.75196	0.7
79.05498	13.5
81.03422	10.5
81.03876	1.1
81.07060	11.8
83.04990	2.4
83.08619	2.6
85.02915	3.3
91.05489	9.0
93.07046	11.6
95.04967	9.6
95.08620	7.1
97.02901	2.0
97.06559	1.4
97.10184	1.8
98.20757	1.5
99.04491	0.9
103.03954	1.6
103.05457	0.8
105.07040	7.2
107.04975	3.2
107.08589	5.9
109.02905	2.5
109.06534	2.0
109.10159	3.6
111.04444	1.7
117.07021	3.5
119.08578	4.7
121.06532	1.8
121.10147	4.5
123.04439	5.8
123.08092	0.8
123.11726	1.4
125.09652	1.3
129.07063	2.2
131.04947	1.4
131.08604	4.8
133.06567	1.5
133.08641	0.7
133.10153	2.7
135.08063	1.0
135.11716	3.0
140.29613	0.8
141.07007	1.2
142.81549	0.6
143.08589	1.9
145.06502	1.2
145.10139	3.8
147.04460	1.6
147.08084	2.2
147.11678	3.5
149.09630	0.9
155.08566	1.4
157.06537	0.9
157.10165	1.8
159.11742	2.4
163.11208	3.6
171.08008	1.0
171.11746	1.2
173.09630	1.1
173.13292	0.9
175.11211	0.9
185.13274	0.8
188.44931	0.7
189.05553	1.0
189.12761	1.4
191.10741	1.2
193.12315	2.6
197.13251	0.7
205.12215	1.1
211.13370	2.8
217.12282	1.0
223.13353	0.9
235.13367	5.9
259.13345	2.1
261.22293	1.4
273.14838	3.7
277.14438	1.0
301.14423	4.0
309.16821	1.0
319.15445	1.1
335.25854	6.3
350.40582	0.7
375.17984	2.3
384.12540	1.3
385.13992	1.2
393.19205	1.1
397.13235	1.2
398.13675	6.4
399.14780	4.4
400.16440	8.0
411.14935	1.2
411.20065	1.1
412.15399	8.9
413.16113	10.7
414.16721	1.1
416.14981	2.0
418.17728	2.6
425.16702	1.4
426.17438	3.5
427.17822	11.0
428.18680	15.5
429.19522	1.4
430.16910	1.4
438.16989	1.0
439.17847	1.3
440.14209	1.7
441.14749	3.4
444.14197	1.2
445.19156	2.2
446.17273	1.2
453.16113	0.8
454.16437	0.9
455.17172	44.0
456.17865	5.2
457.14346	3.7
458.16061	6.5
459.16537	5.8
466.16458	0.9
468.18765	0.7
469.15152	1.6
470.15982	0.8
471.16721	3.5
472.17490	2.6
473.18152	2.0
483.16656	36.2
484.17197	3.1
485.14493	0.7
486.18942	2.3
487.20480	8.1
495.16727	1.4
497.18365	1.4
499.16714	0.7
501.18039	1.8
505.20905	1.0
515.19336	5.6
516.20172	2.5
523.16345	4.4
527.15338	8.0
527.37299	1.9
537.17719	1.9
538.18207	2.0
541.20776	1.8
542.21320	1.3
545.39001	1.6
555.19141	4.1
559.21826	0.9
569.20245	2.8
569.38416	2.2
570.20953	7.1
574.24316	16.4
587.21594	2.9
597.19849	0.8
601.22894	10.1
602.23755	100.0
603.24042	4.2
611.39832	1.0
612.21674	1.1
629.22510	26.3
630.22278	3.5
633.25269	4.6
635.38867	1.1
643.23938	5.7
653.40045	1.8
657.21912	22.6
661.24896	6.3
671.24438	0.8
671.41357	1.9
689.24707	13.5
689.42242	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	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.7
57.01904	0.5
57.07020	1.6
59.04962	0.6
67.05440	1.7
69.03381	1.2
69.07017	0.9
69.47580	1.2
69.48001	2.4
71.08556	1.7
79.05441	1.2
81.03347	1.6
81.07006	1.4
83.04926	0.5
83.08575	0.9
85.02840	0.6
85.10104	1.7
87.04401	0.8
89.05963	2.0
91.05411	2.1
91.05923	0.7
93.06966	2.1
93.07476	0.6
95.08542	1.2
98.21551	1.0
103.03853	1.5
105.06962	1.3
107.08561	0.9
109.10066	0.7
117.06905	0.6
119.08487	1.3
119.09291	0.5
130.23863	0.5
133.08542	1.6
133.10118	0.5
135.11655	0.9
147.11555	0.8
149.09581	0.6
152.98221	0.5
195.53947	0.5
280.22220	0.5
335.25906	1.1
341.37885	0.5
370.10834	0.6
384.12103	2.8
385.12988	4.8
386.14154	0.9
387.14963	0.6
397.13089	1.1
398.13818	8.2
399.14536	12.8
400.15475	17.3
400.41129	0.5
401.16299	0.6
403.15088	0.6
411.14423	1.4
412.15381	8.0
413.16150	16.0
414.16953	10.7
416.14825	0.8
418.17691	1.9
423.14886	0.6
424.15454	0.8
425.16449	1.5
426.17151	3.2
427.13251	2.6
427.18445	11.9
428.18735	12.9
429.19461	12.2
438.17395	0.6
440.14725	1.9
441.14740	5.8
442.16290	11.8
444.14450	1.6
445.19043	1.1
446.17926	0.8
453.15753	0.8
454.16666	0.6
455.17166	28.9
456.17752	15.0
457.14301	0.7
457.18918	0.9
458.15839	2.8
459.16666	5.1
460.17105	1.3
469.15088	2.3
470.20233	0.6
471.16409	1.5
472.17218	1.6
473.18167	1.0
480.14059	0.7
481.15118	1.5
482.15665	1.3
483.16656	24.4
484.16125	4.1
486.19305	1.3
487.16138	3.3
487.20956	1.3
488.16617	1.3
495.16867	1.9
499.16193	7.1
499.22748	0.9
500.16736	1.4
501.17731	1.0
509.15268	0.8
510.18475	0.6
511.20560	3.5
512.13208	1.0
513.14374	0.6
515.19226	1.9
516.19641	0.9
523.15833	2.4
524.16510	0.9
527.15552	25.5
527.37488	0.7
528.15887	9.5
537.17328	1.2
538.18433	1.0
539.19397	11.4
540.19849	0.7
542.21680	1.2
543.22430	16.6
544.22925	0.6
555.18738	1.8
568.18402	0.9
569.20227	1.5
570.20483	0.6
571.21918	100.0
572.22144	5.2
573.20813	0.7
574.24426	5.9
586.20685	1.4
587.21362	2.0
587.92084	0.6
601.22925	8.1
602.23798	30.1
603.23993	1.2
614.19800	1.0
615.20807	3.8
617.25732	1.6
629.22449	26.1
630.22754	30.4
631.23029	1.4
633.25684	1.5
643.24103	1.7
657.21967	58.1
658.22119	3.4
661.25031	5.9
689.24561	23.0
689.42950	1.3
690.24805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31570	0.9
55.05500	2.9
57.07082	86.9
59.05010	12.4
67.05511	3.6
69.07080	1.3
70.96347	2.1
71.08638	55.5
73.06579	4.1
79.05495	1.7
81.03429	1.9
81.07049	1.9
83.04954	1.0
83.08614	1.7
85.02876	0.8
85.10188	45.1
86.09722	1.2
87.04478	15.2
89.06039	100.0
91.05491	2.2
91.07658	0.9
93.07070	1.1
94.38728	0.8
95.05006	1.3
95.08630	1.3
97.10173	1.6
99.11732	6.9
103.07565	8.0
105.07019	1.0
107.07098	1.2
109.10162	1.2
110.48293	0.9
113.13309	2.1
115.06207	0.9
117.09140	3.4
124.90405	1.0
125.00031	1.3
130.08643	3.5
131.07040	6.5
133.08618	79.2
155.17943	5.9
161.11723	1.0
175.09677	3.9
177.09659	1.8
177.11240	37.4
184.07381	3.3
213.22151	5.6
219.12300	2.3
221.13882	6.6
229.14273	1.1
239.14911	1.7
257.24881	5.4
265.16507	2.9
271.84357	1.0
283.17609	1.8
299.87891	1.0
309.19141	1.6
327.20108	2.0
337.26764	1.6
353.21783	2.2
397.24442	1.1
415.25354	2.0
459.28131	16.0
499.30942	3.4
573.32715	1.0
667.29224	0.9
671.49500	2.5
688.52325	9.7
689.41895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.5
53.21542	0.4
55.01879	3.6
55.05517	8.4
57.03435	5.2
57.07055	0.7
59.05003	2.4
61.02894	1.5
65.03925	0.7
67.05508	9.7
69.03402	1.2
69.07071	4.7
70.63886	0.9
70.64227	0.4
70.80515	0.4
71.01322	0.7
71.04999	2.2
71.06480	0.4
73.02885	1.3
73.87487	0.4
79.05502	15.5
81.03008	0.5
81.03423	6.7
81.07058	12.9
83.00916	0.4
83.01351	3.5
83.04988	5.9
83.08622	8.6
83.65089	0.4
85.02906	3.2
85.06512	1.3
87.04442	0.8
89.05995	1.1
91.03922	0.8
91.04990	0.5
91.05488	8.1
93.07052	20.7
95.04989	4.0
95.08614	15.2
97.02895	3.0
97.06548	3.7
97.10146	1.4
99.04471	2.5
105.07040	6.5
107.04958	6.1
107.07904	0.8
107.08604	15.3
109.06519	3.5
109.10168	2.6
111.04424	1.3
111.08030	1.7
111.11692	0.4
117.07027	5.7
119.07822	0.6
119.08592	8.1
121.06532	3.1
121.09352	0.6
121.10149	8.9
123.04486	0.4
123.08070	4.5
123.11679	0.5
125.05949	1.4
125.09608	0.8
127.03930	1.0
129.06985	1.1
130.07785	0.7
131.08603	2.0
133.08563	1.0
133.10139	2.5
135.08084	2.1
135.11705	21.9
137.05951	0.5
137.09578	0.6
139.07535	1.2
143.08545	1.0
145.06439	0.8
145.10133	17.4
147.07982	1.2
147.11606	0.8
149.09608	0.7
149.13234	1.9
153.12758	2.7
155.08534	0.6
157.10147	0.6
159.11646	0.5
161.09660	0.4
163.11192	34.3
164.11490	0.6
167.14273	1.3
173.09566	2.2
181.12244	6.0
185.15335	2.0
191.10693	1.4
193.12318	0.6
209.11742	4.1
227.12804	24.6
233.70969	0.5
243.19711	0.7
261.11850	0.4
265.14413	0.5
267.15854	1.3
283.15414	100.0
284.15805	0.9
299.15021	0.5
301.23682	0.5
405.32050	0.6
419.66544	0.5
459.27280	0.8
473.25250	0.7
491.26440	80.7
492.26755	1.6
681.59174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
55.05503	2.9
57.03440	1.3
57.07078	94.6
59.05005	30.3
67.05515	5.5
68.18107	0.8
69.03439	1.0
69.07065	4.4
69.22817	1.9
69.23215	7.4
71.08634	100.0
72.62484	0.8
72.92058	0.9
73.06539	1.7
77.97366	0.9
79.05476	2.4
81.03428	1.7
81.07058	3.8
83.04967	1.0
83.08614	4.8
85.02888	1.0
85.10187	91.6
86.10497	0.8
87.04474	12.6
89.06036	83.4
91.05493	2.7
93.07053	3.8
95.04960	4.0
95.08604	2.6
97.10173	3.2
99.11730	10.6
101.09673	2.7
103.07619	1.3
105.07028	1.8
107.07099	1.3
107.08586	2.0
109.06543	0.8
109.10172	1.6
117.07012	0.9
117.09123	5.7
119.08548	1.9
121.10123	2.4
123.04453	1.2
129.09079	1.0
130.08632	2.8
131.07071	5.9
133.08607	64.2
135.11748	1.4
141.16386	12.2
173.11818	1.0
175.09697	3.5
177.11230	28.2
188.40019	0.9
199.20566	25.4
219.12250	1.4
221.13831	6.0
230.14760	1.0
235.13258	2.1
240.23358	2.6
254.17447	0.9
257.24774	10.7
262.51996	0.8
263.41876	1.4
265.16428	1.2
283.17450	2.3
301.14368	0.9
309.19064	1.1
327.20175	2.3
335.25745	1.8
336.25906	0.9
371.22531	2.5
397.24323	1.2
415.25348	19.3
455.28488	3.0
473.29471	3.2
476.57910	0.9
503.30524	2.6
510.15170	1.0
513.32587	1.6
671.49731	1.7
688.52130	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	688.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
55.01879	5.0
55.05516	8.5
55.05761	0.3
57.03441	6.8
57.07041	0.7
59.05006	2.3
61.02928	3.0
65.03909	0.7
67.05509	7.4
69.03445	1.4
69.07075	2.5
70.15084	0.7
70.15456	0.3
71.01373	1.1
71.05005	2.5
73.02877	0.8
73.06530	0.2
74.40224	0.2
77.03897	0.2
79.05499	12.9
81.03423	8.0
81.07061	11.6
83.01348	7.2
83.04989	7.5
83.08627	7.3
83.09370	0.2
84.54673	0.2
85.02913	5.4
85.06499	0.8
87.00835	0.2
87.04448	0.4
89.06006	0.5
91.03957	1.3
91.05492	9.2
93.07052	16.4
95.04974	4.7
95.08616	5.3
96.07983	0.2
97.02317	0.2
97.02897	3.2
97.05934	0.3
97.06532	3.5
97.10163	1.1
98.21380	0.2
99.03862	0.2
99.04467	2.3
99.08097	0.4
103.05439	0.4
105.04527	0.3
105.07040	6.1
107.04964	5.8
107.08603	9.3
109.02850	0.6
109.05831	0.3
109.06526	4.8
109.10153	1.7
111.04460	2.2
111.08097	1.6
111.11753	0.4
113.05955	0.2
115.05420	0.3
117.06255	0.3
117.07027	5.3
119.04976	0.2
119.08591	6.6
121.06519	2.2
121.09346	0.4
121.10156	6.0
123.04452	0.5
123.08076	6.1
125.05994	1.3
125.09655	1.0
127.03905	0.6
128.06233	0.2
129.07019	1.2
130.07712	0.9
131.04889	0.6
131.07759	0.2
131.08575	2.7
133.10155	1.9
135.08057	2.2
135.11702	8.7
136.11900	0.2
137.09662	1.1
137.13268	0.3
139.03874	0.2
139.07497	0.4
143.08549	0.8
145.06430	0.8
145.10136	12.6
147.08054	1.5
147.11668	0.7
149.05997	0.4
149.09534	0.6
151.11107	0.4
153.09023	0.3
153.12775	2.1
155.08549	1.3
157.10080	0.2
161.09698	0.3
163.11192	19.3
164.11554	0.4
165.09125	0.3
173.09633	3.0
181.12256	2.6
188.09850	0.2
191.10663	2.0
209.11740	5.1
227.12804	3.0
265.14236	0.4
267.15982	0.6
283.15411	100.0
284.15735	1.3
307.53110	0.2
405.32053	0.2
436.23126	0.2
442.03223	0.2
459.27353	0.8
473.25400	0.6
491.26447	47.8
492.26572	0.8
509.27664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.13314	0.4
55.05515	11.7
57.03444	12.5
57.07077	2.5
58.50528	0.5
59.05010	4.1
61.02932	4.2
65.03958	1.6
66.37545	0.6
67.05511	99.3
68.05892	0.5
69.03432	1.1
69.07076	6.9
70.90814	1.0
70.91151	0.5
71.04978	3.4
73.02931	1.5
78.23936	0.6
79.05071	1.1
79.05504	17.4
81.03401	1.0
81.07063	35.0
83.04985	0.8
83.08624	8.2
85.02896	3.1
85.06544	2.3
91.03963	1.9
91.05486	11.3
93.07051	22.8
95.04974	1.6
95.08618	25.6
97.02878	2.7
97.06525	1.4
97.10185	2.1
99.08118	0.9
105.07040	6.7
107.08604	12.9
109.10166	79.2
111.08076	3.5
117.07024	2.1
119.08589	10.1
121.10165	11.4
123.11702	3.9
125.09617	1.4
129.05458	0.6
131.08582	5.1
133.10132	4.5
135.11699	6.7
137.09624	2.9
145.10127	3.9
147.11708	3.4
149.13266	4.6
155.10695	10.3
159.11668	2.9
161.13281	2.1
163.14838	2.6
173.11784	16.5
173.13272	3.0
175.14890	1.1
177.16411	0.8
187.14844	2.0
189.11279	0.5
190.62920	0.5
191.44559	0.6
193.34033	0.6
197.11705	0.5
201.16490	0.6
227.12817	4.6
229.14374	100.0
230.14726	1.1
243.21030	3.3
261.22159	16.5
317.24780	2.9
335.25824	65.3
336.26245	1.0
379.29919	1.1
397.31174	1.0
415.32114	2.2
471.34607	2.0
489.35794	40.3
490.35870	1.2
507.36826	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	686.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.7
57.03436	2.9
57.07080	100.0
59.05007	35.7
66.94344	1.3
67.05502	3.7
67.24564	1.2
69.07062	2.2
70.09940	4.8
71.08636	66.7
81.07040	3.5
83.08616	3.5
84.57780	1.1
84.69657	1.2
85.10188	58.8
87.04472	3.7
87.24527	1.1
89.06033	21.9
93.07031	1.6
97.10182	3.2
99.11739	13.6
101.09653	4.7
113.13302	3.8
117.09147	12.1
130.19768	1.3
131.07008	1.2
133.08623	15.4
141.98914	1.2
155.17964	9.6
158.11772	1.3
163.11018	1.1
169.19791	1.2
175.09641	1.6
177.11206	7.2
213.22150	21.0
221.13799	1.4
254.24821	1.5
271.26358	29.1
283.17477	8.3
329.30609	1.5
341.21686	4.1
381.25079	1.6
554.84027	1.3
639.14014	1.4
686.54492	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	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
60.81326	0.8
67.05495	2.0
69.07038	1.3
71.08613	1.1
71.52129	1.7
79.05480	2.1
81.03424	1.6
81.07073	1.1
91.05457	1.0
91.08662	1.1
93.07047	2.5
95.08626	1.3
97.02859	1.0
105.07046	1.7
105.38403	0.9
107.08598	1.7
119.08591	1.4
129.07091	0.9
131.08586	0.9
165.08980	0.8
185.06990	0.9
195.09155	1.3
198.63766	0.9
208.09761	1.1
209.10759	3.5
210.11502	1.4
211.12202	1.9
219.08946	1.0
221.10614	1.0
222.11354	1.1
223.08617	1.8
223.12180	4.1
224.13147	2.7
225.10341	1.2
225.13857	1.9
226.14508	1.0
227.08087	0.9
232.09819	1.4
235.12256	1.5
237.10204	2.1
237.13881	11.9
238.14648	7.8
239.11569	0.9
239.15437	4.1
241.09758	0.8
251.11810	1.2
253.13356	2.1
255.11357	1.7
265.13382	7.3
266.14148	3.2
267.14896	2.6
273.12341	2.0
285.12570	1.0
297.12338	3.3
300.15143	1.1
309.15945	1.0
313.15793	1.0
315.13403	2.6
315.16824	0.9
325.15396	7.0
326.16525	1.6
327.16959	3.2
335.14166	1.3
336.14679	1.0
342.19907	1.1
343.12921	1.5
366.19089	0.8
366.59793	0.9
386.18619	1.1
388.20456	1.4
392.16818	1.1
394.17789	1.3
401.21310	1.3
402.21823	1.0
404.23294	1.6
407.18610	1.1
414.18207	2.3
423.17856	1.3
436.18918	0.9
437.19659	2.3
439.21640	1.0
451.21432	1.1
460.18451	1.1
481.22504	1.3
482.23618	1.1
490.23035	1.1
491.24133	1.8
493.22318	1.4
497.25461	2.0
507.23688	2.7
521.25488	1.1
524.24188	1.2
525.25378	4.8
539.26520	1.6
549.24939	2.8
553.24725	1.7
567.25897	2.0
568.26965	1.3
595.25433	3.0
608.22955	1.1
609.25977	10.3
613.26477	1.1
623.24750	6.5
625.26239	2.6
627.28137	22.8
637.25934	2.8
645.28760	1.5
651.24329	1.1
655.27637	100.0
656.27417	3.1
669.25378	2.7
687.28967	5.4
687.40503	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	683.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
54.84451	2.3
55.01872	14.3
55.05513	15.9
57.03444	13.4
57.07080	44.2
59.04998	3.3
67.05511	35.2
68.71946	2.6
69.03437	19.5
69.07067	13.4
71.01335	2.9
71.04985	10.7
71.08638	31.9
79.05508	15.6
80.90085	2.6
81.03426	98.2
81.07054	32.9
83.04987	24.1
83.08620	16.3
83.32310	2.4
85.02921	7.1
85.10195	18.8
89.06042	2.5
91.05470	11.0
92.06454	2.8
93.07056	19.3
95.04965	7.2
95.08609	27.4
97.02895	28.0
97.06531	8.4
97.10152	5.6
98.21643	5.4
99.04479	13.1
105.07041	5.1
107.04939	7.6
107.08613	12.3
109.02888	33.1
109.06509	3.4
109.10162	15.6
111.04446	32.4
111.08089	9.0
117.07020	6.1
119.08602	7.1
121.06512	4.4
121.10161	10.2
123.04414	3.1
123.11732	2.7
124.20720	2.4
125.05964	3.2
125.09617	3.0
127.03923	24.9
129.06935	2.8
131.08583	6.0
133.10117	3.9
135.11693	20.6
140.39307	2.4
145.10094	13.4
146.44533	2.2
147.11519	2.7
151.99799	2.4
153.12729	23.6
163.11188	30.6
173.09644	3.8
177.77095	2.5
181.12250	21.9
183.06427	4.1
191.10683	22.7
209.11661	13.5
227.12791	44.9
228.98859	3.0
229.00954	2.7
239.23755	6.1
240.33563	2.7
257.24738	3.2
259.09702	3.8
263.12869	2.9
283.15320	20.6
313.27383	100.0
335.14957	3.1
341.26825	3.3
353.16022	22.6
383.27719	3.3
390.65460	2.6
427.19592	52.7
441.31363	2.5
521.38165	18.0
539.39075	8.4
609.28918	3.6
651.27728	4.7
665.42639	43.7
683.45209	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67559	0.6
53.03946	4.0
55.01870	4.2
55.05501	1.6
56.05825	0.8
57.03431	2.7
57.91398	0.6
59.04996	0.8
61.02920	2.3
61.88648	0.7
67.05491	1.0
68.99794	1.6
69.03436	10.8
69.07085	0.9
71.04993	1.5
73.02901	2.7
78.04725	1.1
79.05492	4.5
81.03423	20.2
81.07081	1.0
83.08600	0.9
85.02908	25.5
86.50419	0.6
87.00840	11.5
87.04462	1.3
88.11188	0.8
91.03948	0.9
91.05488	2.6
93.12585	0.7
95.04958	1.9
97.02896	11.7
97.03510	0.9
98.21511	1.7
99.04462	5.4
100.07610	0.9
100.11262	4.9
101.11575	2.0
103.05484	1.1
105.01875	8.0
105.07014	1.9
107.04959	8.6
107.08606	0.8
108.04510	1.5
109.02890	12.8
111.04443	0.8
115.05448	5.6
117.01862	1.6
117.05563	0.8
117.07030	12.7
119.08522	0.8
121.06506	0.7
121.10126	0.8
123.04425	2.2
124.05246	1.3
126.05520	1.5
127.02998	1.1
127.03923	21.9
129.01805	1.1
129.07007	2.1
130.04092	0.9
131.04927	1.3
131.08571	2.9
133.06511	1.3
137.05994	1.5
141.07005	1.0
144.05707	2.1
145.02811	0.7
145.04970	6.6
145.06482	30.4
147.04395	1.0
147.08011	1.1
152.04727	1.0
155.06033	5.2
155.07076	0.9
156.05685	7.1
159.02901	6.1
159.08061	7.0
161.05978	2.3
167.07051	50.0
169.07622	0.9
173.05991	60.0
174.06534	0.7
175.03966	0.9
175.07509	1.5
177.05505	1.3
177.16348	1.3
181.04912	1.3
181.08598	1.3
183.06670	0.8
184.05197	1.6
187.07545	7.0
190.06259	36.8
191.07022	1.8
193.08566	2.5
195.06544	0.9
202.06236	4.0
203.07025	6.3
204.07884	0.9
205.08609	100.0
207.06508	1.6
207.10037	0.8
209.16580	1.1
211.15184	1.0
213.03949	0.9
215.06905	0.8
217.08618	39.5
219.08228	1.3
219.10118	4.7
220.08644	0.8
221.09874	0.7
223.09570	3.1
229.08661	0.8
231.05029	4.5
231.08052	1.3
231.10190	1.0
235.07292	1.7
235.09647	31.4
247.07498	1.4
247.09698	8.2
248.08032	2.2
249.11185	1.7
261.08844	0.7
262.09589	1.0
263.10699	1.3
264.07977	1.1
265.10727	49.8
266.08588	1.1
269.08060	2.2
271.09695	2.8
279.10126	1.2
284.06598	0.7
285.07455	0.9
291.10086	2.5
293.08099	1.3
301.07397	0.9
304.07156	0.7
307.09464	1.4
311.12833	0.9
315.08594	6.3
319.09637	1.0
323.12711	1.2
325.10867	0.8
330.11047	13.3
331.11612	3.7
336.09808	1.2
339.12277	1.9
343.11856	2.4
351.12427	4.8
352.12866	1.0
356.12344	1.1
368.12524	1.7
369.13330	2.2
371.14880	3.1
383.14893	18.0
385.16644	1.2
401.15979	23.0
459.22232	0.8
542.15375	0.8
602.62207	0.8
665.50830	1.2
683.52460	8.8
684.52551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.8
53.03947	1.9
55.01862	1.0
55.05518	11.4
55.55525	0.7
57.03444	11.0
57.07077	2.2
57.97202	0.7
59.05001	4.6
61.02927	4.1
64.23426	0.7
65.03942	2.4
65.23601	0.6
67.05510	100.0
67.37112	0.7
67.39344	0.6
69.03440	1.9
69.07072	7.6
70.91041	1.5
71.04998	2.9
73.02927	2.0
79.05502	19.3
81.03457	1.0
81.07064	36.9
83.08623	8.5
85.02464	0.9
85.02927	4.8
85.03413	0.9
85.06562	3.2
91.03979	1.8
91.05487	14.3
93.07054	25.7
95.04988	1.1
95.08614	24.2
97.02924	2.5
97.06534	1.4
97.10191	1.7
97.27065	0.6
99.04514	0.7
99.08096	1.2
105.04524	0.8
105.07038	6.3
107.08607	15.3
109.10165	68.5
111.08111	3.0
117.07078	3.6
117.88271	0.8
119.08591	9.7
121.10155	11.0
123.11738	2.6
125.09679	1.8
131.08597	4.9
131.13797	0.8
133.10141	4.1
135.11696	7.9
137.09674	3.2
145.10150	4.2
147.11720	3.7
147.82613	0.7
149.13289	4.9
155.10674	8.5
159.11761	2.8
161.13313	1.9
163.14894	2.2
173.11789	12.6
173.13321	2.2
175.14882	1.0
187.14879	1.5
212.14870	0.8
214.16675	0.8
227.12851	4.7
229.14372	79.0
230.14772	1.0
231.76831	0.7
243.21104	4.7
261.22150	16.7
297.23187	0.8
302.23138	0.7
317.24936	3.0
335.25821	67.9
336.26410	1.1
374.19604	0.8
379.30090	1.0
397.31406	2.0
471.34964	1.2
489.35794	58.6
490.35925	1.4
507.36844	3.7
639.10590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.05509	0.2
62.38823	0.1
67.05505	0.3
68.99781	0.3
69.03417	0.3
69.07040	0.3
69.22211	1.4
70.06567	0.1
78.04693	0.2
79.05493	0.3
81.03416	0.2
81.07049	0.6
82.65241	0.1
84.08147	0.1
85.02897	0.3
86.09640	0.2
91.05457	0.6
93.07038	0.4
93.30877	0.1
95.04958	0.3
95.08614	0.3
97.02895	0.2
97.06520	0.5
100.07658	0.1
105.07041	0.4
107.08569	0.3
109.02876	0.1
109.10171	0.2
117.03327	0.3
119.04922	0.6
119.08577	0.3
121.06391	0.1
121.10148	0.2
123.11682	0.2
127.03926	0.4
133.10182	0.3
134.03600	0.8
135.11690	0.2
137.05960	0.3
138.03099	0.2
145.02831	0.3
145.10139	0.2
147.04453	0.8
149.05997	0.3
151.03896	0.2
158.97734	0.1
163.03877	0.2
166.02579	0.6
166.08630	0.2
167.03439	3.6
167.04910	0.4
167.07072	0.1
169.01326	0.3
175.03935	1.3
177.05530	0.8
183.02876	0.3
184.03712	2.3
184.05202	0.3
187.07672	0.2
190.45126	0.1
195.04462	0.3
199.07526	0.2
201.05521	0.3
207.06548	1.5
210.63583	0.2
212.04674	0.8
213.05525	0.2
215.07043	0.2
216.07845	0.7
223.03938	0.4
226.06192	0.3
227.07063	1.0
229.04971	1.1
239.03363	0.2
240.04170	1.7
243.06544	2.7
244.07356	2.6
255.06551	2.6
256.07294	0.2
257.04630	0.3
259.09729	1.2
267.02933	0.4
268.03745	1.3
271.06021	0.6
272.06766	1.4
282.05167	0.2
283.06006	3.6
285.04001	0.7
286.04675	0.3
287.09244	0.2
299.05515	3.0
300.06305	19.6
301.06921	0.6
305.24936	0.3
315.08633	100.0
316.08942	1.1
325.06982	0.2
419.59903	0.1
521.10724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50801	0.5
53.03940	1.1
55.05492	0.9
57.03423	0.8
61.70059	0.6
63.02365	0.6
66.69074	0.5
67.05511	1.0
69.03417	2.5
69.07065	0.6
70.84702	1.2
78.04723	0.5
79.05457	0.6
81.03419	7.4
81.07054	0.8
85.02892	2.4
85.06538	1.9
89.03912	5.2
91.05492	5.5
95.08629	0.9
97.02919	0.6
97.06519	0.8
98.66732	0.5
103.05453	0.9
105.03292	0.6
105.06991	0.7
106.04163	0.7
107.04965	0.7
107.08619	0.9
108.02099	0.5
109.02880	2.8
109.10138	1.1
117.03381	19.1
118.04173	0.9
119.04942	7.6
121.10203	0.7
130.04134	0.7
134.03659	1.3
135.04408	2.2
145.02850	49.6
146.03252	0.8
147.04419	9.3
149.05977	7.7
157.03941	0.7
160.05211	1.0
161.05966	1.0
162.06805	4.2
163.03891	4.5
163.07504	1.2
167.28571	0.6
168.00510	3.0
169.01300	1.0
175.03917	9.7
176.04643	0.7
177.05475	100.0
178.06180	3.2
186.01602	1.2
186.05519	1.1
188.04704	0.6
189.05519	0.8
190.06264	12.9
191.03403	2.5
191.07007	1.3
193.08621	9.5
195.06543	1.7
206.05740	4.2
207.06525	17.8
221.08098	70.8
222.08449	0.7
229.05020	0.8
240.04219	0.8
241.05148	0.7
251.65247	0.6
254.05760	2.5
255.06415	0.8
257.04666	0.8
258.05292	1.9
269.04456	4.2
272.03101	3.2
282.05222	1.7
283.06128	2.7
284.06964	0.9
285.03925	4.9
286.04721	51.6
287.05408	5.4
297.03931	9.7
300.06259	0.9
301.07071	69.9
302.07260	0.7
311.05585	1.6
312.06412	3.7
315.05002	37.7
315.08646	12.4
321.09674	6.4
330.07401	9.2
339.10721	3.1
345.09695	84.5
346.10114	1.3
351.10822	1.2
365.12341	5.1
383.13251	1.9
683.32562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.7
57.07081	47.7
59.05007	6.3
66.91908	2.1
67.05510	6.6
69.07068	4.4
69.55856	3.1
69.56259	10.7
76.78957	2.0
79.05505	2.7
81.07066	14.6
88.03349	2.4
91.05480	7.0
93.07008	3.1
94.89868	2.2
95.08610	6.1
105.07076	3.4
107.08586	2.8
107.97878	2.3
109.06525	3.3
109.10156	4.5
133.10147	2.9
137.05962	23.6
147.11726	6.6
153.07028	4.0
233.03635	3.2
245.42244	2.7
251.04648	14.5
277.18030	10.6
327.03964	5.5
327.07831	100.0
337.27570	4.7
351.21652	2.7
383.14069	48.9
383.24261	2.4
392.19070	2.4
439.20392	77.7
495.26636	75.7
496.26035	2.9
499.46997	2.2
551.32892	36.4
607.39081	87.8
613.44659	17.2
663.45404	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01883	0.8
56.31506	0.3
57.03442	0.7
61.02929	0.6
65.03925	0.3
68.99795	2.9
69.03085	0.4
69.03439	5.1
70.84769	0.3
70.85094	0.4
71.04993	0.9
73.02935	1.2
73.32219	0.2
73.49406	0.2
81.03429	9.6
83.04984	0.3
85.02915	6.9
87.00842	2.5
91.05501	2.7
95.04972	0.4
97.02901	4.5
99.04476	2.9
100.07721	0.3
105.01884	0.8
107.04966	4.7
109.02894	21.4
111.04428	0.3
115.03931	0.4
117.01881	0.2
119.04948	5.1
121.02873	0.5
123.04439	0.3
127.03931	46.0
129.01854	0.6
135.04422	0.5
138.03189	0.2
139.03891	0.4
140.01691	0.2
141.01837	3.1
145.04971	4.0
147.02896	0.6
151.03966	0.2
152.64497	0.2
159.02954	1.2
163.03922	100.0
164.04294	0.7
164.07083	0.4
167.06987	0.2
175.03978	0.5
189.05482	0.4
195.02910	7.0
205.05042	0.3
213.03973	5.8
217.04964	0.5
218.69576	0.3
231.05014	4.6
235.05968	0.8
243.06609	0.3
253.07153	0.5
255.04915	0.3
271.05969	1.0
273.06049	0.6
285.05951	0.9
303.06989	0.4
319.12631	0.2
321.06287	0.5
339.07123	2.0
357.08221	2.4
375.09354	0.4
393.08090	0.3
411.09433	1.6
453.10272	0.2
470.25790	0.2
478.89212	0.3
519.11029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34392	0.1
57.03434	0.1
59.05003	0.2
60.05971	0.1
68.99811	0.3
69.03437	0.5
70.05088	0.5
76.48547	0.1
81.03439	0.1
85.02917	0.9
86.05424	0.1
87.00838	2.2
87.04494	0.3
91.05511	0.2
97.02900	9.1
97.06566	0.2
105.01870	0.9
109.02905	0.2
111.81886	0.1
115.03912	0.3
118.04253	0.5
119.04966	0.2
121.02862	0.1
127.03920	0.4
137.05983	0.2
140.01097	0.3
144.45245	0.1
147.04417	0.2
154.65280	0.2
167.07002	0.1
168.00562	3.1
169.01303	0.3
177.05484	0.2
184.05222	0.2
186.01591	1.1
201.03966	3.5
201.05792	0.2
212.04749	0.4
213.05524	0.2
219.05034	0.4
229.05054	0.2
240.04265	0.5
241.05013	0.4
245.07979	0.2
255.06532	0.5
257.04367	0.3
258.05267	1.2
268.03711	0.4
269.04477	0.6
285.03970	4.6
286.04739	52.1
287.05118	0.8
299.05487	0.2
301.07083	100.0
302.07361	1.4
343.07983	0.2
345.08289	0.1
463.12469	1.6
492.01398	0.1
518.99207	0.1
627.79938	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	683.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01884	1.0
55.05507	0.2
57.03422	0.4
61.02938	0.9
65.03937	0.3
68.99794	1.4
69.03435	4.6
71.01357	0.3
71.05005	0.9
71.09746	0.2
71.10056	0.2
73.02929	0.7
79.05469	0.1
81.03425	6.5
83.01329	0.3
83.04987	0.4
85.02911	6.6
87.00838	2.3
87.04446	0.2
91.03966	0.3
91.05485	1.4
95.04976	0.4
97.02901	4.6
99.04459	1.8
100.07639	0.2
102.61781	0.1
105.01875	1.1
107.04959	0.4
109.02891	10.8
109.06602	0.2
111.04464	0.6
113.02385	0.2
115.03960	0.3
117.01839	0.2
117.07124	0.1
119.04952	3.4
121.02890	0.2
123.04478	0.3
125.02383	0.4
126.39108	0.1
127.03927	100.0
128.04253	0.5
129.01854	0.8
135.04391	0.2
137.02312	0.2
137.05954	0.2
139.03938	0.2
141.01843	2.4
145.04976	2.0
147.02968	0.6
147.04417	12.8
148.04883	0.2
151.03949	0.3
159.02898	1.3
161.06015	0.2
165.05542	0.8
165.06749	0.2
169.04993	0.3
171.02945	0.2
173.02361	0.4
175.03967	0.2
177.05504	0.2
181.06572	0.2
185.06050	0.3
189.03940	0.2
189.05511	0.5
191.03494	0.4
193.04924	0.3
195.02905	0.4
201.03918	0.3
201.05585	0.2
207.06532	0.3
209.05971	0.3
209.16637	0.2
210.14978	0.2
213.03867	1.6
217.05028	0.3
231.04948	2.0
235.06100	0.3
237.05510	0.3
255.06725	1.4
273.05984	0.3
285.06122	0.5
291.07114	0.2
301.07254	0.1
303.07260	0.6
339.07251	0.6
357.08139	1.8
375.09167	1.1
485.11292	0.2
503.11902	0.6
519.13397	0.3
539.13715	0.7
683.50391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.6
55.05511	40.2
56.97765	5.5
57.03442	14.0
57.07077	7.3
67.05180	8.1
67.05511	90.8
69.07068	43.6
69.16363	52.5
76.62469	5.8
79.05501	81.8
81.03419	11.5
81.07059	100.0
83.04996	7.3
83.08633	15.2
85.06538	9.7
91.05492	88.6
93.07050	85.7
94.83250	6.2
95.04951	9.2
95.08612	64.7
97.06519	8.7
97.10184	9.9
98.20722	12.7
105.07041	79.1
107.08595	53.3
109.06469	7.7
109.10155	25.1
115.05431	9.2
117.07043	43.5
119.08585	63.5
121.10155	31.2
123.08107	6.1
123.11739	5.5
125.09658	5.5
129.07079	27.7
131.08583	46.4
133.10127	50.0
135.11694	16.6
138.78558	5.4
139.44820	6.2
141.06978	12.4
143.08569	35.5
145.10138	39.0
147.11708	29.0
149.09596	7.3
149.13277	8.3
155.08551	17.7
157.10103	24.3
159.11671	26.7
161.13264	11.2
167.08546	9.8
169.10123	16.3
170.10916	6.5
171.11719	25.8
173.13258	18.4
174.18709	5.7
179.08459	6.9
181.10158	11.0
183.11598	29.4
185.13297	21.7
187.14853	6.8
193.05003	6.5
193.10107	5.8
195.11708	11.5
197.13225	13.6
199.14960	9.5
209.13187	13.9
223.45009	6.6
227.12674	7.2
237.16409	7.2
241.19557	9.4
257.19073	8.7
259.20624	26.1
275.20093	23.4
333.24197	20.1
447.32477	7.3
475.17676	7.9
513.35986	11.4
515.38336	9.3
527.37537	9.5
543.10236	6.0
560.23901	14.1
577.38544	6.6
591.26257	9.7
607.43872	31.8
625.44031	17.4
633.14618	6.2
678.30713	33.3
678.41962	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	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01882	7.6
55.05515	30.7
57.03424	11.9
57.07059	7.3
59.05001	3.9
61.63669	3.2
65.03931	5.2
67.05512	89.8
68.69370	3.4
69.03445	3.7
69.07072	37.9
69.94115	6.6
69.94464	17.4
71.04993	9.7
71.08616	10.4
79.05502	78.1
81.03385	12.4
81.06595	6.2
81.07059	100.0
83.04967	12.9
83.08608	14.0
85.06505	6.2
86.09689	14.5
91.05486	75.4
93.07053	79.9
95.04950	11.6
95.08616	59.3
97.06532	39.5
97.10149	6.0
98.21558	4.4
99.08078	9.7
105.07039	68.2
107.05000	8.0
107.08607	51.9
109.06525	13.5
109.10169	43.7
111.08086	7.2
115.07543	13.4
117.07010	18.2
119.08589	36.6
121.06550	6.4
121.10165	32.3
122.44543	3.8
123.08077	6.6
123.11679	9.7
125.00022	11.5
125.09618	4.3
129.06995	10.3
131.08586	35.0
132.45297	3.7
133.10162	52.1
135.08069	7.1
135.11713	22.2
137.09633	6.2
139.94479	3.2
141.46913	3.7
143.08537	10.3
145.10127	18.9
147.08043	4.3
147.11707	23.5
149.09634	5.6
149.13213	11.4
151.11194	18.1
157.10089	5.6
159.11693	13.8
161.13220	14.8
163.11241	7.3
163.14825	7.1
169.10106	4.9
171.11687	13.1
173.13275	10.9
175.14821	6.1
177.12805	5.3
179.14282	11.6
182.05200	3.5
183.11650	4.8
184.07394	43.0
195.13792	3.6
199.14729	4.0
213.16293	4.4
217.15974	4.2
231.21228	3.6
241.19460	6.2
243.20946	4.0
253.14377	28.4
255.17438	4.0
259.20544	17.9
261.22058	7.1
273.18506	13.4
275.20062	13.8
277.21616	12.2
291.19504	14.0
293.21115	21.9
313.27222	4.3
333.24341	25.1
335.25864	33.2
347.22049	4.3
351.24988	4.9
365.23337	6.2
367.24854	22.2
503.23489	4.6
529.38489	14.6
611.46356	12.9
625.44421	28.4
643.45679	20.9
678.30157	28.9
678.46539	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	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99269	4.0
53.03941	7.9
55.01878	8.7
55.05524	31.5
57.03439	9.3
60.08142	6.1
67.05515	73.6
67.14199	4.7
69.07063	32.5
71.04993	8.3
79.05499	84.3
81.07063	100.0
83.08623	19.7
85.06549	10.8
86.09703	14.5
91.04987	5.8
91.05495	74.2
93.07050	75.7
95.04961	16.3
95.08619	55.6
96.08518	5.3
97.06544	12.9
98.21561	7.2
102.42200	4.9
104.79198	5.0
105.04548	6.3
105.07037	68.3
106.76409	4.7
107.08614	47.4
109.06534	8.0
109.10159	22.8
111.08079	8.9
117.07034	27.7
119.08582	51.6
121.10184	27.0
121.73640	6.4
123.11735	6.3
125.00045	9.5
129.07004	20.0
131.08591	32.8
133.10117	41.5
135.11674	15.9
143.08565	16.5
145.10133	27.8
147.11659	31.7
149.13264	12.1
155.08533	6.4
157.10101	23.7
159.11702	27.7
161.13284	13.4
169.10127	11.1
171.11722	13.2
173.09785	5.4
173.13286	15.5
175.14815	7.3
177.71187	5.3
183.11668	11.9
184.07341	42.3
185.13300	17.2
187.14877	11.6
190.45567	5.6
195.11690	8.7
199.14830	10.7
209.19774	4.7
223.14867	6.3
225.16301	5.0
241.19521	14.4
255.15897	9.5
259.20596	23.3
269.17462	8.6
275.20105	18.1
333.24170	29.8
338.67368	5.7
349.23810	6.2
367.24725	7.3
435.32367	6.3
513.35516	14.4
527.37469	22.9
607.43341	15.6
625.44250	19.6
678.47144	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
54.39927	1.7
55.05511	12.3
57.03436	6.2
57.07065	4.4
61.02930	25.0
67.05509	66.1
69.03440	2.4
69.07077	14.3
71.05000	3.4
72.53345	1.9
73.02909	10.3
79.05495	41.8
81.03415	4.1
81.07061	73.3
83.04980	2.9
83.08617	9.1
85.02908	27.4
85.06536	2.8
87.04524	1.9
91.03961	26.8
91.05482	18.2
93.07049	57.7
95.04991	4.5
95.08611	61.6
97.02889	13.1
97.06533	2.9
97.10186	3.9
99.04482	2.8
99.08094	3.5
100.55647	2.0
105.07030	20.3
107.08598	35.2
109.02865	2.2
109.06538	2.4
109.10164	30.8
111.08086	2.8
117.07022	7.8
117.16780	2.0
119.08574	15.3
121.10143	33.6
123.11726	18.4
127.03906	9.7
131.08566	22.0
133.10147	15.9
135.11694	31.5
137.13249	8.9
145.04977	13.1
145.10124	14.5
147.11697	12.5
149.13264	20.7
159.11717	15.2
161.09666	2.1
161.13234	9.6
163.06018	18.7
163.14801	14.2
173.13304	15.0
175.14861	3.9
177.16409	4.7
179.14236	2.7
187.14861	12.1
201.16472	5.2
211.06033	1.9
217.99301	1.9
219.13831	2.2
230.59460	1.9
233.22652	3.8
243.21071	36.2
261.22156	100.0
271.08023	2.2
335.25748	17.5
353.26859	36.0
407.36624	3.1
425.70157	2.1
497.30731	2.9
617.22369	4.8
645.21649	5.0
677.34442	2.5
677.45068	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01878	1.4
55.05513	12.5
57.03443	5.9
57.07073	2.2
61.02932	13.7
65.03935	2.5
65.10920	1.1
67.05511	75.1
69.03434	2.6
69.07069	10.9
69.30183	4.9
69.30606	4.4
71.05004	2.5
71.08635	2.0
73.02911	6.7
75.04481	2.0
79.05502	38.1
81.03416	2.9
81.07064	74.9
83.08640	7.0
85.02914	17.2
85.06558	3.1
91.03964	14.8
91.05492	22.3
93.07056	49.2
93.07593	1.0
95.04966	3.7
95.08616	62.4
97.02900	10.6
97.06513	3.1
97.10160	4.2
98.46614	1.0
99.08096	2.7
103.80582	1.4
105.07043	15.0
107.08604	33.7
109.06519	1.3
109.10174	38.3
111.08086	3.4
114.55232	1.1
117.07008	9.4
117.11867	1.4
119.08589	17.3
121.09335	2.4
121.10152	30.2
123.08091	1.7
123.11717	19.0
125.09621	1.7
127.03934	5.9
131.08572	18.1
133.10138	16.0
135.10704	1.8
135.11703	26.6
137.09625	2.3
137.13281	6.2
139.11189	1.9
145.04971	8.5
145.10149	14.2
147.07750	1.1
147.11716	10.9
149.13274	20.0
151.14844	3.2
153.12776	2.6
159.11723	14.5
161.13255	11.3
163.06038	11.1
163.11206	1.5
163.14830	15.0
165.12794	3.3
173.13293	12.7
175.14806	3.4
177.12781	1.5
177.16376	7.2
179.14340	2.0
187.14844	9.7
191.14346	1.3
193.12318	1.3
201.16400	3.3
205.15810	2.1
215.18005	1.5
233.22604	4.0
243.21103	32.5
251.94859	1.2
261.22171	100.0
263.23547	1.5
279.23190	7.4
317.24884	1.2
334.58658	1.2
335.22046	2.1
335.25833	29.5
353.26904	39.0
426.00986	1.4
497.31012	7.4
677.31262	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	677.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01858	0.7
57.34074	0.2
59.88214	0.2
67.05494	0.4
68.99804	1.2
69.03439	0.3
69.06769	0.2
69.07079	1.5
69.34370	1.2
70.06566	0.2
79.05504	1.5
84.08160	0.2
91.05464	0.3
97.02821	0.2
97.06548	4.0
100.07621	0.2
109.02899	0.3
119.04981	1.2
121.02901	0.5
127.03897	0.6
137.93025	0.2
139.00288	1.7
145.02838	0.4
145.06468	0.2
147.04376	0.2
153.01825	0.2
166.99783	0.3
168.00592	0.3
169.01352	1.1
185.00812	0.3
185.05904	0.3
186.01578	0.2
197.06113	0.2
213.05510	0.4
231.06520	0.7
241.04999	0.6
257.04495	29.2
258.04944	0.5
259.06094	0.6
269.04459	0.7
270.05200	0.4
283.05984	0.4
285.03992	18.7
286.04745	5.7
287.05548	19.4
288.05783	0.2
297.04041	0.3
297.07455	0.3
299.05609	0.5
321.07758	0.2
328.77313	0.2
332.76624	0.2
339.08838	0.8
383.11313	100.0
384.11667	2.1
677.22888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84099	0.3
69.71684	1.3
69.88723	0.3
92.32677	0.3
104.86324	0.3
113.28363	0.3
119.08664	0.3
175.25482	0.3
226.27202	0.3
269.24280	0.3
413.16165	0.6
441.20392	0.4
443.17599	0.5
444.18268	0.6
445.18799	0.9
451.13263	0.3
453.15964	0.7
454.16647	1.2
455.12653	0.5
455.18076	0.7
456.13922	0.5
457.15128	1.0
467.12692	0.7
467.17947	0.7
468.14493	1.5
469.14798	5.8
470.15582	1.8
471.16858	1.3
472.17218	0.4
479.17361	0.4
480.14456	0.8
481.15128	2.9
482.15952	7.9
483.16730	8.9
484.17371	2.0
485.18668	1.3
495.16779	4.3
496.17490	5.9
497.18317	31.7
498.18973	3.3
499.20432	0.7
510.19312	1.5
511.19922	4.3
512.20557	1.2
513.17596	0.3
515.19385	1.4
523.16504	0.3
527.15833	0.5
528.16443	1.3
538.20453	0.5
541.17200	0.8
542.18146	1.9
555.18726	5.4
556.19513	3.3
557.20441	2.8
569.21082	0.5
571.22144	0.4
573.23413	1.3
583.21729	0.5
616.21985	1.3
617.22571	1.3
627.21149	0.4
629.22711	0.8
630.23370	0.6
643.24152	6.0
644.24939	6.1
645.22021	1.5
657.25543	5.3
660.24152	1.5
675.26715	100.0
676.26910	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	675.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.3
57.03439	4.1
57.07081	100.0
58.04209	14.3
59.05004	48.3
59.61126	4.3
63.24986	3.5
67.05504	17.0
69.03419	4.4
69.07056	11.3
69.36323	3.1
71.05000	3.8
71.08637	90.8
71.52043	3.0
72.05778	26.8
73.02908	10.7
73.06563	31.5
79.05494	6.2
81.07043	13.1
82.07805	4.0
83.08620	11.9
85.02853	4.3
85.10186	86.3
87.04485	48.9
88.05260	6.2
89.06039	56.3
90.01920	74.8
91.05487	7.1
93.07036	8.7
95.08612	9.6
97.06503	3.9
99.11738	6.7
103.07590	24.6
105.07034	4.4
107.08604	4.8
108.88324	4.1
109.10192	3.4
111.11768	3.7
116.08321	4.3
117.07023	3.7
117.09151	24.8
119.08572	4.7
131.07069	6.7
133.08594	27.1
136.06181	5.5
138.14073	3.7
141.16353	5.3
147.10149	6.3
161.11798	4.8
165.11261	4.4
169.15822	7.7
177.11234	14.2
178.07063	11.0
179.12727	5.5
180.12363	4.4
194.13954	4.5
197.96237	3.0
199.20526	8.3
208.15508	7.8
219.96233	3.6
222.09717	15.3
222.17021	6.8
239.17014	3.2
252.18076	10.0
266.12451	9.1
266.19528	10.2
267.17947	3.8
271.16110	3.5
285.17880	5.0
289.48691	3.8
296.20654	13.2
310.22205	12.3
312.20209	6.5
340.23181	7.4
348.31009	6.6
354.24747	8.6
392.33575	10.9
436.36273	14.9
460.24002	5.4
480.39236	5.3
524.41693	35.1
540.40820	5.2
547.41742	4.2
584.43787	10.8
661.02081	4.3
675.45435	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
57.07058	1.4
59.04990	1.0
67.05497	1.2
69.07086	0.9
70.92853	0.5
71.08633	1.3
79.05485	1.1
81.03412	0.5
81.07050	1.2
85.10193	0.9
87.04477	0.6
89.06011	0.6
93.07038	0.9
95.08591	0.8
121.10174	0.5
133.08572	0.7
168.68993	0.5
232.13309	0.5
354.60501	0.5
397.12930	0.6
398.13849	2.3
399.14539	4.1
400.15671	0.8
400.80838	0.6
412.15234	4.5
413.16049	15.7
414.17093	16.5
415.18234	2.6
425.16461	0.6
426.16888	5.0
427.17661	17.3
428.18472	24.2
429.18707	1.0
430.16415	1.2
431.17014	0.6
432.18988	1.3
439.17450	1.5
440.18311	2.0
441.19632	10.9
442.19952	23.6
442.26108	1.2
443.20926	8.2
445.14148	0.8
455.16211	1.1
455.22232	2.5
456.21561	1.3
458.15649	0.8
468.18448	0.8
469.18726	33.2
470.18973	14.2
471.16949	1.0
472.17340	4.0
473.18210	7.6
474.18588	2.5
481.18210	0.8
484.13623	1.3
485.14346	1.7
486.18851	1.6
495.16241	1.0
496.17233	0.8
497.18588	1.8
500.20267	1.2
501.21625	3.5
502.21533	0.7
509.18234	2.2
510.18918	1.1
513.17670	20.7
514.17889	13.6
515.18408	0.7
523.19586	0.9
524.20685	1.0
525.21490	6.6
528.23370	0.9
537.21515	0.6
541.20880	0.6
557.23981	100.0
558.24084	5.0
565.20923	1.1
572.21106	0.6
573.22968	1.4
587.21484	1.1
588.25873	25.4
589.25525	1.0
600.22150	1.9
601.22400	2.8
615.24536	14.6
616.24805	43.0
617.24481	1.8
631.28107	2.2
643.24005	50.1
644.24457	1.7
647.26770	1.1
675.26575	10.9
676.27185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.6
55.05514	1.7
56.01837	0.5
57.07080	60.1
57.50022	0.6
59.05005	14.6
67.05520	0.6
69.07074	1.5
69.33140	3.5
71.08637	59.4
73.02924	0.9
73.06561	4.6
81.07066	0.6
83.08620	1.5
85.10189	51.2
87.03943	0.6
87.04476	14.2
89.06038	100.0
90.06397	0.6
97.10174	0.7
99.11742	4.7
103.07586	6.4
107.07103	1.2
110.69118	0.5
111.11702	0.5
117.09139	4.1
127.14907	1.0
129.09113	0.8
130.08691	2.8
131.07062	5.5
131.10744	0.9
133.08614	77.2
135.10182	0.6
141.16396	5.2
155.17859	0.7
161.11766	1.5
162.76654	0.6
173.11765	0.5
175.09691	4.9
177.11241	36.1
184.07277	0.6
199.20570	6.3
219.12236	1.3
221.13855	6.7
239.14902	1.4
243.23207	5.0
265.16403	2.5
267.18234	0.6
283.17422	2.9
309.19043	1.7
311.60513	0.5
327.20190	2.4
353.21515	1.6
371.22632	2.0
415.25174	1.9
441.27017	1.5
459.28064	13.1
499.31058	2.7
503.30359	0.6
562.62701	0.7
627.55511	0.6
642.25262	0.9
657.47632	3.0
674.50824	6.8
703.90790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72403	1.1
55.05520	1.0
56.44414	0.9
57.03441	1.2
57.07084	6.9
57.61835	0.8
58.56006	0.9
61.02929	2.0
61.04237	0.9
67.05512	3.5
69.07075	1.5
69.94197	3.6
71.08644	3.7
72.08946	1.1
79.05502	1.6
81.03419	2.0
81.07065	4.1
83.08621	2.4
85.02909	2.6
85.10186	2.4
87.04472	1.4
87.50866	0.9
91.03947	1.8
91.05484	1.6
93.07057	2.2
95.08636	4.7
96.08981	1.4
97.02902	1.4
97.10144	1.0
109.10165	2.2
119.08596	1.1
121.10178	0.9
123.11730	0.9
149.02385	2.8
155.42410	0.9
193.05005	1.4
193.15712	1.0
239.23798	1.8
267.16077	1.2
313.27493	6.7
314.27786	7.2
315.27924	5.5
331.28406	1.5
332.28915	2.4
333.29248	2.1
347.17218	1.3
370.10858	1.5
384.12439	2.9
385.13043	15.3
386.13654	5.6
387.14539	1.3
397.13190	2.2
398.13724	6.8
399.14624	26.2
400.15405	66.7
401.15872	4.4
410.13800	1.1
411.14587	2.8
412.15417	8.8
413.16205	18.7
414.16968	24.8
415.17361	3.1
418.17065	1.1
423.14917	1.0
426.17239	4.8
427.18127	14.0
428.18689	18.5
429.19330	51.7
430.12936	1.2
430.19449	2.8
439.17911	1.5
441.15219	2.7
441.19858	2.5
442.16306	5.0
443.13632	4.1
444.14471	11.6
444.34225	0.9
447.20306	1.3
454.16330	1.1
455.17184	20.3
456.17975	7.6
457.15024	2.8
457.19424	2.8
458.15619	5.4
459.16626	5.2
461.29144	1.0
468.14148	1.8
469.18756	3.1
471.16840	1.1
472.17737	6.0
473.18341	23.3
481.15182	2.7
482.15530	2.5
483.16675	14.5
484.21881	1.3
487.15967	5.8
495.17093	1.8
497.18378	1.4
499.16275	3.1
501.17557	11.7
502.18512	3.4
509.19193	1.1
510.15207	1.7
511.19864	2.8
514.21649	0.9
516.23859	12.0
523.16595	2.3
527.15564	9.9
539.19501	13.5
540.19720	11.7
541.20325	1.5
543.22504	14.4
544.14899	1.3
544.23315	35.4
555.18536	4.4
560.22791	13.8
570.20642	3.4
571.21973	65.0
572.22308	21.2
573.20038	3.4
575.24945	4.1
585.23761	2.4
587.21521	6.1
588.22266	100.0
589.22632	1.7
598.20233	1.1
601.23181	3.7
603.24591	7.8
615.20911	9.4
616.21271	10.8
619.24176	5.8
629.22522	17.5
631.23865	9.8
647.23627	8.3
657.11328	2.0
657.22009	26.3
658.22662	1.1
675.11194	2.1
675.22992	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.07085	1.5
59.04988	0.2
59.26752	0.2
60.72335	0.2
61.71576	0.2
62.26849	0.2
67.05530	0.5
67.80282	0.3
69.07091	0.5
69.25856	1.0
69.26291	0.9
71.08653	1.1
73.06537	0.3
79.05498	0.3
81.03442	0.2
81.07083	0.6
83.08656	0.2
85.10185	0.8
87.04470	0.3
89.06044	3.6
89.07315	0.2
91.05527	0.3
93.07052	0.4
109.10151	0.3
133.08614	2.3
145.17984	0.2
177.11288	0.9
285.27875	0.3
318.78168	0.3
459.27856	0.3
497.19153	0.5
504.19476	0.2
523.17358	3.4
524.18195	0.8
527.20477	0.3
541.18579	5.0
555.20453	0.4
556.20831	1.4
559.23615	0.6
581.21619	0.5
587.24115	0.3
595.19781	0.4
599.22699	1.3
609.21539	0.3
610.21436	0.4
641.23975	0.6
642.24591	3.5
643.25214	0.7
673.26385	100.0
674.26477	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64722	4.1
53.03941	8.1
55.05508	17.0
56.50187	3.9
57.03433	16.9
57.07079	4.9
59.04998	5.0
65.17895	4.3
67.05515	27.6
69.03420	7.2
69.07065	12.4
71.04993	5.1
76.87195	3.5
79.05501	19.5
81.03425	93.8
81.07053	34.3
83.04970	15.8
83.08615	24.3
85.02907	24.2
91.05470	32.6
93.07049	23.1
95.04979	33.4
95.08620	18.4
97.02885	10.1
97.06535	5.0
97.10164	11.0
105.07048	17.8
107.04890	5.7
107.08605	15.6
109.02898	4.7
109.06521	7.0
109.10172	4.7
111.08091	10.7
117.07007	5.7
119.08585	18.9
120.04034	4.3
121.06618	5.6
121.10156	12.0
127.03970	9.2
129.07025	14.5
131.08592	20.3
133.10133	17.8
134.72350	3.9
135.11688	7.3
137.09604	4.4
145.06438	5.2
145.10170	6.2
147.11694	16.9
149.02365	7.3
149.09573	8.1
151.17329	4.4
152.50786	4.3
157.10153	13.7
175.11189	10.9
193.04913	5.7
193.12273	36.6
197.70103	4.2
211.13306	22.8
228.23247	4.5
246.20110	4.1
267.15948	100.0
273.14807	5.0
278.60635	3.8
284.70663	4.1
285.16977	25.9
367.22748	19.0
385.23718	12.0
429.11530	5.3
433.25842	11.6
459.27466	64.6
477.28561	55.2
674.34857	16.7
675.69183	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	674.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05276	1.4
55.05523	16.4
57.03437	9.8
57.07080	2.4
59.04985	4.1
65.03946	2.8
67.05179	2.1
67.05512	29.0
69.03433	5.9
69.07083	17.5
71.04985	4.3
71.08633	1.5
71.52567	1.6
73.02921	1.2
77.03954	1.3
79.05075	2.3
79.05502	32.3
81.03426	56.0
81.06593	1.9
81.07065	37.2
83.04994	22.2
83.08170	2.0
83.08635	23.6
85.02918	18.9
85.06546	2.6
87.00805	2.0
89.06042	1.8
91.05493	48.7
91.47463	1.1
93.07059	24.7
95.04975	21.2
95.08620	13.8
95.45207	1.4
97.02914	7.0
97.06522	5.3
97.10196	6.8
98.20724	1.2
99.08083	2.6
103.03937	1.7
105.04533	1.6
105.07040	34.6
106.07343	1.5
107.04965	14.3
107.08620	11.2
109.02876	3.4
109.06508	5.6
109.10148	7.4
111.08086	6.4
111.11698	1.5
115.05475	2.5
117.07021	4.2
119.07803	2.4
119.08589	28.2
119.09379	2.4
121.06505	2.6
121.10159	12.4
123.08080	3.9
123.11677	3.9
127.03925	4.2
129.07027	13.5
131.08582	17.9
133.06491	3.5
133.08598	1.6
133.10152	24.1
135.11681	2.3
139.11182	3.7
142.07761	3.4
145.04944	2.2
145.10155	6.7
147.08051	3.2
147.11703	22.3
149.09651	4.6
157.10141	17.2
160.12099	1.8
163.11205	3.0
165.12814	3.4
165.20866	1.3
175.11198	14.0
186.77509	1.2
193.12267	33.5
211.13304	30.9
218.76945	1.6
225.29506	1.6
249.14729	2.3
258.81213	1.2
266.72324	1.4
267.15942	100.0
268.16159	1.6
272.38464	1.2
285.14108	1.6
285.17038	19.8
286.04675	2.2
301.07111	4.7
302.07315	1.8
429.20975	2.6
459.27451	81.9
477.28577	58.6
477.35492	3.2
514.38623	1.5
672.18964	1.4
674.43127	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	674.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
55.05520	9.8
57.03442	11.6
57.07061	2.3
58.40780	1.0
59.04999	1.9
61.02921	2.9
65.03942	1.2
67.05508	27.8
69.03423	1.4
69.07068	11.0
69.43411	7.6
70.06594	3.6
71.04987	4.3
77.78963	1.0
79.05077	1.4
79.05498	18.0
81.03415	6.8
81.07063	36.5
83.01353	3.9
83.04994	7.0
83.08623	10.4
85.02913	7.6
85.06524	2.6
88.07637	1.6
91.05489	11.4
93.07044	32.2
95.04971	3.7
95.08610	11.0
97.02894	2.9
97.06535	8.3
97.10165	2.1
99.04484	1.1
99.08080	1.7
102.09180	1.4
103.03957	2.0
105.07018	7.4
107.04952	4.3
107.08600	21.0
109.06519	4.4
109.10180	2.7
111.04425	1.6
111.08086	5.6
111.11746	1.7
117.07031	8.2
119.08564	5.4
121.06544	2.9
121.10149	13.0
123.08060	4.9
123.11758	1.4
125.06024	1.4
125.09612	1.6
127.03918	1.5
131.08557	5.9
133.10123	4.5
135.08058	2.0
135.11685	8.8
139.11247	1.3
145.10143	8.7
147.08046	1.4
147.11719	1.7
149.02371	7.6
149.03441	1.7
149.13280	11.8
159.11656	5.3
163.11194	14.3
165.09210	1.0
173.09683	1.7
177.12740	2.0
181.12265	1.3
191.10640	1.8
193.04973	5.1
195.13828	3.7
209.11690	2.7
213.14839	1.3
227.12807	1.7
228.23190	4.3
265.14374	1.2
269.17487	47.5
272.25854	1.6
283.15390	43.2
341.06702	1.3
385.09274	1.1
397.81583	1.6
429.12012	3.1
459.27356	4.1
473.14462	1.0
477.28522	100.0
497.17981	3.6
674.35132	15.5
675.26642	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	673.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01860	0.5
55.05515	1.2
57.03422	0.4
57.07064	0.2
65.03951	0.2
67.05508	3.4
68.99793	0.2
69.03434	2.5
69.07076	2.1
69.87144	0.9
71.04977	0.5
72.15588	0.2
79.05492	2.4
79.26694	0.2
81.03426	4.6
81.07060	8.8
83.04974	0.4
83.08592	0.8
85.02913	1.5
85.06529	0.6
87.00808	0.2
91.05483	3.7
93.07049	2.0
95.04947	0.7
95.08608	2.4
97.02903	1.8
97.06512	1.0
97.10133	0.3
99.04436	0.7
99.08049	0.3
103.05423	0.2
105.07037	5.2
107.08600	2.0
107.23947	0.2
109.02882	3.1
109.06473	0.5
109.10175	1.0
111.08061	0.2
111.11632	0.2
113.05925	0.2
118.04191	0.2
118.32710	0.2
119.08591	3.5
121.10151	3.0
123.08058	0.6
123.10961	0.2
123.11726	2.6
125.03301	0.2
127.03922	3.1
127.07571	0.4
129.06999	0.5
131.08604	0.4
133.08557	0.2
133.10118	0.7
134.03642	0.2
135.11665	0.5
137.09525	0.2
137.13251	0.3
140.01067	0.2
145.04942	0.4
145.10129	0.4
147.04424	0.3
147.11693	8.7
153.01816	0.4
157.10101	0.5
159.02963	0.2
159.07988	0.2
161.13249	0.2
165.12769	4.1
168.00545	1.3
169.01308	0.3
175.11189	0.7
183.13802	1.2
186.01595	1.0
191.17938	0.2
193.12276	1.2
211.13246	0.3
213.05489	0.2
217.19458	0.3
219.23715	0.2
229.04953	0.2
229.14366	3.3
240.04222	0.4
241.04991	0.5
255.06461	0.3
257.04590	0.2
258.02908	0.2
258.05231	1.1
269.04446	0.5
272.91486	0.2
285.03915	2.6
286.04730	39.1
287.05112	0.6
299.05530	0.3
301.07074	100.0
302.07550	1.5
337.16434	1.1
343.08087	0.3
351.09918	0.3
355.17557	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95586	1.4
55.05505	5.2
57.03429	2.8
57.07082	100.0
59.05007	52.1
60.05657	1.6
65.85217	1.6
67.05502	3.5
69.07063	5.3
70.97926	1.6
71.08640	99.1
72.26480	1.4
73.02934	2.3
79.05444	1.8
81.07064	4.9
83.04994	2.3
83.08622	6.5
85.10191	92.5
87.04462	5.7
89.06036	31.9
91.05497	2.1
93.07056	2.3
95.08651	1.6
97.10184	2.0
98.21741	1.3
99.11757	10.7
101.06040	1.9
101.09654	4.1
103.07578	2.1
105.07032	5.0
106.04803	1.5
109.10187	2.2
112.36819	1.3
117.09138	13.7
133.08626	17.0
141.16411	12.4
157.45468	1.9
162.70340	1.7
177.11232	11.8
181.02621	1.9
199.20619	27.1
207.76970	1.6
218.05733	1.5
238.64606	1.5
240.23177	4.0
257.24786	42.0
283.17526	12.7
308.29535	2.1
315.29105	3.6
323.20825	1.6
341.21631	5.4
399.25916	1.7
543.18909	2.4
655.30743	2.4
672.30048	1.8
672.52277	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	672.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.1
57.03443	1.5
57.07083	100.0
59.04708	1.5
59.05009	31.4
69.07079	3.4
70.06624	1.3
70.18957	2.8
71.08640	74.3
81.07066	0.8
83.08649	3.6
85.10192	59.8
87.04473	6.0
89.06042	48.9
95.08640	1.7
97.10216	3.3
99.11750	10.5
99.12334	1.0
101.06068	0.9
101.09694	3.2
103.07615	1.1
109.10216	0.7
113.13326	3.8
116.07124	1.6
117.09145	10.1
122.07329	0.8
130.08682	1.9
133.08623	33.2
149.45959	0.8
155.17957	11.9
155.19083	1.1
157.17343	0.7
175.09717	1.5
177.11247	16.0
177.12686	1.1
213.22166	20.7
219.12277	1.1
221.13948	2.6
239.15019	1.1
254.25021	2.0
261.67880	0.8
271.26343	21.2
271.29080	1.4
283.17700	1.3
309.19504	0.8
327.20193	14.3
367.23303	1.5
385.24432	4.0
439.15244	0.9
443.28928	1.5
459.27789	4.5
672.52545	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	673.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64208	0.2
53.03949	0.2
55.05518	0.3
57.03448	0.2
59.73308	0.2
63.09752	0.1
67.05506	0.6
68.99800	0.2
69.03432	0.5
69.07069	0.6
69.84068	0.7
77.25868	0.1
79.05506	0.5
81.03414	0.9
81.07072	1.7
83.08638	0.3
85.02915	0.4
85.06531	0.2
91.05492	0.6
93.07021	0.4
95.08614	0.6
97.02890	0.4
97.06533	0.3
97.10242	0.2
99.04507	0.2
105.06400	0.1
105.07033	0.8
107.08611	0.5
109.02905	0.9
109.10140	0.4
118.04198	0.5
119.04987	0.2
119.08620	0.7
121.02895	0.2
121.10143	0.6
123.11729	0.6
127.03963	0.8
131.08586	0.2
133.10139	0.3
135.11697	0.2
140.01047	0.4
147.11690	1.7
161.13251	0.2
165.12770	1.4
168.00560	2.1
169.01390	0.2
175.11346	0.2
175.12906	0.2
183.02838	0.2
183.13817	0.3
186.01575	1.1
189.16507	0.2
193.12209	0.5
201.12718	0.2
212.04643	0.3
213.05394	0.2
229.05072	0.3
229.14346	0.8
240.04221	0.5
241.04935	0.4
255.06577	0.6
257.04443	0.2
258.05276	1.3
268.03769	0.4
269.04465	0.8
283.06076	0.2
285.03986	4.5
286.04758	52.5
287.05051	0.7
301.07101	100.0
302.07379	1.3
337.16315	0.2
355.17474	0.6
511.18579	0.3
685.59149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35059	2.1
57.07081	3.7
59.78740	2.1
71.08630	4.0
71.52399	2.7
80.35205	2.1
81.03407	2.5
81.07056	3.9
90.35038	2.1
91.05490	2.6
93.07025	2.6
95.04958	2.8
99.92065	2.1
107.08601	2.1
156.08051	2.2
207.42197	2.3
237.10216	4.1
237.13844	2.7
239.11784	3.2
243.11407	7.3
258.37000	2.4
263.11685	2.3
275.11987	3.5
307.14218	3.0
332.13806	3.9
333.14575	5.5
358.37109	2.4
365.17932	3.6
393.16638	3.3
394.18039	2.5
397.17886	3.1
405.17297	2.6
409.20163	2.5
417.16568	3.7
421.20380	3.8
423.17886	3.7
431.18604	2.2
435.17856	3.9
437.19730	16.5
438.20575	3.4
449.19772	6.7
450.20508	4.0
451.21344	9.1
453.22906	5.6
461.19592	2.4
463.21811	3.6
464.22287	5.2
468.17847	3.4
475.21701	11.3
478.20197	2.8
490.19897	3.8
491.20657	8.8
492.21497	4.7
493.22162	5.8
497.25024	3.1
507.19843	4.6
509.21799	6.8
510.22580	3.9
522.22656	24.1
523.23376	16.1
524.24359	17.2
525.25031	7.7
533.21313	3.7
535.23438	3.1
539.26251	4.4
540.26904	5.1
551.22772	26.8
552.23627	7.8
567.25781	3.6
579.22510	4.4
593.27527	5.0
595.25385	7.6
597.23645	5.5
599.28979	3.0
609.26611	4.4
611.25043	84.8
612.25500	3.1
627.28088	34.7
639.24512	100.0
671.30890	60.8
671.41809	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53546	0.3
53.03920	0.5
55.05516	4.3
57.03444	3.7
57.07081	37.0
59.04986	0.5
61.02932	13.0
65.03925	0.6
67.05508	9.2
69.03439	2.3
69.06731	0.5
69.07074	6.8
71.05022	0.6
71.08637	30.0
73.02556	0.5
73.02930	5.0
75.04491	2.0
76.39927	0.3
79.05495	1.5
81.03407	1.4
81.07066	13.4
83.08626	11.6
85.02914	16.0
85.06537	0.6
85.10189	18.8
87.04457	0.6
89.06033	1.7
91.03966	12.9
91.05482	0.9
91.48032	0.3
93.07043	1.7
95.00639	0.4
95.04964	1.0
95.08617	24.3
97.02302	0.6
97.02903	9.1
97.10188	6.5
99.04461	0.8
99.08064	0.5
99.11741	0.9
103.03982	0.5
103.07576	0.8
105.07062	0.6
107.08588	0.6
109.02881	0.6
109.10163	12.0
111.11729	2.0
113.13287	0.4
115.03926	1.0
119.08559	0.4
121.10165	0.7
123.11719	5.4
125.13280	1.1
127.03928	5.6
135.04416	0.4
137.13280	2.2
145.04985	8.1
147.11714	0.4
149.13217	0.5
151.14725	0.8
163.06032	13.0
163.07428	0.7
163.11197	0.4
165.16432	0.7
167.14378	0.4
179.17995	0.4
221.22797	0.5
239.23723	19.4
240.84447	0.4
253.16400	0.4
257.24820	3.5
313.27390	100.0
314.27698	1.6
331.28445	49.4
332.28766	0.9
339.08258	0.3
475.32693	0.6
636.39648	0.7
672.41583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18563	0.2
58.82551	0.2
59.17042	0.2
67.05495	0.4
68.99792	0.3
69.03429	0.4
69.07059	0.3
77.25800	0.2
78.04700	0.4
79.05498	0.4
81.03393	0.6
81.07060	0.5
85.02902	0.9
87.04469	0.2
91.05474	1.1
93.07045	0.6
95.04978	0.4
95.08587	0.3
95.64758	0.2
97.02889	0.8
99.04469	0.2
100.51153	0.2
105.07024	0.4
107.04946	0.6
107.08585	0.6
109.02863	0.9
109.06520	0.3
109.10142	0.3
118.04217	0.6
119.04949	1.5
121.02892	0.4
121.06462	0.5
121.10198	0.3
123.04413	0.4
123.08047	0.3
123.11685	0.2
127.03932	3.2
131.04968	0.3
137.02333	0.3
137.05989	2.2
140.01027	0.5
145.02888	0.3
145.10127	0.4
146.08179	0.2
147.04417	1.3
149.05992	0.3
151.03941	0.2
151.07555	0.7
161.06073	0.4
163.14804	0.2
167.07059	16.8
168.00565	2.8
169.01332	0.3
175.03978	1.5
175.07613	0.3
177.05499	1.8
181.08646	0.5
184.05127	0.3
186.01662	1.4
187.04031	0.3
187.05974	0.3
195.72636	0.3
207.06554	2.9
209.08104	8.7
212.04610	0.3
227.09111	0.4
229.05011	0.6
240.04213	0.8
241.04951	0.6
255.06516	0.4
257.04495	0.3
258.05264	1.6
265.08630	0.4
268.03687	0.7
269.04568	1.0
277.08636	0.2
285.03961	5.1
286.04742	59.0
287.05225	0.6
297.11108	0.3
301.07089	100.0
302.07379	1.8
303.04996	4.7
303.08295	0.3
309.11328	0.3
320.61310	0.3
353.12616	0.3
468.54343	0.2
671.26947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2925
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
55.05510	2.1
57.07080	1.4
66.24088	1.0
67.05499	1.8
69.07073	1.7
72.08160	7.8
76.95241	0.9
79.05523	1.0
81.07082	2.6
83.08637	0.8
84.72615	0.9
85.10197	1.1
95.08615	2.3
97.10155	0.9
98.21611	2.3
105.07094	0.9
107.08649	1.2
109.10220	1.1
140.71049	0.9
197.10710	1.8
210.11491	1.6
211.12302	1.4
221.10797	1.2
223.12267	2.1
224.13179	3.5
225.13983	3.4
235.12447	1.5
237.13943	2.2
265.13547	3.4
267.15039	1.6
275.15659	1.6
379.19299	1.4
391.19626	1.7
393.20865	1.7
407.22620	1.8
418.18454	1.0
419.18945	2.4
420.19498	2.7
421.20355	3.4
433.20776	1.5
434.17252	1.3
435.21890	5.0
436.22711	3.5
447.17712	1.8
448.19034	2.0
449.23965	4.6
461.19910	3.4
462.20667	1.6
463.20782	12.2
475.21954	1.3
476.21848	1.6
489.19519	1.4
493.18231	1.3
495.23502	6.3
503.20850	1.7
507.24408	2.6
508.24765	1.8
517.23090	1.5
521.25519	3.5
522.26184	2.0
523.27258	21.7
531.24036	2.7
532.24298	1.5
535.23340	2.7
549.25159	14.0
550.25830	4.3
551.26447	1.7
559.23126	1.2
564.27802	1.4
567.26410	1.7
577.24475	9.1
581.27643	1.9
582.28546	19.9
591.25946	5.2
605.23901	9.0
609.27087	28.8
619.26031	1.6
622.39716	1.2
637.26636	41.2
651.28271	1.9
668.46527	1.5
669.29272	100.0
670.29675	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2924
Annotation	Agrimol G
Peak:m/z	Relative Intensity
67.05505	0.5
93.07072	0.4
95.08656	0.4
105.07032	0.6
107.08649	0.6
124.14053	0.5
133.10147	0.5
177.34238	0.4
183.00069	0.5
229.41103	0.5
267.11252	0.6
377.17947	0.8
378.18790	0.6
379.19720	0.6
391.19308	1.5
392.20041	1.1
393.20621	3.3
405.17166	1.6
419.18732	3.5
420.19717	2.4
421.20322	5.2
429.17535	0.7
432.19360	0.6
433.20370	2.1
434.21143	1.3
435.17932	1.0
446.21359	0.5
447.17490	3.1
448.18869	2.7
449.19684	5.0
450.20569	0.9
461.20062	2.6
462.20660	1.3
463.16541	0.6
463.22131	0.9
473.19595	0.9
475.21286	1.5
476.18582	1.7
477.19025	2.2
489.19299	1.4
491.20929	1.8
493.22787	1.0
495.23679	0.7
503.20770	1.7
504.21622	0.6
505.22089	0.8
507.24338	5.3
521.25507	0.5
523.23779	0.9
531.24420	0.7
535.23468	9.5
535.30933	0.8
549.25073	4.1
559.23492	1.6
563.23004	14.3
564.23309	0.6
567.26312	1.1
577.24432	4.8
579.25732	1.0
581.27338	1.9
595.25604	3.8
609.26959	5.5
623.25128	5.9
637.26636	1.8
641.29877	1.4
669.29248	100.0
670.29602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58282	0.4
68.86402	0.5
71.52412	0.6
81.03433	0.7
81.07081	0.7
91.05476	0.6
105.07003	0.7
121.17805	0.5
185.45140	0.5
312.79428	0.5
314.44785	0.5
377.17801	1.0
379.19357	1.3
391.19382	1.8
392.20181	1.0
393.20908	0.8
405.17181	2.0
405.21741	1.1
406.17490	0.7
407.22583	4.5
408.23087	0.8
419.18243	3.6
420.19568	2.0
421.20551	3.6
433.20850	4.2
434.21228	3.7
435.21927	9.0
436.22681	0.8
447.17975	1.8
447.22668	1.3
448.18881	0.6
449.19614	5.5
459.21933	1.0
461.19989	1.9
462.20319	4.0
463.21323	3.7
464.22134	1.0
475.21332	2.0
479.20773	0.7
481.22989	0.6
489.22714	0.8
507.20358	0.9
521.25726	9.8
522.23016	1.0
523.23724	0.7
535.23389	1.2
547.27051	1.5
549.25049	22.4
550.25800	0.9
577.24475	0.8
581.27771	4.4
591.96497	0.5
609.27069	17.1
610.27222	0.8
669.29236	100.0
670.29364	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2927
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.06428	0.5
56.85173	0.5
60.81848	0.5
65.01776	0.4
67.05504	0.7
67.59235	0.5
69.03397	0.5
69.87321	0.5
79.05508	1.1
81.03427	0.6
81.07048	0.8
83.01525	0.6
87.95966	0.4
91.05476	0.6
93.07066	0.8
95.08624	0.6
98.21552	1.1
107.05032	0.6
107.08569	0.6
109.10217	0.7
127.99036	0.5
169.21700	0.5
183.11807	0.5
197.95703	0.5
229.22659	0.6
231.84445	0.5
246.22850	0.6
250.66328	0.5
369.24533	0.6
379.19614	0.8
391.19324	0.8
393.20959	1.3
402.58096	0.5
405.17072	1.6
405.21600	0.7
407.22693	3.7
418.17816	1.1
419.18610	3.2
420.19656	1.9
421.20267	3.1
423.21848	1.2
433.20447	14.0
434.21588	4.7
435.22354	3.9
436.22736	1.3
447.22034	2.0
449.19608	4.2
450.20551	0.7
462.20871	1.5
463.21524	2.6
464.22034	1.2
475.21646	0.7
481.21967	0.7
493.22592	2.0
495.24368	0.6
505.22589	1.4
506.22675	0.6
508.20773	0.7
509.21930	1.6
520.25012	0.8
521.26288	5.8
522.22717	3.5
523.23254	3.1
535.23499	1.7
548.24646	1.4
549.25214	4.5
565.25018	0.9
567.22668	0.7
577.24365	1.8
579.26282	1.5
580.26984	1.1
581.26929	1.8
605.24323	0.6
609.27191	17.1
609.36261	0.7
610.27802	0.7
637.26599	2.6
651.27472	0.9
651.37970	0.7
669.29285	100.0
670.29480	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
57.03437	0.7
57.07071	0.4
67.05513	4.3
69.07075	0.8
69.43291	0.8
69.43706	1.4
71.04987	0.3
79.05498	1.4
81.07063	3.3
83.08634	0.3
91.05496	1.3
93.07053	2.4
95.08609	2.6
103.81413	0.3
105.07054	1.0
107.08622	1.0
109.10192	0.9
117.07047	0.4
119.08614	1.0
121.10149	0.8
131.08620	0.4
133.10130	0.4
135.11707	0.5
145.10175	0.6
161.13361	0.3
247.13177	0.6
258.59894	0.3
303.15747	0.6
319.07306	0.4
333.20401	8.7
333.24219	0.6
335.25870	0.8
389.23068	4.8
581.38416	1.1
607.76227	0.4
630.51715	0.3
667.45496	100.0
668.45776	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	669.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.9
68.99791	0.4
69.03417	0.7
69.90744	1.5
76.03158	0.3
77.03928	0.5
81.03432	3.4
85.02895	0.9
89.03920	0.6
91.05488	15.2
103.05466	0.5
105.03426	0.4
109.02896	1.3
118.04188	1.3
119.04947	23.7
121.02891	0.5
121.81425	0.3
123.00806	0.3
131.04907	0.3
132.02072	1.1
133.02841	0.3
135.04553	0.3
140.01025	0.5
147.04416	20.4
149.02371	0.5
157.03973	3.1
162.03181	0.4
164.04741	0.7
168.00558	5.4
169.01343	0.7
175.03917	40.2
176.04320	0.5
179.07085	1.7
186.01563	1.7
192.04285	0.4
207.06537	92.5
208.06908	1.1
212.04692	0.6
213.05495	0.6
225.07562	0.5
229.04959	0.6
241.04887	1.0
255.06592	0.7
257.04568	0.6
258.05212	2.4
268.03687	0.7
269.04468	3.3
283.06088	0.3
285.03943	8.2
286.04730	77.2
287.05106	1.3
301.07077	100.0
301.54504	0.3
302.07407	1.6
323.49896	0.3
351.10770	7.0
369.11823	2.8
468.49411	0.3
496.42786	0.4
608.64301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27922	0.2
56.90419	0.2
63.02396	0.6
67.05510	0.2
68.54693	0.2
68.99799	0.4
69.03438	0.8
71.86318	0.2
78.04719	0.4
81.03423	2.9
81.03874	0.3
81.07036	0.2
84.23583	0.2
85.02894	0.8
89.03923	5.1
91.05477	1.4
95.04956	0.3
97.02859	0.2
98.20793	0.5
99.04453	0.4
101.38106	0.2
103.05463	0.2
105.03392	0.4
105.07006	0.2
105.81627	0.2
106.04161	0.3
107.04974	0.3
107.08571	0.2
108.95781	0.2
109.02897	1.2
117.03384	15.5
119.04935	2.1
121.02899	0.3
121.06556	0.2
127.03915	0.5
129.04463	0.2
131.04958	0.4
133.02939	0.3
134.03641	1.5
135.04410	0.9
145.02852	39.1
146.03244	0.3
147.04417	2.3
148.05200	0.6
149.02371	0.3
149.05991	6.0
153.01816	0.5
155.95053	0.2
158.06070	0.2
162.03146	0.3
163.03915	0.4
166.99785	0.5
168.00542	1.3
169.01378	0.7
175.03923	3.6
175.05313	0.3
177.05475	100.0
178.05794	0.7
179.03413	0.4
179.07080	0.2
182.02101	0.3
183.02905	0.3
185.00862	0.7
186.01561	0.5
186.05449	1.2
194.02110	0.4
195.06583	0.7
197.06049	0.2
205.71890	0.2
207.06541	7.8
211.03944	0.2
213.05444	0.4
225.05420	0.4
228.04196	0.4
229.04889	0.5
241.04988	0.5
242.05690	0.4
243.06557	0.4
245.04454	4.7
252.26161	0.2
256.03638	1.3
257.04544	0.4
259.06143	0.6
260.06805	0.4
269.04443	1.7
270.05179	1.2
271.05969	1.3
273.03943	8.7
275.09171	0.2
279.08719	0.2
281.04504	0.3
283.02466	0.2
284.03168	3.1
285.03983	0.9
285.07614	0.5
286.04727	2.5
287.05481	1.3
288.06277	0.6
298.04721	3.8
299.05557	4.1
301.03442	9.7
301.07095	6.4
303.08725	0.2
315.04996	4.7
316.05786	40.4
317.06110	0.6
321.09695	6.6
331.08124	97.9
332.08536	1.5
334.15073	0.2
339.10742	3.2
351.10873	0.5
363.10767	0.2
369.11688	0.5
555.31036	0.2
611.57257	0.2
699.22131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36262	0.3
53.03934	0.4
63.11198	0.3
64.55194	0.3
65.03934	1.0
66.92142	0.3
68.99789	0.6
69.03416	1.2
71.04971	0.4
71.52331	0.5
77.03891	0.4
79.05473	0.5
80.32888	0.3
81.03421	3.5
81.07048	0.5
82.69511	0.3
85.02909	1.6
91.05487	14.3
93.07060	0.5
95.08588	0.5
97.02852	0.4
105.03419	0.4
105.07009	0.3
107.08558	0.5
109.02880	1.5
118.04195	1.0
119.04948	23.9
121.02904	0.5
121.10072	0.5
127.03920	1.4
129.03362	0.6
129.59662	0.3
130.16112	0.3
132.02042	0.9
135.11528	0.4
137.05951	0.5
140.01025	0.6
145.02859	0.7
146.08101	1.0
147.04420	19.7
149.02321	0.4
150.50616	0.3
157.03995	2.2
162.03133	0.3
164.04738	0.6
168.00555	4.0
175.03923	36.4
177.05447	0.6
179.06992	2.0
186.01620	2.2
192.04216	0.7
194.97484	0.4
207.06540	99.1
208.06744	0.9
212.04729	0.5
213.05518	0.7
225.07642	0.5
229.05055	0.5
240.04106	0.9
241.04993	0.7
255.06538	0.9
257.04510	0.3
258.05344	2.4
268.03586	0.6
269.04477	3.1
285.03964	8.1
286.04733	73.6
287.05225	1.6
301.07080	100.0
302.07462	1.5
331.07809	0.4
351.10742	7.3
369.11768	3.4
422.06146	0.3
440.05551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74752	1.2
56.51313	1.1
57.07070	2.9
59.05007	1.5
71.52531	1.5
85.10178	2.1
89.06046	2.6
93.07038	1.4
109.10186	1.4
134.46599	1.3
140.36369	1.3
268.35068	1.2
277.09268	1.3
285.12778	1.4
355.30289	1.3
363.16351	1.5
370.15814	1.2
375.16516	1.4
376.17261	1.4
377.17664	6.6
378.18253	2.1
390.18674	2.8
391.19193	10.5
392.19781	6.5
401.17722	2.0
404.20181	1.7
405.21292	6.9
406.21609	2.4
407.22330	12.0
414.14502	1.5
417.17484	1.4
419.18192	8.6
420.19110	5.6
431.18600	2.3
433.20078	3.9
434.20972	5.2
435.21912	11.1
436.18689	2.5
442.18143	1.4
445.20267	1.5
446.20789	2.1
447.17990	3.7
447.22412	2.0
451.21417	11.2
459.17667	6.7
461.19342	2.6
463.25558	2.4
465.23010	4.3
473.19852	3.7
474.20651	6.0
477.18976	2.1
479.20868	44.4
487.16846	1.6
489.22717	5.7
491.24136	1.8
493.22360	9.3
494.23154	5.0
501.19147	4.6
502.20056	3.6
505.17899	7.1
506.19614	1.5
515.20697	5.4
516.21411	3.7
517.22400	97.1
519.23920	1.3
521.25262	5.3
537.25421	1.6
547.23279	3.6
549.25024	79.2
550.25317	3.0
565.24780	3.4
575.22699	10.7
576.23145	1.9
580.26666	2.3
589.24335	1.6
593.24139	17.9
607.25366	7.3
608.26477	13.3
635.25043	100.0
636.25397	4.0
667.27460	98.4
668.27734	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	667.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.1
72.08167	1.2
88.55791	0.9
91.05520	1.1
102.49268	0.9
112.07623	1.0
122.34349	0.9
209.10893	1.2
221.10818	1.6
231.47395	0.9
249.10368	1.6
338.13071	1.7
352.14581	1.4
353.15329	1.1
366.12418	1.6
376.17352	1.5
377.17670	2.1
385.14478	1.5
388.17056	1.2
389.17776	2.9
390.18527	4.8
391.19235	7.3
396.13669	2.1
398.15338	2.0
399.16187	1.4
401.18292	1.3
403.19568	2.4
404.20090	2.7
405.20981	9.1
406.21530	3.4
408.13351	1.1
410.11359	1.6
415.19913	1.1
417.16547	1.4
417.21313	2.3
419.23050	4.8
420.23175	1.6
425.13657	1.4
427.19614	1.3
428.16180	2.7
430.17914	1.3
431.18695	1.5
433.20203	2.9
435.18158	3.7
445.20682	1.9
447.21985	5.2
449.19635	5.0
450.20596	3.1
451.21732	1.0
459.22562	2.0
461.19836	4.9
461.24966	1.3
462.23929	2.0
463.21591	5.4
464.22281	2.4
465.22864	8.4
473.19824	3.1
477.23306	1.8
478.24030	2.0
479.20871	5.3
487.21396	4.4
488.17761	1.9
489.19302	3.4
491.20944	2.2
492.20706	1.1
493.22186	33.4
494.23120	2.3
501.19275	7.6
505.18805	4.3
505.23474	1.3
506.23303	1.6
507.24490	2.1
515.21094	7.0
516.21588	4.0
519.23877	3.2
521.25836	8.8
523.23450	2.4
529.22113	1.2
532.20837	1.2
533.21509	4.6
537.25269	3.8
547.23553	7.0
548.23657	1.4
551.27032	13.3
552.26715	1.4
561.21539	2.4
565.24463	28.9
575.22876	10.0
576.24152	1.3
579.26062	15.2
580.26819	70.7
581.26965	1.9
583.72498	1.1
589.24493	2.1
607.25580	39.2
608.25970	1.3
618.25360	1.3
635.25110	32.2
636.25421	1.5
639.28284	7.8
649.26349	9.3
667.27698	100.0
668.28064	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	667.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
60.12253	0.1
67.05498	0.4
68.82564	0.1
69.03426	0.2
69.07055	0.3
77.80113	0.1
81.03413	0.3
81.07040	0.4
83.04982	0.1
85.02882	0.2
86.87664	0.1
91.05475	0.6
93.07040	0.4
95.04960	0.3
95.08600	0.4
97.06538	0.3
97.10163	0.1
105.07032	0.4
106.07297	0.1
107.04939	0.2
107.08585	0.4
109.02858	0.1
109.10136	0.3
111.04436	0.1
114.69054	0.1
119.04941	0.8
119.08611	0.2
121.06516	0.1
121.10130	0.2
123.00793	0.2
123.04459	0.1
123.11668	0.2
125.09583	0.1
127.03922	0.2
131.04984	0.2
131.08597	0.2
132.05731	0.5
133.06482	0.4
133.10121	0.2
135.04453	0.2
135.11664	0.2
137.05974	0.5
137.09546	0.1
139.03944	0.2
145.10130	0.3
147.04453	0.8
147.11725	0.1
149.02335	0.1
149.09621	0.1
152.01106	0.1
153.07011	0.2
161.06030	0.2
161.13319	0.1
163.03908	0.2
163.11205	0.2
164.87062	0.1
166.02617	0.5
167.03406	0.3
167.07143	0.2
168.05763	0.3
175.03954	1.0
177.05470	0.3
182.07263	0.5
183.08070	0.9
184.02205	0.2
184.03668	2.0
185.06023	0.2
187.07484	0.1
196.05206	0.4
197.05997	0.4
197.09511	0.1
200.08299	0.2
207.06537	2.2
210.06705	0.4
211.07594	1.3
213.05487	0.5
224.04660	0.2
225.05463	0.3
227.07024	1.0
228.07843	0.8
239.07011	2.5
241.04959	0.7
242.87949	0.1
243.10193	3.3
252.04402	0.2
253.04807	0.1
255.06570	0.6
256.07327	4.7
257.07791	0.2
267.06488	0.7
269.04462	0.2
271.09631	0.2
283.05972	1.6
284.06802	14.2
285.07169	0.2
286.04666	0.5
299.09143	100.0
300.09500	1.4
301.06952	0.7
317.06628	0.4
476.10602	0.1
570.36639	0.2
667.35358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01870	3.6
55.05516	18.8
56.17542	1.5
56.71671	1.8
57.03425	4.5
57.07064	5.4
62.15412	1.5
65.03935	2.7
67.05508	67.7
69.07076	18.5
69.26662	10.1
69.27068	3.8
71.04978	2.8
71.08619	5.1
79.05497	30.2
81.03423	2.8
81.07059	65.0
83.04972	7.2
83.08631	11.7
84.08144	1.6
85.06559	2.5
91.05493	23.1
93.07049	34.0
95.04939	6.5
95.08610	39.8
97.06506	5.0
97.10194	5.1
98.21478	2.7
99.08060	4.5
105.07052	11.4
107.08590	18.8
109.10158	16.8
109.91373	1.9
111.08057	3.3
117.07046	7.9
119.08560	9.5
121.10147	12.0
123.11697	5.6
125.09692	1.8
130.08664	3.9
131.08540	5.3
133.10127	11.0
135.11700	5.3
137.13203	1.8
139.11162	3.2
141.67052	1.6
141.70537	1.6
145.10092	2.5
147.11714	5.2
149.13283	5.7
149.60805	1.6
151.11186	6.6
159.11707	3.3
161.13226	4.0
162.00385	1.7
175.14822	3.3
177.12730	2.1
194.28923	1.6
195.13774	5.6
196.60060	1.7
229.14322	2.7
259.20593	2.4
263.23730	3.7
269.17520	12.0
277.21600	7.9
328.07974	2.2
337.27365	38.9
351.25223	11.1
398.55008	1.9
441.20834	1.7
442.21219	1.7
481.88361	2.0
491.37283	7.2
499.38583	1.7
521.08423	1.5
531.40491	100.0
532.40918	2.6
553.33698	1.8
554.33630	4.3
610.39789	4.7
613.48273	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	666.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
52.69195	0.5
53.03946	0.6
55.01857	0.9
69.03439	1.4
70.06587	0.6
70.73315	0.7
70.73672	1.2
71.04994	0.7
71.19890	0.4
73.02939	0.9
78.04707	1.8
79.05507	3.2
81.07063	1.3
82.68838	0.5
83.04985	0.7
85.02896	1.5
89.06036	0.6
91.05492	3.9
93.03395	0.5
93.07037	1.1
94.05626	0.6
95.04961	1.9
95.08630	0.7
97.02853	0.6
97.06535	0.8
98.45404	0.5
100.07649	0.5
103.05475	1.9
105.04540	0.7
105.07025	3.0
106.04157	1.6
107.04962	8.5
109.02895	1.1
109.06522	1.0
109.10160	0.8
110.29158	0.5
111.04455	0.9
113.06004	0.6
115.05460	1.9
117.06992	1.9
119.04905	0.8
121.06522	3.4
123.04426	4.0
123.08065	0.6
124.05220	2.6
125.05972	0.5
128.06219	0.8
129.07025	1.4
131.04916	2.4
131.08614	1.4
133.06497	3.7
133.10123	0.8
135.04414	1.2
135.11740	0.6
136.05171	0.5
137.05984	1.6
138.66965	0.5
141.06967	0.8
143.08621	1.0
144.05630	1.3
145.02849	0.7
145.06522	3.0
145.10156	0.5
147.04407	1.0
149.05995	2.3
151.03906	1.0
151.07542	1.4
152.04657	1.3
153.05482	1.3
155.06050	0.7
157.06564	0.7
158.07224	0.6
159.08029	3.1
161.05988	5.4
163.03931	2.4
163.07579	2.6
167.07048	100.0
168.07353	1.2
170.07262	0.7
173.06007	4.1
175.07567	1.0
177.05490	1.8
177.09113	0.7
178.06235	2.4
179.07042	1.5
181.08615	10.1
187.07547	4.0
189.09099	0.8
190.06209	1.0
191.07094	1.9
192.07877	0.8
193.08633	11.1
193.10249	1.2
194.07236	0.6
195.06464	1.4
196.00655	0.5
197.05881	0.6
199.07478	1.1
204.07787	0.7
205.08621	4.6
207.10352	0.6
208.08861	0.6
211.07411	0.7
215.08760	0.7
217.08624	3.3
218.07292	0.8
219.08127	1.4
219.10236	3.2
220.08769	1.0
221.09642	0.8
223.07649	1.0
223.09595	9.7
231.08075	0.8
231.10217	1.6
232.08890	1.3
233.09589	2.8
234.06763	0.8
237.09100	1.3
237.11148	0.7
239.10707	0.6
243.10210	0.8
248.08336	0.8
249.09064	2.0
249.11302	13.1
249.81946	0.6
250.09843	0.9
251.10614	1.6
261.09137	2.4
263.07004	0.9
263.10526	0.8
265.08591	1.1
267.10138	1.1
277.08621	1.6
278.09274	1.4
279.10144	1.9
281.11768	1.7
283.09662	0.6
283.13309	1.1
285.11288	0.9
289.08545	1.4
293.11694	2.4
295.09735	0.7
297.11121	0.8
299.12936	0.6
301.10553	0.7
306.08792	0.6
309.11224	1.6
311.12750	2.7
321.11264	2.9
325.14163	2.7
327.12589	0.8
328.12946	0.8
329.13745	0.7
335.12537	0.6
339.12283	3.0
341.13968	2.1
343.15430	4.7
353.13943	4.2
359.14969	1.3
361.16492	29.7
371.14920	17.7
371.18805	0.7
385.16513	11.0
389.15875	20.2
403.17447	1.3
421.18768	1.1
529.55365	0.6
549.66443	0.6
640.08472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44044	1.2
55.01863	0.9
55.05517	12.0
57.03440	1.4
57.07086	1.1
60.30013	0.9
66.31496	0.9
67.05498	6.4
69.03434	5.1
69.07076	15.3
70.06639	0.9
70.07440	2.5
71.05017	1.5
71.51954	1.4
73.72120	1.0
79.05499	5.4
81.03433	2.4
81.07065	19.5
83.04986	4.7
83.08632	3.0
85.02914	5.5
85.06567	1.5
87.04506	1.1
91.05492	4.0
93.07049	9.8
95.04981	2.8
95.08613	16.7
97.02893	3.1
97.05966	1.2
97.06557	7.2
97.10179	33.5
99.04467	1.7
101.06028	1.0
105.07041	17.9
107.04962	1.0
107.08606	16.3
109.06518	6.6
109.10168	10.1
111.11703	1.7
119.08601	12.6
121.06491	1.3
121.10156	12.8
123.08066	7.4
123.11740	10.2
125.09630	5.5
127.07604	2.4
131.08557	3.7
133.10114	6.0
134.05112	1.1
135.08089	1.3
135.11722	6.5
137.09625	4.9
137.13251	2.7
139.11166	6.6
143.08598	2.0
143.10669	6.4
145.10141	7.9
147.04370	1.4
147.08075	1.1
147.11702	32.5
149.09653	7.8
149.13269	3.8
151.07552	1.5
151.11136	4.8
157.10216	1.9
157.12213	1.2
159.11697	6.3
160.12007	1.0
161.09689	1.5
161.13271	12.3
163.11223	4.0
163.15007	1.6
165.09143	1.9
165.12759	22.7
167.07050	1.4
167.10661	1.4
169.10210	1.1
171.11684	1.9
173.09691	1.2
173.13300	3.5
175.11235	4.4
175.14842	1.0
177.05472	1.9
177.11436	1.0
177.12746	6.4
177.16368	1.1
179.14383	5.5
185.13338	1.1
187.11209	2.9
187.14886	2.0
189.11255	1.4
189.12794	3.3
189.16409	1.6
191.10748	1.4
191.14351	1.1
193.12251	19.6
195.13762	2.1
197.13303	1.2
205.12308	2.9
205.16060	1.3
207.13820	7.1
211.13200	1.4
215.14372	1.3
217.15915	1.4
229.14365	14.5
243.15935	3.8
267.21014	3.4
270.05237	1.3
271.05606	1.4
281.84067	1.0
285.22144	2.8
286.04825	5.5
287.05185	4.6
288.05356	3.1
295.20627	2.7
300.05411	1.3
301.07086	7.2
302.07501	5.5
303.07666	3.6
303.23099	8.0
304.07858	2.2
305.24722	2.0
313.06906	5.4
313.21625	10.6
314.07419	5.4
315.07663	4.4
316.08041	2.2
317.06689	2.0
321.24313	5.0
331.22668	29.8
349.23727	20.5
367.24832	22.4
369.13367	6.1
370.13693	14.8
371.13974	12.3
372.14169	11.3
405.26303	2.2
411.10822	1.7
423.27478	29.5
441.28503	100.0
442.29175	1.8
459.29343	1.7
469.28043	1.2
504.32401	3.1
555.72791	1.2
597.76404	1.2
612.92896	1.2
666.36694	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05794	0.6
50.16613	0.8
50.92141	0.7
50.96066	0.6
52.00458	0.7
54.01865	0.6
55.01851	0.8
55.05516	7.2
57.03193	1.1
57.03448	12.3
57.07084	21.6
59.05004	3.3
61.02934	5.0
61.98745	0.7
67.05512	61.8
67.24094	0.8
69.03434	1.1
69.07077	6.3
70.87931	0.6
71.04997	2.6
71.08639	17.9
73.02921	0.7
79.05482	1.3
81.07068	14.1
83.04945	0.9
83.08630	10.7
85.02919	4.1
85.06547	1.8
85.10188	10.8
87.04485	1.3
89.06034	1.1
89.41042	0.7
91.03965	1.1
91.05499	4.1
93.07044	2.8
95.08619	14.2
97.02887	2.5
97.10163	2.7
103.07587	0.8
106.79126	0.6
107.08578	1.9
109.10170	71.6
111.08109	2.1
119.08611	4.6
119.46441	0.7
123.11713	2.6
137.09627	2.7
137.13274	1.4
150.79883	0.7
155.10689	7.5
173.11755	17.8
229.14381	100.0
229.72906	1.0
239.23802	1.3
240.23257	0.7
257.24847	2.1
285.87158	0.7
313.27396	81.1
314.28027	0.9
457.23920	0.7
467.37375	62.0
518.88861	0.8
615.82733	0.7
667.67480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01868	4.9
55.05513	28.5
55.78461	2.1
56.12470	1.8
57.03441	10.2
57.07072	6.8
63.18832	1.9
65.03923	3.8
67.05509	100.0
67.31534	2.2
69.07071	37.2
70.56992	4.2
70.57345	4.3
71.04972	3.8
71.08623	2.8
74.28882	2.3
79.05498	48.8
81.03383	4.2
81.07061	99.0
83.04992	9.9
83.08632	15.5
85.06532	3.0
85.10136	2.1
91.05476	38.6
93.06491	3.6
93.07048	57.3
95.04962	9.3
95.08610	62.5
97.06558	10.4
97.10165	6.5
99.08077	3.3
105.04506	2.3
105.07033	26.1
107.04974	3.7
107.08597	27.7
109.06564	2.3
109.10150	21.3
111.08062	3.2
117.07037	13.1
119.08593	21.8
121.06560	2.4
121.10150	18.1
123.08115	4.1
123.11691	8.1
129.07007	3.8
131.08565	15.7
133.10124	22.3
135.11728	10.4
137.09570	2.1
137.13231	3.3
143.08539	2.7
143.19211	2.1
143.38789	2.2
145.10139	9.5
147.11656	13.2
148.08769	2.1
149.09647	3.4
149.13272	9.5
155.54793	2.1
159.11678	8.0
161.13266	5.7
163.11160	5.6
169.10115	2.9
173.13321	4.1
176.81056	2.0
177.12669	2.7
183.11746	2.5
185.13277	4.1
195.13840	4.9
227.12654	2.2
255.15939	6.6
257.19061	4.3
263.23688	3.8
269.17474	7.8
275.20093	23.7
327.07635	3.8
328.08270	2.3
337.27325	66.1
349.23837	16.3
367.24695	3.2
383.14044	4.0
491.37573	3.5
517.38934	18.5
531.40515	75.4
532.40723	2.3
552.33221	2.9
571.42987	3.4
608.39502	3.7
611.47040	16.0
629.47418	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01867	4.3
55.05277	2.4
55.05517	34.8
57.03194	1.8
57.03444	22.0
57.07082	8.9
65.03934	4.5
67.05511	91.1
69.07073	36.6
71.05002	3.6
71.08627	4.8
71.54979	2.6
73.06540	2.2
79.05500	58.5
81.07063	88.0
81.91247	1.8
83.04967	3.6
83.08625	22.4
85.06532	4.3
91.05486	53.5
93.07050	55.8
93.07638	3.2
95.04959	3.8
95.08614	68.9
97.06522	8.7
97.10178	12.9
99.08099	6.4
103.05428	2.1
105.04512	2.2
105.07040	51.8
107.04944	2.6
107.08601	34.2
109.06519	6.9
109.10164	27.3
111.08092	5.8
111.11696	2.2
113.61890	1.8
115.67799	1.8
116.06230	1.8
117.07030	22.4
119.08593	37.2
121.06493	1.5
121.10163	22.0
123.08092	4.1
123.11742	9.6
125.09676	8.7
128.06226	2.4
129.07019	15.0
130.07826	2.3
131.08578	27.7
133.10135	25.0
135.08051	4.8
135.11679	11.9
137.09605	3.4
137.13199	2.6
141.07004	3.7
143.08565	10.8
145.10121	27.3
147.11687	17.7
149.09607	7.5
149.13228	7.3
151.11234	3.5
151.14815	1.9
155.08563	5.2
157.10117	11.3
159.11716	27.0
161.09753	2.3
161.13275	11.7
163.11169	6.4
163.14807	2.6
169.10103	5.6
171.11690	6.2
171.61537	1.7
173.13274	9.4
175.11217	1.8
175.14838	3.6
179.14326	1.6
183.11711	4.5
185.13263	15.6
187.14767	3.2
189.11218	3.9
197.13225	4.2
199.14832	3.4
201.16388	4.8
203.14362	11.1
205.15892	3.9
211.14706	1.9
213.16489	2.4
215.17963	2.0
217.16136	2.1
219.17455	7.8
227.12830	11.7
229.19485	3.7
239.17850	10.0
241.19600	1.7
257.19000	22.1
259.20654	2.0
263.23734	4.1
267.15854	2.0
269.17413	3.7
275.20074	35.0
331.22614	6.7
335.25821	10.4
337.27396	100.0
349.19791	2.6
349.23773	33.3
351.25256	2.9
491.37112	7.1
507.36810	5.6
515.40454	2.0
517.39111	1.8
529.38770	6.7
548.42816	2.2
557.42139	3.8
571.43524	2.7
593.45514	2.1
608.39288	2.1
611.46716	41.5
629.47620	3.1
664.46680	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
60.87029	0.1
61.18983	0.1
67.05521	0.4
69.03440	1.8
69.07075	23.7
76.58342	0.1
85.02921	1.3
87.04485	1.4
88.44102	0.1
95.51616	0.1
97.02890	1.2
109.90367	0.1
115.03941	1.6
116.65559	0.1
126.59312	0.1
127.03976	0.3
131.04956	0.4
133.04956	1.5
133.05685	0.1
145.04974	0.2
157.02811	0.2
168.00574	1.1
169.01381	0.5
177.05455	0.2
183.02919	0.7
186.01620	0.3
213.05327	0.2
214.06317	0.2
241.04842	0.2
242.05734	0.5
253.04976	0.4
255.06644	0.2
257.08060	0.4
258.05099	0.4
269.04498	1.1
270.05252	6.2
271.05960	0.3
283.05759	0.2
285.03989	1.1
285.07632	1.4
286.04736	21.9
295.06012	0.9
297.03998	0.2
298.04724	5.7
299.05539	0.9
301.07080	32.0
302.07477	0.5
311.05588	0.3
312.06223	0.2
312.69373	0.2
313.07068	35.9
314.07480	0.6
325.07004	0.3
327.08710	0.2
337.10773	0.3
339.08679	0.2
354.10861	0.3
369.13348	100.0
370.13666	1.7
531.18622	2.6
633.00775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52271	0.4
57.07080	49.2
57.07478	1.4
58.56308	0.5
67.05470	1.3
70.81765	1.0
72.40924	0.4
77.03973	0.6
79.05479	0.6
81.07018	0.6
87.04438	1.1
91.05485	6.4
95.04915	0.9
95.08589	0.7
105.07056	2.3
107.08559	0.7
117.06981	1.1
119.08551	1.2
129.87080	0.5
132.09290	0.8
133.10155	0.6
147.10681	0.5
147.11696	7.0
152.06236	0.5
153.07018	3.0
228.09363	0.8
229.10170	1.0
233.03609	5.5
233.73109	0.4
246.33180	0.4
251.02170	1.0
251.04689	16.5
281.99933	0.5
288.91119	0.5
307.11075	2.4
309.06747	0.5
327.07813	100.0
328.08038	1.2
363.17511	0.6
383.14081	72.5
384.14471	1.1
439.20367	72.6
440.20898	1.2
495.26630	68.3
496.26834	1.2
551.32886	87.8
552.33002	2.0
607.39130	80.0
608.39618	2.9
650.30902	0.7
663.45361	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31763	6.8
55.05504	29.9
56.71876	6.1
57.03456	12.8
57.07067	21.6
59.79464	6.6
61.30142	6.6
67.05515	87.9
69.07085	34.4
71.08623	26.6
79.05500	81.6
81.07070	68.1
83.08631	17.0
86.16188	6.5
87.04476	98.2
91.05493	78.1
93.07050	84.9
95.04973	13.7
95.08613	73.1
97.06554	10.9
97.10165	11.4
97.67229	6.9
99.08098	19.0
105.07043	73.4
107.04959	10.9
107.08596	46.5
109.10178	20.1
115.66009	7.1
117.07042	30.5
118.46413	7.5
119.08578	43.4
121.10137	40.8
129.07065	10.3
131.08568	17.2
133.10155	42.8
135.11696	32.3
137.13231	7.3
143.08597	10.7
145.10097	30.3
147.11690	29.8
149.13234	12.6
151.11253	12.5
157.10130	9.6
159.11708	14.2
161.13269	20.9
163.11244	13.5
169.03470	6.9
171.11668	9.7
173.13278	8.5
175.14896	11.0
179.14362	61.3
185.13327	7.5
187.14720	9.3
187.38374	6.8
197.79254	7.1
229.60451	7.6
241.19568	23.3
252.84435	7.8
259.20685	23.2
263.32364	7.5
277.21619	52.0
305.27463	7.5
308.29617	7.8
315.23148	16.9
333.24265	59.7
335.25955	7.7
351.25409	54.5
364.54800	7.0
609.45239	100.0
662.45557	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	662.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45413	1.2
53.03945	3.6
55.01869	2.7
55.05515	14.8
57.03443	14.9
57.07068	1.6
59.04999	1.5
61.02922	3.8
65.28637	1.0
67.05509	36.3
69.03433	2.8
69.07072	13.8
71.01360	2.1
71.04996	5.0
71.52248	1.2
73.17741	1.1
77.03910	1.1
79.05497	34.9
81.03422	42.7
81.07060	26.0
82.81328	1.0
83.04986	12.7
83.08624	18.9
85.02907	14.3
85.06532	2.9
89.06019	1.4
91.05485	25.5
93.07047	44.1
95.04965	17.8
95.08618	10.8
97.02898	6.0
97.06539	11.3
97.10184	11.2
99.04465	1.2
99.08057	1.2
105.07028	14.7
107.04946	4.6
107.08598	24.3
109.06538	2.7
109.10180	5.9
111.04455	2.8
111.08099	7.8
111.11715	1.6
113.06027	1.1
117.07014	3.8
119.08586	18.4
121.06511	1.8
121.10158	8.9
123.08011	1.6
123.11742	2.8
125.05983	1.1
125.09656	2.0
127.03947	1.2
129.06989	7.7
131.08556	7.2
133.06526	1.4
133.08604	1.3
133.10147	9.8
135.11696	35.4
137.09662	2.5
144.30313	1.0
145.04857	1.1
145.10143	8.5
147.08022	2.0
147.11679	9.2
148.75601	1.0
149.09627	3.5
150.15157	1.1
151.11296	1.0
153.12711	1.1
157.10149	7.9
163.11201	4.6
165.12784	2.3
172.92900	1.1
175.11194	10.5
181.12218	9.2
193.12260	27.5
199.13339	1.5
211.13300	37.2
213.05414	1.2
229.14375	1.3
255.15916	88.3
260.98169	1.1
267.15915	24.9
285.16956	24.0
301.07108	2.2
421.25827	2.2
432.17587	2.6
442.15454	1.3
447.27420	58.6
448.27606	1.4
458.15137	2.4
465.28510	100.0
466.28729	1.8
472.16666	1.6
497.17557	1.6
498.18692	2.9
515.18915	1.1
525.17487	2.2
542.79840	1.1
557.20026	1.5
558.20245	1.4
598.20233	2.7
619.23706	5.5
620.24207	3.1
630.12866	2.0
630.22729	14.6
639.94678	1.2
662.25177	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14848	2.1
53.03946	9.5
53.12584	2.3
55.01887	5.1
55.05515	40.2
57.03439	23.0
57.07076	6.5
63.89258	2.1
65.03928	5.4
67.05510	93.6
69.07080	32.5
69.45947	18.8
71.05029	4.9
79.05498	79.6
81.07066	92.2
82.45030	2.6
83.04977	5.8
83.08639	20.7
85.06551	6.7
87.04474	23.2
91.05487	77.8
93.07050	88.2
95.04978	9.3
95.08617	61.9
97.06522	5.9
97.10193	14.1
99.08086	3.7
103.05477	4.7
105.04547	2.7
105.07043	63.9
105.07677	2.3
107.04967	4.6
107.08601	55.1
109.06534	11.0
109.10169	29.5
111.08105	6.5
111.11704	2.4
115.05386	2.4
117.07022	34.4
119.04847	2.2
119.08594	52.2
121.10156	34.7
123.08082	3.8
123.11713	6.5
125.09666	12.1
128.06247	2.9
129.07016	16.9
131.08572	31.4
133.10144	34.3
134.10400	2.3
135.08060	4.3
135.11699	18.6
137.09637	4.2
141.06926	6.5
142.66360	2.1
143.08575	17.2
144.69312	2.3
145.10143	40.2
147.11690	22.6
149.09634	9.4
149.13271	6.5
151.11183	2.3
155.08545	5.0
157.10162	14.8
159.08032	2.8
159.11699	28.6
159.12914	3.3
161.13298	10.0
163.11200	4.9
163.14825	3.7
165.66443	2.4
169.10175	6.2
170.12375	2.4
171.11720	7.2
173.11967	3.3
173.13191	12.5
175.11279	2.7
175.14828	5.4
177.12746	2.5
183.11696	8.2
185.13261	28.6
186.78127	2.8
187.14882	8.3
189.11258	5.7
197.13319	6.8
199.14786	4.2
201.16449	5.7
203.14346	12.0
211.14795	4.0
217.15785	3.1
219.17451	12.0
227.12819	25.2
229.19501	3.9
239.18037	14.8
257.19064	28.6
259.20554	3.5
261.22263	11.0
275.20102	47.4
275.22690	1.8
277.21603	6.5
290.17773	2.3
291.57047	2.2
317.24600	2.6
331.22647	7.5
333.24481	3.5
335.25851	100.0
349.19788	4.0
349.23773	51.1
425.38873	2.6
464.07523	2.4
489.35623	9.1
505.35159	7.3
513.40002	2.8
609.36414	3.5
609.45221	46.8
627.46143	4.9
644.46826	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	661.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44867	3.7
53.03948	7.0
54.68954	3.9
55.05505	13.2
57.03437	25.6
57.07078	5.3
57.80602	5.4
58.74436	4.0
58.90574	4.4
61.02647	6.8
61.02930	80.8
67.05508	42.5
69.03432	37.6
69.07075	20.3
70.83043	4.4
71.01345	4.7
71.04992	4.2
71.52340	8.3
72.11450	4.0
73.02922	28.0
79.05489	20.5
81.03422	25.2
81.07063	59.2
82.61070	4.4
83.04980	10.8
83.08616	14.8
85.02911	100.0
91.03957	56.7
91.05482	12.0
93.07058	26.9
95.08608	39.5
97.02898	77.2
97.06506	4.9
97.10197	6.2
99.03651	4.0
99.04440	13.4
101.02364	5.1
103.03945	8.7
105.07052	10.3
107.08604	13.6
109.02882	15.4
109.10146	14.2
111.04450	4.8
115.03882	10.5
119.08572	10.5
121.10115	13.0
123.11720	8.5
123.50426	4.0
127.03922	35.0
133.10147	9.4
135.11652	7.9
141.86372	4.2
145.04984	21.8
145.10095	6.7
149.13268	7.5
159.06610	4.8
161.13211	6.4
163.14757	4.9
175.14838	8.1
181.12167	4.2
183.06551	14.1
193.97427	4.1
201.05154	4.1
201.07594	9.9
201.16142	4.6
245.22581	13.7
263.23730	18.1
305.24896	5.4
317.24719	5.2
329.17624	5.2
337.27390	94.5
364.53186	5.2
365.26843	4.6
371.25717	5.9
463.30405	6.2
481.31573	16.5
582.81195	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	661.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65715	1.1
52.65995	1.1
54.96106	1.2
55.01862	1.4
55.05518	8.7
57.03435	2.4
57.07082	1.6
57.08432	1.2
59.05008	2.9
59.47538	1.1
60.13618	1.0
67.05510	7.7
69.06732	1.8
69.07075	21.4
70.07404	2.1
71.04993	1.6
71.37679	2.1
73.06534	1.5
77.84099	1.0
79.05495	7.8
81.03433	2.2
81.07066	15.3
81.61115	1.1
82.07399	1.6
83.05000	5.7
83.08609	2.1
85.02903	3.1
86.16491	1.0
87.04469	2.1
89.06040	19.5
90.06356	2.1
91.05479	4.0
93.07055	12.4
94.07384	1.4
95.08613	11.7
97.02858	1.9
97.06532	6.3
97.10177	6.1
98.10493	1.6
99.04459	1.6
102.76955	1.2
102.95499	1.3
105.07013	3.2
109.02916	1.6
109.10140	2.5
111.11748	2.5
112.12125	1.2
113.59651	1.2
119.08572	1.7
121.10154	15.0
122.10549	1.7
123.11684	1.8
127.03908	3.3
128.61090	1.0
133.08611	13.6
134.08969	2.0
135.11693	2.8
139.11192	30.4
140.11507	6.1
145.10187	1.3
149.09602	1.1
153.12721	1.2
155.08519	1.2
157.10194	1.6
157.12251	21.1
158.12657	4.2
177.11226	5.8
183.13841	8.6
195.57468	1.1
197.15335	2.9
215.16423	6.7
216.16844	2.2
269.08218	2.4
285.12305	1.6
286.04797	1.4
301.07156	1.6
371.22870	2.9
375.15631	1.6
401.16299	2.3
417.15656	1.9
429.15515	8.0
430.16885	2.1
431.17236	5.4
443.17609	1.7
444.18112	7.4
445.18909	1.9
454.16422	3.1
455.17233	3.6
456.18570	2.3
457.14264	12.5
464.18433	1.3
468.18311	1.5
469.19052	3.3
471.16290	6.8
472.17352	20.6
473.18005	3.9
482.15952	1.9
485.18201	1.4
486.15762	1.6
496.17590	1.6
497.18427	4.6
500.16769	3.1
501.17651	3.4
515.19305	4.3
517.21271	1.4
524.28265	1.3
531.22437	8.4
556.19330	2.1
559.21979	59.1
560.22595	3.3
577.23993	1.2
587.21533	4.8
597.19403	1.5
619.24036	85.5
620.24335	3.7
625.70148	1.2
629.22632	6.1
643.24323	1.6
661.25018	100.0
662.25336	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	661.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05511	0.9
57.03434	0.3
57.07077	0.2
59.05001	0.4
66.31276	0.1
67.05511	0.6
68.99811	0.2
69.03436	1.4
69.07074	0.7
70.61045	0.1
71.01344	0.2
71.05003	0.2
71.05853	0.2
71.06194	0.2
79.05506	0.3
81.03427	0.3
81.07053	0.5
83.08630	0.9
85.02913	1.5
87.00820	0.1
87.04467	0.9
89.06030	0.5
91.05482	0.4
93.07034	0.4
95.08618	0.5
97.02898	1.1
97.06525	0.3
97.10168	0.8
99.04453	0.1
105.07026	0.2
107.08598	0.4
109.02859	0.2
109.06544	0.1
109.10173	0.3
112.01601	0.2
115.03935	0.8
119.04209	0.1
119.04949	0.4
119.08547	0.3
121.10101	0.2
123.00793	0.1
123.08104	0.1
123.11649	0.2
127.00278	0.3
127.03930	0.3
128.06227	0.1
131.04933	0.2
131.08575	0.3
133.04991	0.8
133.08664	0.2
135.11664	0.2
137.02344	0.1
137.32278	0.1
141.07050	0.2
143.08551	0.2
144.05731	0.1
145.04979	0.3
145.06502	0.3
147.11584	0.1
151.07576	0.6
153.01759	0.2
153.06979	0.2
153.12564	0.1
155.03423	0.2
155.08554	0.2
156.09285	0.2
157.06453	0.2
157.10120	0.2
159.08073	0.2
165.06979	0.4
166.07700	0.1
168.00562	3.3
168.05766	0.1
169.01334	5.6
169.05089	0.2
169.06403	0.8
170.07317	0.3
171.08083	0.5
177.01846	0.2
177.09082	0.2
177.11230	0.2
183.02905	9.5
183.08075	2.1
184.08858	2.6
185.09645	0.8
186.01616	1.6
191.10736	0.3
194.02087	0.2
195.02904	0.4
205.12299	0.2
209.04417	0.2
211.07513	1.1
221.04488	0.3
259.06055	0.1
264.07645	0.2
268.03436	0.1
269.08081	0.4
270.05313	0.3
285.07776	0.2
286.04730	0.3
287.05823	0.2
291.06467	0.2
295.06155	0.2
297.07550	0.1
298.04584	0.2
301.07065	0.4
306.08923	0.3
307.09698	0.3
309.03949	0.3
309.07590	0.9
310.04715	2.4
310.08209	0.2
313.07169	0.5
316.05759	0.2
317.07965	0.2
319.06012	1.3
320.06677	0.1
323.09229	0.3
324.10074	0.3
325.07092	1.6
327.05020	0.2
333.07587	0.5
334.08438	1.9
335.09183	0.5
337.07080	14.2
338.07861	0.2
339.12277	0.3
349.10629	0.5
351.08719	2.3
352.09445	4.1
367.11792	100.0
368.12100	1.5
413.12369	1.0
473.83978	0.1
481.36722	0.2
529.17139	2.5
661.14337	0.4
661.30597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08467	0.8
55.05505	2.0
55.36805	0.9
57.07082	41.4
59.05008	15.0
67.05496	1.5
69.07063	2.9
69.25380	3.1
69.25803	4.7
71.08639	72.0
73.06561	4.6
79.77142	0.8
83.08625	1.4
85.10188	41.7
87.04477	13.4
89.06042	100.0
91.05518	1.1
91.40096	1.2
93.07050	1.5
103.07603	6.5
105.07020	1.3
107.07059	2.0
109.10207	0.9
117.09110	4.4
127.14824	4.7
130.08655	3.0
131.07051	4.9
133.08618	78.3
135.08099	0.9
137.10818	0.9
141.16339	0.9
157.10207	1.1
159.95828	0.9
175.09698	4.4
177.11238	33.4
185.19002	7.9
191.12895	1.0
219.12296	1.8
221.13872	7.4
229.21611	5.9
239.14920	1.5
265.16428	2.5
283.17639	1.5
309.19016	2.5
327.20184	2.2
353.21854	2.1
393.23483	1.0
394.77246	0.9
415.25131	2.0
459.28152	10.7
499.31149	1.9
587.22394	1.0
589.14740	1.0
594.77740	1.0
643.46295	2.8
660.49420	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	661.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05513	6.2
57.07077	1.7
59.05004	2.2
60.06104	0.6
62.41999	0.8
67.05504	1.8
68.99799	1.7
69.03431	3.3
69.07069	5.9
71.04963	0.9
71.08645	0.8
79.05494	2.6
80.05783	0.7
81.03413	1.4
81.06662	0.7
81.07050	4.3
83.04961	0.9
83.08619	6.8
85.02907	3.3
87.04469	0.9
89.06011	4.1
91.05450	1.4
93.07060	2.5
95.04970	0.7
95.08625	3.7
97.02885	0.8
97.06553	2.0
97.10168	7.2
103.03952	1.6
105.07027	1.4
107.08617	1.3
107.15446	0.6
109.06516	0.7
109.10191	1.9
111.11726	1.6
119.08602	1.4
120.19822	0.6
121.10178	2.0
123.11674	1.1
125.02352	1.3
127.03883	1.0
133.08644	1.8
133.10114	1.4
135.11690	0.9
139.00301	0.8
139.11206	1.9
145.04884	0.6
153.01799	3.1
157.12282	1.1
165.01913	0.8
168.00574	2.8
169.01358	2.5
175.14821	0.8
177.11310	0.8
183.02896	8.9
183.13861	0.8
185.00774	0.7
186.01645	2.4
195.02911	0.9
195.12341	1.0
213.09235	0.8
221.04347	1.0
223.79918	0.7
237.05489	2.3
246.05318	0.8
252.04268	1.1
253.05234	0.8
263.03503	1.1
265.05026	1.3
266.05661	1.2
269.08084	8.1
275.06931	0.8
285.04028	0.8
289.04767	0.8
302.05740	0.9
305.04593	0.7
306.05417	0.8
327.05243	1.2
330.05426	0.8
331.05780	1.2
346.04691	1.0
347.05627	1.4
358.04849	1.4
359.05493	1.0
362.04126	0.8
367.12177	1.1
372.06488	0.9
374.04239	0.7
375.05011	0.9
376.05899	1.4
386.04141	1.2
387.05139	1.6
390.03647	0.8
400.05725	1.0
402.04034	1.2
403.04465	3.2
404.05414	2.0
405.06189	1.2
412.05853	0.8
413.12061	3.6
415.04648	0.9
416.05295	1.1
418.02628	1.3
418.07388	1.1
419.07681	1.4
427.04700	0.7
429.06345	1.3
431.03674	0.9
432.04794	1.1
433.05545	5.6
445.05750	1.3
446.06015	0.9
447.07117	2.1
453.06586	0.8
455.03754	0.9
463.35867	1.4
473.05237	1.1
478.06485	0.9
481.37448	1.5
497.04987	1.7
525.04596	2.0
526.05249	0.8
527.06647	0.9
540.06622	1.9
543.05652	1.0
550.05341	1.0
553.04095	3.0
568.06311	2.1
571.04791	1.9
572.06207	1.2
578.04663	1.1
581.03662	1.7
583.08710	2.5
596.06207	2.3
597.23120	0.9
599.04791	1.8
601.09497	1.2
611.08350	5.4
614.06836	1.1
629.09277	100.0
630.09613	2.6
661.11694	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	659.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08787	1.9
55.05510	4.0
57.03440	4.6
57.07081	100.0
58.04222	8.1
59.05006	33.0
67.05499	4.8
69.07079	6.4
69.66706	3.8
69.67113	8.0
71.08636	74.5
72.05778	7.6
73.02917	3.5
73.06561	14.4
79.05489	4.3
81.07070	6.3
83.08640	3.7
85.10188	57.6
87.04487	11.4
87.08141	4.3
87.08617	1.8
89.06045	19.9
90.01924	28.7
91.05470	3.7
93.07059	3.5
95.08611	5.0
97.10201	3.7
99.11749	11.0
101.06036	3.4
103.07597	5.7
105.07031	2.5
107.08626	3.8
113.13329	4.7
115.07609	2.8
116.08354	2.6
117.09113	12.6
122.79645	1.8
123.11692	2.3
129.09206	1.8
131.07114	2.1
133.08624	7.6
133.10138	2.0
138.48061	1.7
142.57959	1.7
152.15677	2.3
154.01924	1.8
155.17966	6.3
161.11726	4.0
165.16554	2.2
169.15765	2.1
177.11304	3.2
178.07146	5.1
183.17426	3.1
212.21495	2.6
213.22156	10.6
222.09747	7.4
222.17003	2.1
229.59795	1.7
254.24689	1.9
266.12387	4.3
266.19781	3.6
267.18134	3.2
271.26398	7.2
282.19128	3.3
296.20670	5.8
312.20047	5.0
324.23773	2.5
370.24356	1.9
372.18823	4.1
376.33966	2.3
420.36987	5.7
433.05432	2.0
464.39835	2.8
508.42072	13.4
568.43921	3.7
659.46606	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	660.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.7
53.03936	4.3
55.01889	4.7
55.05513	16.4
57.03447	14.0
57.07055	2.3
59.04993	4.8
61.02925	4.3
62.84009	2.0
67.05512	31.1
67.05849	4.2
69.03423	3.7
69.07084	10.8
70.06548	2.3
71.04985	4.9
71.52216	3.4
72.83832	1.9
79.05496	32.8
81.03436	10.0
81.07061	24.9
83.01337	5.3
83.05008	9.6
83.08617	10.3
85.02888	8.3
85.06535	2.1
88.77663	2.1
89.06032	4.7
91.05488	18.4
93.06505	2.6
93.07058	38.1
95.04947	6.5
95.08600	8.4
97.02888	5.4
97.06516	11.0
97.10172	8.7
99.04456	3.0
99.08086	2.8
105.07034	10.2
107.04939	7.7
107.08607	26.0
109.02858	2.9
109.06464	4.0
109.10150	6.1
117.07011	6.2
119.08580	11.2
121.10124	7.1
123.08081	4.9
125.09598	2.3
127.03899	5.5
131.08606	3.4
133.08614	2.9
133.10107	5.2
135.08061	2.5
135.11700	34.1
145.10133	12.5
149.13179	2.4
153.12704	4.8
159.11757	2.3
163.11252	15.7
180.58302	2.7
181.12248	8.8
209.11641	2.8
227.12766	3.1
255.15938	49.0
269.17538	4.0
283.15411	37.2
302.26154	2.2
343.19989	2.2
445.25415	3.7
463.26651	100.0
628.09998	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	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01868	1.0
55.05517	6.2
57.03429	4.1
57.07062	1.4
59.04997	0.9
61.02911	2.0
65.03933	1.0
65.92956	0.5
67.05508	25.1
69.03419	1.1
69.07074	10.0
69.35005	0.5
70.77090	1.5
71.04983	1.8
73.02930	0.7
75.52234	0.4
79.05496	14.0
81.03425	1.8
81.07059	32.8
83.04975	2.0
83.08159	0.6
83.08620	8.4
85.02909	3.0
85.06532	1.7
87.04520	0.6
89.06016	1.5
91.03969	0.7
91.05480	10.5
93.07049	20.1
95.04963	2.5
95.08613	8.7
97.02896	1.0
97.06529	4.5
97.10155	1.9
99.08099	0.9
105.07024	5.0
107.04993	0.7
107.08605	13.1
109.02795	0.5
109.06522	1.7
109.10148	2.3
111.08080	3.0
117.07021	5.1
119.08575	3.2
121.06492	1.5
121.10149	6.5
123.11708	1.9
127.03900	0.8
129.07014	1.5
131.08575	5.9
133.08606	0.9
133.10117	6.8
135.08058	1.4
135.11696	4.5
139.11177	0.6
143.08549	1.5
145.10133	2.2
147.11681	1.1
149.09625	0.5
149.13266	10.4
150.17883	0.5
155.08588	0.8
157.10173	1.2
159.11719	5.0
169.10091	0.6
176.92445	0.5
177.11357	0.7
177.12769	1.9
183.11708	0.6
195.13773	5.5
209.13353	0.6
213.14891	0.9
229.14304	0.9
251.16394	1.7
269.17480	25.4
335.23636	0.6
353.24792	1.4
371.25674	1.5
389.26898	0.9
445.29489	13.1
463.30569	100.0
464.30865	2.1
481.31586	0.9
607.34747	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	660.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01878	2.6
55.05515	18.4
57.03442	7.8
57.07077	5.2
59.05009	8.4
59.24584	1.2
67.05512	27.2
69.03435	3.8
69.07076	76.3
69.33707	6.1
69.34116	3.9
70.06599	2.6
71.05002	8.4
73.02929	2.4
73.06562	5.2
79.05499	23.1
81.03435	2.2
81.07063	29.1
83.04996	5.3
83.08627	18.1
85.02914	3.7
85.06533	5.7
85.61377	1.2
87.04475	17.9
87.08110	3.2
89.06040	100.0
91.05479	13.2
92.02467	1.3
93.07053	36.5
95.04983	4.8
95.08617	28.0
96.08183	1.2
97.02937	2.2
97.06548	30.9
97.10158	3.3
99.04455	4.4
101.06013	2.5
103.07571	3.7
105.07034	5.7
107.07112	1.8
107.08606	31.8
109.02850	1.3
109.06506	1.7
109.10178	15.1
110.09707	2.1
111.08093	9.1
111.11705	9.1
113.06010	1.5
115.07583	1.3
116.07119	3.7
117.09117	3.4
119.08614	3.3
121.10167	6.1
125.13351	1.3
130.08650	2.8
130.35568	1.1
131.07074	5.6
133.08617	81.0
133.10098	13.2
135.11708	71.7
138.09029	1.3
139.11192	10.2
145.10242	1.3
147.11702	1.7
149.13300	1.3
153.12761	77.4
154.13020	1.3
157.12233	7.0
161.09613	2.8
166.08638	2.7
171.13826	58.1
174.44690	1.3
175.09694	5.1
175.11116	1.7
176.65018	1.2
177.11237	38.4
183.13892	4.3
184.07341	1.3
186.62746	1.1
197.15392	88.7
211.16875	1.5
213.14903	3.3
215.16452	17.1
219.12389	1.8
221.13835	7.4
226.10587	1.9
229.17995	3.0
238.18433	1.4
239.11836	1.5
239.15057	1.5
241.17990	2.4
252.12170	1.7
253.14392	3.8
255.19632	7.8
259.19095	3.9
265.16495	2.2
273.20721	2.9
283.17599	1.8
285.17102	2.7
299.13901	2.1
301.07120	4.2
302.07584	3.0
303.21942	1.2
312.14163	1.6
313.15378	1.7
314.15695	1.4
324.14407	2.4
327.20242	4.4
341.14853	3.4
342.15366	4.5
371.22546	4.0
374.17877	1.3
386.17661	1.8
391.27026	1.8
415.25363	17.8
445.25714	1.6
447.21030	1.5
455.28500	2.5
457.14844	1.8
463.26489	15.5
472.17529	2.9
475.20468	1.6
495.23111	7.5
507.23291	7.8
531.22076	1.6
559.21942	7.1
567.37305	3.6
619.24127	10.0
625.41547	3.5
626.55847	1.5
643.42072	3.4
660.45337	9.3
661.24994	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2349
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
58.24110	1.1
60.01926	1.1
61.62575	0.9
67.05502	1.0
68.58926	1.2
69.07050	1.3
71.52356	1.1
79.05509	2.0
80.57784	1.1
81.07041	2.8
85.02952	1.2
89.06030	0.9
91.05474	1.0
93.07049	1.5
95.08615	1.3
97.58174	1.0
97.90753	1.2
105.07056	1.6
107.04913	1.4
107.08594	1.3
109.10164	1.2
143.58327	1.1
149.22054	0.9
152.13818	1.0
152.33647	1.0
207.02917	2.1
227.81709	0.9
384.12527	1.3
385.13367	1.6
386.13657	1.4
398.14334	1.0
399.14496	3.7
400.15384	5.7
410.14395	1.2
412.15411	1.8
413.15878	3.9
414.16711	3.1
421.12845	1.2
422.13815	3.4
423.14426	4.6
424.15576	2.3
426.17172	2.4
427.17929	1.8
428.18286	2.2
429.18829	2.4
435.14569	2.4
436.15405	4.9
437.16394	8.3
438.16629	1.2
441.15207	2.1
442.16681	1.4
444.62637	1.2
449.16321	1.3
450.16888	3.9
451.18365	4.8
452.18597	2.1
455.17184	2.3
456.17740	2.5
461.15732	1.0
464.14847	2.4
465.15112	2.4
467.17288	2.3
469.15076	2.1
478.16348	3.0
479.16745	3.0
480.17789	3.9
481.14999	2.2
482.15906	2.4
483.16541	5.4
484.16946	3.1
493.19101	6.8
494.15186	1.9
495.16592	5.8
496.17456	2.3
497.14307	1.8
498.15302	2.8
507.16940	2.6
508.17468	5.0
509.17639	3.7
510.14297	1.3
511.15085	5.4
512.16644	11.9
521.18298	10.2
522.14386	4.9
524.16779	1.9
525.18347	3.3
533.17542	1.4
535.16064	2.6
539.19360	8.9
540.19385	6.2
543.22510	2.2
551.19257	4.5
553.21527	10.1
561.37109	1.6
571.22021	6.6
572.22388	6.8
581.20355	40.3
585.23486	2.3
595.18268	2.6
599.21008	23.1
600.21747	7.0
609.19501	1.6
613.23022	19.6
622.22864	4.6
627.20966	17.1
631.23724	4.0
641.22510	100.0
642.22723	3.9
659.23370	31.1
660.23291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2352
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
62.91746	0.5
67.05526	0.9
79.05504	0.8
81.07045	0.7
91.05479	1.0
93.07052	1.0
95.08646	0.5
95.94314	0.5
98.20709	0.9
101.29793	0.4
102.85660	0.4
103.09845	0.4
105.07063	0.7
112.07385	0.4
258.23618	0.5
335.25571	0.5
385.13034	1.6
399.14493	2.3
400.15466	4.5
401.15677	0.7
408.12198	0.8
409.13470	0.5
410.14255	0.9
412.15335	1.0
413.16052	1.6
414.17065	3.1
415.17493	0.8
421.13101	2.6
422.13821	5.0
423.14731	5.3
424.15704	2.0
425.16257	1.0
427.18137	0.8
428.18314	0.8
429.19797	2.3
435.14713	3.1
436.15469	4.5
437.16318	9.9
438.17676	2.3
439.17889	1.6
441.15726	1.6
449.16196	1.8
450.17502	3.1
451.18488	5.4
452.18469	2.5
454.16885	0.6
455.17279	2.0
456.17841	1.3
457.17593	0.7
461.15567	0.6
463.14145	1.4
464.14322	2.9
465.15543	3.4
465.19812	2.4
466.15942	1.0
466.21042	1.0
467.17615	3.0
468.13382	0.7
469.14551	2.6
470.15967	0.8
477.15457	0.9
478.16425	3.2
479.17633	4.4
480.18430	4.7
481.15292	0.9
481.18939	0.8
482.15869	1.9
483.16498	2.8
484.17133	3.0
492.14536	0.5
493.19217	9.6
494.15994	2.2
494.20236	1.5
495.16287	5.2
496.17361	1.8
497.18176	0.6
498.15161	3.1
506.15976	1.0
507.16861	2.6
508.17523	8.2
509.18454	5.5
510.15414	0.8
510.19049	0.7
511.19800	1.6
512.16602	7.3
513.17444	0.6
515.19238	0.6
516.23700	1.2
520.18036	0.6
521.18274	12.3
522.15912	4.9
525.20996	1.5
526.15381	1.6
538.18475	0.9
539.19263	2.9
540.20050	2.6
543.22540	2.0
549.18079	1.7
553.20905	16.3
571.21753	2.3
572.22473	3.7
581.20361	50.3
582.20404	1.6
594.23358	0.8
598.20715	0.7
599.21112	14.2
600.21503	3.7
609.19708	1.4
613.22955	14.5
622.23151	3.9
627.20850	1.4
631.24164	3.9
641.22491	100.0
642.23047	3.2
659.23425	28.5
660.23578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01870	0.8
57.03422	0.7
61.02923	0.8
68.99796	1.4
69.03093	0.2
69.03438	3.6
71.01342	0.2
71.05001	0.8
71.51395	0.2
72.68654	0.2
73.02927	0.9
81.03426	6.6
83.01376	0.2
83.04974	0.4
85.02911	6.1
85.22694	0.2
87.00826	1.6
91.03973	0.2
91.05488	0.3
91.97984	0.2
95.01373	0.2
95.04948	0.3
97.02900	4.1
97.06549	0.3
99.04456	1.8
103.03947	0.4
105.01862	0.8
109.02886	10.8
111.04458	0.7
113.02354	0.2
113.04247	0.2
115.03922	0.3
115.05466	0.3
119.04960	0.2
123.04452	0.2
125.02344	0.3
127.03925	100.0
128.04272	0.3
129.01869	1.0
133.02916	0.3
137.02362	0.2
137.05995	0.5
141.01828	2.4
141.05487	0.5
141.06454	0.2
145.04965	1.9
147.02881	0.5
147.04420	0.5
151.03908	0.3
159.02892	1.0
161.05963	0.3
163.03943	0.3
165.05513	0.4
167.03488	0.3
171.02937	0.2
175.03830	0.2
175.07565	0.2
176.50900	0.2
177.04076	0.2
177.05435	0.9
189.03951	0.5
189.05580	0.3
193.04855	0.2
195.02882	0.3
201.03992	0.3
203.07100	0.7
207.06575	0.9
213.03926	1.2
217.04947	0.2
219.06685	0.2
231.05002	1.2
231.06645	0.8
245.08127	0.2
249.07591	0.7
254.99750	0.2
255.06680	0.2
273.05991	0.4
285.06186	0.5
303.07214	0.4
315.07785	0.2
321.06082	0.2
333.08334	0.4
339.07230	0.4
357.08234	1.0
369.88480	0.2
375.09344	0.9
442.10593	0.2
479.12006	0.2
519.13770	0.2
633.15369	0.2
659.25720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.03459	1.0
57.07079	100.0
59.05005	23.1
62.55839	0.7
67.05494	0.8
68.84026	0.6
69.07083	1.6
71.08636	72.1
73.06580	1.5
83.08633	1.8
85.10187	62.1
87.04476	6.9
89.06036	59.1
97.10191	2.4
98.21562	2.0
99.11736	12.0
101.06028	0.9
101.09688	2.0
103.07597	0.7
113.13303	4.1
117.09151	5.5
129.09283	0.7
130.08723	1.0
131.07069	2.7
133.08611	44.2
147.10255	1.2
155.17963	10.8
175.09686	3.2
177.11234	22.5
191.12840	0.7
213.22130	20.3
219.12419	1.1
221.13860	4.3
239.15088	1.4
254.24812	1.1
265.16623	2.6
271.26355	8.8
283.17651	1.8
307.17322	0.6
309.19235	0.8
327.20352	1.8
353.21848	2.4
371.22836	15.8
411.26031	3.3
429.27148	2.4
446.33014	0.9
459.28290	2.5
469.30429	0.9
641.48541	1.4
658.51013	6.8
666.88672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03277	0.3
55.01867	0.4
55.05516	0.6
55.46593	0.3
57.03445	0.4
67.05508	1.0
68.99796	0.7
69.03428	0.8
69.07064	0.8
69.44129	1.3
69.44536	0.9
71.01353	0.4
71.04987	0.4
79.05488	0.9
81.03413	0.5
81.07056	1.6
83.05003	0.5
85.02923	1.3
87.04427	0.3
91.05490	0.9
93.07053	1.2
95.04980	0.8
95.08618	1.2
97.02893	0.8
97.06523	0.7
99.04471	0.9
105.03403	0.6
105.07042	1.2
107.04974	1.4
107.08600	1.2
109.02891	1.2
109.06570	0.5
109.10173	1.0
111.04446	0.7
113.02411	0.4
115.03948	0.4
117.03352	0.4
118.04237	0.3
119.04935	0.6
119.08617	1.1
119.09964	0.3
121.02882	3.1
121.06550	0.5
121.10190	0.8
123.08088	0.3
123.11742	0.3
127.03924	1.6
131.08597	0.4
133.02878	1.6
133.06444	0.4
133.10149	0.6
134.03685	0.4
135.04428	0.5
135.11774	0.4
136.07623	0.6
137.05956	0.6
139.11029	0.3
145.02892	0.9
145.10165	0.4
147.04434	1.2
147.11693	0.5
151.07484	0.6
153.01891	0.6
161.09618	0.3
165.01839	0.4
165.09103	0.6
167.03394	0.5
167.07079	1.0
169.01349	1.2
173.13312	0.4
175.03975	0.5
177.05495	2.0
179.11893	0.7
181.04976	2.0
181.08536	0.4
183.02884	2.9
183.04320	0.3
191.14391	0.4
197.00809	1.4
197.04468	1.3
197.12894	3.3
197.27924	0.3
201.05453	0.4
211.02438	1.1
212.03171	0.7
213.04012	0.9
215.01947	0.7
215.14037	0.7
226.02650	0.4
227.03513	0.6
227.05389	2.0
229.03392	0.5
230.04301	0.6
235.09622	0.5
241.05051	0.4
244.03717	0.4
255.03110	0.6
256.03802	0.5
257.04541	0.4
257.15332	0.4
268.03717	0.4
269.04486	0.7
279.06625	0.4
285.04190	0.6
285.07495	0.5
286.04739	3.5
287.05472	0.6
289.08408	0.4
297.03992	1.3
301.03864	0.7
301.07013	3.7
303.06638	0.4
309.04022	0.4
309.07507	0.5
311.05591	0.5
319.06238	0.7
320.06833	0.5
323.05441	0.5
323.15955	0.7
325.03421	0.5
326.04437	0.5
327.06238	0.5
331.05704	0.4
340.05771	2.3
341.06689	0.6
341.17343	0.4
343.06085	1.3
344.06824	0.9
345.07068	0.4
345.10211	0.4
347.05573	0.8
355.08243	0.9
356.08966	0.7
360.06433	1.4
361.07202	2.7
362.08005	0.4
367.08200	0.4
371.05353	0.6
372.06296	0.6
373.07053	2.6
375.05063	0.9
376.05725	2.3
385.07120	0.7
386.07916	1.2
387.09058	0.8
388.05661	0.6
389.06628	10.5
390.07346	1.8
391.08612	0.5
396.06155	0.4
400.05661	0.5
401.06696	0.9
402.07626	0.5
403.08600	0.7
403.14056	0.6
404.05118	5.3
405.06122	1.0
413.06985	0.4
414.07297	1.9
415.08566	1.6
415.13345	0.4
416.05191	0.5
417.06213	2.4
418.06848	7.5
419.07581	12.6
423.04175	0.4
425.06729	0.6
432.08469	3.5
433.09320	1.6
438.07584	0.4
445.05292	0.4
467.06918	0.7
479.02136	0.4
495.06769	1.0
509.07639	0.7
521.08679	0.4
523.06268	0.6
527.09937	0.9
537.08282	0.9
551.06244	0.4
553.11139	0.6
555.09174	1.7
565.07739	0.7
573.10376	0.6
581.10620	0.7
583.09100	2.0
597.07104	0.6
601.09851	0.9
611.08252	3.4
613.11615	0.6
627.11102	0.4
629.09058	4.6
641.13098	5.5
644.11835	0.9
659.13953	100.0
660.14343	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06463	0.8
59.05013	1.0
69.15706	4.8
69.16136	3.5
83.50087	0.9
84.57140	0.9
88.92966	0.8
113.05128	0.8
120.08140	0.8
126.07038	0.8
146.09557	1.2
176.09419	0.9
221.10832	1.2
223.12256	1.7
235.12227	1.0
237.13843	1.4
247.12430	1.4
249.13950	1.0
259.12314	1.3
260.13242	0.9
261.13858	2.0
273.13776	2.3
276.14923	1.1
290.16763	0.9
301.16177	0.9
314.16400	1.4
316.14435	1.6
318.15878	1.2
327.34787	0.9
340.18268	1.1
352.18106	1.3
363.16055	2.0
364.17645	1.6
365.17816	1.8
366.19235	1.6
376.17447	1.0
377.17688	2.4
378.19083	1.2
379.19269	2.9
381.20663	1.3
390.18695	1.9
391.19214	3.3
392.21100	1.9
393.21097	1.5
394.17816	2.3
395.18280	1.0
403.19128	1.2
405.21082	2.0
406.21841	2.0
407.18570	3.5
407.22864	2.0
408.19357	3.7
409.20203	5.1
417.17520	1.3
419.18002	1.3
420.19284	1.2
421.19620	4.7
422.21173	4.6
423.21841	16.7
424.22305	1.3
431.18921	1.1
433.20126	2.1
434.21030	1.3
435.22052	7.6
436.22391	3.2
437.23370	3.2
439.25275	1.1
442.21298	1.0
446.13086	1.1
446.21280	1.8
447.22070	1.6
448.22031	1.7
449.18842	1.3
449.24060	1.9
450.24017	2.5
451.21118	6.2
454.19965	3.3
456.22690	2.0
461.23721	7.7
462.20615	1.4
463.21140	3.3
464.22037	2.0
465.23502	4.6
466.24890	1.6
467.24332	3.8
468.25043	3.2
476.22394	1.1
477.23093	6.3
478.23547	3.5
479.25195	5.6
480.23483	1.2
481.22296	2.9
482.22583	1.1
490.20255	1.2
491.20953	1.0
493.21365	5.2
494.26248	5.2
495.23471	10.6
496.24960	5.0
505.22150	1.9
508.24808	15.1
509.25818	13.3
510.26456	8.0
511.27414	13.0
516.24805	1.2
519.23901	1.2
521.25244	3.4
522.25818	2.9
523.23444	6.1
524.24200	1.7
525.28223	1.4
526.28857	1.5
537.25232	16.4
538.25916	8.7
539.25812	1.3
549.24908	1.4
551.23132	2.1
553.28687	6.6
555.25702	1.7
563.26141	1.5
565.24176	3.0
570.28400	4.2
581.27570	19.4
583.25458	5.1
597.27087	39.3
598.27600	5.9
607.24957	1.7
613.30249	70.1
614.30115	1.9
625.26575	100.0
626.26257	2.8
639.27393	1.0
657.29285	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	658.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05034	0.3
57.07080	5.9
58.06602	1.7
65.03934	0.7
67.05500	0.3
68.05024	0.6
69.07077	0.4
69.85211	0.3
69.85618	0.7
70.06598	16.0
71.08649	2.1
71.17094	0.2
72.08139	0.5
74.06073	0.2
77.74976	0.2
81.07053	0.4
83.08604	0.3
85.10175	0.9
88.07636	19.2
91.05483	0.3
93.07040	0.2
102.09186	14.5
105.03380	0.4
107.08632	0.3
131.04944	0.5
133.02774	0.2
135.33052	0.2
139.03870	0.3
146.08163	0.6
146.11815	0.3
147.04413	0.6
149.02354	33.2
149.09526	0.2
149.13264	0.3
167.14313	0.3
174.06737	0.2
175.03917	1.1
177.05492	0.9
185.15269	0.4
191.07036	0.3
193.04973	43.3
194.05307	0.4
203.41612	0.2
212.23798	0.7
219.06523	0.9
225.05505	0.8
237.07587	12.5
256.26361	40.5
257.26700	0.5
269.04422	1.6
297.04031	1.9
300.29031	0.8
313.07135	2.5
341.06564	9.3
343.08261	0.7
359.07651	6.5
385.09192	18.4
403.10208	0.4
404.53934	0.2
429.11826	24.9
497.12610	0.2
580.25745	0.3
640.34943	1.1
658.35925	100.0
659.36121	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	1.3
59.04998	5.1
71.25465	2.2
81.07046	1.3
83.20712	1.2
83.33321	1.3
95.08691	1.1
179.08556	1.3
212.08627	1.3
258.15833	1.0
403.19354	1.2
404.19775	2.2
412.16791	1.2
413.17886	1.6
419.22470	1.2
425.18015	1.5
426.19073	1.6
427.19492	2.5
435.13745	1.2
441.19348	3.4
449.15826	3.0
455.20486	2.1
457.24048	1.3
463.16785	2.4
464.17426	1.5
477.18542	3.1
478.19000	1.4
479.16388	1.3
483.21884	2.4
492.20853	3.4
493.17828	6.3
506.19122	2.6
509.17340	1.6
511.20340	1.3
515.23865	1.5
519.19586	9.9
520.16840	2.2
533.17651	3.5
537.20258	2.8
547.18683	2.4
548.19910	1.3
551.22253	4.3
563.22125	2.4
569.23169	1.9
579.21600	36.2
607.20959	11.5
639.23724	100.0
640.24323	3.0
657.24768	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73325	0.5
57.07090	3.1
59.04997	1.9
60.05640	0.9
63.59052	0.6
65.28354	0.6
67.05494	0.6
69.24569	5.8
69.24859	0.5
71.08637	3.2
85.09692	0.6
85.10164	2.9
89.06019	0.6
108.50041	0.5
119.08561	0.6
120.65283	0.6
130.06650	0.6
130.57622	0.5
144.08083	1.0
146.09653	0.8
190.72839	0.6
197.10802	1.0
200.76442	0.6
209.10733	1.4
210.11497	0.7
211.12373	1.1
221.10722	1.1
223.12334	1.3
224.13197	0.7
233.10725	0.8
234.11426	0.8
235.12340	1.4
237.13885	1.3
238.14809	0.7
247.12315	2.0
249.13974	1.6
257.24673	0.7
259.12445	0.8
261.13947	1.6
263.12042	0.8
263.15271	0.9
271.12234	0.7
273.13943	0.8
274.13440	0.7
275.15359	1.3
277.13480	0.7
288.16165	1.9
295.14664	0.7
299.14728	1.0
300.11548	0.9
300.14978	0.8
302.13248	0.6
302.16574	0.9
303.13663	0.9
306.28186	0.6
310.13470	0.8
314.13022	0.8
314.16473	1.3
318.15994	0.9
320.17651	0.7
324.14828	0.7
336.15048	1.1
338.16443	1.1
340.18115	1.4
344.17737	0.7
350.16586	0.9
352.17960	1.7
353.19028	0.6
354.19647	1.2
355.20474	0.7
362.16153	1.0
363.15829	1.6
364.17691	1.3
365.17957	2.4
366.19077	2.0
367.19812	0.7
375.16592	1.2
376.17520	2.0
377.17953	2.8
378.19409	2.0
379.15347	0.8
379.19507	5.2
380.20059	2.2
381.20895	1.7
389.17819	1.6
390.19281	1.3
391.19464	4.4
392.20264	2.3
393.16476	2.9
393.20978	2.6
394.17899	1.0
395.18579	1.8
395.22766	1.3
403.19489	1.0
405.21259	2.9
406.21729	2.1
407.17731	3.2
407.22491	3.1
408.19406	3.7
409.20255	6.1
417.16812	1.3
418.18304	1.1
419.18707	1.8
419.23148	1.3
421.19714	5.9
421.24899	1.6
422.21417	3.8
423.21930	17.5
424.22495	1.2
428.23883	0.7
433.19870	1.5
435.22076	7.7
436.23044	5.1
437.23911	4.8
438.23889	0.7
442.21381	1.4
443.22208	0.9
444.22623	0.7
446.13336	1.0
446.21112	2.1
447.22485	1.3
448.22021	0.6
449.18851	1.3
449.23541	3.3
450.24283	2.4
451.20944	4.9
452.22702	0.8
453.23285	0.8
454.20026	3.7
456.22739	1.7
461.23676	6.7
462.20670	1.9
463.21292	3.7
464.21988	2.6
465.23322	4.5
466.23361	2.1
467.25040	3.9
468.25528	2.7
476.22638	1.2
477.23288	4.7
478.24203	3.3
479.25220	5.8
480.21600	1.0
481.21964	3.2
482.23315	1.2
488.22174	0.6
491.20901	1.7
492.22028	0.9
493.21371	7.0
494.27127	5.2
495.23575	11.7
496.24838	4.3
497.25275	0.9
505.22769	1.1
506.23190	0.9
507.23859	2.1
508.24817	13.1
509.25784	13.3
510.26437	10.9
511.27368	11.5
516.25165	1.3
519.24133	2.0
521.25458	4.1
522.26660	3.3
523.23169	4.0
525.28137	1.9
526.29108	1.2
537.25104	17.2
538.25970	7.5
539.26276	1.1
549.24658	1.3
551.22668	1.2
553.28546	6.7
555.26331	1.4
565.24402	3.3
566.25549	1.3
570.28143	2.9
581.27673	17.9
582.25269	1.1
583.25488	5.7
593.24420	0.7
595.29218	1.1
596.27496	0.8
597.27136	40.4
598.28131	5.2
607.25720	1.8
613.30255	60.4
614.30377	1.7
625.26593	100.0
626.26807	2.5
657.29260	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	657.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.93999	0.3
55.01870	0.4
55.05517	0.7
57.03444	0.6
63.24376	0.3
65.03941	1.1
65.05380	0.3
67.05511	1.6
68.99802	0.3
69.03429	1.5
69.07073	0.9
71.04993	0.6
71.25024	0.5
79.05499	0.7
81.03427	4.0
81.07053	1.7
83.04989	0.5
83.08624	0.6
85.02917	1.7
86.09709	0.4
87.39130	0.2
90.44054	0.2
91.05474	1.2
93.03411	0.8
93.07047	1.5
95.04964	0.7
95.08636	1.6
97.02912	1.6
97.06521	0.6
97.10162	0.3
105.07039	0.9
107.04960	0.4
107.08620	1.0
108.02107	0.8
109.02875	1.6
109.06561	0.5
109.10173	0.8
111.04460	1.7
117.03410	0.3
118.04230	0.4
119.04946	0.7
119.08591	0.8
119.78197	0.3
121.02901	0.5
121.06504	0.4
121.10188	0.7
122.10275	0.3
123.11723	0.6
125.05997	2.1
127.03922	1.1
129.06976	0.3
131.08569	0.6
132.08931	0.3
133.10135	0.8
135.11720	0.6
137.05977	0.5
137.13275	0.3
139.07552	0.3
141.05498	0.6
145.02849	0.6
145.06584	0.3
145.10138	0.4
147.04457	0.6
147.11635	0.5
149.06023	0.3
149.09660	0.6
151.03917	41.5
151.05014	3.2
152.04404	0.3
153.01874	0.3
157.10103	0.4
165.09187	0.4
167.07158	0.5
169.01314	0.9
169.04961	4.7
169.71667	0.3
177.05478	1.3
207.06575	0.6
241.04988	0.5
246.58766	0.3
257.04523	0.5
266.05737	0.3
267.16077	0.7
268.16324	0.3
269.04523	2.3
271.06006	0.6
272.03168	2.6
283.06143	2.3
284.06876	0.8
284.56567	0.3
285.03888	0.5
285.17148	0.3
286.04764	1.1
287.05478	5.0
295.08252	2.6
297.03958	13.2
298.04517	0.4
299.05649	0.6
300.02576	0.7
301.07043	2.0
306.45578	0.3
311.05585	1.3
312.06271	3.7
313.09366	1.8
315.04996	45.2
316.05402	0.7
329.06720	0.4
330.03265	0.5
330.04129	0.2
330.07318	11.4
345.09705	100.0
346.10089	1.3
375.10916	0.7
395.76373	0.3
409.25653	0.4
410.70163	0.3
562.61151	0.3
644.12946	0.3
657.31250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01875	1.4
55.05511	1.8
57.03448	1.0
61.02930	3.1
65.03938	1.1
67.05501	2.4
68.76569	0.6
69.03419	2.5
69.07060	2.5
70.06591	1.1
71.04996	1.0
73.02913	4.1
79.05495	3.5
81.03426	3.0
81.07060	4.7
83.01353	2.0
83.04967	1.8
83.08614	0.9
83.46049	0.6
84.08218	0.9
85.02914	2.5
85.06532	0.7
91.05491	12.3
93.07059	3.2
95.04984	4.9
95.08620	3.2
97.02905	1.5
97.06528	1.7
99.00803	0.8
99.04469	1.6
100.07602	0.7
101.02380	3.3
103.05457	1.1
105.07033	2.8
107.04968	6.4
107.08621	2.9
108.74311	0.6
109.02925	1.1
109.06527	1.9
109.10163	2.5
111.08080	1.0
115.05457	1.4
116.14292	0.7
117.07027	1.3
119.03548	4.4
119.04948	24.9
119.08570	2.5
120.05759	3.3
121.02892	1.3
121.06496	2.4
121.10151	2.4
123.04454	6.1
123.11758	0.9
127.03920	1.4
129.01860	1.1
129.06975	1.0
131.04936	1.2
131.08543	1.1
133.06529	1.6
133.10141	2.3
134.93854	0.6
135.04388	0.7
135.08041	1.3
135.11725	1.4
137.05960	6.1
141.06984	0.8
145.02840	2.1
145.06552	0.9
145.10143	1.6
147.04414	13.4
147.11746	1.3
149.05998	1.3
149.13322	0.7
159.08003	0.7
159.11708	0.8
161.06001	2.2
164.06912	0.8
165.04092	1.0
165.05493	3.3
167.07047	1.4
168.00572	3.0
169.01335	4.7
171.04387	1.2
173.04561	0.8
173.05978	1.2
175.07524	0.7
175.11258	0.7
177.05481	4.2
181.05008	1.1
183.02864	1.1
186.01682	1.5
191.07083	0.7
191.60349	0.6
194.02090	0.9
195.06488	1.1
196.06873	0.7
197.05998	0.9
200.04713	1.0
201.05479	1.2
207.06447	1.5
209.00845	0.6
210.06645	0.7
215.07109	0.7
218.07253	1.6
219.10124	0.8
223.07480	1.0
228.04265	1.3
235.07579	2.0
236.08389	2.0
253.04982	1.2
254.05789	1.8
256.03720	7.0
257.04532	2.1
258.05304	0.9
267.15811	0.9
271.05875	4.2
279.06522	0.9
281.04578	3.3
282.05167	3.3
284.03168	21.7
285.03937	3.3
286.04727	14.9
299.05499	19.6
300.06454	1.1
301.07077	31.5
309.03970	6.1
310.04727	39.1
311.05420	1.8
325.07098	34.6
339.07117	1.7
341.06769	1.2
358.12918	0.9
367.06003	1.2
369.07462	1.0
375.08707	1.2
385.07355	1.2
387.08774	1.8
403.08118	5.9
404.08914	10.9
419.11288	100.0
420.11612	2.1
459.27362	2.4
465.12006	3.6
477.28513	2.0
493.31305	1.2
494.32001	5.4
495.12100	0.8
495.32104	2.6
593.12994	2.1
611.13928	4.1
639.13464	52.1
640.13214	1.0
657.14160	1.6
657.30609	3.0
686.72974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
55.05516	20.9
56.00082	3.3
57.03436	12.6
57.07077	56.3
62.54625	3.8
65.03915	3.8
67.05186	4.6
67.05508	63.2
69.07064	51.4
71.05002	23.6
71.08636	37.4
71.52345	3.6
79.05500	50.4
81.03401	14.8
81.07059	56.1
83.04990	9.8
83.08626	19.7
84.86459	3.5
85.10196	18.6
85.93916	3.6
89.06052	4.5
91.05487	34.8
93.07056	35.2
95.04960	13.1
95.08613	46.4
97.06539	100.0
97.10150	9.1
99.08035	4.7
105.07027	24.7
107.04954	8.2
107.08603	22.5
109.06506	16.2
109.10168	20.0
111.08051	5.3
113.02757	4.1
115.07581	42.8
117.07040	17.7
119.08562	16.6
121.06454	5.0
121.10126	15.0
123.11712	8.5
131.08549	17.4
133.10139	18.4
134.08406	3.6
135.08020	8.1
135.11673	8.8
137.20830	3.6
139.05040	3.8
142.07784	4.9
143.08563	5.3
145.10110	6.9
146.08150	4.0
147.08072	6.3
149.09625	6.9
149.13268	7.9
155.08443	4.3
157.10143	6.0
159.11667	5.3
161.09692	5.9
171.99870	4.3
173.13174	4.5
217.15851	7.5
219.17239	3.6
221.15271	4.8
227.17926	3.6
233.15358	5.0
239.23648	4.9
245.18961	6.9
253.14311	8.8
269.17477	11.9
273.18558	36.5
291.19583	13.8
313.27377	77.3
335.92395	3.8
347.22058	11.0
365.23096	11.0
507.40286	54.4
582.38623	3.9
603.45734	14.8
621.47455	5.3
669.64648	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	655.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12685	0.2
67.05524	0.3
75.04482	0.2
76.85463	0.2
91.45254	0.2
92.75287	0.2
145.27274	0.2
197.10851	0.2
223.12210	0.2
229.56741	0.3
279.00342	0.2
297.52853	0.2
377.17938	0.4
391.19305	1.1
392.20242	0.5
393.20898	0.3
404.20517	0.2
405.16522	1.8
405.21133	0.8
406.17340	0.3
406.21964	0.5
407.17636	0.3
407.22406	4.4
408.23114	0.3
418.17731	0.4
418.22388	0.2
419.18100	3.2
419.22968	0.7
420.19003	1.7
421.19827	1.4
432.19415	0.3
433.20541	4.9
434.21152	4.3
434.26617	0.3
435.21909	8.0
436.22656	0.7
446.21198	0.4
447.17789	1.2
447.23221	1.9
448.18835	1.0
448.23343	0.7
449.19067	1.8
451.21051	0.3
461.19650	1.5
461.24326	0.8
462.20422	4.9
463.21237	3.7
464.22928	0.3
475.21530	1.7
476.22128	1.3
477.22974	1.3
478.23715	0.3
479.21112	0.9
481.26291	0.3
489.23038	1.1
490.23929	0.4
491.20306	0.2
492.21744	0.2
492.92688	0.2
493.21414	1.0
493.27609	0.3
494.23346	0.4
495.23764	0.9
505.22232	0.3
506.23154	0.4
507.20752	1.0
508.24890	1.9
509.25616	1.7
517.22339	0.3
521.25787	11.6
522.25922	0.3
534.22736	0.2
535.27313	0.9
547.27350	0.6
549.25043	16.8
550.25720	0.4
553.23798	0.9
563.26575	2.9
564.27313	0.8
565.26666	0.3
567.26654	0.3
577.24731	0.7
580.26416	0.4
581.27655	3.1
595.29382	10.7
596.29736	0.4
607.29498	0.5
609.27094	11.7
610.26788	0.3
623.28564	1.5
655.31311	100.0
656.31592	2.4
659.91333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19432	3.0
53.03938	12.6
55.01859	12.8
55.05513	33.5
57.03434	18.7
59.04980	5.0
63.28648	3.7
65.03958	3.3
67.05505	43.0
69.03427	29.7
69.07069	19.9
71.04993	12.5
71.52567	5.8
73.02901	4.7
78.21610	3.4
79.05502	43.7
81.03420	100.0
81.06667	3.8
81.07065	54.4
83.01359	6.6
83.04996	46.5
83.08632	33.5
85.02905	26.6
85.06543	7.3
89.06005	4.3
91.05482	50.2
93.07045	45.8
95.04980	37.0
95.08614	27.8
97.02901	18.3
97.06539	19.8
97.10157	7.6
99.04443	11.3
103.05479	5.4
105.07050	35.4
107.04992	23.6
107.08615	28.7
109.02894	22.4
109.06526	9.6
109.10175	19.5
111.04472	23.3
111.08088	13.9
117.07004	14.1
119.04967	5.0
119.08590	28.7
121.06530	8.9
121.10153	27.7
123.08043	10.9
123.11681	4.4
125.05981	4.0
125.09629	8.8
125.76772	3.4
127.03960	19.3
128.06088	3.1
129.05487	9.6
129.07002	15.0
130.07796	4.4
131.08551	13.4
133.06526	4.5
133.10117	17.7
133.42023	3.3
135.08044	5.4
135.11734	21.5
137.05957	5.2
137.09627	4.4
139.11212	6.1
142.07822	4.0
143.08563	5.0
145.04991	4.9
145.06459	5.7
145.10110	21.0
147.04384	13.4
147.08047	6.2
147.11690	19.6
149.09550	5.2
153.12755	13.0
157.10158	22.3
161.09818	3.3
163.11162	27.2
173.04492	4.7
173.05896	3.6
173.09566	3.8
175.03801	3.0
175.11189	10.4
175.14839	5.4
177.05470	6.7
181.12280	15.0
183.06264	4.6
191.10712	16.5
193.12274	37.5
195.11642	4.1
197.08023	5.9
198.22865	3.6
209.11765	12.8
211.13295	54.6
215.10799	4.2
227.12782	31.4
267.15875	17.8
283.15399	47.3
285.16953	12.6
286.04776	7.0
287.05383	5.3
301.07242	6.1
341.91263	4.0
343.88550	4.0
353.16049	5.4
355.17566	4.0
429.20993	10.4
444.71979	4.1
461.28745	6.4
475.26779	23.6
493.27975	81.1
511.29309	5.9
619.30817	6.6
637.31927	38.5
655.32391	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44316	0.5
69.25768	4.5
71.14314	0.5
75.04489	17.5
86.07540	0.5
141.56897	0.5
144.36368	0.5
188.10629	0.6
203.67668	0.5
231.79210	0.6
377.17822	0.6
391.19260	0.8
404.20029	1.0
405.16586	0.7
405.21133	0.7
406.17651	0.7
407.22559	1.5
419.18817	2.0
420.19275	0.9
433.20862	3.5
434.21335	2.8
435.21844	5.4
447.18243	2.0
448.18646	0.9
461.19522	10.8
462.20453	4.7
463.21396	2.7
475.21185	1.1
476.22195	0.8
479.21234	0.7
489.23157	1.0
493.21979	0.8
495.23550	1.0
507.23831	0.8
508.24673	2.9
509.25610	2.5
520.24701	0.7
521.25201	4.1
548.24445	1.4
549.25049	11.9
553.24133	1.1
563.25903	3.0
576.23737	1.8
581.27417	1.5
595.29340	11.0
596.30463	0.6
608.26440	2.4
609.27515	3.0
623.28021	5.6
655.31329	100.0
656.31635	2.8
667.06378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61843	2.4
69.62247	0.7
72.63046	0.5
82.06180	0.7
82.06580	6.0
82.34072	0.6
82.99838	0.5
84.08180	0.9
85.79000	0.5
99.55360	0.4
100.07619	24.5
100.08274	1.2
101.00888	1.2
119.01914	1.3
127.02444	0.7
143.01888	2.9
145.03461	1.1
146.08138	4.4
151.32349	0.5
155.01869	1.7
157.03467	0.5
161.02959	1.4
164.05573	1.3
167.01907	1.6
168.05144	0.5
169.03375	0.9
173.02950	1.2
179.01924	0.7
182.06628	3.2
185.02979	5.2
186.06137	1.2
197.02937	1.6
203.04099	0.9
204.07188	1.6
210.06129	2.2
215.04076	0.7
222.06305	0.5
227.04048	1.2
228.07173	100.0
229.07408	1.4
240.07217	11.0
242.08940	0.6
245.05084	12.8
246.08240	45.8
247.08455	0.8
257.05032	0.7
258.08246	7.1
263.06100	1.7
264.09372	2.6
269.09753	1.2
270.08313	2.5
272.09930	0.8
275.06253	0.6
276.09232	1.0
282.08383	0.7
288.09283	38.2
289.09601	1.0
300.09448	0.7
305.07257	0.7
306.10220	2.9
312.09201	0.6
318.10345	7.8
330.10403	4.5
348.11377	11.1
348.15268	1.0
365.09552	2.4
366.12570	1.7
390.12332	3.3
420.12732	0.5
510.16708	21.0
511.16486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2768
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
67.05506	0.4
69.95393	0.4
69.95759	0.9
78.45345	0.2
79.05499	0.4
79.58739	0.2
81.07059	0.4
84.26868	0.2
91.05508	0.2
93.07040	0.2
119.08557	0.3
120.08109	0.2
129.06999	0.2
131.08539	0.3
183.09276	0.2
239.11763	0.3
284.11945	0.2
286.13727	0.2
301.12549	0.3
318.93103	0.2
328.14435	0.3
330.16022	0.3
335.72430	0.3
340.14307	0.3
363.15979	0.3
375.16226	0.4
376.17224	0.4
377.17572	1.4
379.19266	0.7
389.17926	0.5
390.18582	0.8
391.15033	0.2
391.19522	2.3
392.20032	0.9
393.20926	1.0
394.21680	0.3
403.19550	0.7
404.15894	0.5
404.20206	0.7
405.16452	2.7
405.21069	1.2
406.17264	0.5
406.21967	0.7
407.18594	0.4
407.22556	4.6
408.23227	0.5
417.17090	0.6
418.17328	1.5
419.18323	6.1
420.19220	2.1
421.20218	2.0
431.18900	0.4
432.19440	0.8
433.20444	10.6
434.21152	6.1
435.16412	0.4
435.21939	6.2
436.22720	0.4
439.21387	0.4
446.21368	0.4
447.18015	1.6
447.22345	1.5
448.18600	0.7
448.23544	0.4
449.19763	1.9
450.20438	0.7
452.22284	0.3
459.17929	0.3
461.18774	1.6
462.20380	2.7
463.21475	3.9
465.18582	1.7
475.21838	1.5
478.20148	0.7
479.20877	0.8
489.22803	0.8
490.20355	0.7
491.20508	1.3
493.22104	2.2
503.20923	0.4
505.22543	1.1
506.23312	0.4
507.20062	0.6
508.21344	0.8
509.21951	0.7
517.22375	0.6
520.24695	1.0
521.25726	8.8
523.27386	0.5
535.22028	0.3
548.24048	0.6
549.25043	12.7
550.24664	0.3
551.22986	0.4
552.23724	0.7
559.23444	0.5
565.24542	1.7
566.25952	0.3
577.24530	9.7
578.24017	0.4
579.22443	0.5
580.27234	1.4
581.27521	2.0
586.15076	0.3
595.25494	5.5
605.23804	1.3
609.27142	2.5
623.25409	0.4
637.26563	6.9
638.26923	0.3
655.27673	100.0
656.28046	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1658
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.05508	0.6
57.03440	0.3
57.07060	0.3
63.02391	0.3
63.82482	0.3
65.03934	0.3
67.05511	0.5
68.99790	0.4
69.03426	0.8
69.07072	0.6
69.43311	1.8
71.04995	0.6
74.31457	0.2
79.05472	0.4
80.19173	0.2
81.03429	3.8
81.07072	1.2
84.02120	0.3
84.08040	0.3
85.02933	1.2
85.06542	0.3
89.03920	5.0
91.05469	1.7
93.07053	0.6
95.04984	0.6
95.08616	1.1
97.02901	0.7
97.06499	0.4
98.21519	0.3
99.00796	0.5
99.04439	0.6
105.03388	0.3
105.07031	0.8
107.04984	0.4
107.08603	0.8
108.08867	0.3
109.02898	1.9
109.10158	1.1
111.04456	0.3
111.08109	0.3
112.01675	0.3
117.03387	15.6
117.07031	0.3
119.04941	1.4
119.08601	0.7
121.06487	0.3
121.10141	0.8
127.00321	0.4
127.03937	0.5
131.04942	0.3
133.10127	0.6
134.03647	3.1
135.04428	1.1
135.11707	0.4
136.07614	0.3
137.02338	0.5
137.05986	0.4
140.00999	0.4
145.02853	41.1
145.10150	0.3
146.03247	0.3
147.04434	1.0
147.11661	0.4
149.05981	4.7
153.01872	0.5
157.03963	0.3
161.05927	0.3
163.03914	0.9
163.07596	0.3
164.07060	0.3
167.07089	0.3
168.00551	6.3
169.01367	1.5
175.03937	2.4
177.05481	100.0
178.05833	0.7
181.04988	0.3
183.02928	0.6
186.01607	3.5
186.05479	1.5
191.07031	0.4
195.06577	1.4
200.04662	0.5
207.06560	4.9
207.75539	0.3
218.05760	0.9
228.04202	0.7
229.04904	0.5
231.06491	0.3
245.04446	2.0
246.05234	1.8
256.03625	1.4
257.04453	1.0
271.05896	0.7
273.03995	0.5
274.04721	1.2
284.03165	1.0
285.04053	3.2
285.07483	0.6
286.04703	0.9
286.07999	0.6
287.05453	4.4
287.08179	0.4
299.05603	0.6
301.03458	4.1
301.07138	1.0
302.04227	57.8
303.04681	0.9
317.06573	96.7
318.06964	1.1
321.09726	6.4
331.08160	0.5
339.10782	3.5
351.10452	0.3
553.09930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01878	1.2
55.05519	1.6
57.03442	0.9
59.05009	0.3
60.72642	0.2
61.02924	0.6
67.01851	0.2
68.99799	1.8
69.03442	6.0
69.57668	0.9
71.01361	0.4
71.05009	2.3
72.78706	0.2
73.02927	0.9
79.05500	0.2
81.03430	8.7
81.21402	0.2
83.01350	0.2
83.04995	4.1
85.02918	7.9
87.00848	2.3
87.04497	0.2
91.03999	0.2
91.05457	0.3
95.04982	0.4
97.02906	4.8
99.04475	3.1
101.02384	0.2
101.06033	3.9
103.03942	0.4
105.01868	1.3
105.06170	0.2
105.06951	0.2
107.05013	0.2
109.02896	12.8
111.04459	1.5
113.02351	0.3
115.03979	0.4
117.01844	0.2
119.07083	1.3
121.02890	0.4
123.04467	0.6
125.02383	0.8
127.03935	100.0
128.04320	0.4
129.01857	1.0
129.05493	1.0
133.06537	0.2
137.06015	0.2
137.08112	3.6
139.03966	0.3
140.34320	0.2
141.01108	0.2
141.01889	1.9
142.48643	0.2
143.06978	0.2
145.02945	0.3
145.04982	2.5
145.06058	0.3
147.02887	0.9
147.04422	0.3
147.06573	0.2
149.02374	0.2
151.03944	0.7
159.02898	1.2
163.03926	0.3
165.05461	0.4
169.05080	0.3
171.02979	0.5
177.05493	0.4
181.04945	0.2
189.04044	0.3
189.05562	0.6
193.04976	0.4
195.02800	0.3
201.03967	0.2
207.06581	0.4
209.08087	0.4
213.03990	1.9
215.16948	0.2
217.05067	0.3
227.09250	0.8
231.05029	2.3
235.05992	0.3
253.07014	0.2
255.05109	0.3
266.53305	0.2
273.06033	1.0
285.06082	0.5
303.07217	0.4
321.06186	0.6
331.07886	0.5
333.07901	0.2
339.07199	1.3
357.08292	2.8
375.09259	3.2
435.64340	0.2
457.14029	0.3
475.14371	0.3
493.15103	0.4
501.12399	0.4
519.13489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12469	3.4
51.66004	4.2
53.03945	13.7
55.01875	16.5
55.05519	25.5
57.03428	8.8
57.81139	4.2
58.05594	3.7
60.03692	4.3
67.05520	33.5
69.03432	28.7
69.07075	17.6
70.51862	4.1
71.04998	16.1
74.87331	4.5
75.86567	4.4
79.05507	36.4
79.47842	4.1
81.02994	6.9
81.03435	100.0
81.07069	43.2
83.01362	7.9
83.05000	32.5
83.08632	20.9
85.02914	21.1
91.05489	28.2
93.07056	49.3
95.04969	14.6
95.08616	22.0
97.02904	25.4
97.06551	13.6
97.10182	5.4
99.04453	15.1
103.05441	4.9
105.07048	23.0
107.04975	14.8
107.08623	22.2
109.02905	40.2
109.06532	6.7
109.10202	11.9
111.04459	38.6
111.08097	17.1
117.07010	11.4
119.08602	17.6
121.06518	7.7
121.10152	16.9
123.04478	4.3
123.08105	14.0
125.09646	10.0
127.03950	25.5
131.08557	5.0
133.10181	8.7
135.08083	6.8
135.11734	36.7
137.06033	5.1
137.09613	5.0
143.08530	5.0
145.10147	29.6
147.04370	10.7
147.11734	5.8
147.13539	4.1
150.67226	3.9
153.12759	23.2
159.08128	4.3
163.11191	52.3
173.09703	9.0
181.12294	30.3
189.11250	4.3
191.10658	20.0
196.39519	4.5
202.33894	5.0
209.11757	20.9
227.12778	56.0
283.15451	79.5
289.14517	4.5
301.06738	4.5
309.13394	5.1
353.15897	17.4
409.18622	5.7
427.19601	29.0
473.25061	6.0
491.26511	20.6
509.27612	19.3
563.18073	15.0
635.30688	40.6
653.31281	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34593	0.4
62.10109	0.4
67.05444	0.5
70.15327	1.8
71.08575	0.5
75.23814	0.4
79.30365	0.4
89.32141	0.4
118.06437	0.9
120.08002	0.6
138.05423	0.5
139.16257	0.4
144.07904	0.5
172.03909	0.8
173.10689	0.5
195.09000	0.9
196.09830	0.5
197.10742	0.8
204.37233	0.4
207.08966	0.8
208.09731	0.8
209.10632	1.6
210.11406	1.4
211.12254	1.0
212.12982	0.8
220.09758	0.6
221.10669	1.4
222.11360	0.5
223.08679	0.6
223.12314	2.0
224.12881	0.8
225.10194	0.5
225.13893	3.8
226.14607	0.9
235.08574	1.1
235.12276	1.3
236.09239	0.5
237.10109	1.2
237.13831	2.6
238.14673	0.5
239.15388	0.4
247.08707	0.6
247.12303	0.7
249.10220	2.1
249.13858	1.2
250.11014	0.4
251.08076	0.8
251.11726	1.1
261.10059	0.4
263.11533	0.5
265.09833	0.7
269.12842	0.8
275.15457	0.9
276.08777	0.4
276.16098	0.5
277.09628	1.4
281.09286	0.5
281.12598	0.5
293.09344	0.5
298.13397	0.6
300.14899	0.6
309.12262	0.4
312.11221	0.5
314.12799	0.6
326.12717	1.2
335.10406	0.7
336.11258	0.5
337.11993	2.0
338.12817	0.9
338.16437	0.6
340.14471	1.0
342.16269	0.5
348.22833	0.5
350.12775	0.9
351.13821	0.8
352.14386	0.9
354.16156	0.5
366.16095	2.0
368.13907	0.6
369.18243	0.6
382.15442	0.7
387.16309	0.5
388.16925	0.5
389.18307	0.5
394.15543	0.9
396.13358	1.0
399.16620	0.6
400.17618	0.5
401.17609	1.5
402.18768	1.0
403.19357	1.2
411.15643	0.5
412.16711	0.9
415.15372	1.3
415.19852	0.8
416.15887	0.9
416.20367	0.9
417.16974	1.7
417.21295	1.0
419.18475	0.6
422.15213	0.5
426.18188	0.9
427.19232	0.5
428.16150	0.5
429.17075	2.9
430.17807	2.0
431.17938	3.1
432.18982	0.6
433.20230	0.9
434.21002	0.5
442.18701	0.5
443.18958	2.1
444.19461	1.8
445.20395	3.7
446.20850	3.6
447.21881	3.3
454.17847	2.0
457.16196	1.2
459.22375	5.2
460.22391	1.5
463.21216	0.7
471.17780	1.2
472.19006	1.6
473.18692	0.6
473.23459	1.5
474.20236	0.8
474.24268	0.7
475.21393	2.8
477.22873	0.5
486.20667	0.7
487.21432	9.7
488.21973	1.2
489.23029	0.8
490.23026	0.5
491.24643	0.8
501.23135	4.0
502.20633	0.7
503.21054	0.8
508.27701	0.5
512.48468	0.4
515.20612	2.6
517.22485	1.2
519.23920	3.8
521.25732	1.2
529.22571	3.6
531.20062	0.8
533.25629	4.5
534.22638	0.8
543.23846	0.9
546.22449	1.1
547.23303	2.9
561.25006	88.1
562.25647	3.6
575.27039	0.7
589.24432	7.4
592.25812	0.8
593.30719	0.9
603.25732	0.6
621.27112	100.0
622.27405	2.7
635.28217	1.7
653.32367	9.1
656.81024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72647	0.5
63.88490	0.5
67.05457	0.8
69.24751	3.4
69.25152	1.1
79.05414	0.9
87.68933	0.5
117.00176	0.5
118.06512	0.7
120.08083	1.3
134.05951	0.6
195.09151	0.7
196.09917	1.1
197.10809	0.7
199.08675	0.7
204.06525	0.8
207.09193	1.1
209.10678	2.3
210.11469	1.0
211.12271	1.2
212.12978	0.7
221.10820	1.7
222.11496	0.9
223.08658	0.9
223.12291	2.5
224.12996	1.1
225.10344	0.8
225.13847	4.5
226.14677	1.0
234.11562	0.7
235.08733	0.7
235.12138	1.0
236.09564	0.6
237.10291	1.0
237.13808	3.0
238.14618	0.9
239.15482	1.8
247.08763	0.7
249.10226	2.4
249.13855	1.5
251.08237	0.8
251.11758	1.4
263.08215	1.2
263.11493	0.8
265.09631	0.8
265.13412	0.8
273.13882	0.8
274.14536	0.6
275.15536	0.6
277.09866	1.1
284.15140	0.6
287.38510	0.6
293.09451	0.6
309.12399	0.6
316.14252	0.6
323.14011	0.8
324.15228	0.6
326.12988	0.8
336.10898	0.7
337.11856	1.4
338.13016	1.2
340.14511	0.7
351.13913	1.0
352.14526	1.6
353.15222	0.6
359.83517	0.6
366.12149	0.8
366.16208	1.4
368.13843	1.0
374.15833	0.6
382.16064	0.9
387.16037	1.1
394.15561	0.8
396.13324	1.1
399.16837	0.8
401.17789	1.3
402.18863	1.3
403.19391	1.3
410.14948	0.8
413.14673	0.7
415.19647	0.9
416.15991	1.0
417.21335	1.2
426.18207	1.6
428.16318	0.9
429.17010	4.4
430.17978	1.8
431.18661	3.4
431.23102	1.9
432.19095	0.8
443.18872	1.9
444.20020	1.3
445.20297	4.3
446.20847	3.1
447.21887	3.9
454.17441	1.9
457.15906	1.2
458.21460	1.1
459.22498	5.6
460.22641	0.8
471.18469	1.6
472.18588	1.1
473.19193	0.8
473.24176	1.6
474.20700	1.0
475.21515	3.0
487.21466	10.5
488.22183	1.6
501.22998	4.8
502.20438	0.9
503.20709	1.0
515.20929	3.7
517.22211	0.9
518.23297	0.6
519.23987	3.9
520.24756	0.7
529.22302	3.7
531.20483	1.2
533.25739	4.5
534.22974	1.3
535.23273	0.7
546.22321	0.8
547.23511	2.4
561.25018	93.3
562.25421	2.8
589.24371	7.3
593.27429	0.9
621.27106	100.0
622.27570	2.4
653.28925	2.1
653.39838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95895	0.3
57.07092	0.3
62.65296	0.3
63.58566	0.3
71.29632	0.5
81.07080	0.6
86.09680	0.3
111.61864	0.4
132.08218	0.3
148.65186	0.3
151.85936	0.3
172.17618	0.3
183.09262	0.3
209.10774	0.5
211.08656	0.4
211.12300	0.4
212.13141	0.3
220.09929	0.3
221.10817	0.7
222.11623	0.4
223.12315	0.8
225.13831	0.5
237.14087	0.5
239.15546	0.5
249.10329	0.4
253.13460	0.3
265.13519	0.4
269.12936	0.4
295.14435	0.5
297.12405	0.4
300.15295	0.4
311.13995	0.7
312.14963	0.4
322.13278	0.3
324.15332	0.4
326.16718	0.5
327.17447	0.4
328.18103	0.5
337.15457	0.4
348.33496	0.3
354.16324	0.3
375.16595	0.3
384.17450	0.4
386.18710	0.9
388.18253	0.4
389.17325	1.7
390.18536	1.5
391.19040	1.5
392.19949	0.6
393.21240	0.4
394.15201	0.4
400.20468	0.4
401.17914	0.4
402.18103	0.4
402.22272	0.4
403.19650	2.0
404.20151	3.2
405.20795	10.9
406.21490	0.5
411.16159	0.3
415.19437	0.6
416.20319	0.4
417.21033	2.3
418.22086	1.7
419.22437	7.8
420.23306	2.9
421.23999	0.7
429.16782	0.5
430.22137	0.3
431.23257	1.4
432.23126	1.0
433.24142	5.8
434.24783	2.7
435.18326	1.1
437.23755	0.4
442.20901	0.4
443.18637	0.6
444.19458	0.6
445.20285	1.3
446.25195	0.4
447.21252	4.0
448.18890	0.5
448.26166	1.0
449.19559	6.1
450.20502	2.8
452.22586	0.5
459.22238	2.2
460.22574	0.9
462.20786	1.1
463.21411	5.6
464.22034	3.4
465.22824	2.0
471.18497	0.5
472.19247	0.9
473.19003	0.4
473.24298	0.6
474.24100	0.8
475.20944	2.3
476.22589	0.8
477.23071	3.5
478.23779	3.1
479.24490	29.7
480.25031	0.8
483.21875	0.4
486.20697	0.9
487.21286	3.8
489.23291	0.4
491.20639	2.0
491.24890	1.7
492.25735	2.0
493.26633	1.4
501.23270	4.3
502.23914	1.6
503.20755	0.4
504.21790	0.6
505.25540	1.3
506.26669	0.9
507.27640	17.3
518.22998	0.5
519.24237	3.2
521.21686	0.7
533.25769	4.5
534.25311	0.6
535.23590	0.6
536.24121	1.0
537.25031	9.4
539.26819	0.5
543.23853	0.6
549.24786	0.6
550.25775	1.0
551.26593	27.5
552.26514	0.7
560.24561	0.9
561.25061	5.7
562.25873	1.0
563.23291	1.1
565.28192	13.9
566.28943	52.9
567.29236	1.7
575.26526	1.5
578.25616	0.9
579.25977	0.6
588.23669	0.6
593.27643	8.0
594.28076	0.5
603.26086	1.0
620.28436	0.4
621.27246	12.1
625.30316	0.5
635.28766	2.7
638.27325	0.4
653.29785	100.0
654.30292	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.07066	1.6
64.72881	1.1
67.05476	1.2
69.45099	1.2
69.58512	8.1
89.06006	1.4
95.95507	1.4
133.10143	2.6
149.52164	1.2
209.10742	3.2
210.11449	1.6
221.10832	1.5
223.12401	2.6
225.13986	3.8
226.14731	1.6
235.12250	1.7
237.13817	2.9
249.14130	1.5
251.08401	1.5
276.08881	1.3
277.09760	2.1
323.10968	1.3
403.19104	2.0
415.15338	1.5
429.17352	1.4
431.18622	4.9
432.18954	1.8
443.18832	3.7
444.19379	2.0
445.20157	2.9
446.21103	3.1
447.21802	2.7
458.21054	2.0
459.22006	3.8
473.23395	2.3
475.21222	2.0
487.21509	9.6
491.20840	1.7
501.22620	4.0
519.23657	4.5
529.22107	3.2
533.25281	4.3
547.23743	1.8
561.25006	81.1
562.25098	2.1
589.24341	7.2
621.27100	100.0
622.27271	3.8
653.29468	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	653.2974
Annotation	Haplophytine
Peak:m/z	Relative Intensity
57.07081	1.4
59.05006	1.9
61.68533	0.8
71.08631	1.1
81.07043	0.9
85.10183	1.4
89.06052	1.9
97.10268	0.7
98.20751	2.8
144.37004	0.9
229.26924	0.8
245.63055	0.9
263.94257	0.9
375.16458	1.6
376.17233	1.1
388.17896	0.9
389.17871	2.7
390.18454	2.9
391.19171	1.1
402.18954	0.9
403.19522	3.9
404.20297	3.7
405.20782	3.4
406.21692	0.9
411.16504	0.9
413.17676	1.4
415.19437	1.9
417.16656	1.8
417.21356	2.1
418.17462	1.1
419.22644	5.0
420.23187	2.2
427.19495	1.6
428.20016	1.3
429.21017	1.5
431.18219	1.5
431.23041	1.4
432.19208	1.1
433.19846	8.8
441.21158	1.2
442.21851	1.4
443.22433	2.4
445.20471	2.8
446.21350	2.0
447.21857	7.5
448.26608	1.0
457.24503	1.7
458.21045	1.0
459.22168	2.3
461.19638	0.9
463.21420	1.1
471.21991	2.1
472.19376	1.0
473.24371	1.5
474.20099	1.6
475.21265	7.2
483.21878	2.2
484.22610	3.4
485.19513	2.2
486.20453	1.5
487.21381	7.1
488.22299	1.4
489.23105	1.2
491.20499	12.8
500.22076	1.5
501.23447	4.5
502.23672	7.9
503.24277	1.3
505.18668	1.1
505.26166	1.8
506.26968	3.1
511.21091	1.9
513.22656	1.0
515.24500	2.3
516.25470	1.8
517.22552	2.0
519.24023	1.4
529.22845	1.0
533.26233	3.8
534.26459	13.2
543.23895	1.3
544.24615	2.3
545.25208	1.0
560.24310	2.7
561.25220	4.0
562.25714	2.9
565.28821	1.1
571.23340	7.0
572.24536	1.1
575.26581	25.8
577.28241	1.8
589.24213	1.6
593.27911	4.4
603.26031	9.5
621.27081	53.1
622.27966	1.2
635.28735	49.9
636.29297	1.1
653.29730	100.0
654.30078	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87774	1.3
71.52634	2.8
194.79123	1.4
210.11516	1.7
222.93092	1.3
224.13025	1.6
225.13911	3.3
238.14619	1.4
240.46703	1.4
249.14096	1.6
406.07135	1.3
417.21423	1.8
437.23746	1.7
445.19955	1.8
447.22144	2.4
459.21948	1.8
463.21408	2.6
475.21423	2.7
479.24286	1.7
487.21655	3.9
491.20151	7.1
493.21960	1.7
500.21909	2.8
501.18216	2.8
501.24121	2.7
517.22577	1.8
519.23944	3.9
528.22260	3.0
529.22510	4.7
533.21460	1.6
541.55804	1.5
551.27014	6.7
560.24329	6.8
566.28467	3.3
575.26965	9.3
588.23956	6.2
603.26074	5.2
621.28210	2.6
635.28693	52.1
653.29779	100.0
654.30145	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	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.68934	0.3
63.53099	0.4
69.56271	1.9
77.32523	0.3
109.14309	0.4
136.37354	0.3
138.93550	0.3
171.49918	0.3
174.21236	0.3
209.10730	0.4
221.10814	0.4
307.92273	0.3
342.12747	0.3
350.82922	0.3
375.16919	0.3
376.17020	0.3
377.17767	0.9
389.18335	0.9
390.18585	1.1
391.19147	4.2
392.19910	1.9
393.21344	0.6
403.19739	0.7
404.20181	0.7
405.20770	7.8
406.21591	5.8
407.22290	0.9
417.21146	0.6
418.21799	0.7
419.23013	2.0
420.23132	4.8
421.23874	10.3
430.33121	0.3
433.19519	3.1
434.24896	0.5
435.18158	0.8
436.18802	2.0
445.19867	1.5
447.21979	1.6
447.26999	0.4
449.19827	1.5
449.27106	0.5
450.20428	2.0
451.21494	0.9
452.22119	1.8
458.17819	0.4
460.22974	2.0
461.23141	0.8
463.21973	0.7
464.22238	0.7
465.22897	34.6
466.23117	1.0
473.19540	1.9
475.25760	1.4
477.23352	0.4
477.26682	0.6
478.23618	1.0
479.17758	0.5
479.24442	6.6
480.25351	3.5
486.20602	0.4
487.21420	1.4
488.22144	4.1
491.20163	0.7
492.21664	1.4
499.50165	0.3
501.22827	1.1
503.24478	39.4
504.24469	1.4
505.22519	1.2
507.27908	2.9
533.25635	0.7
535.27087	27.2
536.27295	0.5
546.77679	0.3
551.26544	4.5
559.26117	0.4
561.24805	1.1
566.28839	1.5
579.26056	30.9
580.26324	0.7
593.27832	1.4
594.28400	10.9
621.27118	6.9
653.29730	100.0
654.30127	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	653.2608
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
53.41048	1.2
59.04995	1.1
71.47504	1.2
71.52008	1.6
75.56286	1.0
79.99820	1.0
81.07048	1.5
98.56371	1.3
109.10238	1.3
184.26183	1.0
211.12529	1.3
280.75742	1.4
363.16003	1.6
377.17773	5.8
378.18439	3.2
380.49643	1.2
390.18689	2.8
391.19214	8.2
392.20035	5.0
393.20752	5.1
403.19568	1.6
405.21149	8.3
406.21594	2.5
407.22482	11.2
414.14484	2.1
415.19247	1.8
419.17999	2.7
419.22610	3.5
420.18823	1.5
421.20703	7.5
433.19830	2.1
434.20901	3.3
435.22119	14.6
436.22629	3.5
437.19788	3.7
441.67880	1.3
445.20578	1.9
446.21158	1.7
447.21878	4.4
449.19577	1.9
451.21259	5.6
459.18039	3.3
462.24298	1.5
465.19138	7.1
466.20145	3.7
473.19766	3.7
474.20450	2.8
479.20782	19.2
480.21487	2.1
487.21426	1.9
489.23026	3.9
493.26413	2.4
501.19449	5.3
505.18140	6.7
506.19656	3.3
515.20752	7.1
516.21777	3.3
517.22388	29.4
521.25488	8.4
522.26392	2.5
533.21771	2.0
537.24640	4.7
538.25977	2.0
547.22986	3.7
548.20459	2.0
549.25055	31.1
551.22955	8.4
561.21161	1.6
565.24524	5.3
566.25220	23.6
575.22852	10.7
576.23456	1.8
593.24048	16.0
594.24475	3.1
607.25372	4.1
609.27435	9.5
621.26367	1.4
625.26660	2.8
635.25055	83.3
636.24683	1.5
653.26074	100.0
654.26642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.03434	1.0
65.82746	0.5
67.05496	1.9
69.03419	2.0
69.07055	1.4
69.20918	1.4
69.21323	4.5
79.05484	2.2
81.03422	3.8
81.07054	2.5
83.04963	0.7
84.18235	0.5
85.02905	1.6
85.06506	0.8
90.83003	0.5
91.05479	2.0
93.07028	1.9
95.04996	0.7
95.08596	2.3
97.02901	1.3
97.06532	1.3
97.10191	0.8
103.05449	1.3
103.28455	0.5
105.07055	3.0
107.04984	1.1
107.08572	1.7
109.02880	1.9
109.06508	0.8
109.10183	2.1
118.04212	0.9
119.04953	1.4
119.08583	1.4
120.05748	0.8
121.06417	0.6
121.10149	1.7
127.03967	1.2
131.08582	0.9
132.05708	1.9
133.02866	0.9
133.06499	1.2
133.10107	1.1
135.11662	0.8
137.06062	0.7
145.02818	0.9
145.10088	1.5
146.08141	1.4
146.48605	0.6
147.04408	1.9
147.11729	1.3
148.05211	5.7
160.05215	1.1
161.05923	0.9
161.13293	0.8
163.03896	0.8
163.07558	14.9
163.11212	0.6
168.00551	2.6
176.04678	1.5
177.05458	1.5
186.01608	1.3
191.07043	100.0
209.08206	1.0
212.04707	1.1
222.63409	0.6
227.12880	0.9
240.04352	0.9
258.05258	1.2
268.03769	0.7
269.04489	1.6
282.68173	0.6
283.15381	0.7
285.04037	5.2
286.04736	44.7
301.07080	66.9
315.08585	2.7
335.11221	5.5
353.12149	1.9
532.16840	0.6
653.33142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.03434	1.0
65.82746	0.5
67.05496	1.9
69.03419	2.0
69.07055	1.4
69.20918	1.4
69.21323	4.5
79.05484	2.2
81.03422	3.8
81.07054	2.5
83.04963	0.7
84.18235	0.5
85.02905	1.6
85.06506	0.8
90.83003	0.5
91.05479	2.0
93.07028	1.9
95.04996	0.7
95.08596	2.3
97.02901	1.3
97.06532	1.3
97.10191	0.8
103.05449	1.3
103.28455	0.5
105.07055	3.0
107.04984	1.1
107.08572	1.7
109.02880	1.9
109.06508	0.8
109.10183	2.1
118.04212	0.9
119.04953	1.4
119.08583	1.4
120.05748	0.8
121.06417	0.6
121.10149	1.7
127.03967	1.2
131.08582	0.9
132.05708	1.9
133.02866	0.9
133.06499	1.2
133.10107	1.1
135.11662	0.8
137.06062	0.7
145.02818	0.9
145.10088	1.5
146.08141	1.4
146.48605	0.6
147.04408	1.9
147.11729	1.3
148.05211	5.7
160.05215	1.1
161.05923	0.9
161.13293	0.8
163.03896	0.8
163.07558	14.9
163.11212	0.6
168.00551	2.6
176.04678	1.5
177.05458	1.5
186.01608	1.3
191.07043	100.0
209.08206	1.0
212.04707	1.1
222.63409	0.6
227.12880	0.9
240.04352	0.9
258.05258	1.2
268.03769	0.7
269.04489	1.6
282.68173	0.6
283.15381	0.7
285.04037	5.2
286.04736	44.7
301.07080	66.9
315.08585	2.7
335.11221	5.5
353.12149	1.9
532.16840	0.6
653.33142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.1
55.05527	0.2
57.03448	0.1
61.43275	0.1
67.05519	0.2
68.99820	0.2
69.03454	0.2
69.07095	0.3
70.06612	0.1
70.85884	0.3
71.04997	0.2
73.02967	0.1
74.03937	0.1
79.05518	0.3
81.03448	0.4
81.07062	0.6
82.37551	0.1
83.05022	0.2
83.08615	0.1
85.02945	0.5
85.06580	0.1
89.03943	0.2
91.05514	0.3
93.07085	0.4
95.01325	0.1
95.05014	0.2
95.08654	0.3
96.18649	0.1
97.02917	0.2
97.06568	0.1
103.05479	0.1
105.07098	0.3
107.04961	0.1
107.08662	0.4
108.27192	0.1
109.02919	0.2
109.06509	0.1
109.10188	0.2
111.04459	0.1
117.03423	0.4
119.04993	0.2
119.08625	0.2
121.02904	0.2
121.10171	0.3
123.00808	0.1
123.11726	0.3
124.04067	0.1
127.03931	0.2
131.08598	0.2
133.10150	0.2
134.03647	0.8
135.04472	0.1
135.11746	0.2
137.06012	0.4
137.41261	0.1
138.03168	0.2
139.03944	0.2
145.02849	1.0
145.10155	0.2
147.04427	0.5
147.11757	0.2
148.05260	0.2
149.06039	0.3
151.03951	0.3
151.11154	0.1
152.01062	0.2
155.04965	0.3
155.06229	0.1
163.04008	0.2
166.02684	0.6
167.03435	3.4
167.04948	0.4
169.01353	0.4
170.03693	0.2
171.04422	0.2
175.03979	0.4
177.05478	2.1
177.06882	0.2
184.03693	2.6
184.05179	0.3
185.13264	0.1
187.07500	0.1
191.07016	0.2
195.04436	0.3
195.06348	0.1
195.22069	0.1
199.07642	0.3
201.05322	0.5
207.06641	0.2
211.03926	0.2
212.04729	1.1
213.05522	0.2
215.03598	0.1
215.07072	0.4
216.07841	0.7
223.03995	0.3
225.05504	0.2
227.06937	0.7
229.04941	1.0
239.03510	0.2
240.04189	1.5
241.04933	0.2
243.06526	2.5
244.07329	2.4
254.05841	0.1
255.06528	2.6
257.04504	0.5
259.09698	1.2
267.02869	0.4
268.03690	1.3
270.05133	0.1
271.05988	0.7
272.06754	1.5
283.06024	3.1
284.06662	0.2
285.03976	0.4
285.07596	0.9
286.04739	0.4
287.09238	0.2
299.05515	3.0
300.06293	19.2
301.06924	0.8
315.08618	100.0
316.08859	1.0
321.09592	0.2
330.07239	0.2
345.09683	1.7
351.25040	0.2
352.25537	0.2
491.29950	0.2
507.14682	0.9
653.36420	0.4
683.85388	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
55.01875	4.3
55.05516	29.4
57.03428	9.8
59.04988	3.3
60.04510	3.0
65.03946	3.3
67.05511	100.0
69.03434	22.1
69.07072	15.9
69.28629	23.1
71.04991	4.7
79.05496	32.8
80.02942	2.5
81.03422	39.4
81.07063	59.9
83.04975	18.2
83.08643	17.4
85.02905	7.1
85.06528	4.7
91.05486	27.2
93.07050	35.2
93.67209	2.8
95.04956	10.6
95.08618	44.5
97.02879	16.7
97.06510	5.4
97.10179	15.8
99.04441	5.8
105.07058	21.8
107.04967	6.7
107.08617	22.5
109.02861	10.9
109.06506	4.3
109.10162	69.0
111.04433	8.1
111.08125	2.7
117.07027	13.7
119.08600	25.0
121.06490	6.5
121.10143	13.9
123.11697	8.7
125.09648	14.5
127.03853	3.3
129.05467	9.8
129.06979	7.8
131.08582	14.6
133.10146	17.9
135.08040	5.2
135.11702	8.5
137.09581	5.8
137.13216	3.7
139.11168	3.1
141.06972	3.9
142.07692	2.9
143.08574	8.0
145.10138	18.3
147.07980	2.7
147.11703	10.9
149.13274	6.1
153.09158	2.7
155.10664	6.2
157.10133	7.5
159.08209	3.3
159.11713	8.0
161.13219	6.1
167.08534	2.8
169.10216	6.3
171.11674	4.9
173.11732	23.2
173.13301	6.9
173.88470	2.8
175.11096	3.4
176.61179	3.0
183.11670	4.8
185.13234	3.8
187.14844	4.2
189.11237	10.3
189.12805	2.9
191.14313	3.7
197.13283	5.2
207.50945	2.6
209.13271	3.3
223.14621	3.4
227.12762	12.1
229.14357	44.7
230.76093	3.0
245.13870	4.6
259.20718	3.1
261.22156	9.3
273.22177	2.9
283.20444	2.7
299.14816	5.3
301.21463	4.7
315.23477	3.0
323.24124	2.6
335.25769	12.4
337.27286	11.2
339.22473	2.7
341.24835	3.6
351.23254	4.4
369.24298	14.4
371.17007	5.7
373.18625	6.5
379.41763	2.8
387.25266	9.9
405.26321	5.1
461.28867	5.4
489.35336	7.8
597.37701	8.5
615.38849	8.3
633.39984	34.0
651.40887	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	652.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86153	0.6
53.03929	1.0
55.01855	0.6
55.05267	1.0
55.05513	13.1
57.03437	1.3
57.07065	1.2
64.12068	0.6
67.05510	6.7
69.03445	3.3
69.07072	9.4
71.04981	1.7
71.52159	1.0
79.05492	6.6
81.03423	1.4
81.07062	20.7
83.04987	5.9
83.08633	3.7
85.02924	3.4
85.06541	2.4
91.05474	4.4
93.07045	12.4
95.01321	1.9
95.04964	2.4
95.08613	15.5
97.02889	1.6
97.06529	4.7
97.10177	28.3
99.04450	1.8
99.08088	0.9
105.07031	18.6
107.04903	1.1
107.08603	15.0
109.06527	7.3
109.10165	11.8
111.04465	1.2
111.08092	1.8
111.11722	1.8
117.06980	2.0
119.04907	0.8
119.07795	1.2
119.08588	13.5
121.06545	1.2
121.10143	12.2
121.10947	1.1
123.08083	9.1
123.11712	11.1
125.06103	0.9
125.09620	7.5
127.03933	0.7
127.07562	3.5
131.08591	3.4
133.06519	0.7
133.10118	7.3
135.08046	1.8
135.11710	5.4
137.09642	3.7
137.13248	2.0
139.11165	5.6
141.01807	2.9
141.09067	0.8
143.08521	1.2
143.10663	6.1
145.10153	5.6
147.08087	0.9
147.10512	1.6
147.11699	32.3
149.09618	7.4
149.13243	3.8
151.07550	2.0
151.11182	5.5
155.10657	1.0
157.10179	3.2
159.11722	6.2
161.09692	1.5
161.13268	9.4
163.03865	0.8
163.11206	3.1
163.14859	1.4
165.09132	2.2
165.12758	22.5
167.10709	1.8
171.11737	2.2
173.11800	0.9
173.13280	2.0
175.11128	3.6
175.14827	1.2
177.09134	0.6
177.12761	6.8
177.16371	0.8
179.14331	3.1
185.13280	1.5
187.11153	1.5
187.14871	2.1
189.11249	1.4
189.12772	2.4
189.16388	1.2
191.10744	1.5
191.14456	0.9
193.10580	0.8
193.12250	16.8
194.82524	0.6
195.13805	1.2
197.13252	0.9
199.14827	1.4
203.14290	0.9
205.12277	3.4
205.15933	1.4
207.13783	4.9
211.13206	1.6
215.14395	1.7
217.15979	1.0
219.13786	1.0
227.12802	2.0
229.14316	9.2
230.88290	0.7
233.15311	1.5
243.15909	2.7
245.13876	1.8
251.16347	1.2
257.22784	0.7
259.09708	0.7
265.14417	0.7
267.21143	2.8
275.23660	0.9
285.17004	0.9
285.22119	3.2
289.05994	0.7
295.20660	2.8
303.23169	5.6
305.24658	1.1
313.21634	9.9
321.24316	4.2
330.85614	0.9
331.22653	21.7
349.23764	13.3
349.74704	0.8
351.25662	0.9
367.24826	16.9
382.84518	0.8
405.26300	1.2
423.27448	23.5
437.25443	1.2
441.28497	100.0
442.29178	1.4
455.26306	2.8
459.29721	4.4
511.22998	0.9
620.27948	0.9
652.04852	1.8
652.31500	1.4
653.06000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01866	6.1
55.05515	21.4
57.03437	13.2
57.07067	5.9
59.05000	4.3
65.03966	2.0
67.05511	100.0
69.03439	22.9
69.07078	14.2
69.63425	10.2
71.04991	6.3
71.08624	1.8
79.05502	23.9
81.02985	2.7
81.03429	28.6
81.07065	53.1
83.04986	11.8
83.08610	12.9
85.02901	5.0
85.06523	2.7
86.25975	1.6
87.04492	2.7
91.05486	34.5
93.07056	33.0
95.04990	10.0
95.08614	38.3
97.02901	9.5
97.06541	4.8
97.10175	12.4
99.04463	4.6
99.08108	2.3
105.07045	21.7
107.04953	4.8
107.08604	23.4
109.02888	6.1
109.06519	5.2
109.10168	67.5
111.04453	6.2
111.08089	3.0
111.38158	1.6
115.05444	2.2
117.07034	11.9
119.08590	21.2
121.06521	4.4
121.10140	14.5
123.08084	3.5
123.11712	3.7
125.09641	7.2
127.03934	5.6
128.06224	2.9
129.05486	5.3
129.07022	7.5
131.08580	15.2
133.06468	2.9
133.10143	14.6
135.08067	6.3
135.11699	11.0
137.09624	4.4
137.13237	1.8
139.11186	2.9
141.06989	3.6
143.08565	9.5
144.06497	1.7
145.06479	1.9
145.10127	15.8
147.08093	2.2
147.11688	9.8
149.09622	3.4
149.13295	5.3
153.09140	1.6
155.08557	5.2
155.10696	5.2
157.06413	2.4
157.10126	7.7
159.08017	1.9
159.11691	9.2
161.09732	2.9
161.13293	6.3
163.14810	2.0
165.12766	1.9
167.08591	3.2
169.10175	4.3
171.11707	5.5
173.09590	3.2
173.11749	21.0
173.13263	7.1
175.11166	3.6
175.14795	5.1
176.15308	2.0
181.10155	2.7
183.11699	6.0
185.13306	6.0
187.14781	2.2
189.11235	7.2
191.14397	1.6
195.11740	3.5
197.13148	2.6
199.14754	3.5
201.12807	2.1
209.13460	2.0
211.14795	2.6
215.14240	2.2
227.12726	10.3
229.14362	51.3
233.15326	2.6
243.21152	2.0
245.13814	2.8
259.20496	3.9
261.22137	4.4
273.22015	2.1
277.21732	4.4
285.22177	3.3
299.14993	3.4
301.21683	6.7
303.23236	4.1
313.21457	2.1
319.22900	3.2
323.23499	2.4
327.23370	2.3
328.70920	1.6
335.25793	7.1
337.27200	3.9
341.24918	2.5
345.24286	4.6
351.23108	8.7
357.24036	3.1
369.24191	13.9
371.17023	2.9
371.25842	1.7
373.18576	4.2
387.25098	7.8
405.26395	5.9
443.28024	5.1
461.28989	7.7
479.30005	5.2
489.35751	6.9
547.36798	2.7
559.36542	2.2
573.37476	2.6
579.36908	2.0
597.37982	9.9
615.39209	14.1
633.39917	45.5
651.40839	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	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01862	5.5
55.05516	29.7
57.03444	12.1
57.07062	3.4
58.72482	1.9
59.04988	3.6
65.03934	4.7
67.05512	100.0
69.03155	2.1
69.03439	25.0
69.07073	18.7
71.04979	7.4
79.05067	2.8
79.05497	32.9
81.03426	48.7
81.07061	58.1
83.04987	21.4
83.08622	17.3
85.02893	4.9
85.06522	4.2
91.05498	31.9
93.07047	33.8
95.04975	9.5
95.08612	49.0
97.02894	17.2
97.06549	4.4
97.10191	13.4
99.04436	6.9
103.03883	2.1
105.07028	24.0
105.54389	2.1
107.04985	5.4
107.08608	27.2
109.02862	8.8
109.06520	5.4
109.10167	68.0
111.04456	6.8
111.08070	4.4
113.35857	2.0
115.05422	2.9
117.07026	11.7
119.08597	22.3
121.06523	3.9
121.10165	16.7
123.08070	1.9
123.11694	5.6
125.09643	14.2
127.03909	8.0
128.06282	3.7
129.05530	12.3
129.06992	10.2
131.08578	19.4
133.06494	3.0
133.10146	10.9
135.08041	4.7
135.11736	11.3
137.09636	3.4
137.13280	3.2
141.77885	2.4
143.08542	7.1
145.06450	4.3
145.10117	12.4
147.07956	1.9
147.11728	11.7
149.09615	4.4
149.13246	6.7
155.08565	4.4
155.10652	4.7
157.10155	6.2
159.11708	7.5
161.13257	7.1
167.08580	2.7
169.10147	6.1
171.11734	6.8
173.09656	2.5
173.11746	13.5
173.13292	6.5
175.11143	2.4
181.10216	2.4
183.11697	2.6
185.13245	3.9
187.14812	4.3
189.11295	13.2
189.12793	3.4
195.11725	3.9
197.13281	4.5
199.14832	3.4
213.12802	2.3
227.12709	16.0
229.14337	33.7
235.14983	2.4
245.13896	6.0
259.20651	2.3
261.22220	7.2
263.23627	3.8
276.87433	2.2
277.21753	2.8
283.20383	2.5
301.21561	3.5
303.23184	2.7
317.24817	2.4
319.22864	3.8
323.23608	2.5
327.23294	2.9
335.25916	20.2
337.27350	8.4
341.24750	2.5
351.23093	6.0
369.24161	10.6
371.16974	3.7
373.18628	12.0
387.25323	5.5
405.26346	3.6
427.98883	2.1
435.21317	2.1
443.27792	4.1
461.28860	6.7
479.30045	3.3
489.35718	8.9
499.21313	2.3
507.36911	4.3
517.22595	2.0
531.24500	2.3
559.23389	19.6
587.21808	3.0
597.37683	8.3
615.38641	10.7
619.25702	26.5
633.40125	31.2
651.27521	11.2
651.40399	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
54.18269	1.1
55.01871	4.8
55.05271	1.8
55.05518	24.1
57.03442	9.9
57.07088	3.6
59.05000	2.4
64.95168	1.2
65.03939	3.8
67.05508	100.0
69.03438	25.0
69.07077	15.2
70.96148	3.1
71.04990	5.5
75.63060	1.1
79.05499	34.3
81.03423	39.8
81.07061	55.0
83.04991	15.2
83.08634	13.7
85.02906	5.0
85.06541	3.6
91.05485	32.6
93.07049	38.1
95.04985	8.3
95.08615	34.8
97.02898	11.4
97.06549	3.3
97.10191	11.2
99.04467	3.7
99.08096	1.4
101.06044	1.4
103.05466	1.6
105.07038	23.3
107.04965	2.7
107.08603	21.1
109.02885	6.9
109.06517	3.2
109.10164	59.7
111.04453	5.7
111.08109	4.5
115.05466	1.4
117.07038	13.6
119.04936	1.4
119.08591	23.3
121.06506	3.5
121.10151	17.5
123.08080	4.1
123.11724	6.8
125.09653	7.2
127.03974	6.8
128.06256	2.1
129.05530	7.4
129.07005	8.3
130.07739	1.5
131.04926	1.7
131.08580	15.4
133.06523	1.9
133.10144	13.7
135.08089	4.1
135.11702	8.6
137.09622	4.9
139.11195	1.5
141.07051	3.2
142.07828	1.5
143.08571	9.6
145.06450	2.8
145.10118	13.0
147.08054	2.8
147.11690	9.8
149.09639	3.9
149.13275	6.1
151.11250	1.8
151.82028	1.2
155.08560	3.5
155.10669	4.4
157.10143	5.5
159.08133	2.4
159.11703	8.9
161.09621	1.3
161.13269	4.5
163.11224	1.9
169.10162	4.9
171.08093	2.7
171.11707	4.1
173.09651	4.2
173.11757	16.0
173.13280	5.2
175.11194	4.6
175.14775	2.5
177.12721	1.6
181.10164	2.3
183.11700	2.7
185.09682	1.5
185.13271	3.3
186.06741	1.5
187.11194	1.4
187.14792	2.4
189.11247	7.5
189.12785	1.7
195.11644	1.3
197.09549	1.7
197.11478	1.5
197.13205	3.4
199.11401	1.4
199.14857	2.4
201.16428	2.7
203.14404	1.6
207.13795	1.3
209.13275	1.6
211.11356	2.5
211.14839	1.7
213.12883	2.3
213.16554	2.1
215.14435	1.9
223.14780	1.7
227.12747	10.8
229.14360	30.1
243.21269	1.6
245.13745	3.1
245.22733	1.6
259.20660	1.6
261.22272	8.6
273.22098	3.3
277.21790	1.6
287.20224	1.6
289.21869	2.0
291.23199	1.9
299.14764	2.4
301.21634	4.6
303.23242	2.7
315.23184	1.4
319.22647	2.5
327.23453	3.7
335.25864	13.8
337.27386	6.6
339.23184	1.6
341.24670	3.5
345.24188	1.9
348.60233	1.4
351.23254	6.0
357.24207	1.9
369.24326	13.1
371.17090	3.6
371.25620	2.9
373.18591	5.5
387.25446	6.6
393.26523	2.6
405.26297	3.3
420.26309	1.8
443.27878	4.6
453.07623	1.3
461.29001	9.0
464.46118	1.4
479.29846	4.2
489.35760	8.9
507.36630	4.3
547.36591	1.7
555.36298	1.6
559.36176	2.7
597.37793	8.1
615.38885	11.1
633.40088	38.8
634.40350	1.9
651.40808	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	649.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69424	0.2
67.05509	0.3
69.48716	1.5
81.07035	0.4
91.05496	0.3
95.08623	0.4
98.20717	0.2
99.22216	0.3
100.85567	0.3
107.08582	0.3
167.41862	0.2
376.65100	0.3
389.17896	0.3
401.17654	0.5
402.18045	0.6
403.19043	1.6
405.20914	0.7
415.14923	0.4
415.19672	0.5
416.20322	1.3
417.21143	3.0
418.21600	0.8
419.22440	0.8
429.16983	0.8
429.21625	0.4
430.17999	1.2
431.17889	3.7
431.23169	1.0
432.19339	0.8
433.24417	2.6
434.24500	0.4
443.18503	0.5
444.18927	1.8
445.20132	6.3
446.20847	2.0
447.21860	1.7
457.20325	0.4
458.16974	0.4
458.82944	0.2
459.22327	5.9
460.22565	3.4
461.23492	3.6
472.18811	0.6
473.19284	5.7
474.20743	1.0
475.26230	1.4
477.23126	0.5
485.20236	0.4
487.20844	3.3
488.22165	0.6
489.22955	1.1
499.21628	0.3
501.22815	1.0
502.23840	2.9
503.24484	4.8
504.25748	0.3
505.21716	0.5
515.24915	1.3
516.25800	0.3
517.22321	0.6
518.24908	0.3
519.23407	1.2
529.25940	0.8
531.23853	0.6
533.22357	1.2
534.26941	0.4
545.22516	0.5
546.26178	0.8
547.27258	9.6
557.25494	0.6
559.23181	0.5
560.24176	0.6
561.24896	3.4
574.25867	0.7
575.26282	0.8
588.23914	0.4
589.28125	22.2
590.28217	0.6
591.26294	0.7
605.23749	0.7
606.27985	0.4
607.29175	2.7
617.27466	0.4
620.26550	0.4
621.30634	0.5
649.30225	100.0
650.30475	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41343	0.2
53.03946	0.3
53.45715	0.2
55.01879	0.4
55.05519	0.7
55.16231	0.3
57.03435	0.5
62.19824	0.3
64.31007	0.2
64.47121	0.3
65.03943	1.2
67.01892	0.4
67.05518	1.3
68.99788	2.0
69.03436	0.7
69.07076	1.3
70.22719	0.9
79.05505	2.1
81.03422	1.1
81.07066	1.6
83.04996	0.6
85.02921	0.7
91.05456	1.7
93.03418	4.3
93.07062	1.2
93.57929	0.3
95.04975	0.8
95.08607	0.7
97.02901	0.7
97.06544	7.3
103.15532	0.3
105.03403	0.4
105.07047	1.1
107.04963	1.8
107.08601	0.9
109.02899	1.4
109.06520	0.3
109.10169	0.5
111.04458	0.4
115.05479	0.4
117.07059	0.8
118.04173	0.4
119.04957	1.1
119.08599	1.0
121.02892	2.9
121.10172	0.4
123.04440	2.1
125.02463	0.3
127.03954	0.4
128.06256	0.7
129.07037	0.7
131.04956	0.7
131.08606	0.7
133.02884	0.7
133.06476	0.5
133.10080	0.5
134.03651	0.8
135.04443	2.3
135.08035	0.3
135.11681	0.5
136.05162	0.5
137.02327	1.9
137.05972	0.6
139.03893	0.6
141.07005	0.4
142.07791	0.5
143.08586	1.2
144.05727	0.4
145.06474	0.5
145.10152	0.7
147.04437	1.0
147.08067	0.8
147.11714	0.5
149.02361	8.8
149.03513	0.5
149.05945	0.4
150.03130	1.4
151.03906	0.5
151.56592	0.3
153.05504	0.4
153.07088	0.3
155.08566	0.5
156.05652	0.3
157.06526	0.4
157.10194	0.4
158.07234	0.3
159.04405	0.5
159.08125	0.4
159.11752	0.4
160.05251	0.5
161.05992	1.0
161.09642	0.7
162.03149	6.9
163.03928	12.5
164.04654	0.9
165.01854	8.7
165.06995	0.4
166.02567	0.6
167.03313	0.4
167.08569	0.6
168.00568	2.2
169.01350	1.1
169.06491	0.4
170.07257	0.3
171.08101	1.3
173.06009	0.8
173.09601	0.9
175.03954	0.8
175.07565	2.5
177.01889	0.5
177.05562	0.4
179.03360	1.8
179.08580	0.7
181.06566	0.7
182.07216	0.4
183.02919	0.9
183.08084	0.6
184.05270	0.3
185.05949	0.8
185.09641	0.4
186.01625	1.4
187.07655	0.6
189.01852	0.4
189.05519	0.4
189.09155	2.0
190.02611	2.3
191.03438	2.7
191.10635	0.3
192.04198	0.9
193.01350	22.9
194.02130	4.8
195.02905	1.5
195.08141	0.7
197.05966	0.4
197.09637	0.6
198.06825	0.3
199.07573	1.4
200.04677	0.5
201.09129	1.2
203.07146	1.4
207.02899	17.9
208.03740	3.1
209.04475	13.8
209.06453	0.6
210.05161	0.4
211.07593	0.5
212.04694	0.4
213.05525	1.0
213.09074	2.4
215.10626	0.6
217.08653	1.6
218.02086	1.0
219.10208	0.6
221.04323	0.5
223.07594	0.5
225.03906	1.0
225.09183	0.5
226.06264	0.6
227.07089	1.0
229.04959	0.5
229.08655	0.4
231.10219	0.4
235.02412	3.5
236.03159	1.7
239.07054	0.4
240.04234	0.6
241.04999	0.6
241.08598	2.9
243.10172	0.8
245.08133	1.3
253.03445	28.9
254.04033	7.2
255.06505	0.5
256.03650	1.4
257.04486	3.4
258.05334	1.7
259.09692	2.2
263.01865	0.8
268.03708	0.5
269.04803	0.5
269.08069	1.6
271.06055	0.6
273.07593	1.0
281.04413	0.5
282.05240	1.7
283.05957	0.4
284.03235	3.8
285.03973	5.3
286.04745	42.2
287.05472	0.4
287.09161	2.2
297.07397	0.4
299.05746	4.7
300.06305	3.9
301.07089	100.0
302.04337	0.3
302.07468	1.1
304.04602	0.4
305.10257	1.1
313.07101	0.8
315.08380	0.6
322.04739	0.6
324.06390	0.4
333.09744	1.0
337.07065	0.9
349.07001	1.3
351.10532	0.6
353.10287	0.4
355.11563	0.4
360.06393	0.4
363.08820	0.4
364.09296	0.6
377.06784	0.4
378.07330	0.3
379.11801	3.5
381.13336	2.5
388.05716	0.6
389.06659	2.1
403.08020	0.4
404.04816	0.3
405.06088	9.4
405.11429	0.5
406.06836	1.7
421.09235	10.3
421.14932	0.6
422.09689	0.4
447.10501	0.6
448.11743	0.4
459.10931	0.3
463.10574	0.4
464.11234	0.6
465.11871	3.1
485.11639	0.3
491.09711	0.6
517.14807	1.1
522.57214	0.3
525.15344	0.4
537.10388	0.6
543.16455	1.4
561.17535	4.6
569.14435	0.5
587.15289	0.6
615.14709	0.8
632.61115	0.3
633.16278	2.1
651.17108	1.1
651.32440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.05511	0.1
57.03431	0.4
58.81289	0.1
59.97392	0.1
61.02923	0.1
66.78999	0.1
67.04250	0.6
67.05527	0.1
68.05025	0.1
69.03083	0.1
69.03432	1.2
69.07066	0.2
70.06594	1.4
71.50883	0.1
73.02924	0.1
80.05021	0.3
81.03436	0.1
82.06580	2.6
82.49979	0.1
84.04509	0.2
85.02912	1.4
87.04478	0.4
88.03994	1.7
91.74896	0.1
93.07030	0.1
95.04977	0.8
95.08597	0.2
96.08143	0.1
97.02900	0.9
97.06499	0.1
98.06059	13.2
98.20986	0.1
100.07609	0.1
105.07030	0.1
107.04958	0.3
107.08600	0.2
108.04488	0.1
109.02870	0.2
109.06517	0.4
109.10159	0.1
115.03934	0.5
116.07099	4.3
121.06548	0.1
121.10152	0.1
123.04443	0.1
123.08105	0.1
126.05519	1.0
127.03916	2.7
128.04265	0.6
131.08537	0.1
133.04968	0.2
135.04440	0.5
135.08070	0.3
137.05971	0.1
144.06563	100.0
145.04982	0.1
145.06889	0.4
149.09631	0.2
151.07538	0.2
165.09106	0.1
177.09184	0.2
188.10620	0.2
189.12727	0.1
209.15413	0.3
211.03989	0.1
229.15910	0.2
247.16986	0.5
288.19754	0.1
307.08517	0.1
313.11499	0.1
334.20090	0.6
352.21194	26.2
353.21558	0.3
474.79941	0.1
503.25473	0.1
514.26526	8.4
515.26678	0.2
635.21497	0.1
646.30829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93969	1.2
53.70747	1.1
57.07080	3.4
61.18446	1.1
64.05888	1.1
65.70670	1.2
67.05531	2.9
69.07091	1.7
69.25741	11.6
71.08640	2.1
79.05489	2.0
81.07053	1.5
83.65076	1.2
93.07056	1.2
95.08621	2.0
98.20738	2.4
98.93936	1.2
105.07027	1.9
109.10175	1.6
109.21896	1.2
115.58823	1.1
123.11815	1.3
126.03889	1.2
156.36304	1.4
183.35127	1.3
210.61707	1.3
266.74295	1.4
303.15891	1.4
313.27344	1.4
333.20392	8.0
389.23154	5.3
423.64560	1.4
645.47046	100.0
646.47046	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
53.15983	0.5
55.01878	0.7
57.03438	2.7
59.05012	0.5
60.04526	1.0
61.02924	0.7
61.70375	0.4
67.05518	1.3
69.03434	10.3
69.07083	0.6
70.06601	0.6
70.19324	1.6
71.04987	1.2
73.02917	2.2
79.05501	0.6
81.03412	1.6
81.07063	1.6
82.06579	1.0
83.04973	0.8
85.02907	8.2
85.03392	0.8
85.98574	0.5
87.04475	4.0
88.03996	100.0
91.05484	1.6
93.07046	1.5
95.04974	4.0
95.08640	1.2
97.02894	6.4
97.06572	0.8
98.06059	1.8
99.04462	5.0
100.07626	1.0
105.07034	1.8
107.04966	7.5
107.08614	1.0
109.02874	1.3
109.06502	2.5
109.10146	2.7
115.03934	3.4
116.07098	1.1
117.07059	0.5
119.04939	0.5
119.08592	3.1
121.06487	2.3
121.10163	1.6
123.04485	0.4
123.08073	0.7
123.11720	1.0
125.05969	0.5
127.03922	12.5
127.07573	1.1
128.04263	3.0
131.08562	1.1
133.04993	1.9
133.06517	2.0
133.10138	2.9
135.08099	2.6
138.72632	0.5
140.07085	0.8
144.06561	16.8
145.04965	0.7
145.10100	1.2
145.80240	0.5
147.04405	0.6
147.08040	1.4
147.11703	1.5
149.09612	2.2
151.07570	2.2
158.08139	1.6
159.11734	0.5
161.09534	0.7
163.11198	0.5
165.09122	38.2
171.11740	3.0
179.10683	1.6
183.06459	0.5
187.11148	0.6
189.12755	9.3
191.10709	6.8
191.14297	0.7
205.12300	1.0
207.13799	4.3
209.11778	3.6
229.15909	4.1
247.16954	12.3
252.12350	2.6
265.17993	20.9
295.08615	0.5
296.14902	4.7
303.16064	0.9
306.20831	0.9
311.15430	0.5
334.20135	4.3
351.13193	0.6
352.21204	89.0
353.21677	0.9
381.92648	0.6
514.26508	57.6
515.26355	1.0
646.30841	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	645.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01870	0.6
55.82930	0.2
57.03445	0.4
61.02935	0.3
65.25882	0.2
68.99798	1.0
69.03085	0.3
69.03435	3.6
69.09885	0.2
69.52831	0.4
69.53239	0.9
70.92284	0.2
71.04990	0.3
73.02911	0.4
73.49886	0.2
76.09743	0.2
81.03428	4.8
83.04993	0.3
85.02912	4.2
87.00834	1.0
93.23936	0.2
97.02894	3.4
99.04464	1.6
105.01863	0.8
109.02893	8.9
111.04452	0.4
117.01892	0.2
121.02789	0.3
123.04494	0.2
125.02338	0.4
127.03930	100.0
128.04253	0.4
129.01854	0.8
141.01810	1.6
145.04950	1.7
147.02928	0.3
151.90042	0.2
159.02945	0.6
175.03987	0.4
189.03865	0.3
189.05534	0.3
213.03951	0.9
231.05080	1.2
235.05983	0.2
252.22893	0.2
273.06131	0.5
285.06097	0.3
339.07303	0.5
348.78317	0.2
357.08197	1.1
375.09314	0.7
391.35986	0.2
393.83029	0.2
438.50070	0.2
501.12796	0.2
519.35565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.5
57.06797	4.9
57.07081	100.0
58.04207	8.5
59.05011	41.4
62.43831	2.4
67.05490	11.7
69.07063	6.2
71.04994	3.8
71.08637	83.6
71.52512	4.9
72.05783	15.7
73.02903	10.0
73.06554	21.7
74.88488	3.0
75.04477	11.2
79.05492	7.7
80.45957	2.7
81.03432	3.1
81.07072	15.6
83.04996	2.7
83.08634	4.4
84.31881	2.4
85.06558	3.3
85.10188	62.1
85.47441	2.4
87.04487	33.7
88.05245	3.9
89.06037	31.8
90.01926	57.2
90.68199	3.1
91.05481	7.3
93.07049	6.8
95.08599	11.0
96.95419	2.7
97.06532	3.1
97.10169	6.7
97.52786	2.4
99.11728	8.6
103.07597	13.3
105.07026	8.0
109.10165	6.5
116.08369	3.9
117.09156	17.3
119.08570	4.2
131.07021	4.4
133.08589	16.4
133.10147	5.4
141.16373	3.2
145.10040	3.1
147.10217	4.3
152.15558	3.8
155.17920	6.4
177.11209	8.2
178.07150	9.6
179.12752	4.7
191.12703	2.8
193.12157	2.6
199.20552	3.8
208.15285	5.5
213.22098	6.6
222.09711	15.7
222.17125	4.4
223.15358	4.3
252.18071	4.7
257.24744	7.7
266.12274	3.1
266.19632	8.8
268.17618	3.9
271.16553	2.8
296.20612	5.8
310.22162	6.6
312.19846	4.4
316.06161	2.9
326.21896	5.8
340.23184	3.7
356.22824	5.0
362.32837	5.9
388.79504	2.9
406.35141	10.9
416.21158	7.9
429.75974	3.2
494.40634	21.7
510.39948	3.6
529.38684	4.2
547.39783	15.3
554.43396	3.9
573.05414	3.1
645.25970	74.5
645.45068	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	644.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
55.05523	1.8
57.07080	100.0
59.05008	29.7
63.91377	0.7
69.07075	2.8
69.66279	3.9
71.08636	97.4
72.08964	0.6
73.06565	1.0
76.74306	0.7
81.07079	1.0
83.08646	5.0
85.10188	93.5
87.04474	10.5
89.06037	77.5
92.29553	0.8
93.07052	1.3
95.08605	0.9
97.10205	0.9
99.11747	10.8
101.06005	0.9
101.09650	2.1
103.07598	1.2
107.07054	1.1
117.09140	6.2
127.45983	0.8
130.08638	1.9
131.07059	3.9
133.08615	57.3
141.15382	0.9
141.16403	12.0
147.10226	1.4
161.11729	0.8
175.09673	3.7
177.11237	24.4
191.12793	1.1
199.20584	26.2
220.02525	0.8
221.13823	5.4
239.14861	1.1
240.23073	1.6
248.70192	0.8
256.60809	0.7
257.22488	1.0
257.24777	11.5
265.16406	3.4
283.17392	2.4
309.19043	1.2
327.20062	1.6
353.21408	2.3
371.22812	20.6
411.25861	4.2
429.26599	3.3
457.29709	0.9
459.27567	1.1
469.29730	1.5
543.21875	0.8
627.46027	1.6
644.49335	6.2
666.96259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45370	0.5
55.05517	1.7
57.03437	0.5
57.07081	88.2
59.05007	15.2
67.05515	1.3
69.07082	2.3
69.22458	4.4
71.08638	65.5
73.06564	4.3
74.09725	0.7
74.92576	0.5
79.05499	0.9
81.07071	1.5
83.08589	1.1
85.06594	0.8
85.10191	55.3
87.04479	11.4
87.08118	0.8
89.06040	100.0
91.05482	0.9
91.07600	0.7
96.34325	0.5
97.10176	1.3
98.20775	1.0
99.11744	8.5
103.07589	6.2
107.07098	1.5
109.10174	0.7
113.13305	2.3
117.09175	3.2
129.09145	0.7
130.08649	3.3
131.07069	5.3
131.10721	0.6
133.08618	82.1
141.16377	2.7
155.17976	5.6
161.11739	1.0
175.09683	4.4
177.11238	35.5
179.12770	0.8
188.60886	0.5
191.12709	0.7
195.12152	0.5
199.20633	2.2
213.22116	5.9
219.12262	2.0
221.13866	9.2
237.13223	0.5
239.14900	2.1
257.24722	4.9
265.16418	2.2
283.17459	3.4
308.87503	0.6
309.19037	1.7
315.94986	0.6
327.20386	2.6
353.21729	1.4
371.22739	5.1
397.24185	1.8
398.70111	0.5
415.20148	1.0
415.25403	17.3
455.28571	3.4
459.27936	1.5
495.17081	0.6
497.17581	0.7
584.21552	1.0
585.23022	0.8
627.46979	2.7
644.24530	1.2
644.49524	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	643.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.6
69.07058	0.3
69.29861	0.2
70.77343	0.5
70.77695	0.4
79.05482	0.4
80.11216	0.2
81.07068	0.3
91.05463	0.2
95.08609	0.3
111.31845	0.2
127.04870	0.2
168.81573	0.3
173.07518	0.3
177.94139	0.2
180.25812	0.3
224.15559	0.3
228.29333	0.2
396.12268	1.0
397.12952	2.0
398.13797	0.8
399.14651	0.3
409.13144	0.7
410.13885	2.8
411.14545	5.9
412.15396	3.8
413.16202	1.9
414.16757	0.3
422.13708	0.3
423.14941	1.6
424.11337	1.1
424.16443	2.2
425.16330	11.4
426.16980	8.4
427.17691	1.5
428.18677	1.5
437.16913	1.2
438.13217	2.3
438.17621	1.1
439.13702	16.3
440.19299	4.5
441.19363	37.5
442.19547	1.5
450.13159	0.4
451.13467	0.5
451.18188	0.7
452.14453	3.1
453.15369	17.9
454.16064	4.6
458.15741	0.6
463.14182	1.2
465.15607	0.7
466.11926	0.5
466.17276	0.5
467.17200	26.9
468.17978	15.3
469.18893	13.2
470.19049	0.3
471.16623	0.7
472.17514	0.7
479.17264	0.3
480.17517	0.9
481.14804	13.9
482.15472	3.5
483.15710	0.3
484.17270	0.3
485.18661	0.6
486.19580	0.5
494.16937	0.5
495.17004	2.9
496.17224	11.6
497.18164	2.5
498.18652	0.7
499.20667	1.5
508.19873	0.7
509.17966	2.4
510.18686	0.4
511.19461	0.5
512.21045	1.3
514.22504	3.4
522.18256	0.8
523.19843	1.7
526.17981	0.3
527.23602	2.8
528.22858	0.3
537.19397	0.5
539.18988	0.6
540.20184	0.6
542.21741	0.8
545.24634	0.3
555.22461	29.8
556.22968	1.0
568.19373	0.8
582.21033	0.3
583.21936	100.0
584.22241	3.8
586.20648	0.6
587.25092	1.9
611.21515	2.1
614.23651	0.9
615.24646	12.2
616.24463	0.4
643.23987	80.5
644.24060	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.3
55.05564	0.7
57.03487	0.6
57.07134	0.4
61.11782	0.3
67.05574	1.9
69.03504	0.3
69.07141	0.9
70.63794	1.0
71.05067	1.0
71.08701	0.5
79.05576	1.0
81.07146	1.4
91.05569	1.1
93.07054	1.5
95.05058	0.3
95.08685	1.1
97.06626	0.3
104.65717	0.4
105.07160	0.9
107.08657	0.6
117.07129	0.4
119.08672	0.8
121.06680	0.4
121.10246	0.6
129.07176	0.4
131.08644	0.6
133.10248	0.4
135.11870	0.4
143.08607	0.3
145.10252	0.4
159.08275	0.3
159.11847	0.4
273.18893	0.4
335.25897	0.4
396.12396	0.8
397.13162	0.8
409.13403	0.5
410.13672	1.9
411.14633	3.7
412.15311	2.1
413.16360	0.9
423.14661	1.1
424.11417	1.0
424.16562	1.5
425.16245	7.8
426.16980	5.3
427.17596	0.8
437.16397	0.7
438.12390	1.9
439.13376	6.5
439.19208	0.7
440.18863	2.7
441.19327	23.9
442.19797	1.2
451.13657	0.5
452.14401	2.5
453.15359	8.5
454.16101	1.9
456.18500	0.4
457.15271	0.4
458.16235	0.5
465.15494	0.3
466.17715	0.4
467.17239	19.8
468.17905	9.2
468.24142	0.6
469.18912	10.9
472.17853	0.6
480.15540	0.3
481.14859	12.3
482.15497	2.3
485.18530	0.6
495.15857	2.1
496.17285	12.0
497.17993	1.9
498.18915	0.5
499.15607	0.4
508.19577	0.7
509.18259	1.5
510.19168	0.4
512.20520	0.7
514.22430	0.7
523.19995	1.2
527.23358	1.8
537.19635	0.8
542.21942	1.5
545.38287	0.6
547.26099	0.5
555.22467	17.4
556.23108	0.9
568.19507	0.8
573.23590	0.4
583.21960	100.0
584.22302	4.3
587.24603	0.7
593.26520	1.2
611.21222	1.1
614.23315	0.5
615.24646	7.4
625.29352	2.4
625.44421	0.6
642.45380	0.6
643.23865	28.4
643.45782	1.8
644.23456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76150	2.8
55.05515	10.2
55.23585	2.6
55.55298	2.4
55.65713	2.3
57.07082	22.9
59.04998	11.9
67.05511	21.0
69.07069	9.1
71.08643	21.6
71.52350	2.9
71.84766	2.8
79.05490	14.3
81.03446	2.9
81.07066	18.1
81.66153	2.7
83.04998	4.3
83.08620	6.1
85.06528	3.7
85.10198	11.9
89.06059	5.5
91.05501	11.7
93.07066	15.3
95.04985	8.2
95.08604	13.6
97.10204	7.6
99.08077	3.2
103.03951	3.7
103.05404	2.6
105.07040	6.8
107.08624	10.0
109.06554	8.5
109.10194	7.1
113.06009	3.6
113.13329	2.7
117.07037	4.1
119.08598	6.5
121.06540	2.8
121.10181	5.6
122.23647	3.0
129.07050	5.2
131.08618	7.7
133.10153	7.0
135.08095	4.7
143.08609	3.5
145.10130	6.6
147.11722	4.8
157.10146	4.1
159.11719	6.2
163.11282	3.5
173.13251	3.0
177.11351	3.2
179.03549	2.7
193.74181	2.7
233.22102	3.0
233.24393	3.1
270.65097	3.1
273.18521	5.3
291.19482	17.8
302.12784	3.3
335.25937	13.4
353.17703	2.9
365.23193	5.3
367.19525	4.0
395.18259	4.4
400.35794	2.9
409.20294	9.1
410.20914	3.7
421.20270	4.9
423.21829	10.3
435.22211	5.1
443.21970	6.0
451.25406	3.0
454.21744	3.6
479.24451	4.4
481.22299	8.6
494.23322	5.3
496.24344	8.7
497.25360	10.2
503.23822	3.6
511.26999	7.5
512.27582	9.6
523.22687	3.2
524.24304	3.4
527.26508	3.3
539.26514	33.2
545.38361	7.2
557.27856	4.5
567.26019	26.3
581.27399	4.3
583.25647	15.3
599.28680	100.0
601.26202	7.5
611.25122	31.3
625.26270	5.6
625.44867	16.2
643.27301	26.2
643.44806	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	644.459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53980	1.6
55.05318	1.5
55.05520	17.0
57.03434	6.1
57.07074	5.6
59.05020	15.5
67.05513	16.6
69.07080	76.4
69.63845	2.8
69.64236	10.1
71.04989	8.6
71.08642	2.1
73.06550	3.3
79.05508	14.9
81.07070	23.9
83.04987	6.0
83.08633	17.9
85.06561	3.4
87.04481	5.7
87.08115	2.0
89.06041	39.8
91.05477	6.8
93.07058	36.9
95.04961	2.0
95.08614	23.1
97.06552	31.9
97.10197	2.7
98.20728	1.8
99.08117	2.6
101.06012	3.3
105.07035	3.9
106.35501	1.8
107.08619	36.5
109.10170	18.2
111.08097	9.7
111.11752	8.1
115.07565	3.6
117.09143	5.0
119.08595	2.7
121.10110	1.8
127.03932	2.2
131.07030	2.5
133.08630	21.9
133.10158	2.3
135.11716	83.2
149.13289	4.1
153.12769	100.0
171.13829	95.6
177.11241	13.6
197.15324	9.9
211.16905	4.7
212.16319	1.9
215.16408	2.4
227.16359	2.4
229.18048	36.4
272.66208	1.9
283.17557	11.0
287.22226	20.2
323.20648	2.0
341.21561	4.7
419.79471	1.7
435.29684	1.9
447.27353	3.0
644.45758	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	642.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05520	9.2
57.03445	5.2
57.07080	25.4
65.03941	1.7
67.05511	26.4
69.07079	11.2
70.63232	1.5
70.63554	1.7
71.08638	22.9
72.50758	0.9
72.59032	1.2
79.05502	16.5
81.03434	1.8
81.07063	31.6
83.04987	5.0
83.08624	11.8
85.06567	2.1
85.10185	11.6
89.06008	1.1
91.05489	12.1
93.07053	21.1
95.04961	4.3
95.08614	24.2
97.06528	4.2
97.10153	4.4
99.08105	3.4
105.07042	8.6
107.04953	1.5
107.08599	8.5
109.06491	2.3
109.10168	10.8
111.08079	2.6
117.07056	5.7
119.08587	4.2
121.10143	4.6
123.11685	2.7
131.08568	3.9
133.10152	6.0
135.07985	1.1
135.11696	4.0
137.13173	1.2
141.75308	1.1
145.10107	1.3
147.11716	1.8
149.13289	6.8
151.11201	4.7
159.11697	3.4
161.13280	1.1
163.11177	2.8
165.12779	1.1
175.14970	1.0
177.12740	2.4
179.14288	1.0
183.17276	0.9
195.13786	2.4
227.12744	1.1
239.23695	3.1
251.16426	1.5
259.20673	2.2
269.17514	9.5
277.21719	5.5
313.27408	28.4
346.37610	1.1
351.25296	8.3
467.37509	1.6
507.40509	100.0
589.48206	6.0
642.52838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
51.32656	0.3
53.03935	1.3
53.60188	0.3
55.01860	1.5
55.05488	0.6
57.03405	0.4
65.03938	3.3
67.05487	1.6
68.99787	0.5
69.03420	1.1
69.07059	0.6
69.46183	1.6
69.46588	0.6
70.06580	0.7
71.04976	0.7
73.46291	0.3
78.04703	3.0
79.05511	3.1
79.15024	0.3
81.03411	0.7
81.07042	1.7
82.04168	0.8
85.02905	2.7
85.06498	0.5
89.03896	0.4
91.05491	4.4
93.03402	1.7
93.07048	2.4
95.04975	2.6
95.08606	1.1
96.08918	0.4
97.02883	1.4
97.06514	1.4
98.20672	0.6
98.93753	0.3
99.04469	0.5
99.77504	0.3
100.75095	0.3
103.05483	3.7
105.04542	0.4
105.07050	1.9
106.04212	1.8
107.04966	4.2
107.08620	0.9
108.02110	0.5
109.02895	0.7
109.06531	0.5
109.10162	0.7
110.03682	1.8
111.04453	1.2
115.05470	6.2
117.03374	0.8
117.06237	0.6
117.07029	8.5
119.04946	0.8
119.08582	0.9
121.02814	0.6
121.06525	2.7
121.10146	0.9
123.03578	0.6
123.04449	8.5
123.08041	0.7
124.05234	2.5
125.05998	1.3
127.03934	0.9
127.05417	1.4
128.06248	0.5
129.06961	0.7
131.04939	2.8
131.08572	0.4
133.02853	0.6
133.06496	1.5
133.10123	0.5
134.03621	0.9
135.04437	1.4
137.05965	2.9
138.03104	0.9
140.04674	1.3
142.02628	1.2
143.04962	0.9
144.05653	0.6
145.02798	1.7
145.06497	12.3
145.10172	0.5
147.04433	1.8
147.08054	1.1
147.11661	0.5
148.05203	1.3
149.06006	3.5
151.03914	1.3
151.07556	1.5
152.04707	3.0
153.05423	1.8
155.04947	0.5
155.06062	5.3
155.07176	0.8
157.05223	0.4
157.06442	0.4
159.04437	0.7
160.05205	0.6
161.06010	1.8
162.03171	0.4
163.03920	1.1
163.07562	1.2
165.05492	1.0
165.09019	0.4
167.07053	100.0
168.04251	0.6
168.05716	0.4
168.07370	1.1
171.06538	1.6
173.06003	22.4
175.07533	1.4
176.04665	0.5
177.05487	6.1
178.06073	0.4
179.07068	0.9
181.04973	50.3
181.08340	1.7
190.06274	0.6
191.07072	3.2
193.08658	0.9
195.06558	1.3
201.05493	0.9
203.07030	2.1
205.08598	6.3
207.06581	1.0
207.10092	0.7
209.08011	2.6
213.05423	0.5
217.08539	0.5
219.06444	0.9
221.08064	0.4
222.06775	0.5
223.47478	0.4
231.06575	0.9
233.08025	6.2
235.07542	0.6
235.09692	6.2
237.09137	0.4
249.08972	0.4
263.07025	0.5
265.08640	0.9
267.10260	0.5
271.60583	0.4
280.07135	0.5
281.08191	0.5
282.08755	0.4
286.04813	1.6
287.05359	0.5
295.09662	0.5
297.11255	1.1
301.07028	2.2
305.19687	0.5
310.08276	0.8
312.09839	0.5
314.44791	0.4
321.07263	0.5
323.08865	0.5
325.10657	1.8
326.11560	0.8
342.10733	0.6
353.10141	0.8
354.11279	0.5
357.13373	5.9
367.11667	0.4
370.10425	0.5
381.13034	0.6
383.11075	0.5
385.12836	31.0
386.13504	1.0
387.14365	5.1
399.14316	1.2
415.13968	0.6
417.15463	12.1
418.15576	0.5
432.95963	0.4
558.69183	0.4
613.22522	0.5
643.23834	58.6
644.24115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01871	1.6
55.05524	6.6
57.03444	2.3
59.04970	1.2
61.02929	2.8
67.05516	16.7
69.07072	6.7
69.45423	2.4
69.45824	5.6
69.73619	1.3
71.05032	1.6
79.05499	14.2
81.07072	17.3
83.04978	2.7
83.08637	2.7
85.02905	2.8
91.05491	16.3
93.07058	14.1
95.04955	1.6
95.08617	10.1
97.02899	1.3
97.06530	2.0
97.10165	2.0
103.05528	1.5
105.07046	14.0
106.54095	1.2
107.04919	1.0
107.08589	8.5
109.06541	1.5
109.10172	3.7
111.08063	1.4
115.05471	1.1
117.07043	8.0
117.07730	1.3
119.08601	10.7
121.10158	4.8
123.08092	1.1
125.09620	1.4
128.06239	1.8
129.07024	7.7
131.08578	17.5
133.06490	1.2
133.10156	6.7
135.08081	1.5
135.11765	2.6
137.09692	1.6
141.06953	2.5
143.08600	5.7
145.10135	9.1
147.11725	3.3
149.09639	2.3
155.08571	2.4
157.10156	3.4
159.11737	4.2
161.68137	1.1
163.11151	1.4
169.10149	3.7
171.11711	3.2
181.10117	1.5
183.11711	2.1
185.13234	1.7
195.11723	2.5
197.13257	2.0
223.14842	1.5
233.15416	1.6
234.63440	1.1
241.16058	1.1
247.16983	1.9
275.19946	1.4
335.23633	1.9
353.24741	3.0
371.25735	4.9
389.26910	5.5
445.29587	100.0
446.29861	2.0
463.30557	23.1
577.79388	1.2
642.30170	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
57.03431	1.9
57.07081	100.0
59.04716	2.1
59.05006	36.6
63.61916	0.9
67.05500	4.4
67.44898	1.0
69.07059	4.1
69.29160	8.5
70.06598	4.8
71.04984	3.8
71.08640	69.1
79.05505	3.5
81.07068	5.3
82.80344	0.9
83.08629	4.6
85.10191	59.6
87.04465	2.2
89.06035	19.5
91.05479	1.7
93.07040	2.3
95.04901	1.2
95.08605	3.5
96.08112	1.4
97.10184	5.9
98.06065	1.2
99.11739	11.7
101.09642	4.8
103.07563	1.4
105.07036	1.6
105.17313	0.9
107.04911	0.9
107.08585	3.6
109.10150	3.1
113.13299	5.4
117.09142	15.1
124.07610	10.3
125.09634	2.9
133.08607	16.0
135.07990	1.1
135.11743	1.4
142.08662	4.6
147.10292	1.3
147.11638	1.0
155.17947	9.8
175.13281	1.1
177.11160	2.5
189.11224	2.1
194.76552	1.0
210.08055	1.0
213.22162	22.4
213.24229	1.1
214.22536	1.1
221.13879	2.0
227.12741	8.3
239.14909	7.7
254.24672	1.2
271.26331	25.6
297.19092	3.6
317.68735	1.0
329.30576	1.5
355.23242	4.3
365.23239	1.1
483.36874	1.5
545.38812	1.2
642.53033	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
67.05511	2.0
69.07063	0.4
70.55164	0.4
71.52019	0.6
78.10617	0.4
79.05503	1.2
81.03434	0.9
81.07058	2.6
83.08639	0.6
90.12653	0.4
91.05480	0.7
93.07050	1.3
95.04981	0.5
95.08630	1.0
95.99230	0.4
97.06555	0.5
97.10197	0.6
98.74374	0.4
105.07068	1.1
107.08597	0.8
109.10175	0.7
117.06995	0.5
119.08571	0.8
121.10139	0.5
129.07016	0.8
131.08624	0.7
133.10129	0.5
145.10104	0.7
147.11754	0.6
167.08533	0.4
179.14345	0.5
183.26862	0.4
223.12302	0.4
225.10214	0.4
259.09750	0.5
275.20175	0.6
277.21674	0.5
286.98828	0.5
349.23810	0.6
377.17923	0.8
378.18338	0.4
379.19254	0.6
383.87292	0.4
391.19507	1.3
392.19977	0.7
393.20865	2.1
405.16550	1.9
406.17871	1.2
406.22415	0.6
407.22604	4.4
408.23694	0.8
419.18433	2.7
420.19312	1.6
420.24182	0.5
421.20294	5.4
421.24649	0.4
423.21906	0.9
432.19180	0.5
433.20377	4.5
434.21143	4.1
435.21991	8.9
436.22729	1.3
447.21967	1.4
448.18585	0.6
449.19611	9.9
461.23386	0.4
462.20825	1.3
463.20990	3.9
464.22208	1.8
467.24783	1.1
476.21878	0.6
477.23102	1.0
479.24884	0.8
481.22635	1.6
493.21988	1.1
494.23138	3.5
495.23709	3.8
505.22159	0.5
507.24142	3.2
508.25031	0.5
521.25665	9.0
523.27515	0.9
535.23083	1.9
539.22687	0.8
543.36749	2.7
549.24902	1.2
553.26923	0.8
563.26324	0.9
567.26007	1.0
581.27698	31.7
582.28278	0.8
595.25281	2.2
609.27130	1.4
641.29749	100.0
642.30017	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
51.65548	0.5
55.05509	0.6
57.07087	0.6
61.82016	0.4
63.22698	0.4
64.42275	0.5
66.59437	0.4
67.05504	1.0
69.07077	0.6
69.85143	1.6
69.85556	1.1
77.32770	0.4
79.05496	1.0
80.82764	0.4
81.07043	1.1
91.05475	0.9
93.07034	0.7
95.08620	0.7
99.11609	0.4
105.07059	1.1
107.08619	0.9
119.08568	0.6
131.08540	0.8
133.10138	0.6
185.10789	0.5
188.03535	0.6
196.10019	0.6
197.10840	0.7
210.11436	0.7
211.12320	1.1
223.12286	1.1
224.13086	1.2
225.13913	1.3
227.11911	1.4
237.13937	0.7
238.14772	0.7
239.15532	1.2
240.16325	0.7
251.15349	0.6
252.16249	0.6
261.13791	0.4
290.16476	0.7
298.13544	1.0
307.10974	0.8
311.13989	0.6
313.15726	1.1
314.16638	0.7
317.16220	0.6
318.16168	0.7
319.16837	1.4
332.17633	0.7
333.18332	0.7
334.19220	0.8
344.17621	0.8
346.19180	0.6
370.15866	0.6
375.19449	0.6
378.18143	0.6
384.17102	1.6
389.17874	0.9
390.21710	0.6
391.19113	0.9
392.19843	1.9
393.20645	1.4
401.17883	1.1
402.18442	1.0
403.19269	1.8
404.20053	1.7
405.20944	1.9
406.16406	0.4
406.21368	2.8
407.22372	3.5
412.16782	1.4
415.19400	1.5
416.20071	2.0
417.20993	2.9
418.21924	2.2
418.26505	0.5
419.22437	2.8
420.22900	1.9
421.23785	3.4
422.24481	4.3
427.19232	0.6
428.19910	0.7
429.21286	2.2
430.21539	1.4
431.22769	3.1
433.24237	5.0
434.24850	4.0
435.21960	0.9
443.22711	1.1
444.18527	2.8
444.24524	0.7
445.24960	3.7
446.24899	1.6
447.17587	0.6
447.25595	1.6
448.19266	0.8
449.23672	0.9
458.20413	0.7
459.21298	3.7
460.23059	2.6
461.19174	1.1
462.20517	3.7
463.21170	3.9
472.22784	0.8
473.23523	3.4
474.24063	1.9
475.21268	3.9
476.22067	2.7
477.22910	13.1
485.23853	1.1
486.23831	0.6
487.25070	4.0
489.23056	1.5
491.24567	3.8
503.24515	1.1
504.25507	0.8
505.26114	2.9
506.26837	2.4
515.24457	1.9
517.22363	0.5
518.22992	0.6
519.27539	2.6
523.27283	1.1
531.23877	0.8
532.24646	1.1
535.22870	2.5
545.25513	7.2
546.26013	0.9
547.27081	12.3
549.25037	9.5
550.25751	13.4
563.26666	3.1
564.27167	2.6
565.28552	1.0
577.28308	0.6
579.29810	7.1
581.27332	1.0
591.26080	12.8
605.27643	16.0
609.26953	9.5
623.28674	100.0
624.29016	2.5
641.29761	8.1
641.41199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2975
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01865	0.7
55.05501	1.7
67.05502	2.4
69.73664	2.9
79.05504	2.6
80.80413	0.5
81.07042	2.6
83.04950	0.6
91.05488	1.4
93.07050	2.0
95.04960	0.9
95.08613	1.7
97.06525	0.8
101.85348	0.6
104.23161	0.5
105.07028	1.8
107.05007	0.6
107.08588	1.5
119.08576	1.4
120.04508	0.5
121.10117	0.7
122.09635	0.8
129.06992	0.5
131.08624	0.7
132.08095	0.6
133.10147	1.4
142.01637	0.5
146.09679	0.6
147.11671	0.5
183.09274	0.7
185.10814	1.2
187.12318	0.8
196.09914	0.9
197.10735	1.0
207.09097	0.7
209.10788	1.5
210.11592	1.1
211.12320	0.9
221.10823	0.8
223.12291	1.1
224.13142	1.2
225.10301	0.7
225.14050	2.7
225.16101	0.7
227.11952	1.6
233.10637	0.6
237.13954	2.5
238.14851	0.9
239.11787	1.1
239.15483	1.6
240.16528	0.6
249.13791	0.9
251.15569	0.8
253.13379	0.6
269.12921	0.9
275.19901	1.2
277.15668	0.7
279.11365	0.8
286.13693	0.6
290.16681	2.1
292.18130	1.9
298.13821	0.5
300.15079	1.5
301.16122	0.6
302.13199	0.6
304.14679	1.0
304.18094	2.1
305.15527	0.6
305.19012	1.5
307.10846	0.9
312.14929	0.6
313.15601	2.1
317.15494	0.9
318.16144	1.5
319.16901	2.0
321.12521	0.6
327.13846	0.6
330.15982	0.9
332.17447	0.8
333.18411	1.0
342.15991	0.8
343.17825	1.1
344.17850	1.2
346.19083	1.4
347.19781	0.8
348.20740	1.0
353.15363	0.7
354.12582	0.9
369.15030	0.9
370.80463	0.6
375.19901	0.6
376.17728	0.6
384.17188	2.9
390.18317	0.8
391.18997	1.8
392.19769	3.6
393.20767	1.9
401.17581	0.8
403.19385	0.8
404.19788	1.6
405.20889	2.1
406.21439	4.4
407.22198	6.1
408.23306	1.1
412.16571	1.3
416.20047	1.0
417.21063	1.4
418.21542	1.8
419.15161	0.6
419.22217	2.2
420.23322	2.6
421.23868	7.9
422.18982	1.0
422.24350	7.3
426.18457	0.8
427.19116	1.0
429.20926	1.7
430.21967	1.0
431.22305	1.9
433.24103	1.9
434.17816	1.6
434.24506	6.4
435.21844	1.9
444.18845	5.1
447.21994	1.3
449.23410	1.7
451.21567	0.9
458.20270	0.7
459.21649	1.7
460.22723	1.6
461.23999	1.0
462.20245	2.9
463.21298	10.6
466.23563	0.7
472.22525	1.0
473.23508	2.1
474.24316	0.8
475.21454	4.1
476.20911	2.5
477.22958	5.1
479.24722	0.8
487.25000	2.3
489.22961	1.7
490.24118	0.8
491.24371	3.4
494.26990	2.8
495.27570	2.0
505.25977	1.5
506.26816	0.9
507.24304	0.7
508.22708	1.7
517.22504	1.7
518.23474	1.4
520.21045	0.9
521.25769	1.3
523.27014	1.1
531.24109	1.0
534.22510	1.3
535.23987	1.2
545.25598	7.0
547.27026	9.4
549.24988	15.6
550.25769	5.1
559.23401	0.8
561.21411	1.7
563.26672	5.6
564.27362	1.5
565.28302	0.9
576.24176	0.8
579.29663	1.9
581.27582	1.8
591.26056	39.1
595.29095	1.2
605.27594	6.4
608.26404	1.1
609.27142	17.5
623.28705	100.0
624.29333	2.2
641.29736	18.8
641.44202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.297
Annotation	Crooksiine
Peak:m/z	Relative Intensity
67.05511	1.5
79.05478	0.6
81.07061	1.4
88.49544	0.5
91.04402	0.5
91.05486	1.0
93.07027	0.9
97.81226	0.5
98.21536	1.2
105.07028	0.9
107.08604	0.8
108.08062	0.5
125.09574	0.5
131.08574	0.7
133.10199	0.6
145.10052	0.5
239.12071	0.6
251.11975	0.6
314.12888	0.6
325.15491	0.6
391.19116	0.6
405.21024	1.2
406.21759	0.8
419.18457	2.5
421.23898	0.8
432.19504	0.7
433.20633	3.3
434.21234	1.1
446.17487	0.7
447.22507	1.2
448.22809	1.0
449.23511	1.2
461.19620	9.7
461.24695	0.7
462.20367	3.6
463.21338	0.8
465.19275	1.7
467.24649	2.1
475.21466	0.8
476.22113	2.2
477.23022	2.6
479.20856	1.1
480.21588	1.1
493.22556	1.6
494.22763	2.9
495.23810	1.1
507.23065	0.9
521.21930	0.9
535.26910	1.5
543.36578	0.6
548.24200	3.6
549.25012	1.0
553.27960	0.9
563.26648	5.9
565.25208	0.7
581.19324	1.0
581.27722	10.0
608.26489	2.1
609.26819	1.6
623.28119	2.5
623.42914	0.7
641.29724	100.0
642.30145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05560	0.2
67.05545	0.2
69.07138	0.2
71.52280	0.2
71.52644	0.2
73.45833	0.1
76.06365	0.1
79.05511	0.2
80.03765	0.1
81.07082	0.3
91.05540	0.1
93.07104	0.2
95.08633	0.2
108.08167	0.2
197.10889	0.1
249.10469	0.2
328.14584	0.3
365.17740	0.2
377.17590	0.7
378.18692	0.5
379.19293	0.6
380.20282	0.3
390.18411	0.3
391.15024	0.2
391.15915	0.2
391.19540	1.1
392.20282	0.6
393.16635	0.2
393.20917	1.5
394.21878	0.2
395.22284	0.2
404.20407	0.3
405.16507	2.2
405.21182	0.6
406.17361	1.3
406.22495	0.3
407.18481	0.8
407.22821	3.9
408.23422	0.7
409.24091	0.2
418.17981	0.5
419.18338	3.2
420.19333	2.0
421.20328	4.4
422.21133	0.3
423.21841	1.4
432.19626	0.3
433.20227	4.5
434.21359	3.8
435.22021	7.5
436.22803	1.1
437.23770	0.4
447.22751	1.6
448.18152	0.3
448.22968	0.6
449.19568	8.5
450.20300	0.3
453.22992	0.2
461.23590	0.6
462.20151	0.9
463.21127	3.0
464.22214	1.8
465.19370	0.8
466.23703	0.4
467.25037	0.7
468.25702	0.2
475.21320	0.3
476.22055	0.3
477.22870	0.8
479.20184	1.2
480.21201	0.3
481.22009	1.9
489.23004	0.3
493.21713	2.1
494.23090	3.0
495.23779	3.1
496.24832	0.4
506.23285	0.3
507.24109	1.9
508.24234	0.2
509.25964	0.3
521.25830	9.5
522.26276	0.4
523.27081	0.7
525.22205	0.2
526.25781	0.4
535.22693	0.7
539.22229	1.2
543.37225	0.2
549.24609	0.7
550.26074	0.4
551.26837	0.3
552.24170	0.2
553.25421	0.9
563.26910	1.2
567.26312	0.4
580.26501	0.4
581.27655	20.2
582.28162	0.8
594.27332	0.2
609.27704	0.7
613.30096	0.4
623.28088	0.3
641.29700	100.0
642.29962	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2975
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05509	1.6
56.74781	0.5
67.05508	3.4
69.07078	1.4
69.14787	5.0
79.05499	2.3
81.07048	3.4
83.05005	0.7
83.08620	0.7
89.06023	0.8
91.05496	2.5
93.07053	1.4
95.08627	1.5
97.10191	0.6
98.20787	1.2
105.07044	1.6
107.08591	1.5
109.06522	0.8
109.10183	1.0
117.07036	0.9
119.08596	1.7
121.10165	1.3
133.10158	0.7
135.11758	0.8
143.08556	0.7
145.10181	1.2
161.13303	0.6
224.12791	0.7
275.19989	0.8
290.16312	0.7
291.19434	1.0
348.02396	0.7
387.16183	0.8
389.17780	1.7
391.19330	1.0
392.19962	1.0
401.17746	1.0
402.18585	1.1
403.19281	2.8
404.20358	1.3
405.20898	1.7
406.21701	0.8
407.22424	1.6
415.19281	2.2
416.20123	2.5
417.20895	3.3
418.21585	1.8
419.22745	1.2
420.23083	1.2
421.24097	1.4
429.21213	3.5
430.21844	2.4
431.23056	3.8
432.23407	0.9
433.24136	5.4
435.22116	1.7
443.22421	2.0
444.23615	1.4
445.19058	0.9
445.24960	3.2
446.25082	1.4
447.25717	2.0
448.18823	0.9
449.23557	1.4
458.25357	1.3
459.21521	2.4
459.26691	0.9
460.22913	3.0
461.19824	2.6
462.20544	4.1
463.21039	4.1
472.22870	1.2
473.23459	4.1
474.24155	2.7
475.21286	5.9
476.22391	2.8
477.22888	15.3
485.23178	1.6
487.18030	1.0
487.24826	5.8
489.22940	2.0
490.23608	1.0
491.24695	4.2
492.25375	0.8
495.27710	0.8
503.24448	1.7
505.26089	2.3
506.26938	2.1
515.24292	1.5
518.22894	1.3
519.27612	3.1
523.27283	0.9
531.24036	0.9
532.24841	1.3
535.22852	2.9
545.25629	8.3
546.26019	1.1
547.27136	15.7
549.25006	11.4
550.25763	15.8
561.21680	0.7
563.26569	3.4
564.27496	2.2
577.27783	1.5
579.29840	8.2
591.26007	13.2
605.27625	19.9
606.28107	0.8
609.27319	0.8
613.45087	0.8
623.28693	100.0
624.28577	1.6
638.67651	0.6
641.28979	2.4
641.44305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.6
57.45628	0.4
59.69830	0.4
67.05527	1.4
69.07094	0.5
71.52412	0.5
73.14115	0.4
79.05521	0.7
81.07096	0.9
82.97385	0.4
91.05538	1.0
93.07063	1.0
95.08672	1.1
105.07051	0.7
107.08641	0.6
109.10197	0.6
119.08662	0.7
151.25522	0.4
177.12526	0.4
396.13223	0.5
407.11752	0.5
408.12296	1.3
409.13559	1.0
410.14789	1.0
411.15451	0.8
414.14331	0.7
421.12842	2.5
422.13815	6.6
423.14795	3.0
424.15701	2.0
425.16553	1.2
428.16125	1.0
429.16779	0.7
434.13513	0.5
435.14731	3.8
436.15469	5.6
437.16394	8.9
438.17642	2.3
441.15948	0.8
449.16516	2.3
450.17700	2.8
451.18744	4.0
452.18436	1.7
455.17767	0.6
456.15683	0.4
457.15912	0.6
463.14185	1.7
464.14587	3.6
465.15500	3.3
465.20050	2.1
466.16711	1.5
467.17450	1.0
468.13663	0.5
469.15051	2.0
477.15747	1.3
478.16507	3.0
479.17276	3.8
480.18408	3.0
481.19266	0.6
482.15964	0.8
483.17038	0.5
484.18024	0.6
491.13788	0.6
492.18228	0.7
493.19305	6.6
494.20688	2.4
495.16483	6.0
496.17413	1.9
498.15454	2.3
506.15927	1.3
507.16861	2.7
508.17441	8.3
509.18365	6.2
510.14996	1.0
512.17029	6.2
513.18036	0.5
520.17328	0.6
521.18280	12.7
522.16101	3.4
522.18756	3.3
523.19873	0.6
524.16272	0.6
525.19250	0.6
526.14893	2.9
535.16119	0.5
537.17877	0.6
538.18524	0.6
539.19061	1.9
549.18286	1.9
550.20154	0.5
552.20013	0.5
553.20923	4.4
581.20355	61.8
582.20770	1.4
599.21387	9.2
609.19739	1.6
622.22894	5.5
623.43921	0.7
641.22369	100.0
642.22247	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95711	1.9
53.03929	4.0
55.05296	2.8
55.05516	21.6
57.03446	23.9
57.07081	45.9
61.05581	1.8
61.59635	1.8
67.05181	3.0
67.05511	39.2
69.07072	24.5
71.05009	3.2
71.08638	29.1
71.54363	3.8
77.64204	1.8
79.05505	30.7
81.07066	50.4
83.04977	2.2
83.08630	22.7
85.06551	2.6
85.10197	18.0
89.06067	3.2
91.05489	43.0
93.07054	34.4
95.04980	4.3
95.08612	44.7
97.06523	5.5
97.10164	11.3
99.08083	5.2
103.05454	2.3
105.07035	46.8
107.04949	2.4
107.08583	21.5
109.06509	3.3
109.10155	14.9
111.08095	3.3
117.07033	19.5
119.08588	29.6
121.06528	3.9
121.10135	13.6
123.08010	2.5
123.11703	3.2
124.64568	2.5
125.09641	4.9
129.07022	14.0
131.08589	29.6
133.10136	19.5
135.08057	3.1
135.11713	5.2
137.13350	2.3
141.06938	2.3
142.07767	2.4
142.14795	1.9
143.08565	12.6
145.10124	33.4
147.11696	11.0
149.09628	8.6
155.08598	2.9
157.10141	10.7
159.11705	27.7
161.09645	3.8
161.13322	7.1
163.11189	6.9
169.10115	4.7
171.11713	5.3
173.13272	11.6
175.11232	4.6
175.14801	2.4
177.12749	2.7
183.11726	6.7
185.13269	29.7
187.14865	4.5
189.11226	2.8
197.13309	5.0
201.16397	3.8
203.14355	16.4
205.15977	4.5
217.15979	3.0
219.17419	10.1
227.12677	10.7
229.19507	4.5
239.17979	11.1
239.23738	3.7
254.65359	2.0
257.19067	33.2
257.24768	2.7
275.20081	43.2
277.17914	2.5
293.21140	2.2
313.27368	100.0
331.22546	11.2
349.23779	46.1
467.37186	2.5
507.33246	2.6
507.40341	3.2
524.43091	2.8
587.46814	39.8
605.47211	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92496	2.0
52.56339	1.6
52.97795	1.5
53.03943	4.6
55.05319	1.6
55.05519	18.2
55.19896	1.4
57.03448	11.3
57.07078	44.5
58.56928	1.5
59.93189	1.5
61.10859	1.8
65.03936	3.0
67.05506	52.7
67.22797	1.6
69.07074	27.9
69.16872	8.0
69.17307	8.5
71.04971	4.4
71.08636	34.2
77.37227	1.6
79.05499	32.8
81.03414	3.7
81.07057	67.7
83.04990	7.9
83.08627	19.1
85.06564	3.9
85.10190	21.3
89.06011	3.0
91.05487	30.6
93.07046	39.5
95.04974	5.6
95.08608	46.6
97.06522	9.0
97.10173	7.3
99.08078	2.8
102.06597	1.4
103.05535	1.9
103.07478	2.3
105.04520	1.6
105.07042	26.4
107.04957	3.2
107.08598	22.6
109.06527	4.3
109.10161	21.3
111.08105	3.0
117.07049	16.5
119.08597	19.7
121.06523	2.5
121.10147	11.5
123.08057	4.0
123.11721	7.4
129.07036	4.0
131.08580	16.6
133.10132	18.5
135.08109	2.3
135.11693	10.2
137.09647	3.4
143.08554	2.8
145.10146	8.7
147.11696	6.7
149.09612	5.1
149.13272	10.1
157.10170	3.7
159.11725	10.6
161.13249	2.0
163.11201	4.7
169.10165	2.0
171.11703	2.6
173.13359	2.9
177.12729	4.0
183.11653	1.9
189.16414	2.1
195.13853	3.2
199.14894	2.0
217.15941	3.3
222.32373	1.6
229.19501	2.3
239.18016	3.0
239.23672	4.7
247.20554	2.9
251.16449	1.6
255.15933	13.0
257.19119	7.8
267.16095	3.3
269.17499	15.3
275.20087	34.2
275.22681	1.6
289.36771	1.7
289.82507	1.7
291.19388	2.5
293.20944	1.9
309.20618	2.0
311.17902	1.6
313.27390	86.7
331.22433	2.2
349.23740	19.7
350.38934	1.9
367.24728	3.1
381.97443	1.6
383.43317	1.8
389.73019	1.8
493.38910	18.2
505.38443	2.1
507.40497	100.0
547.43311	5.5
587.46777	15.8
605.47461	5.1
641.25452	2.8
650.81281	1.7
653.27454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03138	0.9
52.74051	0.8
53.03952	1.8
55.01870	3.4
55.05515	21.4
57.03440	4.4
57.07079	14.9
59.04986	0.9
66.33210	0.8
67.05510	21.8
68.05785	0.8
69.03415	2.5
69.07079	6.4
69.48402	1.8
69.48822	4.2
70.06593	7.8
71.05006	2.1
71.08640	9.7
72.46483	0.7
79.05498	19.0
81.07062	16.9
83.04976	2.8
83.08626	15.1
85.06520	1.5
85.10182	5.0
91.05474	9.5
93.07049	11.1
95.04974	0.9
95.08611	13.1
97.06532	1.1
97.10175	30.4
98.20708	0.9
105.06396	1.1
105.07035	10.4
107.04945	1.5
107.08596	28.1
109.06584	1.4
109.10159	8.6
111.08060	2.2
117.07021	4.0
119.08591	6.4
121.10136	2.5
123.11750	2.1
125.09645	25.4
125.10570	1.4
129.07030	1.1
131.08575	4.3
133.10139	6.4
135.08044	3.5
135.11748	1.8
139.11140	0.8
143.08647	0.9
143.10654	1.0
145.10129	6.0
147.11697	4.1
149.09602	2.1
153.09114	1.3
159.11681	3.8
161.13278	1.4
163.11134	1.1
171.10210	1.6
173.13127	1.1
185.13232	1.1
189.11247	15.6
203.14464	1.1
219.17560	0.8
227.12791	100.0
239.17882	1.1
239.23708	1.5
252.15863	1.5
257.18994	7.0
275.20068	21.5
277.43713	0.8
313.27380	40.0
331.22690	4.5
349.23743	25.8
468.42239	1.0
483.36768	8.0
505.38992	1.8
564.42505	1.7
582.43628	6.5
587.46680	28.0
608.45441	2.0
640.47302	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.7
55.01862	5.8
55.05277	1.6
55.05517	22.0
57.03159	1.6
57.03439	20.2
59.04996	2.3
61.02921	4.7
65.03940	5.5
65.38499	1.3
67.05509	52.8
69.03429	16.1
69.07077	15.2
71.01373	2.1
71.04992	9.1
71.52396	1.7
73.02901	3.8
79.05496	52.2
81.03425	95.3
81.07060	47.8
83.01330	1.8
83.04982	31.7
83.08628	20.7
85.02914	19.7
85.06522	4.0
89.06047	3.7
91.03941	3.2
91.05490	75.5
91.21561	1.5
93.06484	2.8
93.07050	40.6
95.04980	28.3
95.08615	17.8
97.02892	20.5
97.06550	9.3
97.10154	5.3
97.42131	1.7
99.04453	5.2
99.08078	2.0
103.05476	2.0
104.59057	1.3
105.04566	1.8
105.07042	42.8
107.04969	21.9
107.08597	13.0
109.02875	10.4
109.06519	8.3
109.10174	13.8
111.04436	9.7
111.08092	10.8
113.24127	1.5
115.05473	4.3
117.03323	1.7
117.07001	8.4
117.94204	1.5
119.04967	1.8
119.08586	33.7
121.06525	5.1
121.10149	13.6
123.04436	2.7
123.08083	3.7
123.11710	3.3
125.09610	2.6
126.85851	1.3
127.03902	8.6
127.07545	1.7
128.06248	2.7
128.88890	1.5
129.05443	4.2
129.07021	21.8
131.04916	1.6
131.08582	22.8
133.06502	7.2
133.10141	36.0
135.08041	2.0
135.11702	6.6
137.06001	2.2
137.09637	3.2
141.06935	2.1
142.07802	4.3
142.88995	1.5
143.08530	4.0
145.02826	3.6
145.06502	3.3
145.10104	8.4
147.04420	1.6
147.08035	7.7
147.11708	26.9
149.05966	2.2
149.09647	8.5
151.11201	2.6
153.12726	3.4
155.08546	3.4
157.10144	25.9
159.08080	2.0
159.11710	2.6
161.09647	1.6
163.11180	8.8
165.12811	3.7
166.53514	1.6
171.08055	1.7
173.04462	3.3
173.09613	2.1
173.11789	2.0
175.11198	24.3
175.14772	4.1
177.05489	9.4
177.12671	2.3
181.12271	2.3
191.10754	2.3
193.12268	46.3
211.13284	37.0
227.12691	3.1
229.14278	3.6
231.13707	1.4
243.15814	1.4
245.15469	2.6
249.14885	3.5
255.13799	3.5
267.15933	100.0
273.15009	4.0
285.17035	10.1
286.04758	6.8
291.16098	1.9
301.06982	7.6
301.14169	1.7
319.15112	2.5
337.16647	2.2
349.21500	1.5
355.17465	4.8
402.57025	1.5
411.20035	5.6
413.17606	3.6
429.21411	8.6
441.26773	1.5
459.27438	85.6
467.18610	3.3
477.28592	23.1
603.30981	2.5
621.32684	27.8
639.29749	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
67.05515	1.8
71.52724	0.9
73.94608	0.7
79.05483	1.5
81.07069	0.9
90.63741	0.7
91.05484	1.4
93.07054	1.8
94.06580	1.6
107.07323	1.8
108.08106	1.4
120.04516	0.9
120.08117	8.3
122.09683	2.1
134.44682	0.8
143.16379	0.8
144.08119	1.2
146.06024	3.1
148.07582	1.2
150.09169	2.0
158.09727	1.1
159.09344	0.9
172.03947	5.0
172.07587	1.0
182.08348	1.1
186.09160	1.1
197.10779	1.6
204.06613	8.4
210.11772	1.1
211.08696	2.1
225.10286	3.4
227.11778	4.8
235.08829	1.7
236.09462	1.7
237.10320	2.1
249.10266	3.7
250.11023	1.7
251.11873	2.6
253.09822	1.3
253.13423	2.1
263.08179	1.2
263.11978	1.2
265.09836	1.5
267.11420	1.0
277.09784	2.1
279.11414	3.7
285.12488	2.4
297.12314	1.4
298.13446	1.4
299.14322	1.8
300.11569	1.1
301.07123	1.1
307.10629	1.7
309.12546	1.4
311.13989	3.2
312.11639	1.3
314.13000	2.4
316.14447	1.3
325.12173	2.3
326.12979	1.7
327.13745	1.7
328.10864	1.1
328.14474	2.8
329.15768	1.1
339.13629	2.6
340.11023	1.0
340.14636	2.1
341.15356	1.0
342.12466	5.5
342.16086	2.9
343.13171	1.1
354.12524	2.1
354.16327	1.6
355.13266	2.2
356.14026	5.3
356.17798	1.5
357.14801	1.9
358.15558	1.4
367.13556	1.0
368.13940	3.1
369.14832	1.8
370.11636	1.0
370.15598	4.3
382.11679	2.0
382.15891	1.9
383.16382	2.5
384.17300	3.4
385.18292	1.3
386.15601	0.8
391.16330	1.7
395.12985	1.0
398.14694	1.2
410.15076	2.6
412.16595	3.4
419.15274	2.3
421.16583	1.3
426.18240	2.2
430.17511	1.6
433.16650	2.4
434.17557	1.0
435.18027	1.9
442.17743	1.1
443.18311	1.0
444.19263	9.5
447.18579	1.7
449.19592	4.2
452.16241	1.0
463.22055	2.2
464.22180	1.1
465.22989	1.1
470.17319	3.3
472.18933	1.3
477.18829	1.0
487.21521	1.3
491.20313	1.0
492.21606	1.0
499.00351	1.0
502.19577	1.1
504.21460	2.0
505.22586	1.0
519.24243	1.3
533.25458	2.3
547.23456	1.3
551.26636	12.0
561.24963	1.1
579.26044	13.1
589.24341	2.0
597.27344	2.3
607.25781	10.2
611.28717	55.7
612.29010	1.3
621.27649	1.7
639.28186	100.0
640.28912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.4
55.01873	5.9
55.05273	1.3
55.05518	18.8
57.03444	9.4
59.05009	1.7
65.03939	3.0
67.05511	25.0
69.03432	14.7
69.07071	5.5
70.90834	1.6
70.91164	1.0
71.01374	1.3
71.04991	6.5
76.89677	0.8
79.05148	0.7
79.05499	25.6
81.03425	100.0
81.07064	32.1
83.04990	21.6
83.08622	20.9
85.02910	23.5
85.06562	1.3
88.60390	0.9
91.05490	33.0
93.07049	17.0
95.04981	31.0
95.08607	11.1
97.02902	14.1
97.06547	6.8
97.10184	6.8
99.04471	3.7
99.08117	1.8
103.03973	1.0
105.04538	1.3
105.07036	20.6
105.07684	1.5
107.04972	9.8
107.08610	12.2
109.02884	17.0
109.06524	5.6
109.09567	0.8
109.10161	5.3
109.58566	0.9
111.04449	14.2
111.08094	10.6
112.93283	0.8
113.06032	1.7
115.05466	1.6
117.03387	4.0
117.07052	3.9
118.94016	0.8
119.04946	4.5
119.08594	20.4
121.06493	4.4
121.10152	12.6
123.04417	8.6
123.08085	3.3
123.11718	2.4
125.09653	5.7
127.03915	7.5
128.06277	1.5
129.05510	2.1
129.07019	12.5
131.04977	0.9
131.08578	10.9
133.06500	5.4
133.10127	7.9
135.08127	1.6
135.11748	2.5
137.06042	1.8
137.09630	1.8
141.06978	1.2
142.07808	3.0
143.08571	1.7
145.02866	8.7
145.06540	2.4
145.10158	3.7
147.04445	2.6
147.08047	4.3
147.11684	17.9
147.12793	1.2
149.05980	2.1
149.09625	6.1
153.12752	3.2
155.08589	1.3
157.10139	13.7
159.08005	1.0
161.06032	1.5
161.09613	1.3
163.11195	5.5
165.05487	1.9
165.12738	5.6
165.64682	0.9
171.07959	0.9
171.11710	2.1
173.04425	2.3
173.09676	2.7
174.16638	1.1
175.11201	15.6
177.05486	15.7
178.07889	0.9
181.10132	1.0
181.12279	3.2
189.11267	2.3
189.12831	1.5
191.10707	3.3
193.12256	42.1
199.11325	0.9
209.11722	1.9
211.13303	64.1
226.53827	1.0
227.12729	7.2
229.14491	1.2
230.11603	0.9
233.15416	1.2
235.13373	2.0
244.85857	1.0
249.14972	2.8
255.13794	1.1
267.15936	28.3
269.08231	2.3
270.08539	2.8
271.08835	2.0
273.14810	4.4
277.14319	1.5
283.15552	3.2
285.04004	1.8
285.17041	16.6
286.04730	8.6
291.16006	0.9
301.07108	15.2
301.14218	4.7
302.07455	1.0
303.16055	1.0
309.17032	1.8
310.04913	1.2
313.16483	1.6
319.15552	2.7
325.07013	2.0
337.16507	3.3
355.17505	7.9
367.22629	2.1
373.10217	1.1
375.18192	1.7
375.25717	1.0
385.23773	5.7
389.30679	0.9
393.19064	5.8
403.24930	2.3
411.20279	7.2
419.11124	6.0
429.21008	4.8
459.27365	14.4
465.11938	6.4
477.28522	17.3
493.28149	1.0
495.29581	23.6
511.28641	2.1
519.29523	1.6
543.29651	1.3
561.30609	2.3
573.30890	1.5
585.30615	5.3
603.31702	4.7
621.32904	16.1
622.32648	1.1
639.17010	2.0
639.33759	50.9
640.34387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.03437	0.2
67.05509	0.2
69.18839	0.8
69.19267	1.0
79.05495	0.3
81.07040	0.2
82.83073	0.2
91.05489	0.3
93.07088	0.2
95.08669	0.2
96.68652	0.2
105.07080	0.2
106.06546	0.2
108.08071	0.2
125.54221	0.2
127.83180	0.2
169.40680	0.2
174.09169	0.3
197.10628	0.3
204.06647	0.4
209.10776	0.2
211.08804	0.3
211.12358	0.3
213.10257	0.3
223.12350	0.2
225.10300	0.8
227.11900	0.3
232.73167	0.2
237.10327	0.4
239.08295	0.2
239.11882	0.5
241.13463	0.3
249.10367	0.4
251.11836	0.5
253.13406	0.2
267.11371	0.3
302.12851	0.3
311.13931	0.3
312.11469	0.3
314.12909	0.4
326.13019	0.3
326.40308	0.2
328.14420	0.3
340.10687	0.3
340.14551	0.3
342.16281	0.4
365.17703	0.3
368.13931	0.2
377.17761	0.2
379.19339	0.5
391.15350	0.2
392.16296	0.4
393.16681	1.1
393.21490	0.4
402.18954	0.2
405.16992	0.9
406.17743	1.0
407.18439	2.0
408.19604	0.3
409.20126	0.2
417.17224	0.6
418.17950	0.3
419.14990	0.7
419.18958	0.7
420.15237	0.6
420.19473	0.9
421.20502	5.2
422.21262	1.3
423.21774	0.7
430.17963	0.4
431.14255	0.3
431.19247	0.4
433.16104	0.7
433.20432	1.3
434.17499	1.2
435.17322	2.3
435.23001	0.5
436.22995	2.2
437.23340	0.6
445.15945	0.3
445.21030	0.4
446.16949	0.4
447.17303	0.5
447.22049	0.9
448.18747	2.2
449.19760	8.8
450.20483	2.5
451.21506	0.7
459.18280	0.8
460.19052	0.6
461.20087	1.3
462.20392	0.8
463.21713	4.9
464.22208	5.3
465.23035	0.8
473.19473	0.4
474.20511	0.7
475.21695	2.1
476.18643	0.4
477.18823	5.4
478.19913	2.0
479.21127	0.7
480.21317	0.3
487.20746	0.2
491.19867	0.9
492.21521	1.1
493.22809	1.1
495.23807	0.6
503.21246	0.3
504.21835	0.3
505.22989	1.1
506.23700	0.2
507.24771	1.0
508.24625	0.4
509.25638	0.6
519.23792	0.3
520.21484	0.2
521.22327	0.8
523.23090	2.6
533.22290	0.9
535.23505	3.2
536.06158	0.2
536.24072	1.1
537.20618	1.5
547.23236	0.5
549.21594	0.8
550.25635	1.2
551.26727	2.7
561.25000	4.2
563.22980	0.6
564.23761	5.2
565.24615	2.3
567.25867	0.2
578.24561	0.3
579.26062	7.2
581.24109	0.8
592.23560	0.8
593.28241	0.3
595.25824	2.2
596.26404	1.2
597.27051	0.6
607.25861	0.7
610.27625	1.1
611.28296	0.5
621.27124	3.7
622.26172	0.3
624.25775	5.1
639.28156	100.0
640.28418	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.05494	0.7
56.96856	0.6
57.07074	0.8
59.06083	0.6
67.05490	2.1
69.07044	0.9
70.96298	1.8
79.05499	2.0
81.07055	1.6
91.05490	1.4
91.38024	0.7
93.07042	2.0
95.04993	0.9
95.08582	0.7
105.07038	2.7
107.08572	0.8
119.08589	1.0
135.11684	0.8
197.10721	1.0
207.09247	1.1
209.10716	1.4
210.11389	0.8
211.12355	1.8
221.10719	1.5
222.11484	1.6
223.12299	3.4
224.13091	2.0
225.06825	0.9
225.13847	2.1
235.12370	1.3
236.13130	1.2
237.13936	3.3
238.14667	2.7
239.15402	1.4
249.10063	0.7
249.13844	2.9
251.11826	1.6
251.15413	3.0
253.17271	0.8
253.72757	0.7
261.13770	2.8
263.11783	1.4
264.12509	1.0
265.13495	0.9
279.14905	2.5
288.14798	1.0
298.84061	0.7
299.10233	1.0
299.14926	0.8
299.75830	0.8
312.14923	1.2
314.16324	0.8
327.33087	0.8
338.16537	0.8
364.18121	0.8
365.17950	0.9
377.18472	0.9
379.19202	1.9
391.19635	1.4
392.16812	1.2
393.20969	1.5
404.20245	1.1
405.16635	1.4
405.21295	1.2
406.17776	1.1
407.18570	2.4
409.19894	1.3
410.20868	1.9
420.15536	1.0
421.19986	1.3
422.20798	2.2
423.22034	3.7
431.18448	1.1
433.20425	1.1
435.18222	2.6
436.18915	1.1
445.20395	1.1
447.21240	1.0
449.19577	2.3
450.20621	1.3
451.20975	2.0
459.22089	1.4
461.19269	1.2
463.16522	0.8
463.21790	1.4
467.20950	1.2
468.21954	1.1
473.19104	1.2
475.21637	3.9
476.21652	1.1
479.20816	2.2
481.22287	1.0
482.22943	0.9
483.24100	1.3
487.21411	1.6
488.21884	1.1
492.21591	1.0
493.22177	1.5
494.23584	2.3
495.24274	0.8
496.24911	1.3
501.23050	1.6
502.23459	0.8
503.24191	2.7
505.20172	0.8
509.25632	16.2
510.25699	1.0
515.21075	1.0
519.23590	3.1
521.22253	0.8
522.22571	1.1
523.22876	1.0
533.26044	1.5
535.27679	4.1
536.24103	1.3
537.25238	12.9
541.28082	1.2
545.93994	0.8
547.23254	2.5
551.26782	4.8
552.23505	0.9
554.25409	0.9
561.25037	8.4
562.25726	1.8
563.26288	3.0
564.23206	1.0
565.24524	11.5
567.29620	2.0
569.27747	13.6
579.26111	4.7
589.24371	2.1
595.29321	1.3
596.26459	1.9
597.27124	100.0
598.27130	1.8
607.25488	8.5
611.28699	13.1
621.27087	15.9
622.28088	9.7
639.28180	45.1
639.40497	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2819
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.11942	0.2
56.92933	0.2
57.07072	0.9
61.11552	0.2
64.15874	0.2
67.05505	0.4
71.08635	0.5
79.05499	0.6
81.07055	0.6
82.23264	0.3
85.10215	0.3
89.06048	1.5
93.07050	0.5
95.08652	0.3
102.12545	0.2
105.07043	0.3
107.08629	0.3
119.08539	0.2
133.08667	0.5
177.11275	0.3
177.87817	0.3
197.10835	0.5
211.12268	0.3
229.19568	0.3
249.31039	0.2
327.13730	0.3
328.14383	0.4
375.16257	0.3
377.17828	0.6
379.19238	0.7
389.17780	0.4
390.18738	0.4
391.19550	2.0
392.20029	0.9
393.20926	1.0
394.21332	0.4
403.19662	0.5
404.20197	0.6
405.16211	1.6
405.20963	1.3
406.17825	0.8
406.22263	0.5
407.17831	0.5
407.22891	3.3
415.15231	0.3
417.21207	0.3
418.17957	1.1
419.18192	3.0
419.23456	0.6
420.19321	1.6
421.20288	2.3
422.21210	0.4
423.21863	0.7
431.18665	0.4
432.18835	0.3
433.20276	10.7
434.21191	4.8
435.22064	5.2
436.23215	0.7
445.20401	0.3
446.21460	0.4
447.22720	1.3
448.23196	0.5
449.19666	4.9
450.20541	0.5
451.21426	0.7
461.19653	1.0
461.24298	0.7
462.20090	0.4
463.21692	1.1
464.22223	1.5
465.23056	3.0
466.24069	0.4
474.20203	0.4
475.21420	0.4
477.18329	0.5
479.20291	1.6
481.22522	0.5
487.21851	0.5
488.22379	0.3
489.23129	0.4
491.20959	1.1
492.21350	3.4
493.21863	3.9
501.22849	0.4
503.24902	0.4
505.22256	2.1
506.23245	0.6
507.23944	0.9
519.23944	1.0
520.24652	1.0
521.25665	7.6
523.27155	0.6
524.24347	0.4
529.22437	0.3
533.21887	0.5
535.23926	0.6
537.20850	0.6
547.23749	1.3
548.24213	0.6
549.24640	0.6
551.27209	1.4
561.25018	1.1
565.24341	2.6
579.26129	18.4
580.26630	2.1
581.27649	2.1
589.24579	0.4
595.26532	0.3
597.27020	1.2
607.25452	4.1
611.28613	0.8
621.27209	0.5
621.42303	0.3
639.28186	100.0
640.28778	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96630	1.2
57.18956	1.1
69.23560	9.6
71.48740	1.0
90.26096	1.1
159.69821	1.0
160.04819	1.0
168.00697	1.2
179.90533	1.3
205.41632	1.0
213.86253	1.0
242.77425	0.9
276.70270	1.0
312.44205	1.0
390.18536	2.2
391.19370	1.5
402.18875	1.2
403.19556	2.0
404.20050	2.3
405.20728	9.2
417.20911	1.7
418.21826	2.2
419.22330	7.9
420.23297	2.8
433.23901	3.8
434.24570	1.6
435.18521	1.5
445.19687	1.4
447.21475	5.3
449.19736	5.4
450.20813	2.1
462.21014	1.4
463.21320	6.8
464.22491	5.2
465.23276	6.7
475.21298	1.5
477.22781	4.9
478.23688	4.0
479.24509	27.5
480.25381	1.6
487.21466	2.9
488.21902	2.1
491.20648	3.5
492.25363	2.0
493.25970	20.2
501.23383	1.8
503.24301	1.7
519.24255	2.7
523.23450	11.3
537.25043	31.3
538.25952	1.4
547.23370	5.8
551.26556	18.9
552.27307	63.1
579.25922	7.5
607.25409	11.3
624.26129	1.5
639.28198	100.0
640.28271	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15369	3.7
81.89288	0.3
85.10180	0.5
109.10205	0.5
127.31330	0.3
161.37816	0.4
251.11882	0.4
291.44873	0.4
362.27014	0.4
376.16733	0.5
377.17734	1.1
380.21304	0.5
386.18344	0.4
389.18561	0.6
390.18311	0.9
391.19131	3.6
392.20291	1.3
393.21570	0.7
403.19702	0.8
404.20694	1.1
405.20840	8.2
406.21509	2.7
419.22372	2.3
420.23148	4.1
421.23941	4.2
432.23282	0.4
433.19534	3.0
434.24725	1.3
435.18344	1.4
436.19028	1.5
437.20200	0.4
445.20370	0.5
447.22006	1.3
448.22748	0.5
449.19577	1.8
450.20648	1.8
451.21536	1.4
452.22208	2.1
460.22681	0.9
461.23431	0.8
463.16556	0.5
463.21664	1.2
464.22186	1.2
465.22910	32.2
466.23544	1.1
473.19861	1.2
475.26010	2.1
477.19263	1.1
477.27341	2.3
478.23615	1.8
479.24493	6.0
480.25223	3.2
487.21588	0.9
488.22446	2.0
491.20874	1.2
492.21121	2.1
493.26102	3.3
501.22781	0.6
503.24503	21.2
505.22223	0.8
519.23956	1.0
521.25586	13.0
537.25140	5.4
547.23407	2.3
565.24512	46.3
566.24921	0.5
579.26410	0.7
580.26837	12.9
607.25555	12.8
607.33136	0.2
608.26233	0.4
615.43915	0.4
621.27039	0.8
639.28192	100.0
640.28784	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
60.23090	0.2
71.44139	0.5
72.65411	0.3
72.65822	0.3
72.78362	0.2
81.07074	0.4
119.04139	0.3
185.76465	0.2
197.10818	0.4
213.13751	0.3
221.10744	0.6
222.11700	0.3
223.12329	0.5
297.12607	0.3
300.14990	0.4
310.13470	0.4
312.15140	0.6
314.16559	0.7
326.16345	0.5
328.18134	0.4
343.89044	0.3
363.16388	0.3
374.16656	0.3
375.16309	0.4
376.16730	0.4
377.17630	2.1
378.18741	0.7
379.20230	0.3
388.17923	0.4
389.17532	1.3
390.18588	1.2
391.19202	4.0
392.19998	3.4
393.21149	0.9
402.18851	0.2
403.19730	1.4
404.20090	1.9
405.20749	9.3
406.21561	4.7
406.26926	0.3
407.16919	0.6
407.22318	12.3
414.22382	0.4
416.20435	0.3
417.20773	1.1
418.21719	0.9
419.22476	4.4
420.23019	5.0
421.17212	0.8
421.23889	17.0
422.17957	0.7
422.24731	3.5
424.23160	0.5
429.20871	0.4
431.17706	0.4
431.22467	1.1
432.19315	0.4
433.24246	4.5
434.24728	1.8
435.18204	1.9
435.25464	1.2
436.18704	1.6
437.19989	0.4
445.19980	1.8
447.21588	1.1
447.26038	1.0
448.26529	0.8
449.19907	0.9
449.27679	0.6
450.20520	1.8
451.21313	13.2
451.27631	0.6
452.22128	3.4
457.16519	0.4
458.17416	0.4
459.22092	0.4
460.22693	1.2
461.23575	1.7
462.21207	0.4
462.67297	0.3
463.21741	1.7
464.22211	1.3
465.22897	17.0
466.23517	2.1
473.19440	1.7
475.20770	1.0
475.25375	1.3
476.21634	0.4
477.22821	1.8
478.23892	1.6
479.24518	1.8
487.21353	2.4
488.22162	1.7
489.22723	0.6
491.19891	1.3
491.25931	0.3
492.21735	1.4
492.25723	0.8
493.26379	1.9
501.22949	2.3
502.23386	0.9
503.24448	14.1
504.25064	1.0
505.26462	0.5
507.27689	11.0
508.28156	2.6
519.24573	0.6
520.24506	0.4
522.22693	0.4
523.23364	3.3
524.23914	0.3
533.25299	1.5
535.27124	16.3
536.27203	0.8
537.25018	9.4
547.23822	0.3
551.26715	5.3
552.27325	16.9
561.24976	4.1
561.32855	0.3
562.25470	0.7
579.26062	6.4
580.26312	1.9
593.27631	1.1
595.29144	6.1
595.37988	0.5
607.25220	0.4
621.27124	16.6
622.27448	0.5
639.28162	100.0
640.28369	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
57.60388	0.6
58.33236	0.6
61.64241	0.7
69.03427	0.8
69.62205	2.9
71.05000	12.6
73.02943	0.8
82.36212	0.6
83.04964	1.4
85.02910	18.2
86.23708	0.6
87.04472	1.0
97.02860	0.6
106.51250	0.5
109.02876	0.7
111.04444	0.9
115.05416	0.8
117.07010	1.4
118.06557	17.3
126.01053	0.6
127.03929	43.9
129.05487	9.1
130.06543	1.7
132.08102	4.5
142.06541	1.8
143.07294	1.9
144.08104	13.1
146.06026	58.6
147.06505	6.2
150.29080	0.6
159.09180	6.0
160.07634	1.4
170.06033	4.2
177.05429	0.8
188.07083	100.0
205.09746	50.7
273.09903	0.7
289.09106	2.4
340.24045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66153	0.2
53.03952	0.9
55.01875	0.6
55.05537	0.2
57.03447	5.6
59.77483	0.1
61.02922	0.7
68.99803	1.6
69.03439	3.5
70.06581	0.1
71.01351	0.3
71.05015	0.7
71.50909	0.3
73.02921	0.9
75.04491	2.9
75.24042	0.1
81.03429	5.0
83.05006	0.3
85.02429	0.3
85.02917	3.4
87.00842	7.5
87.04473	0.6
91.03970	0.3
93.05576	0.3
97.02906	2.9
97.06557	0.1
99.00823	0.3
99.04471	1.6
101.02385	0.1
103.03943	0.2
105.01868	1.8
109.02897	6.0
111.04447	0.3
113.02416	0.3
117.05502	0.6
125.02341	0.2
127.03935	100.0
128.04250	0.3
129.01851	0.9
131.03363	0.2
141.01875	0.8
143.03421	6.8
145.04967	0.5
147.02939	0.3
147.04390	0.3
153.69511	0.2
159.02939	0.5
161.04480	3.4
169.04932	0.1
171.02913	0.4
183.06584	0.7
185.04539	0.2
189.03984	1.6
203.05542	3.3
213.03902	0.7
215.05534	0.3
219.01904	0.1
225.07664	0.3
227.05505	0.2
231.05095	0.2
233.06599	0.2
241.07140	0.2
251.05516	0.6
269.06561	1.5
287.07660	3.3
305.08719	13.8
333.08221	1.2
431.11856	0.2
449.13089	0.6
495.13596	0.4
621.19104	0.3
639.19965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1925
Annotation	5-Hydroxy-7,4',5'-trimethoxyisoflavone 3'-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03909	0.4
55.01860	0.5
57.03439	2.2
59.04977	0.3
61.02926	1.8
69.03434	9.0
70.66921	0.6
71.01320	0.4
71.04970	0.4
73.02874	1.1
81.03421	1.8
85.02911	11.7
87.04476	1.7
89.03912	0.4
97.02287	0.4
97.02894	4.3
99.04411	0.8
101.02361	0.3
103.03890	0.7
109.02901	1.1
115.03899	1.1
115.26610	0.3
117.03348	0.9
119.04885	0.4
127.03915	1.7
133.04970	0.5
145.02846	2.4
145.04857	0.5
149.05988	0.3
157.56728	0.3
166.02597	0.3
169.01276	0.5
177.05484	6.3
184.91977	0.3
198.35298	0.2
241.04828	0.4
257.04361	0.3
269.04507	1.9
272.03268	1.8
283.05963	2.1
284.06812	1.3
285.03973	0.6
286.04727	4.0
287.05490	3.8
295.05984	0.4
297.03967	10.8
299.05286	0.6
300.02798	0.5
301.07071	7.0
310.05026	0.4
311.05521	1.7
312.06287	3.6
313.06763	0.3
315.04993	44.2
316.05298	0.5
321.09830	0.6
329.06494	0.5
330.07330	11.2
339.05118	0.8
343.08139	1.9
345.09695	100.0
346.09915	1.1
357.06000	1.6
369.09720	0.7
387.10742	5.1
399.10742	0.3
411.10803	0.7
448.26605	0.3
507.15015	55.0
508.15289	0.8
516.90289	0.3
578.63910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.98239	0.2
55.05500	0.4
57.03440	0.7
63.02392	0.3
67.05526	0.5
68.99806	0.5
69.03439	1.9
69.07064	0.6
69.22025	1.8
69.22430	0.7
70.06597	0.4
73.02930	0.5
77.82345	0.3
79.05511	0.4
81.03432	3.5
81.07055	1.1
84.08134	0.3
85.02919	2.3
89.03922	4.9
91.05495	0.5
93.07053	0.5
95.04961	0.4
95.08615	0.7
97.02895	0.9
97.06574	0.3
98.20716	0.6
99.04465	0.6
105.07009	0.4
106.04150	0.6
107.08620	0.8
108.82084	0.3
109.02882	1.5
109.10152	0.5
111.12228	0.3
117.03390	15.4
118.04204	0.7
119.04959	0.9
119.08610	0.5
121.06509	0.5
121.10148	0.4
123.11704	0.3
127.03933	0.9
131.04935	0.4
131.08542	0.3
133.10202	0.4
134.03636	1.1
135.04436	1.0
137.05981	0.4
140.01074	0.7
145.02861	39.7
147.11729	0.3
147.67981	0.3
149.06003	5.4
151.03917	0.4
157.10098	0.3
158.06017	0.3
159.04510	0.3
163.03976	0.4
168.00560	3.7
169.01347	0.3
175.07533	0.3
177.05486	100.0
178.05814	0.7
186.01627	2.1
186.05531	1.1
195.06575	1.1
207.06647	0.4
212.04683	0.4
213.05562	0.3
229.04973	0.7
240.04221	0.8
241.05070	1.3
255.06555	1.0
257.04547	0.4
258.05338	1.5
268.03717	0.7
269.04462	2.8
285.03967	7.3
286.04745	69.9
287.05249	0.9
297.03903	1.0
301.07092	95.6
302.07452	0.8
312.06207	0.3
315.05063	3.6
321.09726	7.1
330.07324	1.2
331.08350	0.4
339.10681	3.3
345.09720	9.1
387.10635	0.4
507.15021	6.1
639.32629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72015	0.2
63.02370	0.5
66.65514	0.3
68.90050	0.2
68.99800	0.4
69.03420	1.0
69.16034	1.4
69.16455	0.9
81.03419	2.9
84.44279	0.2
85.02917	0.8
89.03925	4.8
91.05486	0.4
99.04481	0.3
103.05463	0.3
106.04133	0.2
109.02891	0.8
117.03391	15.5
118.04194	0.9
119.04984	0.3
121.02935	0.3
127.03956	0.4
134.03658	1.4
135.04420	0.6
140.01067	0.4
144.69151	0.2
145.02859	39.1
149.05997	5.0
153.01823	0.3
162.03230	0.3
163.03876	0.3
168.00554	4.4
169.01343	0.7
177.05484	100.0
178.05801	0.5
184.05252	0.5
186.01599	1.4
186.05504	1.1
195.06499	1.0
212.04701	0.7
213.05495	0.3
229.04964	0.7
230.05463	0.3
240.04149	0.9
241.04927	1.2
255.06577	0.8
257.04449	0.3
258.05283	2.6
268.03729	0.7
269.04416	2.4
285.03967	7.6
286.04739	67.6
287.05020	1.0
301.07086	90.0
302.07419	0.6
309.11816	0.2
321.09717	7.2
339.10812	3.0
594.70496	0.2
612.36652	0.3
632.28705	0.3
634.87909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.03954	9.9
55.01875	10.3
55.05514	25.2
57.03445	9.5
57.54256	0.9
59.05016	1.8
65.03946	2.6
67.05182	1.9
67.05511	27.2
67.56532	1.0
69.03436	21.8
69.07079	6.9
70.56744	1.9
70.57090	2.3
71.01351	1.6
71.05002	8.9
71.96272	1.0
73.02927	1.9
79.05499	38.6
81.03425	100.0
81.07065	30.1
83.01353	4.1
83.04985	25.3
83.08625	22.9
85.02912	21.7
85.06551	14.4
91.05488	32.6
93.07048	29.3
95.04977	24.3
95.08615	13.5
97.02898	20.2
97.06532	9.3
97.10167	10.2
99.04462	8.3
99.08112	1.4
105.03397	1.4
105.07037	18.4
107.04963	17.9
107.08609	20.0
109.02895	20.9
109.06521	7.3
109.10165	8.7
111.04456	16.6
111.08091	18.6
113.06004	1.4
115.05441	2.0
117.07030	8.8
119.04987	1.5
119.08585	18.9
121.06525	6.3
121.10159	12.8
123.04451	2.9
123.08092	8.7
123.11720	2.3
125.02311	1.3
125.06023	3.0
125.09631	8.1
127.03930	13.1
127.07554	1.0
128.06252	1.6
129.05493	1.5
129.06998	8.2
130.07753	1.6
131.04984	1.3
131.08569	12.3
133.06531	3.3
133.10152	9.8
135.04431	2.1
135.08095	3.2
135.11716	10.1
137.05975	1.8
137.09625	2.6
142.07809	1.9
143.08589	4.1
145.06488	2.0
145.10139	14.7
147.04416	3.3
147.08061	3.5
147.11703	10.8
149.05969	2.3
149.09657	5.6
151.11243	1.2
153.09181	1.3
153.12764	9.3
155.08546	2.4
157.10176	9.8
159.11725	1.3
161.05984	2.3
161.09641	1.6
163.04053	1.2
163.11194	18.9
165.12828	2.3
171.08110	1.6
173.04480	3.3
173.05962	2.1
173.09668	5.3
175.11250	7.9
175.12515	1.3
181.10660	1.3
181.12250	9.7
189.05536	1.2
189.09494	1.2
189.11266	3.8
189.12764	1.2
191.10670	8.6
193.12259	27.1
193.13870	1.9
209.11743	6.4
211.13295	41.4
211.15303	2.0
223.13231	1.2
227.12762	17.4
227.14568	1.5
229.14391	1.1
247.13342	2.0
249.14992	1.2
249.85281	1.1
255.13585	1.5
265.14453	3.5
267.15933	9.2
273.14929	3.1
277.14545	1.4
283.15463	14.4
285.16986	4.6
286.34274	1.3
289.14386	2.4
291.15668	1.5
301.14465	3.3
309.17078	1.5
311.15182	1.1
319.15445	2.0
335.15125	1.5
337.16617	3.5
353.15930	5.5
353.25458	1.1
355.17642	6.9
365.21167	1.8
375.18161	1.2
383.22284	3.9
391.17340	1.7
393.19131	1.5
401.23224	4.1
409.18619	2.9
411.20297	3.8
414.12692	1.9
427.19824	2.6
440.27499	1.7
457.25745	8.1
475.26855	16.5
493.28000	22.7
545.27087	2.4
583.29224	2.5
601.30182	2.6
619.31274	13.6
637.32220	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	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87173	0.3
69.52432	2.3
69.76720	0.3
87.27759	0.3
97.07542	0.3
97.64394	0.3
133.53479	0.3
177.68082	0.3
199.56860	0.4
368.87714	0.4
387.16080	0.6
389.17764	0.7
390.18665	0.4
391.19693	0.7
399.16550	0.5
401.17709	0.8
402.18542	0.9
403.19446	1.9
404.20374	0.6
405.20877	0.9
407.22263	0.4
415.19290	1.5
416.20264	1.0
417.16211	0.5
417.21576	2.1
418.21869	0.9
419.22501	2.1
428.21097	0.5
429.17017	1.2
429.21689	0.8
430.17297	2.5
430.23001	0.5
431.18158	4.0
432.18774	0.7
432.23489	1.2
433.20081	0.6
435.21985	0.7
443.18173	2.8
444.19086	3.7
445.20172	11.6
445.63092	0.4
446.21259	2.9
447.22311	1.6
457.20193	0.6
458.21002	9.9
459.21692	7.0
460.22955	7.5
461.19626	4.2
462.20935	0.9
473.23892	0.8
475.21420	3.0
476.22260	1.6
477.23175	2.5
486.24548	0.5
487.25333	0.7
489.18677	0.4
489.23358	0.5
490.24274	0.5
491.24188	1.8
503.20004	0.4
503.25391	0.5
504.25122	1.4
505.22635	1.2
513.22833	0.4
517.22711	1.5
518.23053	7.1
521.22418	0.4
530.23297	1.1
531.23901	0.6
532.24469	0.6
533.25751	3.1
535.23102	1.9
545.25562	3.1
546.26385	2.6
547.27026	0.5
549.25220	0.8
560.25031	0.4
562.25793	0.5
573.25018	1.1
577.28516	3.3
590.25903	0.4
591.26215	0.4
592.26703	0.9
605.27655	16.8
606.28339	1.0
637.30243	100.0
638.30695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.7
59.05019	0.6
59.30375	0.5
69.81594	1.7
69.82007	1.2
81.07043	0.7
83.08656	0.5
89.06030	0.6
95.08618	1.0
107.08654	0.6
109.10170	0.6
252.79112	0.6
389.17871	0.9
400.16806	0.5
402.18332	0.8
403.19211	1.3
404.20197	1.0
405.20837	1.5
414.18219	0.6
415.19385	2.6
416.20325	0.9
417.20978	3.4
419.22507	2.3
427.19437	0.8
428.15976	1.2
429.16565	1.1
429.21463	1.0
430.16980	2.6
431.18057	4.8
432.23563	1.5
433.19879	0.9
434.20798	0.7
443.18188	4.3
444.19092	3.4
445.20084	13.2
446.21552	2.9
447.22324	1.2
457.20364	1.5
458.21027	13.8
459.21667	9.5
460.22855	9.5
461.19312	3.1
471.21945	1.2
472.22882	0.6
473.23416	1.5
475.21356	3.2
476.22202	1.6
477.22766	2.9
487.25418	1.1
491.24539	2.4
503.21017	1.1
504.25070	0.7
505.22278	1.6
517.22827	1.9
518.23035	9.3
530.23022	1.3
531.24493	1.1
533.25385	3.1
535.23419	1.1
545.25494	5.1
546.26569	3.5
547.26917	0.8
549.25330	1.0
562.26093	0.7
573.25159	1.6
577.28375	7.1
592.26593	1.2
605.27637	62.2
606.28552	1.7
614.55621	0.5
637.30267	100.0
638.30725	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53685	0.5
57.07071	0.6
59.05006	6.6
59.89235	0.6
69.18028	2.6
69.18457	2.6
71.08618	0.9
75.79037	0.5
81.07049	0.7
145.11160	0.5
158.09888	0.6
177.17531	0.6
309.12869	0.6
319.05072	0.6
389.17471	1.3
390.18619	0.6
391.19254	1.2
402.18655	0.6
403.19431	1.6
404.19989	1.3
405.20853	5.3
406.21585	0.9
415.19443	0.9
417.16394	4.4
418.17593	1.3
419.18414	1.2
419.23318	0.7
430.17850	0.6
431.18057	4.9
431.23917	0.9
432.19165	5.6
433.20166	7.6
443.18906	1.0
444.19501	1.1
445.20309	3.1
446.21292	0.9
447.22021	1.1
457.20404	1.3
458.21353	1.4
459.22061	4.0
460.23395	0.8
461.19925	1.6
475.21307	2.1
476.22183	0.8
477.23727	2.6
489.23175	1.0
490.23657	3.0
491.24524	4.9
503.24545	0.9
519.23993	25.3
520.24945	0.8
522.39301	0.7
533.25757	0.9
535.23694	1.5
545.25732	2.1
547.23395	1.0
550.26123	0.9
551.26953	1.1
577.28143	13.6
579.25964	4.3
605.27722	2.7
637.30292	100.0
638.30377	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04959	0.3
62.14652	0.3
70.10424	0.6
70.10809	0.9
71.18801	0.3
79.69189	0.4
85.10170	0.4
85.22652	0.4
87.55906	0.4
93.07083	0.4
95.08643	0.4
107.08563	0.4
120.08052	0.4
129.99492	0.4
159.45454	0.4
209.10811	0.6
214.64627	0.4
223.12399	0.9
224.13158	0.5
237.10201	0.4
237.13910	1.3
250.11159	0.4
251.08211	0.7
265.13400	0.5
281.12738	0.3
302.12997	0.5
328.14639	0.4
340.14590	0.6
368.14069	0.4
370.15247	0.4
390.18634	0.7
391.19168	0.7
402.18185	0.4
403.19339	1.1
405.21115	1.8
406.21622	0.6
407.22412	0.9
415.19650	0.7
416.19965	0.4
417.16599	0.7
417.21454	0.7
418.18103	1.1
419.18671	1.5
419.23065	0.7
420.23538	1.8
421.24109	1.0
428.19992	0.7
429.20865	1.4
431.18921	1.2
432.19366	0.7
433.19693	3.7
434.21161	1.0
435.22058	0.7
444.23853	0.4
445.20334	2.9
446.21594	0.6
447.22665	2.6
448.22549	2.1
449.23737	0.6
459.22241	5.0
460.23132	2.5
461.19943	1.7
472.22589	0.8
473.19214	0.8
474.20407	0.5
475.21078	3.6
476.22031	4.6
477.22729	1.0
485.23364	1.3
486.24484	0.8
487.20889	0.5
488.21878	0.6
489.22971	1.0
491.24130	0.8
493.22070	0.9
502.24124	0.6
503.25049	2.2
504.21753	0.4
505.22336	0.8
507.23538	0.5
517.26086	0.8
519.24072	1.3
521.26099	2.2
531.24103	0.8
533.22058	0.6
534.26556	1.7
535.27930	2.4
545.25543	6.0
546.26318	2.2
547.26379	1.5
549.24744	0.6
561.24963	1.1
562.25775	4.0
563.26593	10.0
565.24567	0.7
573.24780	1.7
577.28162	7.1
579.26239	0.8
591.25909	0.7
594.28369	1.6
605.27771	5.8
606.28308	1.2
621.27032	2.0
622.27899	2.2
637.30219	100.0
638.30328	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54572	0.3
58.80630	0.3
65.17445	0.3
65.62472	0.3
69.23971	3.1
70.15079	0.3
102.04614	0.3
121.41502	0.3
179.07175	0.3
240.05788	0.3
350.28174	0.4
377.17905	0.6
386.16010	0.5
389.18127	0.9
390.18637	0.7
391.19308	2.1
392.19989	1.4
399.16092	1.0
400.16870	1.3
401.17822	1.8
402.19293	0.9
403.19226	0.9
404.20572	1.2
405.20755	4.3
406.21555	5.1
407.22324	0.4
412.18054	0.6
413.17593	1.9
414.18439	2.8
415.19272	4.7
416.20471	0.7
417.20911	1.4
418.21848	0.8
419.17615	0.4
419.23065	2.1
420.23141	5.3
421.23898	10.0
427.19336	2.1
428.20065	2.9
429.20868	13.3
430.22031	2.2
431.18463	1.2
431.22995	1.1
432.23758	0.6
433.19928	1.9
433.24133	2.3
434.24774	1.8
441.21503	0.6
442.22122	1.5
443.22601	7.6
444.23538	4.2
445.19876	3.6
446.20853	0.4
447.17255	1.8
448.22653	0.4
449.27747	0.5
452.22156	0.6
455.18787	0.9
456.19424	1.5
457.19162	1.2
457.23868	3.5
458.25021	7.3
459.21915	8.9
460.22815	4.9
461.19250	7.5
462.20038	0.4
470.21252	1.8
471.21744	1.3
472.22705	7.3
473.19598	2.4
473.24023	1.4
474.20029	0.4
475.20670	3.0
476.21893	5.5
477.26572	0.9
483.17996	0.5
484.19199	0.4
485.23492	15.9
486.20221	1.7
486.24194	3.3
487.20584	2.3
488.22049	5.5
489.22806	1.4
490.24249	0.8
491.24362	0.7
493.22394	0.7
498.21204	0.6
499.21356	1.1
500.22070	1.8
501.22653	0.5
502.23666	1.2
503.24454	18.8
504.21167	0.4
505.22299	0.6
507.27463	0.6
513.23022	3.4
514.23694	2.5
517.26123	9.2
518.23462	0.4
519.24109	0.7
529.26263	2.2
530.23145	0.8
531.23840	0.6
535.27136	24.5
536.27411	0.4
545.25525	79.1
546.25836	1.8
547.27405	0.5
549.25153	1.4
558.23035	0.4
563.26550	5.3
573.25012	20.1
574.25555	0.7
577.27844	0.9
578.29333	0.6
603.11902	0.4
605.27631	66.1
606.28027	1.4
637.30255	100.0
638.30743	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2663
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
71.37882	0.6
76.65249	0.2
104.89355	0.3
209.10709	0.4
221.10677	0.5
233.10582	0.4
235.12221	0.4
277.12283	0.4
312.14987	0.3
314.65900	0.3
318.91315	0.3
374.16357	0.5
377.17535	0.5
378.18613	0.6
385.14566	0.4
386.15738	0.5
387.16196	0.9
388.17990	0.6
389.17929	0.8
390.18982	0.3
391.19284	1.4
392.20032	1.2
393.21014	1.6
397.14856	0.3
399.16202	1.5
400.16959	2.3
401.17740	3.4
402.18652	0.6
403.19543	0.4
405.21042	0.7
407.18555	0.3
407.22464	2.6
411.15979	0.5
412.17776	0.5
413.17743	2.5
414.18738	4.3
415.19434	7.0
416.20200	1.0
417.20697	1.3
419.18723	0.9
421.20236	2.4
425.17749	1.3
427.20117	1.4
428.20389	3.5
429.15881	0.5
429.21338	7.3
430.21997	2.6
431.18262	0.6
435.21545	2.2
436.22708	0.5
437.17746	0.4
439.19284	0.4
441.16556	1.4
442.17984	1.1
443.18381	3.3
443.22696	3.2
444.18732	4.6
444.24481	0.6
445.20340	2.1
447.18271	0.9
448.18674	0.4
455.18753	1.0
456.20087	1.3
457.20682	4.7
458.21143	3.6
459.18100	0.9
460.18811	0.6
461.19312	0.7
469.16678	0.6
471.22327	6.8
472.23288	4.5
473.19583	4.2
474.20462	1.0
475.16898	0.4
476.18359	0.4
483.17905	0.4
484.18869	0.6
485.19901	2.7
486.20563	5.9
487.21289	2.7
488.21893	1.0
489.22742	1.3
490.20016	2.5
491.20508	0.7
498.20578	0.6
499.21432	9.2
500.21918	2.3
501.23450	0.6
502.19965	0.8
503.25110	3.1
504.21704	0.4
513.19452	1.6
514.20013	1.1
516.21704	1.3
517.22485	3.6
521.25653	0.4
527.20935	2.7
528.21783	1.4
530.23639	0.5
531.24017	13.0
541.22449	0.7
543.23956	1.7
544.21344	0.6
545.22125	0.7
549.24738	1.1
559.23480	82.2
560.23444	2.1
569.03119	0.3
577.25031	0.4
587.22925	13.9
605.23663	0.5
619.25574	100.0
620.25800	2.2
637.26654	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	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55427	0.7
59.27131	0.7
59.51444	0.7
62.28084	0.7
67.05513	1.5
70.63840	2.3
73.49998	0.7
79.05504	1.5
83.45896	0.6
91.08751	0.6
93.07050	1.0
95.04958	0.8
105.07082	0.9
109.10094	0.7
119.08648	0.9
200.88402	0.8
240.92747	0.7
349.00967	0.8
374.16870	0.9
386.15442	0.8
387.16357	0.9
388.18097	1.0
391.19345	1.6
393.21088	1.2
399.16357	1.4
400.17133	2.5
401.17740	3.5
405.20871	1.2
407.22409	2.7
413.17786	3.2
414.18546	4.0
415.19308	7.6
419.18671	1.7
421.20239	2.8
425.17764	1.0
427.19592	1.3
428.20132	2.7
429.21533	7.3
429.34567	0.8
430.21445	2.3
435.21939	1.7
441.17401	2.0
442.17850	1.2
443.18115	2.9
443.22583	4.9
444.18881	5.2
445.20450	1.1
447.18387	1.1
456.19748	1.3
457.20526	4.3
458.21225	3.0
459.18082	0.9
461.19812	1.6
471.22278	5.6
472.23410	5.3
473.20023	2.8
474.20407	1.3
484.19150	1.0
485.19955	2.6
486.20547	6.0
487.21442	2.1
488.21823	1.1
490.20142	2.3
499.21338	9.0
500.21884	2.7
501.22800	1.2
503.24747	4.0
513.18756	1.3
516.22412	0.8
517.22540	3.7
521.25659	1.2
527.20685	2.5
528.21936	1.6
531.24030	11.7
543.23834	1.4
549.25055	0.8
559.23456	84.7
560.24054	2.1
577.25104	1.0
580.13959	1.0
587.23022	15.5
619.25568	100.0
620.26172	1.5
637.26654	18.4
637.41077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24983	1.0
53.78387	1.0
56.96574	0.8
57.27990	0.8
59.05006	1.2
59.78703	0.9
62.33008	1.0
67.05505	1.4
71.52007	0.8
71.52440	1.5
73.30996	0.9
88.41424	0.9
89.06065	1.4
93.07021	1.3
96.53210	1.0
140.27144	1.1
176.14389	1.4
202.16013	3.2
203.16417	1.6
220.16977	1.8
221.17448	1.1
233.61893	0.9
278.15326	0.9
300.13708	2.7
302.65567	1.0
352.01666	1.1
363.04080	1.0
388.17566	1.2
391.19171	1.6
399.16476	1.9
400.17065	3.0
401.17599	3.0
402.18457	1.4
405.16599	1.1
405.21283	1.7
413.17596	3.2
414.18481	3.2
415.19400	9.0
416.20300	1.8
417.21173	1.2
419.18881	1.3
425.17081	1.2
428.19998	3.5
429.21634	6.3
430.21722	2.2
431.22913	1.4
441.17026	1.9
443.18372	4.0
443.22891	3.9
444.18683	4.7
445.20059	3.6
446.21072	1.3
447.17926	3.1
455.18814	2.2
456.19653	1.7
457.20279	4.2
458.21078	3.7
459.17688	1.2
461.19833	2.9
462.20389	1.3
471.22189	8.2
472.22641	3.5
473.19763	3.5
474.20340	2.4
475.21597	2.0
476.18634	1.2
485.19879	2.3
486.20551	6.8
487.21503	5.2
488.22385	1.7
489.23318	4.5
490.19885	4.1
491.20648	1.6
499.21402	13.7
500.22495	1.9
501.23154	5.4
503.24854	2.1
507.23999	1.4
516.21564	1.8
517.22107	10.0
527.20886	2.1
529.22559	3.8
531.24121	12.0
533.21655	1.5
535.23145	5.4
545.21698	19.6
549.24579	1.8
559.23456	83.7
560.23590	2.9
563.22998	1.8
573.21411	5.5
577.24542	7.9
587.22656	1.1
591.26123	1.4
605.23932	43.1
619.25482	14.0
637.26569	100.0
638.26740	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11232	0.4
69.42439	2.2
73.49754	0.3
80.49972	0.3
87.19637	0.3
91.05434	0.4
92.13694	0.3
95.08542	0.4
123.39986	0.3
132.07996	0.5
144.07956	0.4
195.09151	0.4
209.10805	0.4
210.11497	0.4
221.10660	0.5
225.10194	0.6
233.10896	0.4
235.08562	0.3
235.12294	0.4
247.12148	0.3
253.09840	0.5
259.12225	0.4
263.11749	0.3
310.13541	0.4
312.15051	0.5
362.15540	0.6
362.72141	0.4
363.16052	1.3
364.17404	0.4
374.16431	0.6
375.16418	0.8
376.17496	0.6
377.17621	2.1
378.18506	1.5
379.19351	0.6
385.14554	0.6
386.15503	0.7
387.16187	0.9
388.17618	0.5
389.18021	0.8
390.18460	1.1
391.19403	3.3
392.19946	2.5
393.20767	3.8
398.15454	0.7
399.16098	1.6
400.17075	2.7
401.17834	3.6
402.18433	1.1
403.19711	0.7
404.20151	0.8
405.21262	2.4
406.21542	1.0
407.17691	0.6
407.22400	6.2
408.23309	0.5
411.16315	0.5
412.17520	0.4
413.17767	3.1
414.18661	3.4
415.14658	0.6
415.19360	7.6
416.20050	1.1
417.20837	1.3
418.18015	0.6
419.18250	1.7
419.23083	0.7
420.19269	0.5
421.20157	4.5
427.14615	0.6
427.19177	1.6
428.20419	2.9
429.15845	0.5
429.21320	6.3
430.22345	1.8
431.18686	2.2
433.15680	0.7
433.20920	1.5
434.20770	0.7
435.21732	3.7
436.22552	1.2
439.19083	0.7
441.17236	1.4
442.17923	1.4
443.18335	2.7
443.22638	2.8
444.18808	3.7
445.20651	3.2
446.21259	0.5
447.18027	1.6
447.22296	1.1
448.18802	0.7
456.19522	1.3
457.20737	4.1
458.21494	3.2
459.17487	2.2
460.18494	0.7
461.19574	2.3
463.21072	0.9
469.15982	0.8
470.17191	0.6
471.22412	6.3
472.23395	3.4
473.19653	5.5
474.20657	2.8
475.16431	1.8
475.22363	0.7
476.18396	0.8
483.18085	0.6
484.18622	1.0
485.19995	3.6
486.20673	4.8
487.21985	2.4
488.22208	0.8
489.18927	2.1
489.23233	1.8
490.19525	4.1
491.20859	1.5
499.21371	9.1
500.17902	1.0
500.22147	1.7
501.22763	1.4
502.20004	1.2
503.20984	1.3
503.24484	2.2
511.21262	0.6
513.19299	5.3
514.20258	1.2
516.21674	1.6
517.22473	14.3
518.23169	0.9
519.20319	0.6
521.25195	1.3
527.20758	2.9
528.21765	1.2
529.22363	1.1
531.24524	10.4
541.22479	0.6
543.23615	1.6
544.21606	0.5
545.21802	1.4
549.25043	6.3
550.26263	0.5
555.19940	0.5
559.23438	57.0
560.23755	1.5
577.24213	2.0
578.25427	0.7
587.22931	11.4
588.23877	0.5
591.26196	4.4
605.23865	6.3
609.26965	0.5
619.25543	60.7
620.25665	0.6
637.26593	100.0
638.27032	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2662
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.11799	0.4
67.05495	0.6
71.52100	0.5
71.52443	0.5
77.46659	0.4
81.07077	0.5
93.07032	0.6
112.99956	0.4
223.12154	0.6
329.03171	0.5
389.17722	1.6
401.17981	1.3
402.18463	1.2
403.19363	1.9
404.19937	1.0
405.20828	1.0
415.19479	0.7
416.16098	0.7
417.17099	1.9
417.21014	1.8
419.22656	3.2
429.16605	0.9
430.17429	0.5
431.18268	3.9
432.19440	1.0
435.18610	0.7
445.20090	4.5
446.21271	2.5
447.22449	2.1
449.19864	0.7
457.16232	0.9
461.16223	1.7
462.16461	0.7
463.21548	3.3
475.17892	2.3
476.18631	1.6
477.19379	1.5
478.23087	0.5
489.18152	2.3
490.19797	7.2
491.20728	10.8
503.20804	4.2
504.21689	1.1
517.22302	1.9
533.25562	6.9
535.19922	0.9
549.21887	1.3
559.23236	0.7
577.24487	26.9
578.24908	0.7
593.27802	1.7
605.24524	1.3
609.28058	0.6
619.25287	1.1
628.51440	0.5
637.26569	100.0
638.26849	2.2
657.08032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01872	1.9
55.05516	12.7
55.05764	1.8
57.03442	11.5
57.07066	1.9
59.04993	4.9
61.02916	3.9
64.70495	1.1
65.03925	2.1
67.05510	63.3
69.03430	6.8
69.07070	7.9
70.72833	1.0
71.04980	4.0
71.52113	1.2
73.93757	1.0
79.05494	14.9
79.45950	1.0
81.03424	34.2
81.07059	22.9
83.04999	7.4
83.08623	17.0
85.02917	19.2
85.06525	2.9
89.06013	1.5
91.03941	2.4
91.05484	18.7
93.07050	12.3
95.04980	14.1
95.08613	13.9
97.02894	5.9
97.06544	6.0
97.10181	3.0
99.04462	1.3
100.07610	1.2
104.83849	0.9
105.07034	14.1
105.32263	1.0
107.04961	2.2
107.08607	7.4
109.02900	1.3
109.06496	2.2
109.10164	57.9
109.66307	0.9
110.10494	1.3
111.04462	2.6
111.08092	7.0
111.29404	1.2
113.05991	1.9
117.07012	1.3
119.08594	14.5
121.02843	1.8
121.06492	1.7
121.10166	7.8
123.08075	2.0
123.11692	3.0
125.09619	1.5
127.03907	2.2
129.07002	6.5
131.08586	7.1
133.06497	2.7
133.10149	6.9
135.08023	1.1
135.11638	2.1
137.06009	1.3
137.09587	1.5
142.07822	1.4
145.02887	1.4
145.10100	3.2
147.04396	2.0
147.08043	1.9
147.10829	1.0
147.11703	9.6
149.09584	3.9
149.13370	1.1
151.11215	1.9
155.10629	4.9
157.10133	8.1
159.11661	1.4
161.13231	1.5
163.11270	1.6
165.12805	2.0
173.11775	15.3
173.13223	2.1
175.11218	10.0
177.05513	2.1
187.14862	1.1
193.12253	24.4
211.11354	2.2
211.13309	35.5
211.15305	2.1
215.89008	1.1
229.14372	56.5
267.15930	12.2
277.21552	1.6
285.16977	27.8
299.09061	5.1
299.14987	1.1
335.25836	3.7
352.32281	1.6
353.26788	4.6
370.33197	4.3
403.24722	1.2
421.25946	15.1
439.26938	100.0
440.27338	1.8
601.26233	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01873	2.1
55.05521	8.2
55.33915	1.3
57.03440	2.2
57.07072	2.8
66.22122	1.1
67.05519	11.2
69.03438	6.0
69.07076	14.4
71.04992	3.5
73.83939	1.2
75.13544	1.0
79.05500	9.8
81.03413	4.2
81.07070	21.4
83.08622	7.2
85.02914	2.1
85.06539	1.7
88.79460	1.1
89.06026	2.3
91.05476	7.6
93.07055	19.7
95.04993	2.6
95.08620	32.6
97.10177	6.5
99.08102	11.7
105.07035	8.9
107.08608	36.6
109.06537	2.9
109.10179	11.7
111.08082	6.1
113.09640	2.2
116.52135	1.1
117.07027	2.9
119.08560	5.3
121.10162	50.4
123.11715	3.0
125.09657	6.4
129.06985	1.3
131.04846	1.5
131.08592	3.9
133.10126	4.4
135.11687	14.3
137.13283	7.1
139.11330	1.3
143.08548	2.2
144.07288	1.3
145.10120	4.2
147.11690	2.7
149.13290	5.8
159.08035	1.9
159.11684	2.7
161.13315	1.4
171.11652	1.6
173.13258	2.9
175.11200	1.6
175.14774	1.5
177.16409	100.0
185.13263	1.6
187.14632	1.3
195.17488	20.5
211.14880	1.5
213.18550	23.2
223.14677	1.4
233.37561	1.2
259.20581	1.5
269.54037	1.4
303.23120	2.5
315.23285	1.3
341.24582	1.7
351.23245	1.5
369.24313	5.3
387.25272	4.1
405.26529	2.9
451.78281	1.5
526.97949	1.3
537.37378	1.8
635.40619	1.9
658.80817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01877	11.0
55.05511	16.0
57.03449	5.1
57.07083	1.2
59.04995	3.3
61.02920	1.9
61.58358	0.9
65.03931	1.9
67.05508	17.5
69.03435	16.9
69.07079	5.6
69.91963	1.8
69.92361	2.8
71.01343	2.3
71.04996	7.0
73.02913	1.9
79.05500	25.5
81.03425	66.9
81.07066	16.0
83.01354	7.2
83.04989	15.1
83.08617	10.3
85.02908	11.5
85.52216	1.0
87.00821	2.6
89.06036	1.6
91.05487	17.6
93.07049	23.7
95.04977	8.1
95.08601	9.1
97.02886	14.6
97.06544	6.8
97.10183	3.5
99.04453	7.1
102.84148	1.2
103.05474	1.1
105.04542	1.6
105.07050	11.1
107.04962	10.7
107.08595	17.4
109.02882	18.3
109.06519	5.2
109.10162	4.6
111.04452	6.1
111.08125	2.6
115.05506	1.0
117.07034	8.3
119.04923	1.1
119.08584	8.5
121.06539	2.5
121.10168	9.1
123.04398	2.4
123.08077	5.6
125.06036	1.8
125.09656	3.2
127.03925	14.3
129.07034	2.7
130.07852	1.4
131.08559	4.2
133.10149	4.3
135.04451	1.6
135.08066	2.0
135.11691	14.0
137.06029	1.6
137.09654	2.1
138.03148	4.4
139.07549	1.3
145.10143	11.8
147.04398	2.2
147.08098	1.9
147.11737	2.1
149.09596	2.8
153.05478	100.0
153.12784	7.4
155.08522	2.3
161.09717	1.4
163.03862	1.1
163.11195	19.2
165.01871	3.0
165.05487	1.5
171.11749	1.1
173.04465	4.7
173.09628	3.4
177.05579	0.9
179.03435	4.1
181.12190	6.3
183.02888	1.9
188.52791	1.0
189.11354	1.9
191.03444	3.7
191.10716	4.2
202.56514	1.0
209.11778	9.4
223.13281	1.5
227.12819	12.3
253.05159	1.4
270.05344	2.6
283.15414	5.4
285.07721	3.6
298.04733	2.0
301.06763	1.5
313.07050	45.8
314.07104	1.0
325.16605	1.7
331.08121	42.7
335.15042	2.1
353.16010	13.9
387.14389	20.0
391.17804	1.3
399.21490	1.5
409.18542	4.8
438.26532	1.3
463.26965	1.3
473.25354	2.5
491.26569	4.5
561.12592	1.4
579.13611	8.0
617.16492	1.2
617.29370	1.8
635.30585	77.9
635.39264	2.7
636.30615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01868	3.8
55.05517	11.2
57.03441	11.9
57.07065	1.3
59.05010	5.1
59.65039	1.0
61.02925	4.0
64.01145	0.8
64.53319	0.8
65.03937	1.8
67.05510	65.3
69.03423	2.4
69.07065	3.7
70.95975	1.0
71.05001	5.3
71.52448	1.5
73.02924	1.5
75.20771	0.8
79.05497	11.6
81.03435	8.1
81.07064	16.1
83.01344	5.1
83.04998	6.1
83.08196	1.4
83.08629	9.6
84.74155	0.8
85.02918	8.1
85.06544	2.4
91.03954	2.9
91.05476	10.2
93.07046	17.4
95.04984	4.6
95.08607	9.2
97.02924	5.0
97.06535	4.0
99.04449	2.8
99.08102	1.1
105.07032	5.9
107.04956	4.1
107.08603	10.3
109.02824	1.2
109.06529	5.1
109.10164	59.8
111.04436	1.6
111.08075	3.3
113.33125	1.0
116.07039	1.0
117.07002	4.8
119.08588	11.8
121.06484	1.9
121.10149	4.6
123.08076	5.8
125.05996	1.6
125.09722	1.1
127.03915	2.1
129.07037	1.6
131.08533	2.9
133.10133	1.9
135.08063	1.7
135.11708	7.6
137.09619	5.0
145.10138	10.6
147.08089	2.1
149.06090	1.1
153.12770	2.3
155.08630	1.6
155.10724	5.1
159.11652	1.5
163.11191	14.9
173.09605	1.9
173.11768	15.0
181.12282	2.4
191.10652	1.9
209.11755	3.2
216.99265	0.8
227.12743	3.2
227.62468	0.9
229.14366	80.4
283.15417	75.6
283.20020	1.4
351.24945	1.5
437.25397	100.0
438.25220	1.1
524.05554	1.2
574.26947	1.2
602.27081	1.3
616.14905	3.0
620.92157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
57.07069	0.4
81.07062	0.4
93.07047	0.3
95.08622	0.5
107.08591	0.3
109.10135	0.5
209.10730	0.5
223.12350	0.5
224.13042	0.5
229.71098	0.5
234.11569	0.4
235.12260	0.6
237.13908	0.5
240.32185	0.3
249.10031	0.4
249.13959	0.5
362.16391	0.4
389.17758	0.9
390.18478	0.5
401.17661	0.5
402.18536	0.9
403.19052	2.4
404.19885	1.0
405.20889	1.3
415.19437	1.1
416.15817	0.7
416.20419	0.8
417.16302	0.8
417.21362	3.4
418.21588	1.1
419.22351	1.7
429.16644	0.5
430.17584	1.6
431.18109	5.0
431.23651	0.6
432.19431	1.5
432.24316	0.6
433.24408	2.7
443.18103	0.5
443.23151	0.5
444.19138	1.0
445.20068	7.2
446.20819	1.6
447.21909	0.9
458.21396	0.8
459.17282	0.8
459.22705	2.5
460.22745	3.1
461.23761	3.4
473.19672	1.4
473.24744	0.5
474.24542	0.5
475.21469	1.5
477.23135	0.7
487.20856	0.7
487.25992	0.4
488.22110	2.7
489.22842	5.7
490.23520	0.4
491.24799	0.5
501.22794	1.3
503.24713	0.4
505.22458	0.6
515.24390	1.0
518.22992	0.6
519.28058	0.6
532.24762	1.0
533.22406	0.5
543.23944	0.5
546.25336	0.6
547.27643	7.1
548.26776	0.4
549.24554	0.5
560.23798	0.5
563.22736	0.4
575.26575	22.6
577.24561	0.5
603.25940	1.7
607.29309	2.1
635.28680	100.0
636.28711	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2869
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
67.05499	0.6
71.23085	1.0
81.07047	0.5
90.65956	0.4
123.04233	0.4
156.70555	0.4
187.91725	0.4
221.10739	0.5
228.70894	0.5
389.17780	1.7
401.17938	0.6
402.18591	1.1
403.19232	3.9
404.19891	1.2
405.20862	1.4
415.15454	1.4
415.20105	0.8
416.15924	0.9
416.20615	0.8
417.16336	1.2
417.21387	5.3
418.21884	2.1
419.22433	4.3
429.17233	1.8
430.17520	3.4
431.18155	7.8
431.23672	0.7
432.19339	2.2
432.23615	2.0
433.24268	4.6
434.25214	0.5
443.18878	1.8
444.19312	3.0
445.20096	11.7
446.20779	3.4
447.21750	4.1
458.21323	1.1
459.21872	9.8
460.22607	10.1
461.23474	8.1
473.23306	1.8
474.24149	0.7
475.21365	0.5
477.23157	0.5
487.25778	0.7
488.22595	0.6
489.22913	1.2
491.24533	0.7
492.24976	0.7
503.20749	0.5
504.25732	0.8
505.21918	2.9
515.24249	0.8
517.22345	1.5
519.23315	4.1
531.23755	2.7
532.24854	1.3
533.25891	0.7
545.24719	0.5
546.26544	2.5
547.27118	20.0
557.25366	0.6
575.26611	1.7
577.24500	2.8
578.25867	0.7
585.25146	0.6
591.25940	3.2
605.27991	0.9
606.28400	13.6
607.29193	25.1
635.28668	100.0
636.28680	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50657	0.3
53.03947	0.6
55.01872	0.5
55.05504	0.7
57.03414	0.4
59.04990	0.5
67.05516	1.9
69.03424	1.4
69.07088	1.6
70.06575	0.6
71.05004	0.5
71.52074	0.3
72.72997	0.3
77.02287	0.2
79.05476	0.8
81.03411	1.3
81.07070	2.3
83.04976	0.6
83.08625	0.5
84.08105	0.4
85.02916	1.7
85.06556	0.6
87.00806	0.5
87.04463	0.3
89.06041	0.3
89.91692	0.3
90.06321	0.3
91.05470	1.2
93.07024	1.2
94.06623	0.3
95.01322	0.4
95.04978	0.4
95.08602	1.2
97.02874	1.0
97.06532	1.3
99.00813	0.5
99.04466	0.6
99.08100	0.3
105.07047	1.6
107.08593	1.3
109.02872	1.3
109.06513	0.4
109.10172	0.8
112.01607	0.6
117.07000	0.5
119.04939	1.0
119.08591	0.9
121.02856	0.3
121.06503	0.6
121.10191	1.4
122.06017	0.5
123.08105	0.3
124.07613	0.3
127.00269	0.5
127.03933	1.5
128.06241	0.6
129.06993	0.4
130.69438	0.3
131.07039	0.3
131.08568	0.7
133.10114	0.8
135.08131	0.4
135.11670	0.7
137.02354	0.6
137.05928	0.3
137.09613	0.5
137.12164	0.3
140.01071	0.4
140.07104	0.5
141.06982	0.5
142.07877	0.3
143.08575	0.8
145.02823	0.4
145.06560	0.5
145.10172	0.9
147.04387	0.7
147.11713	0.7
149.02356	1.2
149.09651	0.6
149.13397	0.4
151.07501	0.3
151.11177	0.3
153.06952	0.7
155.08551	2.3
157.06494	0.4
157.10081	0.4
159.02908	0.7
159.04108	0.3
159.08034	0.5
159.11720	0.5
161.09599	0.5
161.13287	0.4
162.05057	0.3
163.03876	0.3
163.11148	0.3
164.07056	0.4
165.07011	1.1
165.09108	0.3
166.02640	0.4
167.07068	0.5
167.08505	0.4
167.85718	0.3
168.00552	7.6
168.05736	0.7
169.01338	9.4
169.06442	1.5
170.07259	0.4
171.08022	0.9
171.11652	0.4
173.13272	0.3
177.05452	0.7
179.03473	0.5
179.10606	0.3
181.05009	0.7
182.07236	0.5
183.02901	21.6
183.08072	8.5
183.38490	0.3
184.08829	3.1
185.09615	1.2
186.01617	4.5
187.07538	0.5
194.02150	1.9
195.02950	0.3
199.07520	0.4
209.04422	2.5
211.07515	2.4
237.05730	0.3
239.12018	0.4
250.11017	0.3
251.11769	1.1
263.07233	0.3
263.11835	0.7
264.12698	0.5
265.04965	0.3
265.13400	1.2
266.10324	0.4
270.05283	1.0
277.08862	0.3
282.05219	0.5
283.06271	0.4
283.10715	0.5
286.04675	1.0
291.06540	0.4
293.12854	0.5
295.06064	0.8
297.07983	0.4
298.04837	1.1
301.03830	0.4
301.07184	1.0
306.08807	0.9
307.09729	0.7
309.04285	0.4
309.07556	1.3
309.12372	1.2
310.04745	2.1
311.13873	1.5
313.07071	3.1
316.07257	0.3
317.08044	1.2
319.06012	3.1
321.11441	0.5
323.05521	1.0
323.09210	0.5
324.06192	0.8
324.09979	1.3
325.07111	2.4
325.10693	0.4
331.08191	0.6
333.07559	1.3
334.08405	3.4
335.08932	0.6
337.07111	11.6
337.11673	1.1
338.12366	0.5
339.12683	3.1
349.10767	2.5
350.07678	0.4
351.08667	5.1
352.09436	5.6
365.10287	0.8
367.11792	100.0
368.12094	1.3
369.14532	1.2
371.16055	1.9
385.12869	5.1
416.19382	0.4
432.19312	0.5
460.18649	2.2
462.20203	0.6
468.66943	0.3
480.21384	3.9
492.21280	3.1
512.24591	0.4
601.26819	2.3
615.16803	1.0
633.11469	0.5
633.34192	1.2
644.39423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01875	0.5
55.05499	0.7
56.18103	0.2
57.03433	0.4
57.07078	0.3
57.85500	0.2
59.05007	0.3
61.02929	0.2
65.03928	0.3
67.05511	1.2
68.99792	0.5
69.03435	1.7
69.07082	1.0
69.53867	0.5
69.54279	1.0
69.57553	0.2
70.06590	0.4
70.22977	0.2
71.04980	0.7
72.08166	0.3
73.02917	0.3
76.62276	0.2
79.05495	0.7
81.03425	1.7
81.07067	1.5
83.04991	0.3
83.08625	0.4
85.02443	0.3
85.02916	3.3
85.06540	0.3
86.09700	0.2
87.00824	1.0
89.06042	0.3
91.05482	1.5
93.07045	1.3
95.04982	0.4
95.08607	1.3
97.02883	1.5
97.06523	0.6
99.00809	0.3
99.04452	0.7
103.03953	0.3
105.01849	0.5
105.07030	1.6
107.04942	0.4
107.08614	1.3
109.02876	1.1
109.06514	0.5
109.10171	1.1
115.05481	0.2
116.06193	0.2
117.07024	0.4
119.04932	1.6
119.08578	1.1
121.06519	0.3
121.10117	0.8
123.04359	0.2
123.11703	0.4
125.05955	0.2
125.09666	0.2
127.00275	0.3
127.03923	1.9
129.06985	0.3
131.08575	0.5
133.08614	0.3
133.10118	0.7
134.03653	0.5
135.04463	0.2
135.08012	0.5
135.11665	0.4
137.02351	0.4
137.05983	0.3
139.11197	0.2
140.07097	0.5
141.06969	0.4
143.08524	0.3
145.02867	0.7
145.04979	0.6
145.06216	0.2
145.10143	0.7
146.08095	0.2
147.04419	6.0
147.08025	0.3
147.11674	0.6
149.02306	0.3
149.05940	0.3
149.09608	0.2
149.13275	0.3
151.03868	0.3
153.01880	0.2
155.08539	0.7
155.10641	0.3
157.10040	0.3
159.02907	0.5
159.11673	0.4
161.05916	0.2
161.09647	0.3
163.03802	0.3
163.11180	0.4
165.01846	0.3
165.05510	0.6
165.07001	0.4
167.07060	0.9
168.00519	2.6
169.01337	3.4
169.06509	0.4
171.08084	0.5
171.11679	0.3
173.13226	0.4
175.03973	0.2
177.01770	0.3
177.05455	0.8
183.02898	7.4
183.08061	2.7
183.11691	0.2
184.08844	1.3
185.09647	0.8
186.01651	1.4
187.07503	0.4
194.02127	1.0
199.07631	0.3
200.04700	0.4
201.05446	0.5
203.03395	0.7
205.12291	0.6
207.06499	0.2
209.04407	0.5
211.07579	0.9
215.06989	0.3
221.04494	0.8
223.13293	0.3
231.05032	0.2
235.07744	0.2
236.06830	0.5
253.05110	0.5
253.08641	0.3
255.06644	0.3
256.07281	0.2
257.04340	0.3
259.09769	0.2
261.09268	0.4
265.13779	0.2
267.06628	0.7
269.04437	0.6
269.07996	0.3
270.05249	1.5
271.06000	0.3
277.08829	0.4
278.09140	0.2
279.10364	0.3
281.04977	0.2
281.07996	1.1
282.05255	1.2
283.06085	1.2
285.07541	0.4
286.04675	0.7
287.05359	0.3
289.08490	0.5
291.06445	0.3
292.07346	0.5
293.04541	0.4
295.06070	1.0
295.09479	0.5
297.04178	0.4
297.07587	0.9
298.04767	5.6
299.05518	0.5
300.06281	0.7
301.07074	1.6
305.08200	0.3
306.08939	0.6
307.09607	0.6
309.04089	0.5
309.07419	2.5
310.04822	3.3
310.08154	0.4
311.05502	0.4
311.09134	0.3
311.12817	0.3
313.07050	14.7
314.07608	0.3
315.05231	0.4
315.13464	0.9
317.08069	0.5
319.05969	1.3
319.23422	0.2
320.06888	0.9
323.05405	0.9
323.08859	0.4
324.06165	0.7
324.10074	0.6
325.07126	5.3
325.10791	0.7
329.06622	0.2
331.08279	0.4
333.07709	1.0
334.08395	3.0
335.09113	0.9
337.07074	13.6
338.07928	1.3
339.08444	0.9
339.12372	2.1
345.09674	0.9
349.10745	2.6
350.07886	0.3
351.08646	2.8
352.09421	8.6
367.11780	100.0
368.12225	1.4
371.16193	0.5
372.16937	0.3
385.12830	19.7
386.13315	0.2
393.70541	0.2
480.21259	0.5
492.21387	0.6
511.23175	0.6
512.24182	0.2
517.10754	0.3
601.26447	0.6
615.16290	0.4
633.32635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.6
57.03432	4.7
57.07084	97.8
58.04218	10.7
59.05008	41.2
67.05511	6.7
69.07062	9.3
71.08640	100.0
71.52306	3.2
72.05782	15.9
73.02916	9.9
73.06570	24.9
79.05491	5.8
81.07057	9.7
82.07861	5.0
83.04920	3.8
83.08636	9.0
85.10192	82.3
87.04483	35.0
88.05285	3.6
89.06048	44.8
90.01929	65.9
91.05500	4.1
93.07027	8.1
95.08623	8.7
97.10178	4.8
99.11757	5.1
101.06043	3.3
103.07597	17.5
103.60381	3.4
107.08577	8.6
109.10181	8.0
116.08357	7.0
117.09128	19.7
119.08562	5.7
121.10171	3.4
123.08128	5.0
131.07062	4.0
133.08598	23.0
133.10217	5.1
138.14081	4.2
141.16371	6.4
145.10138	3.6
147.10182	4.0
159.11635	3.8
161.11803	3.5
165.11256	4.1
169.15991	7.5
175.09755	3.1
177.11238	8.4
178.07164	9.5
194.13783	3.3
198.19815	4.8
199.20560	6.8
208.15459	6.7
221.15508	4.6
222.09865	16.5
222.17067	7.8
223.15259	3.6
238.16534	5.1
252.18024	5.3
266.12311	4.5
278.09634	3.1
285.18008	3.9
296.20782	5.3
310.22238	12.4
317.13446	3.8
326.21671	5.3
340.23218	4.5
348.31082	7.0
356.22955	4.8
363.16519	3.4
392.33652	10.9
416.21219	8.8
480.38885	17.6
631.43414	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01863	0.6
55.05502	0.4
57.03420	0.4
59.05006	0.2
61.02904	0.5
65.03931	0.3
67.05506	1.1
68.99783	0.9
69.03432	2.1
69.07062	0.5
69.38113	0.7
69.38542	0.9
70.06583	0.2
71.04987	0.4
73.02921	0.3
79.05474	0.8
81.03432	1.6
81.07044	1.3
83.04949	0.3
83.08595	0.3
84.02058	0.2
84.08141	0.6
85.02905	3.3
85.06539	0.5
87.00837	1.3
87.04459	0.4
91.05466	0.8
93.07032	0.9
93.66518	0.2
95.01308	0.3
95.04945	0.5
95.08610	1.4
97.02888	1.1
97.06528	0.8
99.00818	0.5
99.04459	0.8
99.08073	0.2
105.01865	0.9
105.07022	0.8
107.04928	0.3
107.08598	0.9
109.02895	1.5
109.06519	0.4
109.10200	0.5
112.01583	0.5
115.05468	0.3
119.04926	1.1
119.08571	0.5
121.02776	0.3
121.06452	0.4
121.10144	0.4
123.08030	0.3
123.27937	0.2
125.05981	0.4
127.00246	0.6
127.03936	1.5
129.06964	0.4
129.88837	0.2
131.04922	0.3
131.08542	0.4
131.96809	0.2
133.10127	0.6
135.08066	0.5
135.11731	0.3
136.07587	0.3
137.02386	0.2
137.09673	0.3
139.11150	0.3
141.06967	0.5
143.08585	0.6
145.02789	0.3
145.04965	0.7
145.06447	0.4
145.10127	0.8
147.04506	0.4
147.11639	0.2
149.02318	0.9
149.06029	0.2
149.09538	0.3
151.07593	0.4
153.01830	0.4
153.05467	1.2
153.06876	0.4
155.08562	1.4
157.06578	0.3
157.10136	0.4
157.71504	0.2
159.02892	0.3
159.08080	0.8
159.11690	0.5
163.07498	0.2
163.11171	0.2
165.07001	0.7
168.00542	5.7
168.05658	0.4
169.01332	7.1
169.06444	1.3
169.10190	0.4
170.07253	0.3
171.08038	1.1
172.08861	0.3
173.05911	0.2
173.13318	0.3
177.05396	0.5
177.12639	0.3
181.01357	0.3
181.05003	0.5
181.06456	0.3
182.07219	0.4
183.02895	15.1
183.06511	0.5
183.08072	6.1
183.13838	0.3
184.08818	2.6
185.09630	1.4
186.01610	3.2
187.07571	0.5
194.02100	2.1
195.02809	0.3
199.07558	0.4
203.14377	0.2
207.06487	0.3
209.04448	1.9
211.07489	2.0
221.04486	0.3
231.04906	0.3
251.06943	0.2
254.34152	0.3
261.09122	0.4
263.06982	0.5
265.04910	0.3
269.04437	0.3
270.05176	0.5
271.06097	0.3
282.05188	0.5
284.03101	0.3
286.04739	1.6
287.05338	0.2
289.08685	0.3
291.06631	0.3
295.06070	0.8
296.06683	0.3
297.07495	0.3
298.04666	0.7
301.07080	2.7
306.08829	0.7
307.09659	0.6
309.04156	0.5
309.07590	1.4
310.04727	4.4
311.05371	0.4
311.13248	0.3
313.07025	2.4
317.07919	0.8
319.05991	2.2
321.11258	0.4
323.05563	0.7
323.09137	0.6
323.12598	0.3
324.06265	0.6
324.10040	0.9
325.07077	5.0
331.08243	0.4
333.07617	1.3
334.08386	3.2
335.09167	0.7
337.07062	16.9
339.08698	0.4
339.12299	2.0
345.09723	0.4
349.10739	2.3
350.07571	0.3
351.08649	5.2
351.12805	0.3
352.09402	5.7
365.10077	0.5
367.11774	100.0
368.12137	1.0
371.15735	0.3
385.12808	5.7
567.00275	0.3
633.33862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01876	1.1
55.05514	9.6
56.47313	0.9
57.03431	2.8
57.07077	4.4
57.73976	1.0
65.03941	1.7
67.05509	16.4
69.03429	1.8
69.07073	16.5
70.88666	3.1
71.01342	1.4
71.04995	3.1
71.08637	1.3
71.57619	1.0
73.02913	3.1
75.04491	1.4
77.03924	1.1
79.05492	12.3
81.07059	34.4
83.04990	2.7
83.08629	9.1
85.02909	14.3
86.17492	0.9
87.04449	1.1
91.05470	15.7
93.07047	29.3
95.01331	5.2
95.04971	2.6
95.08611	69.1
97.02869	1.4
97.06484	1.4
97.10173	3.6
103.05466	1.0
105.07037	37.3
107.08601	49.9
109.10161	40.9
111.04424	3.0
111.08092	2.7
113.02364	5.1
117.07039	5.7
119.08588	66.8
121.10155	37.9
123.08037	1.5
123.11707	15.9
125.06026	1.1
125.09620	1.3
129.05498	2.3
129.07025	3.0
129.15414	1.1
130.07788	2.1
131.03415	2.6
131.08580	15.5
133.10136	38.8
135.11696	26.5
137.13286	6.0
139.07581	1.4
141.01842	11.1
142.07793	1.8
143.08566	6.1
144.09378	1.9
145.04961	1.4
145.10133	43.1
147.06538	1.3
147.11700	49.6
149.13243	14.9
151.11205	1.4
153.09070	1.2
156.09439	1.2
157.10136	12.1
158.10930	2.5
159.02911	2.7
159.11703	44.3
160.12479	2.2
161.13264	46.4
163.06122	1.1
163.11116	1.6
163.14821	14.2
165.12784	1.1
169.10025	1.3
170.10948	1.6
171.11665	10.1
172.12483	1.8
173.13274	36.1
175.11234	1.7
175.14848	21.8
177.16367	7.2
179.10709	2.2
183.11728	2.2
185.13263	17.3
186.14020	1.3
187.14832	34.3
189.12849	1.4
189.16394	44.4
191.10674	1.8
191.14325	1.7
191.17960	42.4
193.12247	7.2
197.13225	3.3
199.14857	11.3
200.15451	1.0
201.16403	55.7
203.10744	1.9
203.17973	41.1
205.12267	5.2
205.16003	1.1
205.19499	3.8
207.13805	26.1
211.14845	3.1
213.16400	7.6
215.17976	12.0
217.12209	2.6
217.15955	1.1
217.19485	6.6
219.13817	26.3
219.17204	1.3
219.21043	2.4
221.15387	4.2
221.18982	1.2
225.16382	2.6
226.17227	1.5
227.18027	5.4
229.15929	1.7
229.19545	16.6
231.13846	8.7
231.21106	13.2
233.15388	14.7
235.16975	3.1
239.18074	1.4
240.77875	1.2
241.19571	7.1
243.21118	6.1
245.15413	7.2
245.22552	2.2
247.16940	36.9
249.18575	2.3
255.21185	4.7
257.15274	1.6
257.22525	2.0
259.16962	2.4
261.18356	1.3
269.22733	5.8
273.18506	1.4
275.20108	3.8
283.24261	3.0
287.20068	17.8
293.12259	1.5
299.20023	1.6
301.21561	2.2
313.21710	2.6
315.23233	2.2
318.90286	1.1
326.98160	0.9
327.23291	1.2
341.24838	2.8
381.28293	1.2
383.15176	1.3
391.33578	8.0
395.29697	1.1
409.34769	5.0
419.33112	1.6
437.34174	100.0
438.34488	1.9
455.35263	2.4
475.30780	1.0
585.37805	1.7
596.80310	1.0
631.38483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75609	0.7
54.33383	0.7
55.05519	2.3
55.97869	0.7
57.03437	0.8
57.07081	61.6
59.05007	14.4
67.05495	0.9
68.88746	0.7
69.07063	1.9
70.96439	1.2
71.08640	57.4
73.06554	2.6
79.05542	0.8
83.08612	2.2
85.10191	54.8
87.04477	12.7
89.06040	100.0
91.07600	0.9
93.07075	0.9
97.10181	0.9
99.11745	4.4
103.07599	7.2
107.07101	1.5
109.10214	0.9
117.09138	3.7
130.08669	1.3
131.07059	5.1
131.10732	1.3
133.08617	71.3
135.10252	0.9
141.16388	6.1
145.50208	0.8
155.17937	0.9
161.11839	1.1
175.09692	5.0
177.09653	1.8
177.11232	32.3
199.20607	7.6
221.13831	8.9
225.48705	0.8
239.14885	1.5
243.23329	5.4
265.16486	1.5
283.17480	1.9
287.25797	1.0
309.19083	2.3
327.20139	2.4
371.22556	2.1
397.24283	1.7
415.25391	18.4
426.43845	0.9
455.28546	4.9
613.45166	3.7
630.47980	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	631.1084
Annotation	Strychnobiflavone
Peak:m/z	Relative Intensity
53.03956	0.5
55.01886	0.3
55.05510	0.6
59.04997	0.5
63.25572	0.3
67.05512	1.1
68.99805	1.1
69.03434	0.8
69.07081	0.9
69.35297	2.3
71.04989	0.3
72.08202	0.3
78.71376	0.3
79.05507	0.7
81.03433	0.9
81.07063	2.3
83.05000	0.8
83.08631	0.3
84.08163	0.4
85.02910	1.1
86.01560	0.4
87.04488	0.7
91.05501	1.1
93.07056	1.2
95.04992	0.8
95.08632	1.3
95.26448	0.3
96.76150	0.3
97.02921	1.3
97.06542	0.9
98.20773	0.7
99.04479	0.4
105.03415	0.4
105.07058	1.1
106.02929	0.9
107.05033	0.4
107.08624	1.2
109.02885	0.6
109.06506	0.3
109.10172	0.8
112.01631	0.3
117.03418	0.4
117.07043	0.3
119.05020	0.4
119.08614	1.0
121.02880	0.8
121.06567	0.4
121.10174	1.1
123.04456	1.2
123.11787	0.4
124.03943	2.6
125.06048	0.4
127.03935	0.7
131.08612	0.6
133.10202	1.1
134.03679	0.8
135.08102	0.5
135.11737	0.4
137.02386	2.6
137.06017	0.7
137.09578	0.4
139.00328	0.8
145.02841	0.5
145.10144	0.7
147.04454	0.7
149.02391	1.3
149.09683	0.5
149.13347	0.4
151.03946	0.7
151.07454	0.3
153.01909	0.9
159.11703	0.4
161.02403	0.6
163.03885	0.4
165.01900	0.9
167.07076	1.4
167.39883	0.3
168.00572	1.5
169.01350	2.2
171.04431	0.4
173.13266	0.5
175.11375	0.4
177.05550	1.4
181.05090	0.4
183.02950	3.2
185.00807	0.4
186.01660	1.1
186.31773	0.3
187.04115	0.4
193.08635	0.4
202.02667	0.4
227.03398	0.3
239.03455	0.5
241.05106	0.4
244.03752	1.0
252.04257	0.3
253.05093	0.5
265.04922	0.5
268.03754	0.7
268.08249	1.2
269.04416	0.5
270.05292	0.5
273.03961	1.0
279.03122	0.5
286.04840	0.6
287.05621	0.9
293.04498	1.7
296.03207	0.5
297.04041	0.9
298.04712	0.6
301.03763	0.7
301.07242	1.5
302.04382	0.9
302.17572	0.4
307.06006	0.5
309.04227	0.4
311.05746	0.8
312.06400	1.4
314.04318	0.6
315.04929	0.5
317.06644	1.0
319.06079	0.6
321.04272	0.5
323.05563	0.7
331.05954	0.5
333.07913	0.4
335.05618	0.6
336.06387	0.6
337.03299	0.5
339.05118	0.6
346.04767	0.5
347.05576	0.6
348.02533	0.4
359.05396	0.4
360.06616	0.9
361.07156	0.6
363.05234	0.6
364.05905	0.6
366.03702	1.3
374.04163	0.4
375.05096	0.6
376.05893	0.4
377.06699	1.7
380.05786	0.5
389.06543	1.7
391.04715	0.9
392.05219	1.9
395.04071	0.9
401.06870	0.5
402.07663	1.8
403.08685	0.5
405.06094	2.8
406.06992	1.3
416.05240	0.4
417.06061	1.1
418.07181	0.4
420.04718	6.4
421.05768	1.1
423.03418	1.8
429.05994	0.5
430.07111	2.0
431.07751	0.9
433.05417	0.9
434.06409	4.2
435.07159	9.0
438.06036	0.8
443.07794	0.5
447.03540	1.4
451.02945	0.4
457.05698	0.7
460.04379	0.5
465.04483	2.5
471.07355	0.6
481.05450	0.6
482.06314	0.6
499.06622	1.1
507.06729	0.5
525.08185	1.3
527.06366	1.4
545.07465	1.0
545.32593	0.7
553.07782	0.9
555.05573	2.0
570.07990	0.9
573.06842	1.1
581.06989	2.2
583.04944	0.4
584.05627	0.5
585.10370	0.5
587.34082	1.5
594.35913	0.5
598.07495	1.7
599.08197	1.2
599.25061	0.6
601.06146	2.7
613.09937	2.1
616.08698	1.1
630.31519	0.5
631.10864	100.0
631.32849	8.0
632.11426	1.4
637.36572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01874	1.5
55.05513	15.6
57.03447	5.8
57.07066	5.1
59.05004	11.6
59.06137	1.3
60.68376	1.1
67.05502	18.4
69.03423	2.3
69.07074	80.2
71.05003	9.8
71.52371	2.1
73.02916	1.2
73.06557	1.7
73.72109	1.0
79.05501	16.5
81.03396	1.0
81.07064	29.2
82.75291	1.2
83.04976	6.4
83.08624	20.3
85.02899	1.8
85.06530	4.0
87.04482	6.4
87.08118	1.3
89.06040	55.9
91.05470	6.0
93.07051	37.6
95.04910	1.5
95.08618	27.0
97.02892	1.3
97.06538	35.9
97.10204	1.8
99.04456	1.8
99.08081	1.6
101.06004	3.6
101.09666	1.6
103.03993	1.1
103.07640	1.2
105.04549	1.1
105.07018	2.3
107.08601	36.3
109.10174	13.3
111.08093	10.5
111.11738	10.5
115.07570	2.8
117.09132	3.9
119.08599	2.7
121.10138	2.9
129.09143	1.9
129.12753	1.9
129.76547	1.3
130.08600	1.5
131.07060	2.6
131.08626	1.5
133.08614	42.6
133.10133	2.2
135.11703	85.1
139.11214	1.8
147.11667	1.6
149.13177	1.3
153.12758	100.0
168.32169	1.3
171.13812	95.5
171.30153	1.2
175.09630	2.2
177.11224	19.3
193.15747	1.3
197.15393	29.2
209.11787	1.3
211.16969	4.1
212.16431	2.2
215.16396	7.3
221.13870	4.5
229.17998	31.6
239.14792	2.7
255.19577	1.7
282.58490	1.5
283.17535	2.2
287.22192	7.0
327.20175	20.7
348.55350	1.2
367.23120	4.5
385.24509	5.6
479.32346	1.5
630.44177	6.7
651.71466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
53.39953	2.0
55.01868	5.0
55.05513	27.0
57.03442	10.6
57.07079	11.3
58.98902	1.5
59.04991	4.3
65.03944	4.2
67.05509	84.9
68.05826	2.4
68.44772	1.9
69.07066	26.6
71.04977	3.4
71.08636	45.5
73.06535	1.8
79.05500	69.4
81.03410	7.3
81.07061	83.2
82.07379	2.3
83.04988	7.2
83.08620	15.0
85.06522	3.2
85.10168	5.8
87.04479	2.0
88.19067	1.9
89.06044	4.6
90.01905	2.6
91.05486	51.8
92.05823	1.9
93.07051	87.2
94.07404	2.8
95.04980	10.9
95.08614	59.4
97.06545	12.7
97.10197	8.2
99.08106	28.5
103.05511	2.0
105.04523	2.9
105.07035	43.8
106.07394	2.4
107.04942	11.3
107.08603	47.5
108.08942	1.9
109.06518	4.1
109.10172	20.1
111.08076	3.6
113.09614	2.4
115.05466	2.3
117.07005	14.4
117.09125	2.0
119.08588	30.0
121.06541	3.3
121.10155	34.5
123.08066	4.5
123.11684	6.4
125.09650	1.8
129.06987	5.6
131.08575	25.7
133.10133	22.9
135.08099	3.0
135.11702	31.7
137.09644	3.6
137.13242	3.7
141.09109	4.0
143.08563	7.4
145.10135	18.4
147.11697	14.9
148.12003	1.9
149.09628	3.8
149.12192	2.3
149.13268	15.3
151.11188	13.4
155.08580	3.9
157.10138	5.2
159.11708	12.8
161.13266	15.9
163.11201	5.2
163.14798	7.4
169.10135	3.1
171.11707	3.6
173.11810	3.3
173.13269	6.9
175.14841	7.1
177.12721	3.6
177.16426	4.3
179.14328	61.9
183.11768	2.5
185.13277	3.4
187.13290	1.9
187.14880	4.4
195.11743	2.2
199.14839	4.6
201.16507	1.9
215.17883	2.3
219.17392	9.4
220.17795	8.4
221.15282	3.0
231.21135	2.4
233.22829	2.4
241.19472	3.8
243.21077	13.7
259.20569	6.1
261.22119	12.2
275.20148	3.6
276.20450	3.9
277.21634	48.7
295.22702	4.5
317.24741	9.8
335.25812	54.5
336.26086	6.6
337.26669	5.7
351.25320	47.3
396.13736	1.7
439.35309	2.2
483.63074	1.7
513.39288	5.6
515.36938	4.4
519.42151	2.2
529.38696	3.2
531.40509	5.5
557.41705	2.2
611.46631	100.0
612.47443	2.7
629.29291	4.7
629.47766	26.6
644.59412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
53.33090	2.1
55.01876	4.8
55.05513	34.8
55.65683	2.1
57.03445	22.3
57.07071	6.9
57.61166	2.4
58.97171	2.3
65.03947	6.5
67.05510	100.0
69.07078	38.9
71.05000	8.1
71.08647	7.1
71.52733	2.8
77.28677	2.7
78.43756	2.5
79.05502	59.9
79.05971	2.9
81.03418	3.0
81.07067	97.7
83.04982	6.6
83.08632	24.6
85.06541	8.2
89.06021	3.4
91.05487	59.5
93.06479	5.2
93.07050	65.6
95.04977	8.9
95.08615	89.7
97.06545	9.3
97.10160	12.6
99.08103	10.4
105.04500	3.1
105.07039	59.4
106.40522	2.5
107.04964	4.9
107.08598	43.9
109.06535	7.3
109.10160	29.8
109.23328	2.7
111.08109	6.9
113.09686	2.6
117.07014	22.9
119.08601	49.3
121.10150	31.0
123.08057	5.0
123.11727	9.0
125.09634	7.5
128.06241	3.3
129.07016	14.3
131.08586	32.8
133.10146	33.3
134.74677	2.6
135.08099	4.8
135.11702	16.0
137.09648	5.2
137.13293	3.8
143.08566	16.0
145.10152	41.0
147.08052	3.0
147.11713	21.6
149.09653	10.1
149.13318	6.8
153.07196	2.5
155.08617	7.6
157.10138	19.6
159.11711	22.1
161.09569	2.9
161.13297	11.2
163.11255	3.1
163.14876	4.7
165.12775	2.5
169.10168	9.2
171.11676	15.7
173.13313	13.5
175.14845	8.1
181.10071	2.5
183.11728	11.0
183.41563	2.7
185.13290	12.5
187.14854	10.5
189.12790	3.0
189.16284	3.1
195.11722	3.2
197.13315	5.1
199.14810	4.1
201.16432	9.3
203.14304	4.8
205.15910	5.5
211.14807	3.6
213.16360	4.6
215.17952	5.3
217.19415	3.6
219.17464	11.1
227.12881	7.0
227.16173	3.5
229.19530	5.1
239.17950	5.8
255.17111	2.9
257.19049	15.8
259.20697	3.4
267.15936	3.1
275.20035	37.0
277.21765	3.8
293.21060	2.4
319.26349	2.9
331.22647	3.2
335.25845	4.2
337.27420	56.3
349.23822	21.9
517.38837	9.5
519.41858	2.9
531.40601	8.5
537.42871	6.7
543.40479	7.1
545.42029	2.9
555.44006	5.1
557.42133	20.6
593.46082	6.3
611.46777	82.2
629.27203	3.2
629.47729	67.9
629.56207	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.25955	1.4
55.01862	2.2
55.05519	7.9
57.03434	6.9
57.07078	98.2
59.04708	3.6
59.05002	52.3
67.05510	17.3
68.05827	2.2
69.07082	7.5
70.95821	2.7
70.96161	2.9
71.08635	100.0
79.05498	15.7
79.68234	1.6
80.05829	1.8
81.03435	3.4
81.07059	17.9
82.07378	2.3
83.08618	7.5
85.10188	91.0
87.04458	3.9
89.06039	25.9
91.05457	9.8
93.07043	11.5
94.07389	2.7
95.04977	2.3
95.08616	10.4
96.08958	2.6
97.10172	4.1
99.08109	3.6
99.11734	11.3
101.09680	5.1
103.07566	3.3
105.07021	11.7
106.07413	2.6
107.04938	1.6
107.08595	8.1
108.08979	1.9
109.10158	5.3
111.11759	2.0
117.07027	4.5
117.09148	19.4
118.12244	1.5
119.08553	7.3
120.08887	2.0
121.10126	4.6
123.11730	1.8
125.09626	1.8
128.06235	1.6
131.08577	6.3
132.08940	2.1
133.08617	29.1
133.09579	1.8
133.10150	5.5
134.10489	2.2
135.11679	1.8
141.16391	12.8
143.08582	1.6
145.10100	4.9
146.10364	2.4
147.11705	4.2
149.09624	3.3
157.10223	3.9
159.11682	4.2
169.10130	1.9
171.11693	3.5
173.13271	2.7
177.11201	5.1
185.13232	2.7
187.14764	1.5
189.11324	1.8
199.20580	30.1
221.13828	2.3
239.14876	12.4
240.23227	2.6
256.21405	1.5
257.24777	42.7
275.20078	5.1
276.20425	4.2
279.18027	1.8
297.19162	6.0
299.46524	1.5
315.29044	3.3
335.25891	2.1
336.26135	3.1
355.23380	2.6
516.38214	2.3
518.40839	2.1
530.39294	8.0
610.45496	16.8
611.46228	2.7
628.28827	2.3
628.46332	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	629.2249
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05577	0.5
61.39238	0.7
71.51913	0.6
71.52304	0.6
82.88219	0.6
95.50037	0.7
116.28317	0.5
133.22696	0.6
188.27522	0.6
385.60934	0.6
397.13303	2.5
398.14090	1.4
399.14978	1.3
409.13382	1.3
410.13754	3.2
411.14545	8.4
411.19241	0.7
412.15414	5.0
413.16104	5.5
423.14740	1.8
424.10895	0.8
424.15540	2.3
425.16376	18.0
426.16946	9.4
427.17642	3.5
428.18643	4.9
429.19510	0.8
437.16708	1.5
438.13272	2.7
438.17984	1.2
438.22574	0.7
439.13660	22.1
440.13831	1.0
440.19077	9.0
441.19339	46.3
442.19614	1.5
452.14325	3.6
453.15469	26.8
454.15967	6.2
456.18127	1.2
463.14200	1.3
465.15753	0.8
467.17203	32.5
468.17990	22.7
469.18784	12.2
470.19510	0.8
471.16977	1.0
472.17911	0.9
480.18134	1.0
481.14722	11.4
482.15915	2.6
482.21213	1.1
484.21988	3.9
485.17648	1.5
486.19424	0.6
495.17102	2.3
496.17401	13.3
497.18329	2.1
498.19052	1.5
499.20026	1.3
500.20856	5.5
509.18707	1.6
512.21082	3.4
513.21631	8.1
514.22119	0.9
523.19897	1.8
525.21222	0.7
526.18634	1.1
528.20032	0.8
531.90021	0.7
537.18848	1.0
541.20917	48.4
542.21375	1.6
554.17957	1.3
569.20325	100.0
570.20520	2.8
572.18878	0.9
573.23376	2.9
597.19763	35.7
598.20392	1.0
600.21729	1.5
601.13385	0.8
601.23029	16.1
629.22247	98.7
630.22473	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.02424	1.0
57.07081	2.6
59.05001	2.1
61.19979	0.8
67.05511	2.4
69.07071	1.2
69.46721	1.9
69.47128	5.9
71.08630	2.7
81.07063	2.3
83.04988	0.9
83.08652	1.2
85.10190	1.4
87.04479	1.5
89.06052	2.5
89.73219	1.1
91.05505	1.5
93.07095	1.7
95.08629	1.6
100.58303	1.1
105.07054	1.7
107.08619	1.1
111.08105	1.2
116.63676	1.0
119.08599	1.5
121.10175	1.4
131.07047	1.8
133.08617	1.4
145.10150	1.0
147.11598	1.2
159.11627	1.0
206.70929	1.0
242.00957	0.9
424.15228	1.2
425.16321	3.9
426.16693	3.2
427.17667	3.2
437.16315	1.3
437.66101	1.0
438.16910	2.1
439.18237	7.9
440.18417	6.8
441.18866	1.1
452.14194	5.3
453.15540	28.5
454.15167	1.5
454.20154	3.5
455.20929	35.5
456.21326	1.2
466.16284	1.9
467.17053	30.2
468.17758	9.1
479.18057	1.2
481.18732	7.0
482.19293	36.4
483.19904	3.6
485.18347	1.4
494.18613	1.6
495.20758	1.4
508.19513	1.5
514.21844	2.0
528.23645	3.4
541.24487	4.3
553.22162	7.4
554.21478	1.3
569.24054	93.9
570.24323	4.1
597.23248	2.7
600.21924	3.2
601.26746	4.3
629.25977	100.0
630.25745	1.9
632.06451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
51.59050	1.4
51.72820	1.6
53.03944	8.6
55.01878	9.3
55.05517	21.4
57.03446	13.4
57.07071	7.2
57.27811	1.5
59.04992	3.2
65.03934	5.3
65.37028	1.8
67.05511	74.9
69.07072	27.5
69.16245	5.7
69.16660	10.9
71.04997	3.8
71.08636	4.2
73.02923	2.8
79.05495	53.9
81.03412	5.1
81.07062	77.4
82.07386	2.0
83.04978	4.2
83.08621	10.2
85.06543	5.3
85.10172	3.7
91.05488	57.5
93.06487	3.4
93.07053	54.0
95.01320	2.0
95.04983	9.4
95.08618	54.9
97.06535	18.6
97.10173	4.3
98.20811	4.4
99.04446	2.5
99.08092	2.2
105.04520	3.3
105.07037	58.1
107.04947	9.0
107.08604	30.0
109.06505	8.5
109.10156	16.9
115.05491	2.0
117.07034	16.3
119.07809	2.8
119.08591	35.8
121.06537	2.6
121.10146	20.6
123.08046	3.9
123.11672	4.8
125.09567	2.1
129.07016	4.1
130.07867	2.3
131.08577	25.9
133.10136	27.4
133.89380	1.6
135.08026	3.1
135.11702	12.0
137.09633	3.1
143.08592	3.8
145.10121	16.9
147.11685	14.4
149.09622	4.9
149.13252	5.4
151.11125	2.7
153.12735	2.2
157.10138	4.0
159.11731	11.9
161.13287	6.0
163.11201	3.6
169.10136	1.8
171.11697	2.9
173.13269	6.0
175.14786	2.1
177.12820	2.4
179.14326	7.5
185.13243	4.9
199.14848	2.0
201.16504	3.4
203.14378	2.9
203.95221	1.9
219.17450	85.8
229.14413	2.1
239.17944	2.2
257.19077	5.9
275.20081	57.8
293.21219	4.0
306.72400	1.9
315.76712	1.8
335.25812	100.0
338.27679	2.1
349.23798	21.8
377.28284	1.7
437.09787	1.6
442.21164	1.7
492.37354	2.5
528.29956	1.7
529.38983	2.1
609.45172	75.1
627.45874	7.3
627.65771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
53.68203	2.4
55.01879	14.0
55.05510	32.0
57.03444	12.6
57.07082	14.1
58.94604	2.2
59.04998	3.9
65.03941	5.7
67.05511	83.6
69.07076	36.5
71.05004	6.9
71.08637	46.1
79.05499	64.8
79.39422	2.3
79.56046	2.3
81.03430	6.7
81.07066	90.4
83.04990	8.1
83.08627	20.1
85.06564	2.8
85.10178	4.1
89.06052	3.3
91.05486	73.0
91.06026	4.5
93.07053	83.2
95.04975	12.4
95.08617	64.3
96.08990	2.3
97.06551	20.4
97.10183	7.1
99.08094	27.3
105.07040	73.5
107.04976	10.4
107.08612	45.6
109.06526	8.3
109.10165	24.6
111.08126	5.9
113.09695	4.1
117.07026	20.4
119.08590	48.2
121.06451	2.9
121.10157	34.2
123.08099	5.9
123.11719	6.9
129.07016	16.9
131.08563	40.9
133.10132	40.1
133.11087	2.7
135.08098	4.1
135.11693	26.1
137.09666	6.1
137.13220	2.8
141.07050	4.5
143.08566	18.2
144.09314	3.4
145.10144	35.8
147.08040	3.6
147.11682	28.3
149.09697	5.2
149.13258	11.9
151.11237	9.8
155.08586	9.6
156.09361	3.4
157.10150	15.0
159.11700	20.7
161.13283	24.3
163.11217	8.0
163.14885	5.7
169.10103	12.5
171.11711	20.3
173.13289	16.5
175.14844	10.7
177.12772	8.0
179.14323	36.3
181.10222	4.8
181.12180	2.6
183.11742	8.7
185.13242	15.6
187.14885	7.0
189.12839	2.8
195.11765	5.3
197.13379	8.3
199.14842	7.2
201.16475	4.3
209.13452	3.2
211.14832	4.0
213.16478	4.1
215.18253	3.8
217.19579	2.8
219.17503	5.9
225.16518	3.1
226.63722	2.7
231.21155	3.2
239.18011	2.8
241.19513	18.2
243.20940	2.7
251.17969	3.0
257.19000	5.6
259.20560	23.3
259.22580	2.3
261.22202	7.1
269.22693	3.3
275.20059	32.6
277.21631	28.7
277.24286	2.5
283.20511	2.6
293.21335	8.0
295.23114	3.2
297.22351	3.1
313.25635	3.2
315.23328	6.7
317.24686	3.5
333.24277	24.3
335.25858	23.6
336.25955	2.7
349.23721	19.1
351.25272	30.8
419.33252	5.0
425.34241	3.6
435.32867	3.5
437.34079	13.4
493.37332	4.2
506.68967	2.9
511.38046	9.6
513.35797	3.2
517.40906	5.7
529.39020	10.5
535.41638	9.2
553.42419	4.3
609.45105	100.0
627.27991	5.6
627.46307	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01872	13.9
55.05516	38.5
57.03441	26.9
57.07069	7.7
59.05001	6.2
63.18466	1.9
65.03940	4.9
67.05509	97.9
69.03432	3.3
69.07072	36.2
71.04990	9.3
71.08636	5.4
79.05498	100.0
81.03448	3.9
81.06587	5.1
81.07061	91.5
83.04963	17.4
83.08626	18.2
85.06533	4.4
85.10173	3.6
91.04912	2.9
91.05490	68.2
93.07051	95.6
95.04977	10.1
95.08612	75.7
97.06524	14.3
97.10179	13.8
99.08102	5.3
103.05441	3.6
105.07037	69.5
107.04983	12.6
107.08599	62.3
109.06506	6.6
109.10175	34.8
111.08090	8.9
113.09682	2.3
115.05499	3.3
117.07034	30.1
119.08595	52.8
121.06496	2.6
121.10150	35.2
123.08061	4.5
123.11704	10.5
125.09639	10.4
128.06300	2.9
129.07021	12.8
130.07697	2.3
131.08572	46.9
132.38310	2.2
133.10136	42.9
135.08075	5.5
135.11731	16.9
141.06989	4.8
141.52650	2.3
142.07848	3.0
143.08560	17.7
145.10139	34.3
147.11691	30.9
149.09637	24.5
149.13239	11.1
150.79289	2.5
151.11246	3.6
151.94879	2.5
155.08557	7.2
157.10120	18.0
159.11719	26.2
161.09682	3.2
161.13286	13.9
163.11168	4.5
163.14861	6.0
167.08649	2.8
169.10141	8.1
169.12279	2.2
171.11720	16.7
173.11842	3.5
173.13213	13.1
175.11226	2.3
175.14842	7.6
177.12772	2.4
177.16399	2.7
179.14273	2.6
181.10164	4.8
183.11726	12.5
185.13275	15.3
187.14835	8.6
189.11273	5.1
189.16461	2.5
191.14294	3.4
195.11705	4.5
197.13239	12.7
199.14885	6.4
201.16402	4.3
203.14342	4.4
205.15768	4.4
206.25926	2.4
209.13361	2.8
209.15311	4.2
211.14838	5.0
213.16411	5.3
219.17543	17.4
227.12813	4.1
227.17966	2.6
229.19551	3.6
237.16492	2.7
239.17935	6.5
239.45107	2.4
241.19582	3.4
257.19073	14.7
259.20554	4.5
261.22192	7.1
269.91104	2.3
273.18576	3.0
275.20093	56.1
277.21722	2.6
293.21017	2.7
293.38882	2.5
300.08054	2.2
315.23187	2.9
317.24841	2.7
333.24197	4.4
335.25830	68.1
349.23822	30.1
433.16266	2.4
515.37140	2.6
517.40698	4.9
529.38647	6.9
535.41479	5.4
541.38342	3.3
553.42767	3.5
555.40601	12.6
609.45117	86.6
610.45673	2.6
627.46246	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01877	4.5
55.05520	2.7
56.05046	4.0
57.03442	4.2
61.02935	3.2
62.95440	1.5
65.03954	2.9
65.11614	1.4
67.05519	7.8
68.05043	4.5
69.03430	10.2
69.07072	4.8
70.06600	4.1
71.04992	5.4
71.51089	2.4
73.02926	3.6
74.02432	2.8
79.05500	7.6
80.05040	2.0
81.03429	15.2
81.07056	10.6
82.06608	3.8
83.05006	2.2
83.08620	2.8
85.02907	18.8
86.09756	1.6
87.00845	6.3
91.05505	5.4
93.07045	10.1
94.06592	4.4
95.04987	9.4
95.08595	4.3
96.08134	4.3
97.02911	8.8
97.06560	2.6
98.06087	5.1
98.09708	3.4
99.04454	4.4
103.05392	1.5
105.01875	3.4
105.07046	8.2
106.06583	1.8
107.04950	14.4
107.08594	8.6
109.02866	8.7
109.06523	27.8
109.10159	10.2
114.05542	13.7
117.07079	2.9
118.06564	1.5
118.38144	1.7
119.08604	5.7
120.08089	2.0
121.06509	4.3
121.10162	9.8
122.06100	4.3
123.04474	1.6
123.08108	4.5
124.07592	3.0
126.05489	9.0
126.09165	2.2
127.03934	14.7
128.06206	1.7
128.07080	3.5
129.07025	2.4
131.08603	4.2
133.06537	3.4
133.10100	8.8
135.04433	2.4
135.08107	6.9
135.11699	3.5
137.05981	2.9
137.09604	2.0
140.07085	4.6
141.07074	1.5
144.06537	2.2
145.05026	4.3
145.06528	5.7
145.10132	5.8
147.04436	4.5
147.08066	7.4
147.11708	2.9
149.06021	17.1
149.09647	14.1
150.05557	6.5
151.07581	2.4
152.07149	2.2
153.09180	3.9
155.08589	3.1
157.10159	2.8
159.02931	3.5
159.08087	3.2
159.11650	2.0
162.09183	2.0
163.07494	1.5
164.07135	3.0
166.08714	1.8
167.07156	2.0
168.42160	1.5
171.08086	2.0
171.11708	2.0
172.06071	39.3
173.09653	11.1
175.11232	6.0
180.28319	1.7
185.09605	2.4
187.11230	3.7
188.10704	7.4
189.09149	2.1
189.12836	6.5
190.12355	5.7
191.14314	28.0
192.13882	2.0
193.15781	2.4
196.06050	8.1
200.10878	2.3
201.09166	2.4
201.12726	1.7
209.15378	32.4
215.14363	2.0
216.10298	4.5
217.08647	4.1
219.10149	7.7
231.04982	2.8
231.13869	2.8
234.11267	12.7
234.14925	3.0
236.12881	2.6
255.17470	1.7
257.19077	5.7
262.10764	53.7
272.20432	2.0
273.18515	2.0
274.21588	3.6
275.20221	2.4
276.12448	5.7
280.11847	7.3
280.16641	1.4
287.05664	2.0
288.12360	5.0
289.10751	4.4
290.21219	5.3
301.18097	3.1
302.13898	2.1
303.05103	2.2
304.05444	2.6
306.13382	6.1
318.20776	12.3
324.14578	10.3
326.17374	1.9
333.06030	2.6
334.06577	2.9
336.21671	7.3
344.18558	10.3
345.17023	2.8
362.19589	18.5
363.18137	5.5
380.20694	100.0
457.20789	18.1
542.26208	3.1
610.24481	3.2
628.26025	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	627.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
53.86451	1.9
55.01873	11.0
55.05510	15.3
57.03433	6.3
57.07066	8.8
59.05001	5.3
61.02920	4.6
62.94654	2.1
67.05183	2.7
67.05513	28.1
68.99780	3.0
69.03435	28.1
69.07074	78.8
69.63107	13.1
71.04984	7.2
73.02917	5.5
77.70800	2.3
79.05498	22.4
81.03064	2.2
81.03432	24.8
81.07060	90.4
83.04988	2.4
83.08630	10.7
85.02915	60.1
85.06548	60.8
87.00853	20.6
91.05470	9.5
93.06483	3.7
93.07043	41.6
95.04949	3.9
95.08611	68.0
97.02909	15.7
97.06548	12.1
97.10175	5.5
98.20808	4.4
99.04480	13.1
99.08096	17.7
105.01873	13.9
105.07030	20.0
106.12014	2.5
107.07893	2.8
107.08606	48.9
109.02885	16.2
109.06496	3.0
109.10163	45.5
111.08091	12.5
111.11734	25.4
113.09618	4.7
117.01846	2.6
117.07053	2.5
119.08585	21.8
121.06509	2.2
121.10162	36.0
123.11720	21.1
125.09611	9.6
127.02982	3.2
127.03923	49.3
127.11187	2.7
129.01802	4.2
131.08556	4.0
133.10152	18.9
135.11694	49.7
137.05969	8.8
137.13260	9.3
139.11203	28.2
143.10718	4.7
145.02878	9.2
145.04974	10.7
145.10097	7.8
147.11723	12.8
149.13274	24.3
151.14851	5.0
153.12758	40.3
157.12221	13.4
159.02882	10.7
159.11694	15.9
161.13269	12.6
163.14851	12.3
165.12733	5.3
167.14294	3.1
173.13287	8.0
175.14825	10.7
177.05489	15.4
177.16412	6.9
179.14375	3.3
187.14828	5.5
189.16440	7.2
191.17961	6.8
193.15927	5.2
195.17436	3.4
201.16454	3.4
205.19449	3.7
209.18999	2.5
211.16930	20.2
213.03946	2.7
213.18549	4.2
215.17914	3.2
229.17990	19.2
231.05000	5.7
239.20061	4.4
259.24399	2.5
271.24152	11.2
277.25378	10.1
286.04703	2.6
289.25269	29.5
295.26346	33.2
301.07117	3.6
303.04770	4.1
307.26312	78.6
313.27570	13.2
317.06540	4.4
318.06967	7.4
319.07104	5.6
325.27399	100.0
331.26218	2.2
343.28528	33.8
355.14447	2.2
501.28040	3.2
519.29559	2.7
537.30762	5.8
555.31415	5.2
573.32751	7.0
627.26550	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	627.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01892	12.6
55.02120	2.5
55.05529	20.2
56.89228	2.6
57.03438	6.4
57.07071	8.2
59.05001	4.6
61.02927	5.3
61.60461	2.4
65.03935	2.4
67.05521	26.2
68.99804	4.2
69.03442	26.1
69.07081	93.3
69.19710	20.4
71.05003	5.4
71.08600	3.1
73.02945	3.2
79.05504	27.7
81.03436	27.7
81.06593	5.0
81.07073	100.0
83.04986	4.1
83.08627	10.3
83.25245	2.5
85.02925	62.8
85.06088	5.0
85.06562	61.9
87.00842	22.6
87.04467	3.7
91.05505	12.5
93.07064	46.5
95.04945	3.6
95.08624	64.4
97.02906	17.9
97.06529	14.1
97.10155	4.4
98.20806	5.4
99.04477	12.2
99.08096	20.6
105.01894	15.6
105.07051	20.9
107.07893	2.8
107.08617	52.2
109.02901	21.4
109.10183	56.0
111.08121	14.2
111.11716	23.0
113.09684	6.1
115.07600	3.1
117.07011	3.5
119.08600	20.8
121.10149	39.0
123.11729	29.8
125.09671	14.6
127.03942	66.7
127.11260	2.9
129.01865	4.5
129.12674	2.4
131.08582	5.5
133.10153	15.8
135.11713	53.8
137.13277	11.0
139.11194	26.3
143.10646	4.6
145.02840	12.6
145.05000	12.4
145.10173	9.1
147.11702	14.7
149.13319	18.7
151.14865	3.9
153.12766	42.7
154.44269	2.7
157.10143	4.2
157.12221	15.8
159.02911	9.8
159.11702	13.3
161.13287	10.6
163.14862	11.5
165.12738	4.1
173.13297	7.3
175.14864	10.2
177.05510	32.1
177.12796	3.1
177.16428	7.7
179.14349	6.2
189.16408	5.6
191.18010	6.1
193.15935	7.8
195.17528	4.0
201.16444	4.2
203.18100	3.8
211.16934	20.7
213.18477	5.3
215.18011	5.3
221.19025	3.2
227.20119	3.8
229.18034	17.7
231.05048	7.3
239.20050	3.7
245.22775	3.1
251.20110	3.1
259.24408	4.0
263.23645	3.2
271.24249	9.9
277.25311	9.9
289.25369	36.5
295.26352	35.8
307.26407	75.8
313.27423	13.6
316.00363	2.9
317.06607	5.4
318.06583	3.3
319.07077	5.3
325.27426	95.0
331.87115	3.1
343.28494	34.8
374.55215	2.9
422.17664	3.0
449.59036	3.0
519.29547	3.4
537.30396	5.0
555.31494	6.3
573.32782	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	627.2822
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.25336	0.4
65.23637	0.4
67.05496	1.2
69.85849	2.2
79.05503	0.9
81.07046	0.7
91.05496	1.0
105.07062	0.5
107.08643	0.7
121.10159	0.9
122.06093	0.6
129.06989	0.5
130.06596	0.5
131.07344	0.7
132.08073	0.5
136.07610	1.6
138.09151	0.9
141.91325	0.5
145.08940	0.5
146.09680	1.0
151.81888	0.4
160.04039	0.5
172.07567	0.6
172.09904	0.7
173.10747	0.6
174.09180	3.7
182.09721	0.9
183.09216	0.6
185.07103	0.5
187.08640	0.9
187.12315	3.4
188.09309	0.7
188.10785	1.7
197.10736	1.3
198.09317	0.5
199.08694	0.6
200.09406	1.0
209.10811	0.5
211.08748	1.5
211.12425	0.7
212.09447	1.1
213.10245	0.7
215.11887	2.2
223.08835	0.9
224.09460	1.1
225.10139	2.5
227.08405	0.6
227.11766	2.5
229.09694	0.7
235.08771	0.9
237.06537	0.5
237.10313	1.2
239.11916	2.4
240.12621	0.7
241.09807	0.5
241.13341	2.1
243.11322	20.4
249.10370	1.7
250.11156	0.8
251.08171	0.5
251.11943	1.7
252.08934	0.7
253.09839	1.2
255.11229	0.6
263.11951	0.6
267.11313	6.6
269.09344	0.4
269.12985	2.0
277.09787	2.1
284.11642	0.6
285.12323	2.6
290.13770	0.7
291.11411	1.1
293.12851	0.8
295.10696	2.3
297.12512	0.6
300.11511	0.6
301.12473	0.8
301.15588	3.1
302.13016	0.5
304.10977	0.6
309.12451	1.3
313.12491	0.7
314.13205	0.8
316.10947	1.1
317.11594	1.0
318.12387	0.6
319.10843	1.1
320.14291	0.8
325.15594	5.9
327.13461	5.2
328.10895	1.1
328.14600	1.3
329.11688	1.1
330.12402	2.8
334.15533	0.8
341.11642	1.1
342.12491	3.2
342.16132	1.1
343.13232	2.9
344.14001	3.1
345.14902	0.8
346.15604	1.7
348.13284	2.3
351.13458	1.3
354.12466	0.9
355.13248	0.9
356.14005	3.4
357.14810	1.6
358.11792	0.8
358.15625	3.2
359.16351	0.8
360.17096	1.1
368.13910	0.9
369.15344	0.5
370.15686	1.5
371.16586	0.7
372.17130	4.2
374.14914	0.9
379.15900	0.5
382.15735	0.7
384.13129	0.8
384.17389	1.1
386.14954	1.5
386.18707	1.6
390.18579	0.6
398.14801	0.7
400.16895	2.4
403.16092	1.4
405.17300	0.6
407.14966	0.8
408.16251	0.7
416.16379	1.3
417.17139	1.2
418.18472	1.2
419.19135	1.1
420.16934	1.0
422.17822	1.4
428.16415	0.6
430.17844	1.0
431.18347	1.5
432.19568	2.9
433.20850	0.9
434.18216	1.0
435.13846	0.7
435.18686	0.9
436.19839	0.7
437.20230	2.2
444.19537	0.7
445.20471	0.5
447.22641	2.7
449.15314	1.0
449.20627	1.0
450.16461	1.1
451.17114	1.3
451.22314	0.7
452.17593	0.6
460.18628	1.0
461.23553	1.4
462.24222	1.6
463.22427	2.7
464.18347	0.5
465.18948	10.7
466.20010	0.9
475.21234	0.8
476.19635	0.5
477.19632	0.8
478.20294	1.2
479.20660	5.4
480.21185	3.8
481.22443	3.1
489.22675	1.3
490.22043	0.8
491.20074	0.9
492.21811	2.7
493.23444	2.4
493.68964	0.5
494.22763	1.0
502.20038	0.7
504.21161	2.3
505.21695	0.8
506.23380	0.8
507.24081	4.5
508.21371	0.7
517.22430	1.7
520.21313	1.1
521.24463	0.8
535.23566	5.1
541.23773	0.7
549.25055	10.2
552.23492	0.6
553.24432	1.6
567.26105	46.8
568.26923	0.6
577.24438	1.0
581.27405	0.6
595.25580	33.0
596.25677	0.9
609.27344	0.9
627.28198	100.0
628.28375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
54.69188	0.3
65.03905	1.0
67.05455	0.8
69.03384	1.2
69.07054	0.4
69.45560	2.4
79.05470	0.5
81.03426	2.9
81.07017	0.9
85.02860	1.2
86.09689	0.4
91.05435	1.0
93.06991	0.5
95.04914	1.4
95.08549	0.8
97.02910	2.0
97.06496	0.4
100.43071	0.3
103.43491	0.4
105.07011	0.6
107.04948	0.3
107.08558	0.5
109.02834	1.1
117.03371	0.5
119.04926	0.4
120.04414	0.5
121.02873	24.5
121.03820	1.1
121.10109	0.4
127.03863	1.2
128.07056	0.5
133.10085	0.5
137.05937	0.4
139.02965	0.3
139.03920	3.6
145.02789	1.2
145.04900	0.5
147.04413	0.5
148.87862	0.3
149.05956	0.3
159.11562	0.4
159.12775	0.4
167.07085	1.8
169.01271	0.7
177.05467	3.1
181.04895	0.6
181.84352	0.4
241.04964	0.5
251.11121	0.3
264.37701	0.4
265.07089	2.0
269.04437	2.0
269.12311	0.7
272.03149	3.0
283.05692	1.9
284.06705	1.3
286.04749	0.7
287.05447	5.4
294.05261	0.5
297.03952	13.4
299.05579	0.8
300.02744	1.0
301.07095	1.2
311.05573	1.0
312.06335	3.3
315.04993	45.8
316.05197	0.6
325.15106	1.4
330.07373	10.6
331.17926	0.4
345.09708	100.0
346.10086	1.3
417.15570	0.9
453.21130	0.4
474.47275	0.4
602.09192	0.3
627.29828	1.1
632.46082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01869	2.9
55.05508	5.6
57.03444	1.5
57.07080	3.2
58.27004	1.2
66.69306	1.3
67.05510	19.2
67.66084	1.0
69.07092	7.5
69.46927	9.2
71.05000	1.2
71.08625	2.6
79.05498	12.6
81.03454	3.0
81.07058	23.1
83.04972	2.0
83.08624	4.6
91.05498	15.1
93.07054	16.0
95.04999	3.1
95.08617	11.8
97.06554	3.4
97.10247	1.1
105.07030	12.7
107.04955	2.9
107.08602	7.7
109.06519	3.7
109.10184	4.7
117.07030	4.0
119.08588	7.5
121.10151	5.0
123.08111	1.9
123.11723	1.3
125.09652	1.4
129.07054	2.4
131.08575	5.0
133.10153	7.3
135.11691	3.5
143.08586	1.7
145.10123	3.9
147.11719	4.3
149.09636	2.2
149.13275	2.1
151.11183	2.4
157.10207	2.0
159.11742	2.8
161.13260	1.5
163.11209	1.3
165.32744	1.4
171.11729	2.4
173.13292	2.2
177.12770	1.4
179.14339	3.8
183.11719	1.4
184.61079	1.2
189.10367	1.3
193.12248	1.5
211.12500	1.7
219.17509	5.4
237.13982	1.9
247.13016	1.2
249.14082	1.9
275.20053	10.4
277.21680	2.7
293.21011	2.0
314.88809	1.5
326.16406	1.6
335.25949	7.6
339.17090	1.5
349.23831	4.6
352.17896	2.5
353.17822	2.5
365.18167	1.8
366.19360	1.8
367.19254	3.5
381.16928	2.6
381.21155	2.4
382.18060	2.5
383.22403	3.0
395.18826	4.6
397.20337	4.1
407.18298	1.4
409.20374	4.5
410.21384	1.7
411.21912	3.7
422.21265	2.6
423.21777	3.9
424.22675	1.5
425.19550	8.6
437.23428	4.9
438.20602	3.6
439.21289	8.8
440.22272	5.3
453.22964	3.6
454.24326	2.1
470.22986	2.3
483.24127	4.0
495.24133	1.8
497.25464	11.9
498.26288	5.2
511.23154	2.1
517.40240	1.7
525.25146	2.3
526.25836	3.6
529.39026	11.3
541.28186	10.9
551.26715	1.8
583.29163	15.4
584.26215	10.7
585.27130	100.0
599.28296	1.6
608.44336	1.6
609.45074	9.2
626.45685	1.6
627.28241	83.0
627.44348	11.6
641.65485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37527	1.4
58.86564	1.6
59.50127	1.5
67.05516	2.2
71.52431	1.9
79.05502	3.1
81.07043	2.3
94.01991	1.6
95.08611	2.0
104.07693	1.5
105.07040	1.6
121.98660	1.6
152.31834	1.4
174.09166	4.3
187.12386	5.3
188.10817	2.2
199.11610	1.4
211.08572	1.7
213.10020	2.0
215.11830	4.1
225.10376	4.2
225.19894	1.4
227.11836	2.2
239.11839	3.2
241.13437	2.6
243.11316	27.8
251.11859	2.3
253.09749	2.0
260.15558	1.7
267.11319	7.9
269.12943	2.0
277.09680	2.4
285.12463	2.7
295.10641	3.1
305.11667	2.1
315.13394	1.7
316.10904	2.3
319.10849	1.8
325.15549	14.3
327.13641	2.8
328.10803	3.0
330.12268	3.7
334.15540	2.3
341.92374	1.6
342.12354	5.8
342.16046	2.0
343.13315	4.5
344.14172	3.2
346.15625	2.7
348.13449	5.3
351.13251	2.6
356.13754	3.2
357.14874	2.3
358.15692	4.0
372.17209	5.4
386.18970	2.8
400.17029	3.6
408.16324	1.9
412.16885	1.7
420.16901	1.7
421.16699	2.4
432.19189	3.1
437.19699	3.5
445.20154	2.1
447.22534	2.3
449.20435	3.2
450.16815	2.2
451.17380	3.2
461.23575	2.4
462.23999	4.8
463.21466	5.2
465.18982	14.6
475.21585	1.7
478.20035	2.0
479.20328	8.5
480.21658	5.4
481.22531	4.0
490.20920	2.0
491.21521	2.0
492.21457	2.0
493.22458	4.7
504.21484	1.9
507.23926	5.0
508.21191	2.8
517.22241	2.3
520.21442	2.1
535.23608	7.6
549.25073	13.9
567.26093	93.2
577.24280	4.1
595.25580	100.0
596.25476	1.8
627.28168	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
61.02927	5.5
68.99793	0.6
69.03431	1.5
70.83556	0.6
70.83916	0.3
71.04996	0.3
73.02930	1.6
75.71245	0.2
81.03410	0.8
83.37063	0.2
85.02911	8.9
91.03424	0.3
91.03966	3.6
97.02903	3.7
99.04475	0.4
109.02867	0.6
111.00787	1.2
115.03918	0.5
121.02859	0.7
127.03933	2.1
137.02342	3.2
145.04976	2.7
146.51532	0.3
149.02385	0.3
153.01833	3.2
153.80894	0.2
163.03914	0.6
163.06047	1.6
165.01839	1.7
166.02602	0.4
173.06047	0.3
183.02863	0.7
187.35422	0.2
195.02826	0.3
201.05457	1.8
209.26933	0.2
219.06549	0.4
229.04991	4.1
244.96257	0.3
247.06053	0.5
257.04535	2.4
274.04761	0.6
285.03830	1.3
303.05017	100.0
304.05389	0.8
315.05032	0.5
337.27551	0.3
341.06808	0.3
345.06140	1.2
369.06030	0.7
429.08179	0.3
465.10104	0.9
630.32129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.0
52.08531	1.3
53.03931	3.3
55.01863	6.4
55.02088	1.2
55.05516	27.2
57.03442	8.4
57.07077	3.8
57.26590	1.6
59.04994	1.6
62.83199	1.5
65.03933	2.7
67.05511	56.4
69.03448	2.6
69.07077	20.6
70.06568	1.5
71.04997	5.7
71.08636	2.9
79.05499	41.1
81.03418	7.0
81.07067	52.8
83.04989	5.0
83.08633	12.7
85.06544	6.0
91.05489	40.5
93.06484	2.6
93.07049	40.5
95.04996	7.7
95.08616	44.0
97.06525	5.5
97.10156	8.4
99.08111	4.3
103.05452	2.3
105.07040	34.8
107.04947	4.7
107.08598	24.8
107.80027	1.7
109.06526	6.8
109.10175	21.1
111.08089	2.8
115.05462	4.4
117.07018	20.2
119.08594	29.4
121.06488	3.2
121.10159	17.6
123.08063	4.3
123.11731	4.9
123.36880	1.3
125.09602	5.8
128.06223	6.1
129.07018	20.0
130.07753	2.0
131.08589	29.6
133.06476	2.1
133.10161	19.7
135.08047	5.0
135.11687	9.0
137.09666	2.3
141.07033	7.6
142.07794	6.1
143.08571	21.6
144.09282	1.4
145.10133	23.6
147.08093	3.9
147.11678	11.2
149.09605	3.7
149.13251	5.7
151.11137	2.1
153.07036	2.4
154.07773	3.5
155.08572	22.2
156.09329	1.7
157.08958	2.1
157.10149	24.9
159.08147	1.5
159.11682	15.6
161.09628	2.9
161.13284	6.4
163.11134	2.9
163.14719	1.6
165.07033	3.0
167.08603	7.1
168.09372	2.9
169.10144	20.2
171.08055	1.7
171.11685	20.0
173.09612	1.8
173.13268	9.1
175.11246	2.2
175.14844	2.5
177.12697	1.5
179.08542	5.9
180.09378	3.4
181.10133	15.2
182.10927	3.8
183.11685	22.1
185.13303	11.8
187.14842	6.3
189.12807	1.7
193.10204	6.9
194.10817	1.9
195.11739	12.8
197.13261	14.5
199.11174	2.7
199.14828	7.4
201.16396	2.0
205.10194	2.5
205.15845	1.9
207.11713	5.4
209.13318	12.8
211.14752	7.1
213.16385	4.8
221.13231	7.2
223.14845	9.4
225.16338	4.8
227.18030	3.6
233.13289	3.9
235.14851	4.8
237.16341	7.9
239.17950	3.6
241.19614	1.7
243.21405	2.1
245.06062	2.1
247.14713	2.2
249.16501	2.2
251.18005	3.8
253.15813	1.8
257.19055	4.2
259.20587	4.3
261.22040	2.1
263.17874	2.2
273.18671	2.6
275.20239	7.4
283.20633	2.2
285.22021	1.8
301.21613	1.9
303.19406	1.4
311.23660	1.9
321.22244	1.5
323.23517	2.7
333.24536	1.9
337.25015	1.9
341.24713	1.8
349.24423	2.7
351.26648	2.5
363.27029	2.2
367.26205	2.3
381.27789	1.8
420.18387	1.8
434.96277	1.6
435.20282	2.2
447.32657	2.1
449.34229	1.8
451.23877	2.0
453.33893	1.7
459.32068	1.8
461.22687	3.5
461.34161	3.6
478.23230	1.6
513.35840	9.8
515.38861	9.1
520.25018	1.9
527.37439	15.5
533.40186	9.2
535.25885	2.9
537.27631	3.4
537.35535	2.5
539.37134	6.2
541.39075	4.0
549.27734	1.8
551.40564	6.2
553.39233	10.4
565.27344	11.1
567.40027	4.9
589.42554	4.0
607.27875	4.7
607.43622	54.4
608.28467	6.4
625.28876	70.3
625.44379	100.0
626.45526	5.9
630.43127	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03933	4.5
55.01875	10.8
55.05514	15.9
55.07015	1.2
55.25843	1.3
57.03426	4.5
57.07056	4.3
59.04995	2.1
60.43841	1.2
65.03931	2.4
67.05511	41.5
69.03419	3.6
69.07072	33.4
69.28498	3.4
69.28910	6.5
71.04975	2.7
71.08632	3.0
71.20070	1.4
79.05083	2.7
79.05499	33.5
81.03402	2.8
81.07061	35.8
83.04967	4.2
83.08624	8.4
84.74580	1.5
85.06532	2.1
85.10188	1.9
91.05494	32.7
93.06487	1.8
93.07058	29.3
95.01335	2.1
95.04991	7.8
95.08079	1.8
95.08622	25.4
97.02901	2.5
97.06541	13.0
97.10161	5.0
105.07038	31.0
107.04956	7.7
107.08604	14.1
109.06519	3.1
109.10164	11.1
111.08068	1.5
117.07030	13.0
119.04862	1.3
119.08595	22.2
120.59461	1.2
121.06509	2.0
121.10161	12.0
123.08043	3.7
123.11687	1.7
125.09628	3.9
128.06213	2.0
129.07039	8.8
129.07878	1.8
131.08574	20.8
133.06487	1.8
133.10130	17.5
135.08044	3.6
135.11691	9.9
141.06972	3.4
143.08607	8.5
145.10118	15.8
147.08006	2.0
147.11713	11.8
149.09593	3.3
149.13264	6.1
151.11211	1.4
155.08533	5.1
156.94569	1.3
157.10130	8.0
159.11726	11.8
161.09669	2.0
161.13268	10.0
163.11159	1.9
165.09222	1.4
167.08595	2.3
169.10126	4.3
171.11740	7.8
173.13313	7.9
175.14807	2.8
177.12708	2.8
179.14268	2.4
181.10077	3.0
183.11700	5.2
185.13252	5.5
187.11414	1.5
187.14803	2.5
189.11211	1.6
193.10077	1.5
193.66994	1.2
195.11717	4.3
195.13594	1.5
197.13278	4.2
199.14832	4.5
209.13231	3.8
211.14851	2.6
215.17937	2.2
223.13229	3.5
225.16408	1.5
229.14360	1.7
231.20816	1.7
239.17996	1.6
241.14288	1.7
241.19595	6.6
249.14929	1.6
257.18982	3.7
259.20541	10.0
261.22107	2.3
273.18521	7.2
275.20129	16.4
291.19568	29.1
315.23077	4.0
333.24344	7.5
335.25607	1.8
347.22079	1.7
349.23746	10.3
390.09048	1.5
406.21234	2.0
407.21225	1.5
423.23856	1.5
431.21481	2.6
435.32373	3.0
437.33939	8.1
444.22971	1.7
448.17935	2.3
449.18866	4.5
450.23334	1.9
451.23962	2.5
461.22705	2.1
463.20346	6.5
476.21652	2.5
477.22037	4.2
478.22650	11.9
479.23087	2.5
485.23825	2.1
486.23062	1.6
487.24026	4.5
489.25797	1.9
505.24768	4.0
511.37634	3.8
513.35431	2.1
515.38965	1.7
517.25116	2.4
523.26038	3.2
533.24469	8.9
533.39697	4.3
547.26160	7.9
551.25275	6.0
551.41003	2.1
561.24213	2.8
565.26904	4.0
593.26587	13.3
607.27899	2.3
607.43573	28.2
625.28882	100.0
625.44324	64.1
626.29382	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92942	2.8
53.03942	3.6
55.05513	11.1
67.05510	17.8
69.03431	4.7
69.07059	13.9
69.20606	2.7
69.89664	8.9
69.90089	5.8
71.04984	3.4
79.05492	8.2
81.03416	5.2
81.07068	36.8
83.08627	5.6
85.02909	10.1
91.05480	8.1
93.07067	19.6
95.04976	5.7
95.08620	45.0
97.02891	6.0
97.06566	5.0
97.10182	8.1
99.04499	3.5
105.07035	9.4
107.08616	19.7
107.43562	2.7
109.10169	32.3
111.08083	3.4
119.05040	3.2
119.08597	10.0
121.02925	4.3
121.10150	14.3
123.11731	19.3
125.09550	3.1
131.08580	5.6
133.10155	6.5
135.11703	8.6
137.13280	3.9
139.11203	6.5
143.08647	4.3
145.10159	3.4
147.11699	4.5
149.13289	11.7
151.14816	4.3
153.12801	3.7
161.13374	3.8
163.14851	5.1
173.13257	2.6
175.14845	3.0
177.05542	8.7
177.16458	5.6
181.05028	11.2
237.02554	2.9
257.04559	4.3
259.24115	5.0
269.12527	5.5
271.24319	7.9
277.25412	8.9
287.05478	3.7
289.25223	25.8
301.07138	6.4
325.15134	8.1
331.08200	4.8
347.04166	11.3
363.29095	4.1
377.23035	3.7
381.30142	24.7
416.14725	8.1
449.00705	5.0
467.02069	9.7
475.16812	3.5
539.06934	9.5
553.33185	4.3
564.06830	9.8
567.05408	8.6
581.06598	4.5
592.06030	12.4
595.04926	4.0
609.06250	18.5
610.07214	10.8
625.09467	100.0
625.25708	28.8
626.09631	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	625.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66832	0.2
55.05524	0.2
55.38889	0.2
56.18741	0.2
63.17221	0.2
67.05496	0.4
68.60313	0.2
69.07072	0.3
69.20400	1.9
79.05502	0.4
81.07069	0.4
83.10994	0.2
86.10303	0.2
87.04468	0.2
93.07058	0.3
93.09728	0.2
98.21457	0.4
105.07030	0.3
109.27434	0.2
111.03439	0.2
133.78833	0.2
138.33855	0.2
165.21620	0.2
259.17197	0.2
318.92477	0.3
375.16061	0.3
389.17734	0.5
390.18362	0.4
391.19223	0.7
392.20163	0.6
393.21072	0.3
403.19580	0.4
404.20535	0.5
405.16357	0.4
405.21402	1.4
406.21613	0.8
407.22549	0.8
418.17477	1.4
419.18628	1.3
419.22687	1.0
420.23474	3.2
421.23907	0.7
423.21701	0.5
431.18250	0.5
432.18878	1.4
433.19974	5.0
434.20871	1.6
435.21994	0.8
436.22726	0.3
437.23526	0.9
445.20352	0.4
446.21039	1.5
447.21823	4.2
448.22821	2.1
449.19495	2.3
450.16113	0.4
450.21082	0.4
451.25339	2.3
452.25723	0.7
459.22040	0.2
460.22980	0.3
461.24011	0.4
463.20825	2.9
464.22079	2.6
465.22781	3.6
477.22693	2.4
478.23651	7.3
479.24661	8.6
491.24814	2.9
492.25317	0.7
493.26282	0.5
495.23990	0.4
505.26773	1.4
506.26657	0.4
507.23560	0.3
509.25497	0.3
510.26190	0.6
519.24243	0.5
521.25946	0.3
523.22791	2.2
533.25220	0.7
534.25885	1.1
535.26630	0.9
536.20929	0.4
537.24335	1.7
544.80835	0.2
550.25507	0.4
551.26599	0.5
564.24799	0.2
565.28314	26.7
566.28900	0.6
593.27557	1.0
594.28320	0.5
595.28601	0.3
596.26453	0.5
597.30499	0.6
607.26654	0.3
625.30225	100.0
626.30499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87741	0.6
53.10293	0.5
55.05517	2.1
57.03427	0.7
63.09666	0.5
65.83800	0.5
67.05521	3.3
68.65543	0.6
69.07087	1.3
71.08646	0.8
71.52663	0.7
74.09884	0.5
79.01351	0.5
79.05498	3.2
81.03427	1.0
81.07066	3.6
83.08611	1.0
89.07286	0.6
91.05480	3.0
93.07065	2.7
95.04998	0.6
95.08636	2.2
97.06544	1.1
105.07053	2.2
107.08624	1.6
109.06493	0.9
109.10147	1.3
117.07037	1.2
119.08604	1.6
121.10147	0.8
129.06979	0.6
131.08606	1.4
133.10211	0.9
135.11667	0.7
143.08656	1.5
145.10207	1.9
147.11710	1.0
149.09641	0.9
149.13362	0.7
157.10190	0.9
159.11690	1.3
161.13298	0.6
163.11203	0.6
173.15410	0.6
179.14394	0.9
184.07446	0.7
241.19711	0.8
252.67006	0.7
264.03082	0.6
273.18448	0.9
275.20145	1.0
377.17505	0.9
391.19305	1.9
392.20404	0.9
405.16846	1.3
405.21466	1.0
407.22516	1.9
417.16858	0.8
419.22958	1.3
421.16534	1.1
423.18478	0.9
433.20401	4.3
434.21472	1.0
435.22488	1.0
436.19009	0.8
436.89502	0.7
437.19949	1.7
449.15811	4.8
450.20963	0.9
451.21451	6.5
463.17365	6.0
464.18552	2.2
465.18829	2.9
477.18701	3.6
478.19824	6.7
479.20743	9.5
491.20850	3.9
492.21869	1.7
505.22971	1.1
521.25665	1.8
523.19745	1.4
524.24872	0.7
533.22241	1.0
537.24622	2.1
551.23492	0.8
565.24561	30.6
566.24951	0.9
607.43085	2.1
625.26660	100.0
625.43976	4.5
626.26917	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.07097	1.8
59.05000	0.9
62.90307	0.3
67.05508	1.1
67.13171	0.3
69.07075	0.5
70.06597	0.4
71.05460	0.4
71.08630	2.0
71.52411	0.3
79.05503	1.2
81.03439	0.3
81.07066	1.4
83.04964	0.3
85.10182	1.7
87.04469	0.8
89.06039	3.1
91.05486	1.0
93.07056	1.1
95.04974	0.7
95.08620	1.0
95.88628	0.3
105.07050	1.0
107.08583	0.8
109.06521	0.6
109.10197	0.4
117.07050	0.4
119.08631	0.6
121.10152	0.4
131.08603	0.5
133.08626	1.5
133.10168	0.5
135.08020	0.4
135.69264	0.3
157.10062	0.4
177.11241	0.7
212.61615	0.3
273.18481	0.5
291.19626	1.0
335.25934	0.5
377.17758	0.9
378.18378	0.4
379.19510	0.8
389.17545	0.4
391.19199	1.4
392.20218	1.1
393.20773	1.6
405.16321	1.9
405.21042	1.1
406.17899	1.1
407.18448	0.5
407.22574	4.8
408.23001	0.4
417.20923	0.5
418.17734	0.5
419.18115	3.5
419.23306	0.9
420.19089	1.8
421.20209	2.4
423.21747	0.7
431.18323	0.8
433.20041	4.2
434.21185	3.5
435.21967	6.0
436.22903	0.4
445.20380	1.3
446.21185	0.7
447.22009	1.7
449.19586	3.1
451.25043	1.4
452.26038	0.4
460.22635	0.8
461.23975	1.6
463.21094	2.7
464.21606	1.5
465.22937	2.2
466.97952	0.3
477.23071	2.0
478.23712	4.6
479.24753	4.4
491.24576	1.4
492.25308	0.6
493.25751	0.4
505.26416	0.6
507.23901	0.9
510.26804	0.5
521.25616	9.5
523.22931	1.5
527.37500	1.3
537.25830	0.5
547.27026	1.1
549.24933	0.5
565.28162	22.2
581.27814	2.2
593.27533	0.4
596.26178	0.4
597.31500	0.4
607.29163	1.3
607.43781	0.6
625.30267	100.0
626.30530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91032	0.4
55.01883	0.4
57.03450	3.2
57.40941	0.4
59.05029	0.5
64.36739	0.5
67.58972	0.4
69.03438	12.2
69.83611	0.7
69.84016	2.1
74.02442	0.6
81.03426	0.7
85.02911	9.3
87.04478	9.2
91.05505	0.7
97.02895	9.8
99.04459	0.6
106.30562	0.4
109.02911	1.2
115.03943	14.3
115.05395	0.7
117.05812	1.2
117.07027	1.2
118.06555	17.7
127.03928	100.0
130.06544	1.3
132.08110	4.9
133.04974	17.3
142.06528	1.4
143.07329	2.0
144.08093	12.5
145.04993	1.8
146.06023	58.2
159.09190	5.2
160.07591	0.7
163.06056	0.4
164.16034	0.4
170.05986	3.8
188.07082	97.3
189.07448	0.6
201.00546	0.4
205.09746	43.3
241.07181	0.8
259.08182	0.9
277.09012	0.5
286.04755	2.0
295.10333	0.5
301.07065	6.3
310.71658	0.4
311.67941	0.4
463.12183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05516	1.0
56.51948	0.4
57.03443	0.5
59.18219	0.4
67.05501	2.6
69.07066	1.2
71.01494	1.1
71.04994	0.4
71.08625	0.7
79.05491	2.4
80.47688	0.5
81.03428	0.5
81.07063	2.5
83.04982	0.4
83.08627	0.5
85.06573	0.6
91.05503	2.2
91.05972	0.4
92.53665	0.4
93.07053	2.5
95.08600	1.6
99.08151	0.5
105.07030	2.0
107.08602	1.2
109.06525	0.9
109.10156	0.7
117.07002	0.7
119.08600	1.1
121.10131	0.8
131.08611	1.4
133.10149	1.2
135.11748	0.6
143.08638	0.8
145.10149	0.6
147.11752	0.9
149.13246	0.5
159.11815	0.5
172.02046	0.5
173.13364	0.7
179.14354	1.4
209.10623	0.5
223.12296	0.7
223.89482	0.5
247.12476	0.5
275.20078	0.6
277.21664	1.4
291.19473	1.0
314.61789	0.4
327.17120	0.5
375.16171	0.5
376.17114	0.6
377.17838	0.9
378.18924	0.9
388.18173	0.5
389.17899	0.7
390.18555	0.9
391.19232	2.9
392.19855	2.2
393.21014	0.7
396.67877	0.5
403.19446	0.8
404.20340	1.4
405.20825	9.2
406.21567	2.2
407.22308	5.8
418.21838	0.6
419.22516	3.0
420.23138	3.6
421.17303	0.9
421.23886	7.3
422.17377	0.7
422.24506	0.6
424.23138	0.5
432.23645	0.6
433.23941	1.9
434.24841	2.0
435.17825	1.0
435.25638	0.6
436.19031	1.4
437.19852	1.2
445.20114	0.7
447.21899	1.2
449.19156	2.0
449.27118	0.8
450.20587	1.5
451.21320	19.4
452.22192	4.0
460.23007	0.8
461.23361	1.5
463.21405	1.7
464.22043	2.1
465.22900	15.8
466.23804	3.2
473.19577	0.8
476.22388	0.5
477.27319	1.0
478.23727	1.3
479.24371	2.4
487.21362	1.5
488.22217	0.9
489.22855	0.5
491.21127	1.6
492.20874	2.0
493.26071	13.3
494.26566	1.4
501.22803	1.0
503.24622	6.8
504.24667	0.7
505.22424	1.3
509.21820	4.2
519.23755	0.7
521.25629	7.8
523.23340	9.1
526.26031	0.7
537.25079	7.5
538.25806	16.6
547.23492	2.7
565.24524	9.2
566.25269	2.5
581.27643	5.7
607.25488	5.6
607.43427	0.8
625.26617	100.0
625.44135	4.1
626.27020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1767
Annotation	Rhamnazin 3-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03434	0.4
69.03436	1.5
70.79534	0.7
80.30617	0.2
80.44505	0.2
81.07059	0.3
85.02922	1.0
87.04463	1.0
97.02897	1.1
115.03960	1.3
125.75578	0.2
131.04919	0.3
133.05002	1.2
145.02808	0.4
145.04965	0.5
148.05202	0.2
151.03934	0.5
163.82689	0.3
166.99812	0.3
168.00543	0.6
169.01424	0.5
177.05516	0.7
185.00865	0.5
194.02045	0.6
242.05739	0.3
245.04498	2.6
255.02858	0.3
256.03772	1.3
257.04489	0.4
259.05930	0.4
269.04422	0.8
270.05237	1.0
271.06104	1.0
273.03973	4.4
284.03189	2.6
285.03961	0.9
285.07202	0.3
286.04706	0.9
287.05542	1.2
297.04086	0.4
298.04764	1.9
299.05493	2.1
301.03531	7.3
301.07086	1.0
315.05008	2.5
315.59995	0.3
316.05804	28.5
317.06311	0.7
331.08148	100.0
332.08453	1.2
493.13556	1.4
589.66614	0.2
641.82452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1769
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
53.03952	0.4
55.01883	0.4
57.03441	1.3
61.02931	1.4
69.03437	5.7
70.06570	0.2
70.70078	0.1
71.01387	0.3
71.05005	0.6
71.09608	0.3
73.02922	1.1
81.03420	2.1
83.01360	0.3
84.08118	0.2
85.02912	15.2
87.04474	0.8
90.15504	0.1
91.03962	0.4
91.05467	0.2
97.02908	3.6
99.04453	0.9
101.02373	0.3
103.03960	0.6
109.02885	2.0
110.07172	0.4
115.03932	0.2
118.04250	0.3
121.06547	0.2
127.03931	3.3
135.76797	0.2
140.01076	0.1
145.04973	0.9
168.00546	1.9
169.01280	0.2
184.05321	0.2
186.01625	0.6
186.03125	0.2
212.04884	0.2
229.05034	0.2
240.04201	0.3
241.05006	0.4
255.06555	0.4
257.04553	0.2
258.05209	1.2
258.07361	0.1
268.03717	0.3
269.04453	0.3
269.58310	0.2
271.06100	0.7
273.07727	0.2
275.66745	0.2
283.06006	0.2
285.03967	3.3
286.04739	39.2
287.05164	0.3
299.05508	2.3
301.07077	100.0
302.07480	0.9
310.04694	0.8
325.07071	0.6
343.04340	0.1
343.08145	3.1
352.05551	0.2
355.07983	0.2
367.08081	0.5
463.12369	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58081	0.2
53.03944	0.8
55.01876	0.4
57.03442	3.9
61.02927	0.7
62.14986	0.2
63.29712	0.1
66.56027	0.2
68.99792	1.6
69.03435	2.9
69.99031	0.6
71.04977	0.3
73.02913	0.8
75.04489	2.4
81.03427	4.4
83.04993	0.3
85.02912	3.2
87.00842	6.5
87.04499	0.3
89.06039	0.2
93.05510	0.2
95.01331	0.6
97.02894	2.2
98.20788	0.2
99.04465	1.2
101.02384	0.2
103.03939	0.3
105.01868	1.3
109.02885	5.1
113.02392	0.3
115.55059	0.2
117.05517	0.3
127.03926	100.0
128.04276	0.6
129.01845	0.8
141.01843	1.0
143.03401	6.0
145.04959	0.4
147.04425	0.4
151.03935	0.2
159.02921	0.6
161.04475	3.3
171.02849	0.2
183.06567	0.4
189.03923	1.2
203.05534	2.5
203.16489	0.2
213.04005	0.4
215.05515	0.2
225.07661	0.3
231.05002	0.2
241.07025	0.2
251.05557	0.6
267.94553	0.2
269.06622	1.0
283.17593	0.2
286.04797	2.2
287.07660	3.0
301.04468	0.1
301.07092	5.5
305.08685	11.4
319.06549	1.1
343.08170	0.3
350.18851	0.2
394.96097	0.2
449.12903	0.3
463.12097	0.7
481.12146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05502	0.2
57.03456	0.2
62.87908	0.2
65.03952	0.2
65.79287	0.2
67.05500	0.3
68.99795	0.6
69.03423	0.9
69.46769	1.3
72.54874	0.2
73.91450	0.2
79.05486	0.7
81.03422	3.2
81.07057	0.5
83.08569	0.2
84.71287	0.2
85.02898	1.1
89.03918	4.0
91.05495	1.5
93.07027	0.6
95.04986	0.5
95.08594	0.6
96.67486	0.2
97.02893	0.6
99.04458	0.5
100.02998	0.2
105.07023	0.4
107.04967	1.2
107.08583	0.3
109.02906	1.0
111.82683	0.2
117.03387	6.2
118.04199	0.6
119.04940	2.1
121.02859	0.7
121.10133	0.4
123.11756	0.3
127.03920	0.7
133.10144	0.2
134.03629	0.4
135.04425	10.0
137.02357	0.3
137.06038	0.2
140.01120	0.6
145.02856	9.7
145.04010	0.5
145.10216	0.2
147.04419	10.5
147.11786	0.3
148.05200	0.3
149.05992	0.4
153.01845	0.9
156.05679	0.3
156.09172	0.2
161.05963	0.3
163.03914	70.1
164.04268	0.3
165.05482	0.6
165.18423	0.2
167.07040	0.2
168.00543	4.9
169.01324	0.8
177.03877	0.3
177.05473	6.2
181.04965	3.1
184.05231	0.4
186.01608	2.1
186.05505	0.4
189.70345	0.2
191.14316	0.2
212.04707	0.5
213.05486	0.7
229.05051	0.5
240.04208	0.8
241.04926	0.7
255.06517	0.5
256.49289	0.2
257.04431	0.5
258.05276	2.3
268.03674	0.5
269.04425	2.4
283.05927	0.2
285.03998	5.9
285.07462	0.8
286.04733	62.8
287.05484	11.5
291.08640	0.6
301.07077	100.0
302.04269	5.5
302.07388	0.8
307.08142	4.1
317.06567	10.7
325.09167	1.4
385.12976	0.3
398.13669	0.3
416.14594	1.7
463.12488	0.6
605.30432	0.3
654.07245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1562
Annotation	Isorhamnetin 3-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
50.36234	0.3
51.02398	0.4
53.03949	0.8
55.05516	0.6
57.03440	0.5
60.58541	0.3
61.02909	0.3
63.02377	0.4
65.03935	0.9
65.26389	0.3
66.29702	0.4
67.05499	1.5
68.87448	0.3
68.99798	0.8
69.03433	1.8
69.07069	1.2
69.87565	1.3
69.87973	0.6
70.06605	0.8
71.04987	0.7
79.05526	1.7
81.03434	4.0
81.07048	2.5
83.04998	0.6
83.08628	0.5
85.02913	3.3
85.06547	0.5
86.09717	0.4
87.00851	0.4
89.03922	5.3
91.05488	5.8
91.99361	0.3
93.07050	2.2
95.04978	1.4
95.08607	2.4
97.02904	1.4
97.06538	1.1
97.10175	0.9
103.05493	0.3
105.07024	1.4
107.04985	3.0
107.08607	1.0
109.02895	2.3
109.06565	0.6
109.10170	1.5
111.04463	0.8
111.08077	0.6
117.03393	10.1
117.07030	0.5
118.04192	1.0
119.04955	9.8
119.08606	1.0
121.02888	1.1
121.06543	0.5
121.10126	1.1
123.04483	0.5
123.08120	0.5
123.11712	1.1
127.00268	0.5
127.03941	1.8
127.07552	0.3
133.10159	0.9
134.03647	1.4
135.04428	9.9
135.11723	0.9
137.02371	0.5
137.06020	0.9
140.01111	0.6
144.05702	0.4
145.02867	17.4
145.06479	0.6
147.04425	50.7
147.11699	1.1
149.06023	2.0
149.13283	0.8
151.03949	0.4
151.07585	0.7
153.01839	2.1
159.11684	0.5
161.05962	0.8
163.03922	71.8
165.01888	0.5
165.05508	3.2
165.12775	0.6
167.07083	1.8
168.00565	8.4
169.01303	1.2
175.04062	0.6
175.07584	0.4
177.05486	18.3
181.04988	9.5
183.02982	0.9
184.05171	0.5
186.01616	4.2
190.06314	0.4
207.06474	0.4
212.04652	0.6
213.05507	0.7
220.07520	0.5
229.05194	0.7
235.09715	0.6
240.04218	0.7
241.05028	1.3
245.04512	1.1
246.05330	0.7
251.09340	0.4
255.06554	0.8
257.04440	0.7
258.05219	2.6
268.03671	0.7
269.04446	2.7
271.05908	0.7
272.05988	0.4
274.04611	0.5
285.04010	8.3
285.07547	2.8
286.04755	67.8
286.07520	2.7
287.05521	36.8
287.08002	1.9
291.08670	3.0
301.07086	100.0
302.04257	24.1
302.07248	1.2
305.24805	1.2
307.08127	4.1
309.09778	0.8
315.46490	0.4
317.06589	47.9
321.09686	0.6
323.25854	0.8
325.09232	1.4
330.49518	0.4
331.08057	1.3
339.10837	0.8
385.12744	1.2
398.13705	0.4
415.14011	0.4
416.14642	6.7
463.12579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.03939	0.4
53.81475	0.4
55.05514	1.0
55.69091	0.4
67.05507	1.8
71.52564	0.6
79.05506	1.3
81.03428	1.7
81.06359	0.4
81.07070	1.5
83.04955	0.4
83.08639	0.5
91.05494	1.6
93.07080	1.0
95.04972	0.6
95.08630	1.3
95.34406	0.3
105.07069	1.5
106.06560	0.3
107.08631	0.7
109.10141	0.4
115.05457	0.4
117.07011	0.5
119.08610	1.0
121.10129	0.5
125.09631	0.5
129.07062	0.5
131.08586	0.4
133.10155	0.4
135.11723	0.3
161.06058	0.6
168.82413	0.4
182.09804	0.4
195.09305	0.7
197.10854	0.5
209.10826	1.1
210.11520	1.1
211.12375	0.9
221.10809	0.6
223.12318	1.9
224.13161	2.6
225.10463	0.6
225.14040	0.4
236.09679	0.4
237.10306	0.9
237.13928	1.4
239.15587	0.7
241.89182	0.4
247.12358	0.4
249.10443	0.4
250.11275	0.5
265.09818	0.4
265.13553	1.1
299.15292	0.4
311.14008	1.0
335.25760	0.5
375.16428	0.3
377.17896	0.6
389.17923	0.9
391.19418	0.7
397.77222	0.4
401.17853	0.8
402.18777	0.9
403.19376	1.2
404.20251	0.6
405.21011	1.4
406.21878	0.5
407.22699	0.6
413.17667	0.6
415.19308	1.4
416.20013	1.2
417.16589	0.7
417.20944	1.3
418.22092	0.6
419.18076	0.9
419.22485	1.6
429.21280	0.5
430.22366	0.8
431.17926	2.9
432.19696	1.2
433.20230	2.1
435.21719	0.6
442.17249	0.6
443.18735	1.3
444.19604	1.5
445.20132	5.1
446.21240	2.4
447.22614	2.3
449.23520	1.6
457.20499	0.6
458.20813	0.7
459.22433	2.0
461.19119	1.9
462.20755	0.9
463.21442	1.6
475.21014	1.7
476.22086	5.2
477.22937	6.4
489.23050	1.5
490.23633	0.6
499.21561	1.0
503.24481	1.4
517.22229	0.7
519.23883	0.5
520.25116	0.6
521.24677	0.7
529.22040	0.4
531.24078	0.6
533.25958	4.5
535.26776	1.2
545.25232	2.4
548.24683	1.0
563.26569	30.5
564.26849	0.8
577.25403	0.4
591.25598	1.7
593.27747	0.6
595.29175	1.2
605.23859	4.4
623.28717	100.0
624.28992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	4.3
55.01868	5.3
55.05514	19.6
57.03443	9.6
59.05010	3.0
61.02929	22.6
67.05514	38.7
69.03432	9.6
69.07079	16.4
71.05003	5.6
71.52464	2.6
72.21342	2.3
73.02924	5.4
79.05500	36.8
79.31041	2.3
80.31590	2.5
81.03416	10.5
81.07062	34.5
82.63942	2.0
83.04987	6.3
83.08608	12.0
85.02905	19.9
91.03967	7.9
91.05496	38.9
93.07054	32.5
95.04977	7.4
95.08615	25.0
97.02907	17.2
97.06551	7.0
97.10181	4.3
99.04467	5.1
105.07040	33.7
107.04949	6.9
107.08593	15.0
109.02900	4.2
109.06555	6.2
109.10143	14.9
111.04465	2.5
111.08105	4.9
115.05445	4.9
117.07036	26.0
118.96879	3.0
119.08575	19.8
121.06512	6.1
121.10158	9.7
123.08117	3.4
123.11766	4.3
123.13029	2.3
127.03938	8.4
127.21154	2.4
128.06239	6.2
129.07013	24.8
131.08583	41.9
133.06480	6.1
133.10124	13.3
135.08090	5.6
135.11690	4.8
139.11266	3.5
141.06978	13.2
142.07666	3.8
143.08583	27.4
145.06522	8.6
145.10158	22.0
147.08037	4.6
147.11752	6.4
149.09604	6.3
153.06963	3.1
155.08582	21.5
156.09375	3.3
157.10114	11.9
159.08081	6.9
159.11723	10.2
161.09563	3.8
163.11275	4.9
165.06969	3.2
167.08603	8.7
169.10159	10.3
171.07942	4.4
171.11685	8.9
173.09680	4.4
173.13196	5.4
175.11182	3.5
177.12738	2.5
179.08507	4.0
181.10133	11.6
183.11719	9.5
185.13283	9.1
187.11201	4.2
187.14853	2.7
189.12746	2.8
193.10141	4.9
195.11722	12.4
197.13300	5.6
199.14903	4.2
203.14258	3.4
207.11655	3.9
209.13332	6.2
211.11241	3.3
211.14909	3.2
213.09061	2.6
213.12807	5.8
215.14369	6.0
221.13289	7.7
223.14932	6.2
228.77484	2.6
229.14304	2.8
235.14803	3.8
237.16330	2.7
239.14319	3.0
259.16910	3.4
271.16830	6.4
275.68903	2.6
333.22183	13.7
341.24380	5.0
344.06198	2.8
351.23175	39.1
369.24283	26.4
387.25327	18.2
425.26831	9.5
433.29370	4.0
443.27985	100.0
461.29037	77.5
469.36008	2.5
470.84003	2.8
569.30969	3.0
623.32672	7.7
623.40039	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	0.2
67.49071	0.2
70.97724	0.4
84.02956	0.1
86.22940	0.2
91.05481	0.4
92.86918	0.2
93.07057	0.2
94.06527	0.2
106.06553	0.2
119.96236	0.2
120.08126	0.3
183.09230	0.3
204.06668	0.3
204.97325	0.2
209.10791	0.5
210.11578	0.3
211.12358	0.4
221.10762	0.2
223.08696	0.4
223.12363	0.5
224.13107	0.3
225.10318	0.3
225.13873	0.3
233.10915	0.2
235.08777	0.2
235.12340	0.3
237.10316	0.3
237.13924	0.2
249.10353	0.2
251.08385	0.2
251.11734	0.3
253.13414	0.3
263.11856	0.2
265.13440	0.2
275.20386	0.2
277.09799	0.2
286.13553	0.3
298.13290	0.2
300.14886	0.2
309.12537	0.2
310.13541	0.2
311.14063	0.5
312.14917	0.2
313.15961	0.2
314.12933	0.3
314.16553	0.2
326.13052	0.2
328.14438	0.3
337.11725	0.2
340.14578	0.4
352.14691	0.3
354.16251	0.2
375.16092	0.4
376.16959	0.4
377.17822	0.8
378.18643	0.2
388.16785	0.3
389.17740	0.8
390.18683	0.5
391.19562	1.4
392.20123	0.5
393.20779	0.6
396.17337	0.2
398.18924	0.2
401.17822	0.5
402.18277	0.6
403.14807	0.3
403.19669	1.2
404.16003	0.5
404.20236	0.6
405.16977	0.8
405.21530	1.8
406.22061	1.2
407.22574	1.1
414.14340	0.2
415.19833	0.4
416.20364	0.4
417.17133	1.4
417.21103	1.1
418.17053	1.0
418.22388	0.4
419.17685	2.7
419.22775	1.7
420.19223	0.6
420.23621	0.4
421.24216	2.1
427.17093	0.2
428.20355	0.3
429.16690	1.0
430.17709	0.4
431.17844	1.8
431.23004	0.9
432.19089	1.6
433.19916	3.5
433.25369	0.3
434.20996	1.3
435.21564	1.1
443.18878	0.7
444.19220	0.9
445.20197	3.1
446.21777	1.3
447.17157	0.7
447.22626	3.5
448.23102	1.6
449.23492	4.8
450.24173	0.4
457.20215	0.4
458.21088	0.9
459.21936	3.8
460.23376	0.8
461.19839	2.4
461.24420	0.7
462.19662	1.0
463.21152	1.9
465.23126	0.3
473.24023	0.4
475.20483	1.6
475.26434	0.2
476.22064	5.1
477.22980	5.0
478.23312	0.3
485.23410	0.3
489.23209	1.9
490.23679	0.7
491.24887	0.4
493.22617	0.6
503.25165	1.4
504.25357	0.3
505.22540	0.7
507.28110	0.3
508.24734	0.3
519.23962	1.4
520.24927	0.4
521.21338	1.1
531.24152	0.6
533.25781	3.4
534.23022	0.2
535.27649	3.4
545.25507	2.1
546.26013	0.2
547.27167	1.1
548.24133	0.5
563.26563	19.1
564.26971	0.4
576.24316	0.3
577.28217	0.2
591.26117	1.1
593.27435	0.6
594.25769	0.2
595.28925	0.9
605.27740	3.0
606.28363	5.1
623.28674	100.0
624.29224	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11108	0.1
56.41930	0.1
66.96899	0.1
67.05502	0.6
70.06206	0.2
70.06541	0.6
79.05495	0.3
81.07066	0.4
83.08633	0.2
84.71067	0.1
91.05494	0.4
93.07052	0.5
95.08591	0.2
98.20936	0.3
100.68732	0.2
105.07025	0.5
107.08640	0.3
119.08573	0.3
133.10185	0.3
143.08597	0.2
155.08638	0.2
179.14349	0.2
211.12378	0.2
221.10789	0.3
223.12302	0.2
235.12386	0.3
237.16371	0.2
291.19653	0.2
314.85953	0.2
373.14697	0.2
375.16364	0.3
387.16739	0.3
388.17236	0.4
389.17697	1.2
390.18481	0.3
391.19403	0.4
401.17670	0.7
402.18677	0.8
403.14682	0.3
403.19608	1.5
404.19992	1.0
405.21024	1.1
406.21780	0.2
415.19571	1.3
416.15659	0.3
416.20718	0.9
417.17044	1.9
417.21036	1.9
418.17752	0.6
418.21851	0.5
419.22644	4.3
420.23056	0.5
421.20419	0.3
428.16238	0.4
429.17236	0.7
429.21759	0.4
430.17926	0.8
431.18707	3.1
431.22900	1.9
432.18961	1.6
433.20261	2.2
433.24481	0.2
435.21945	0.4
442.17715	0.4
443.18472	3.3
444.19376	1.4
445.20151	7.8
446.20963	4.0
447.22266	4.8
448.18655	0.3
449.23721	1.2
450.24487	0.2
457.20285	1.0
458.21091	0.9
459.21915	3.2
460.22748	0.6
461.19012	1.1
462.20551	1.5
463.21265	2.1
465.23633	0.2
471.22501	0.2
473.23962	1.0
474.24823	0.2
475.21011	1.7
476.22037	5.0
477.22937	5.7
478.23380	0.3
489.23291	1.8
490.23685	0.6
491.20615	0.6
491.25580	0.3
503.24377	0.7
505.22391	0.8
505.26297	0.8
517.22247	0.4
518.23187	0.3
519.24237	0.4
520.24133	0.2
521.21460	1.2
531.23444	0.3
532.25690	0.3
533.25531	13.9
535.24469	0.6
535.26160	0.6
545.25842	1.0
548.24316	0.3
549.25519	0.3
561.24689	0.5
563.26587	17.4
564.26837	0.4
565.28101	0.4
590.25446	0.3
591.25763	0.7
592.26672	0.4
593.27710	4.6
594.24969	0.4
595.28802	0.3
605.27740	1.3
623.28674	100.0
624.28741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.2
61.06335	0.2
67.05502	0.3
68.87614	0.3
69.07099	0.2
70.17427	0.6
70.17811	0.4
71.08629	0.2
76.98377	0.2
81.07058	0.6
91.05515	0.2
93.07040	0.4
95.08583	0.4
96.16019	0.2
105.07078	0.2
119.08642	0.4
131.08644	0.3
152.88670	0.2
206.72447	0.3
209.52295	0.3
225.63879	0.2
338.12872	0.3
372.15247	0.4
374.15176	0.5
375.16083	0.6
388.17300	0.5
389.17657	3.4
390.18585	1.1
391.19305	2.8
401.17966	0.6
402.18527	0.7
403.19421	3.1
404.20166	1.5
405.20810	8.4
406.21591	1.1
415.19635	0.5
416.20203	0.8
417.16620	6.8
418.17270	2.5
419.18344	3.2
419.23807	0.3
430.17917	0.4
431.18289	6.1
432.19427	7.6
432.24759	0.5
433.20193	9.4
434.20911	1.0
435.22345	0.4
443.18744	0.7
444.19846	0.5
445.15643	0.2
445.20520	2.8
446.21066	0.9
449.23843	1.3
450.24356	0.3
457.20123	0.4
458.21112	0.4
459.22284	1.6
460.22928	0.2
461.19302	2.0
462.20374	1.3
463.21429	2.4
464.22260	0.5
473.19742	0.3
475.21121	1.7
476.22031	4.6
477.23624	4.2
478.23715	0.7
487.21198	0.4
489.23383	1.3
490.23737	0.5
491.24927	1.5
503.24326	0.8
505.22137	0.5
508.25043	0.3
519.23993	24.4
520.24628	0.5
521.22198	0.9
535.27271	0.6
545.25708	0.5
547.23273	0.9
551.26678	0.3
563.26593	15.4
564.26666	0.5
579.26080	5.7
591.26416	0.6
595.29834	0.3
605.27423	0.4
623.28693	100.0
624.28864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.6
55.57104	0.5
59.04995	0.7
64.14660	0.7
67.05515	1.1
71.08639	0.7
71.52168	0.5
77.53944	0.6
81.07069	1.0
91.05515	1.2
93.07060	1.2
95.08638	0.6
105.07061	0.8
147.11610	0.6
162.95450	0.5
214.12070	0.5
289.18109	0.8
391.19189	2.1
392.20135	0.9
403.19498	0.6
405.20828	3.0
406.21680	1.8
407.22513	1.5
418.18054	1.5
419.17984	3.8
419.23560	0.9
420.23218	2.3
421.24054	2.4
432.19702	2.3
433.20050	8.3
434.21063	2.5
435.21893	0.8
445.20651	1.0
446.21133	0.7
447.22189	4.4
448.22745	4.3
449.23254	2.9
450.24493	0.6
460.22946	0.7
461.19858	1.8
462.20377	0.6
463.21408	1.8
464.22287	0.7
475.21255	1.0
476.21912	4.7
477.22958	6.2
479.24371	0.6
489.22794	2.1
491.24567	0.8
503.24252	1.2
507.28104	0.6
520.24573	0.8
521.21851	1.6
534.26630	2.7
535.27509	4.6
563.26508	24.2
565.24451	1.0
591.26575	1.0
594.28247	1.3
595.28821	1.1
605.27643	1.3
623.28650	100.0
624.29047	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69536	0.2
52.14552	0.2
68.61668	0.2
69.16248	2.2
71.08585	0.3
79.05413	0.2
96.57301	0.2
147.72385	0.2
221.10652	0.3
224.12918	0.3
239.15448	0.3
274.27023	0.3
319.08105	0.2
333.25571	0.2
376.17691	0.3
388.17798	0.3
389.18631	0.4
391.19043	0.6
398.15881	0.2
401.17664	0.4
402.19180	0.4
403.19534	0.6
404.20306	0.8
405.20688	0.5
406.21667	0.3
413.18066	0.5
414.18497	1.0
415.19403	2.1
416.20215	0.6
417.21301	0.5
418.17673	0.3
419.18134	0.7
419.22305	0.8
421.20230	0.5
427.19186	0.8
428.20175	1.1
429.20877	5.7
430.22211	1.2
431.18018	1.2
431.23462	0.4
432.19427	0.6
433.25061	1.3
434.21213	0.6
435.21552	0.5
441.16357	0.3
442.21481	0.7
443.22583	3.6
444.23718	2.7
445.19604	0.9
445.24118	1.3
446.17175	0.3
447.22760	1.7
449.23093	0.8
455.18787	0.4
456.19504	0.8
457.20071	1.5
457.24570	1.2
458.25085	2.7
459.21606	4.4
460.22778	2.3
461.19260	1.3
461.23685	1.7
462.20349	2.1
463.21014	0.3
470.21182	0.8
471.21912	1.3
472.22620	4.0
473.23737	2.7
474.20044	0.5
475.20938	1.4
476.21942	1.4
477.22897	2.9
485.23450	5.2
486.24380	1.7
487.25293	4.1
488.22076	0.7
489.22931	1.2
490.23303	0.2
503.24542	2.4
504.24734	0.5
505.22205	0.3
513.22784	0.5
517.26135	4.3
518.23071	0.4
519.24341	1.1
520.24677	1.0
521.22253	1.0
530.23285	0.4
531.24011	4.9
532.24603	0.5
535.25677	0.7
545.25525	48.3
546.26282	1.3
548.24164	0.6
563.26465	10.6
577.27985	1.0
591.26459	0.6
605.27649	3.7
623.28650	100.0
624.29016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64884	0.3
58.20438	0.4
62.06874	0.4
69.56019	1.2
69.56427	0.7
85.10218	0.3
94.51601	0.3
117.44859	0.3
227.91193	0.3
243.41156	0.3
315.95953	0.4
326.16525	0.3
376.17038	0.7
377.17758	0.3
387.16742	0.5
388.18298	0.4
389.18677	0.6
390.18704	0.6
391.19260	0.9
400.16711	0.5
402.18896	0.5
403.19675	0.9
404.20935	1.1
405.20816	3.5
406.21326	0.4
413.18182	0.5
414.18677	0.6
415.19226	2.5
417.20782	0.9
418.22018	0.6
419.18228	0.9
419.22610	1.2
420.23059	1.5
421.24036	1.7
427.19516	0.6
428.20419	0.4
429.20963	3.3
430.21820	1.4
431.18143	0.5
431.23099	0.6
432.23563	0.5
433.19791	3.2
433.25555	0.5
434.20517	0.5
435.21487	0.4
441.21011	0.7
443.22498	1.5
444.23157	1.4
445.20380	1.4
446.21432	0.4
447.17755	5.1
448.22784	1.3
449.23441	1.2
452.22351	0.5
455.19144	0.5
456.19733	0.5
457.24478	2.1
458.25281	0.6
459.21677	3.8
460.22949	2.6
461.19461	10.2
463.21307	0.9
465.23001	0.4
472.22614	1.4
475.20639	1.9
476.22134	15.1
476.28989	0.8
477.22940	1.5
477.27759	0.5
479.20959	0.6
485.23532	9.4
486.19934	2.7
487.24945	1.6
488.22137	1.4
489.23730	1.6
492.25388	0.6
497.23203	0.8
499.20978	0.5
500.22247	1.3
503.24472	6.9
513.23047	1.2
515.24469	6.9
517.26282	0.7
518.23547	0.7
519.23816	0.9
521.25677	6.8
531.23962	15.3
535.23358	0.6
541.22479	0.8
545.25421	6.8
549.25049	11.4
559.23444	5.4
563.26575	4.8
564.27191	0.4
573.25134	0.5
591.26123	26.1
592.26465	0.7
605.27997	0.9
623.28711	100.0
624.28955	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35579	0.3
69.22283	0.4
81.91901	0.3
100.30935	0.3
101.39635	0.4
140.00255	0.3
140.64590	0.3
140.65775	0.5
194.45149	0.4
307.11920	0.4
375.17212	0.4
389.18521	0.7
390.18951	0.6
391.19168	1.3
392.19836	0.6
400.17340	0.5
401.17865	0.9
402.19064	0.6
403.19760	1.1
404.20886	1.3
405.20834	3.9
406.21628	0.8
413.17911	0.4
414.18436	0.7
415.19305	2.9
417.21112	1.5
419.17834	0.5
419.22397	1.5
420.23163	1.8
421.24088	2.1
427.19412	1.0
428.20172	0.8
429.20984	3.4
429.26080	0.5
430.21692	2.1
431.18091	0.7
431.23083	0.6
432.23679	0.5
433.20303	2.6
433.24640	1.4
434.24878	0.5
442.21606	1.0
443.22382	1.2
444.23489	2.6
445.19952	2.3
446.21243	1.3
447.17419	2.8
448.23050	0.6
452.22086	1.1
456.19479	0.6
457.24448	3.2
458.25198	0.8
459.21674	3.8
459.31281	0.4
460.22778	4.0
461.19458	11.8
466.10043	0.4
470.21243	0.4
471.17767	0.4
472.22577	1.6
473.19812	1.4
475.20398	2.7
476.22046	11.4
477.27689	1.9
485.23560	13.2
486.20258	4.0
487.21298	1.8
487.25949	0.7
488.22266	2.1
489.23148	2.7
492.26016	0.5
493.21558	0.5
497.23508	1.2
499.21793	0.6
500.22162	1.8
502.23260	0.5
503.24487	10.0
504.22791	0.5
505.22656	1.4
513.23291	1.5
515.24493	10.4
519.23810	0.6
521.25519	10.1
531.24023	20.5
532.24658	0.6
535.23590	1.1
541.22992	0.8
545.25360	2.6
549.25012	16.9
559.23511	9.1
563.26770	2.5
564.27155	0.4
589.13556	0.4
591.26086	37.1
592.26483	0.5
623.28680	100.0
624.29065	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37717	0.3
71.38055	0.3
72.90433	0.3
83.90460	0.2
111.74245	0.2
175.40782	0.3
196.46236	0.2
221.10847	0.2
237.10359	0.2
237.13757	0.3
389.17868	1.0
390.18295	0.3
391.19138	1.5
392.20078	0.3
393.20856	0.3
401.17929	0.5
402.18832	0.5
403.19391	1.7
404.20020	0.6
405.16116	0.4
405.21002	1.7
407.22345	1.0
415.19437	1.2
416.20316	0.5
417.17001	1.0
417.21948	1.3
418.17218	0.5
418.22229	0.5
419.17752	0.5
419.22858	3.0
420.23120	0.8
421.24100	0.5
429.20847	1.0
430.17166	1.3
431.17902	2.4
432.18600	0.4
432.23514	0.8
433.20169	4.6
434.21075	0.6
435.21820	0.8
443.17795	1.8
444.19003	1.7
445.19888	4.5
446.21170	2.5
447.22110	3.0
448.22528	0.9
448.84436	0.3
449.23404	0.6
457.20169	0.6
458.20920	5.1
459.21655	4.6
460.23047	3.1
461.19473	0.6
462.20734	0.7
463.21414	2.0
471.22208	0.3
472.22687	0.5
473.23563	0.9
475.21347	1.0
476.22012	0.9
477.22821	1.5
485.23648	0.5
487.25476	0.3
489.18698	0.5
490.23566	0.3
491.24435	0.3
503.24417	0.4
504.25461	0.3
505.22363	0.8
517.22656	0.5
518.23059	3.9
519.24042	0.5
521.21625	1.1
530.22925	0.7
531.24194	0.6
532.24921	0.4
533.25568	6.8
533.31842	0.2
535.27734	1.3
545.25580	3.4
546.26178	0.7
563.26428	5.4
573.25159	0.8
577.28040	0.7
590.25214	0.4
591.25940	0.4
595.28711	0.3
605.27588	9.9
606.27936	0.4
623.28625	100.0
624.28992	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42750	0.6
69.56623	3.5
75.41913	0.5
80.06664	0.6
102.15607	0.5
122.81593	0.5
154.19707	0.6
170.12971	0.6
198.72749	0.5
220.00520	0.6
235.12192	0.7
237.13777	1.2
282.21796	0.5
284.55273	0.6
346.98111	0.7
377.17715	1.0
378.18457	0.9
380.44360	0.7
388.18344	1.0
389.18460	0.9
390.18539	1.0
391.19223	3.2
392.19907	3.1
393.20682	1.6
399.16077	1.0
400.17032	1.3
400.44778	0.7
401.17609	1.7
402.19257	0.8
403.19360	1.7
404.20419	1.2
405.20987	4.3
406.21716	3.3
407.22366	13.0
413.17746	2.3
414.18619	2.8
415.19348	4.9
416.20013	1.1
417.21228	1.2
419.22266	1.8
420.23056	2.1
421.23926	11.0
422.24481	2.3
427.19223	2.1
428.20175	2.7
429.15945	0.7
429.20956	10.1
430.21725	2.6
431.18329	0.9
432.19281	0.8
433.15427	0.7
433.20013	1.0
433.24725	1.3
441.21313	1.1
442.21423	1.8
443.22501	8.2
444.23608	3.4
445.20398	2.0
447.17676	1.2
453.20609	0.6
456.19287	1.5
457.24670	4.6
458.24860	7.0
459.21817	7.6
460.22620	2.2
461.18878	4.7
462.20380	2.3
463.21637	0.9
470.21347	1.6
472.22705	6.6
473.18793	0.9
473.23520	1.9
474.20151	1.2
475.21179	6.2
476.21848	4.4
477.22552	2.7
484.18332	0.9
485.23651	14.8
486.20578	3.4
486.25183	1.2
487.20889	1.0
488.22235	1.6
489.22675	3.6
490.24188	0.8
493.26492	0.9
499.21249	3.8
500.22095	1.6
501.22681	0.8
502.23392	1.0
503.24368	7.5
504.25095	0.6
507.24216	0.9
508.28372	1.2
513.22888	3.4
514.23810	2.2
515.24390	1.2
517.26385	8.2
521.25122	0.8
529.25671	1.8
531.24091	1.2
535.27362	5.3
545.25549	76.0
546.25854	1.8
563.26471	0.8
564.27393	1.4
573.16028	0.9
573.25043	18.7
574.24750	0.8
591.26398	1.0
605.27643	79.3
606.27673	1.9
623.28699	100.0
624.28992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47031	0.2
61.28578	0.2
62.00225	0.2
63.51885	0.2
64.78709	0.3
71.17323	0.5
96.96464	0.3
107.44419	0.3
170.11365	0.3
211.12285	0.4
223.12263	0.5
237.13983	0.7
262.26172	0.3
269.87506	0.3
283.22665	0.3
320.57181	0.3
362.16345	0.3
377.17755	0.7
378.18546	0.4
386.15317	0.3
388.17636	0.3
389.18384	0.7
390.18787	0.6
391.19125	2.2
392.20193	1.6
393.20938	1.2
399.16431	0.5
400.16629	0.5
401.18216	0.7
403.19690	0.9
404.20639	0.7
405.16647	0.3
405.20953	2.6
406.21527	3.1
407.22372	7.1
413.17520	0.7
414.18390	0.6
415.19467	1.8
416.20239	0.4
418.22116	0.3
419.18201	0.6
419.23022	0.6
420.22949	1.6
421.23984	6.3
422.24707	1.8
427.19348	1.0
428.20322	0.8
429.20929	3.7
430.21857	0.8
431.22952	0.6
432.19409	0.4
433.15634	0.4
433.24008	1.2
434.25238	0.3
442.21964	0.7
443.22577	2.1
444.23969	1.3
445.20584	1.2
447.17865	0.9
447.22723	0.5
448.18680	0.4
456.19992	0.4
457.19342	0.4
457.24197	0.9
458.24796	1.2
459.21887	2.4
460.22620	1.1
461.19046	2.8
462.20633	1.5
463.21533	0.7
470.20953	0.5
472.23331	1.3
473.24039	0.6
474.20462	0.8
475.21219	4.7
476.21582	3.0
477.22559	2.3
478.23746	0.4
484.18466	0.3
485.23801	3.6
486.20612	1.6
487.21417	1.2
488.21921	1.2
489.23041	2.6
493.25949	0.5
497.23544	0.3
499.21378	4.3
500.22366	0.8
501.23431	0.4
502.23807	0.6
503.24637	6.1
504.24774	0.5
505.22693	0.5
507.23642	0.6
508.28424	0.6
513.23114	0.9
514.23566	0.4
515.24744	0.6
516.24048	0.4
517.25775	1.6
518.23712	0.4
521.25946	0.6
529.25909	0.8
532.24005	0.4
535.27216	5.0
536.27594	0.4
545.25580	18.7
546.25946	0.6
559.23187	0.3
562.25635	0.3
563.26697	0.8
564.27380	1.5
573.25067	5.1
577.27893	1.3
591.26160	2.3
605.27625	13.6
606.27838	0.3
623.28699	100.0
624.29132	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
67.05500	1.5
69.53218	0.9
69.53622	2.9
73.38784	0.6
79.05486	1.8
81.07045	1.4
90.83709	0.6
91.05479	1.6
93.07067	1.2
95.08592	1.4
95.79868	0.7
98.21514	0.8
105.07032	0.8
109.06504	0.6
117.07030	0.9
119.08590	0.9
131.08633	0.7
131.58231	0.5
133.10193	0.7
146.08159	0.6
147.11670	0.8
153.04428	0.6
155.08591	0.7
157.10156	0.9
167.15782	0.6
173.16187	0.6
185.29747	0.5
187.36398	0.5
191.23698	0.5
197.13272	0.5
203.21257	0.5
251.35406	0.6
257.18930	0.5
275.20062	0.8
374.15948	1.1
377.17551	1.7
378.18353	0.8
387.16077	0.8
388.17413	1.0
389.17923	1.1
390.18704	0.8
391.19275	2.2
392.19998	1.2
393.20978	1.5
399.16528	0.8
400.16663	0.8
401.17651	2.0
402.18509	0.8
405.16638	1.1
405.21335	1.2
407.22290	3.2
413.17566	1.2
414.18646	1.4
415.19467	2.7
416.20532	0.7
417.16907	1.4
419.18506	1.9
419.23270	0.7
421.20425	0.9
428.19989	1.7
429.20932	2.0
431.18747	1.7
433.16000	1.2
433.20966	1.3
435.21609	2.0
443.18317	1.1
444.19556	1.7
445.20276	1.9
446.21118	1.3
447.17358	3.5
448.19186	1.7
449.19714	0.7
456.19540	0.7
457.20419	1.6
458.21103	1.1
459.17401	0.9
459.22638	0.8
459.74310	0.6
461.19397	3.3
462.20383	1.8
463.21371	1.8
471.22784	3.3
472.18307	0.8
473.19727	2.0
474.20596	2.1
475.17331	1.0
475.21307	1.6
485.19562	1.6
486.20447	2.2
489.18283	1.8
489.22855	4.3
490.19559	4.7
491.20242	2.8
499.21457	9.9
500.18478	1.3
501.23798	3.1
503.20728	3.8
507.24026	1.8
511.21429	1.1
513.18982	3.3
516.21930	1.0
517.22406	13.4
517.29999	0.8
527.20734	1.6
529.22382	5.8
531.20300	2.7
535.23218	3.1
536.24243	1.0
545.21735	18.7
555.20197	0.8
563.25110	2.0
564.23694	1.6
573.21283	6.8
577.24988	2.7
591.22382	3.6
595.26044	1.1
605.23920	36.7
623.25000	100.0
623.42584	2.7
624.25360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05506	1.1
59.04986	0.5
59.30782	0.3
60.04521	0.4
62.20516	0.4
67.05498	1.4
69.03423	1.0
69.07060	1.6
69.79807	1.8
71.05019	0.4
79.05531	0.6
81.03403	1.2
81.07060	3.5
83.04980	0.5
83.08611	0.6
84.08148	0.5
85.02901	1.1
85.06570	0.4
89.06008	1.0
91.05500	1.1
93.07058	1.8
95.04996	0.5
95.08622	2.8
97.02891	1.5
97.06518	0.9
97.10182	1.1
98.20770	0.7
99.04462	0.6
99.95345	0.3
105.07027	1.5
107.04977	0.5
107.08604	1.8
109.02879	0.8
109.10165	1.7
111.08064	0.5
119.04944	0.8
119.08597	0.7
121.06542	0.5
121.10152	1.5
123.08056	0.4
123.11721	1.5
125.09650	0.5
127.03911	1.3
129.06955	0.4
133.10127	0.7
135.07962	0.4
135.11679	0.8
137.02321	1.0
139.11188	0.6
143.10806	0.4
145.02859	0.7
145.10165	0.4
147.04396	0.8
147.11707	0.6
149.09586	0.4
149.13272	1.4
157.10202	0.4
165.09177	0.4
169.01337	0.6
175.03952	1.0
175.14844	0.4
177.05443	1.2
177.16342	0.6
182.07347	0.4
188.04698	0.4
199.07532	1.3
203.40546	0.4
207.06604	1.7
227.07076	0.6
237.05469	0.4
255.06546	19.7
257.04312	0.4
269.04486	1.9
272.03189	3.0
283.05930	1.8
284.06931	0.8
285.04321	0.4
285.07614	0.8
286.04486	0.5
287.05579	5.4
297.00504	0.6
297.03943	11.8
299.05698	0.8
300.02728	1.2
301.07199	0.9
305.24817	0.7
311.05539	1.3
312.06293	3.6
315.05011	42.6
316.05679	0.4
323.25705	0.7
327.08804	0.4
329.10248	0.8
330.07349	9.6
345.09714	100.0
346.10132	0.9
367.28293	0.4
379.28564	0.9
397.29526	0.7
491.15503	0.5
602.66760	0.4
623.32092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2504
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
53.02137	0.5
53.03942	0.8
54.96783	0.4
55.01866	0.5
55.05516	2.4
57.03432	0.4
59.09695	0.4
67.05511	5.1
69.07063	2.1
71.52529	0.7
79.05509	4.1
81.03430	5.6
81.07070	3.7
83.08604	1.0
83.59523	0.5
91.05495	3.7
93.07053	3.4
95.01292	0.6
95.04958	1.3
95.08604	2.8
97.06510	0.7
97.10175	0.7
105.07047	2.9
107.04966	0.7
107.08566	1.8
109.02840	0.6
109.06504	0.7
109.10133	1.6
115.05442	1.3
117.06979	1.6
118.97892	0.6
119.08566	1.8
121.06495	0.5
121.10135	0.9
129.06973	1.6
131.04906	0.5
131.08571	1.5
133.06499	0.8
133.10127	1.1
134.11485	0.4
135.11708	0.5
143.08559	1.0
145.06477	1.0
145.07565	0.5
145.10130	1.3
147.11668	0.8
155.08531	0.7
157.10150	0.9
159.11716	0.8
160.05179	1.1
161.05908	1.4
161.09583	1.1
169.10123	0.8
171.11667	1.0
173.05966	1.0
183.11594	0.7
184.09789	0.5
197.13237	0.5
203.48589	0.5
207.09204	0.6
209.10667	0.7
222.11588	0.5
222.98692	0.5
223.12422	0.4
243.13834	0.5
259.20596	0.6
271.13248	1.3
273.14691	0.7
275.20084	0.8
291.19308	0.5
298.13196	0.6
333.24075	0.5
335.25787	0.9
339.95419	0.4
353.55487	0.5
362.15683	0.5
363.16028	1.3
365.17310	0.6
375.16013	0.8
376.17023	1.1
377.13397	0.6
377.17703	3.0
378.18448	1.2
379.18964	0.8
387.15973	0.5
389.17453	1.5
390.14197	0.5
390.18832	1.1
391.15201	1.8
391.19583	3.5
392.19739	1.3
393.20734	4.5
400.17072	0.5
401.17972	1.1
402.18301	1.2
403.18976	1.6
404.15955	1.3
404.20435	0.9
405.16617	4.5
405.21011	1.7
406.17755	1.6
407.18048	1.0
407.22357	1.3
413.17694	1.2
415.19638	2.1
416.20081	1.0
417.16397	0.6
417.20895	1.2
419.18805	4.8
420.19556	3.0
421.20087	6.2
428.19965	0.8
429.20926	1.3
430.21463	1.3
431.18054	0.7
431.22821	0.8
432.19302	1.2
433.16245	1.9
433.20746	1.5
434.16653	0.8
434.21524	0.6
435.17352	0.6
435.22235	0.8
443.22772	0.9
444.18958	0.7
445.19788	1.3
447.17438	3.9
448.18787	4.5
449.19519	6.5
451.20898	0.6
458.20831	1.3
461.20010	2.8
462.20346	1.8
463.21069	0.9
471.21436	1.4
473.18878	0.8
475.22116	3.2
476.17859	2.5
477.18979	3.5
477.23346	1.6
486.20309	1.3
487.24933	0.9
489.17950	3.2
489.23389	0.6
490.19473	2.1
491.20111	0.7
499.21613	3.9
501.22519	1.5
503.20493	3.2
506.26468	0.7
507.24094	5.9
513.19202	0.7
517.22223	3.1
519.19568	0.6
521.22156	0.5
525.35736	0.5
527.20618	1.1
529.22552	3.2
535.23358	13.9
545.21466	9.1
547.27228	3.5
549.25305	3.1
550.25946	3.7
563.22791	23.2
564.22931	0.6
573.21429	3.0
579.29266	1.6
591.26447	2.6
595.25104	1.5
605.23779	21.8
605.40161	0.9
605.97931	0.5
623.24957	100.0
623.41705	5.7
624.25415	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
56.53723	0.3
68.99813	0.3
69.03418	0.9
69.06133	0.4
71.04985	0.7
71.06334	0.7
79.38626	0.3
80.55666	0.3
81.03416	0.6
81.07056	0.7
83.56844	0.3
85.02914	1.5
87.00843	0.3
89.06052	0.6
91.78416	0.3
95.08574	0.5
97.02892	1.1
107.70082	0.4
109.02880	1.1
117.03346	0.5
119.04906	0.7
127.03938	0.8
134.03654	0.8
145.02852	0.5
147.04433	1.0
148.05203	0.4
166.02637	0.3
167.03484	0.9
169.01334	1.6
170.29164	0.3
173.76102	0.3
175.03961	0.5
177.05476	0.9
181.01343	0.4
184.03671	0.6
189.05467	1.1
197.00766	0.6
197.04385	0.6
207.06590	0.6
215.07166	0.4
218.05611	0.4
229.04967	0.6
243.06505	0.4
244.03540	0.4
244.07201	0.4
246.05153	0.4
255.06551	1.2
257.04504	0.6
268.03610	0.4
269.04517	1.3
270.05399	0.4
271.06055	0.9
272.03210	2.1
272.06299	0.5
274.04706	0.5
283.06018	2.5
284.03503	0.4
284.06882	0.9
285.03992	0.8
285.07535	1.0
286.04578	0.4
287.05545	4.0
289.06680	0.4
295.02377	0.6
296.06894	0.5
297.03952	8.8
298.04871	0.4
299.05545	3.1
300.03043	0.7
300.06256	3.9
302.04330	3.5
311.05493	0.8
312.02963	0.7
312.06351	2.5
313.03415	0.8
313.07104	1.3
314.07715	0.6
315.05005	32.2
315.08664	18.1
316.05511	0.5
317.06598	6.0
323.52206	0.4
327.05020	12.1
329.06635	0.8
330.03711	3.2
330.07391	7.1
331.08066	0.5
341.06741	0.5
342.07410	3.3
343.08237	0.5
345.06003	38.1
345.09766	66.7
346.06421	0.8
346.10248	0.8
360.08429	12.8
364.56219	0.4
375.10767	100.0
376.10980	1.7
637.91205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01955	0.5
69.33851	3.3
71.04979	0.5
81.03426	0.6
85.02902	0.9
87.00814	0.6
89.06017	0.6
93.41222	0.5
93.71510	0.5
97.02918	0.6
105.06991	0.5
127.03968	0.7
136.75540	0.5
145.02873	0.6
154.71690	0.5
169.01358	1.5
175.04001	0.6
177.05482	0.8
189.05467	1.0
196.00075	0.5
207.06529	1.3
267.02814	0.8
271.06125	0.8
272.03107	0.9
283.06128	1.1
287.05499	2.5
297.04031	4.6
299.05484	2.4
300.06274	1.4
302.04196	3.4
312.02783	0.7
312.06320	1.4
313.03458	1.0
313.07150	1.0
315.05014	15.8
315.08661	5.7
317.06586	6.1
327.04996	10.9
329.06491	0.6
330.03693	3.7
330.07431	4.0
341.06543	0.6
342.07269	2.7
345.06015	33.4
345.09793	33.7
345.29025	0.5
360.08423	12.5
375.10767	100.0
376.11206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04009	1.1
55.01696	0.2
55.01934	0.7
57.03505	1.1
58.99754	0.2
61.02988	0.7
68.99861	0.7
69.03503	6.2
69.07144	0.2
69.51948	0.2
71.05056	0.5
73.03000	1.0
73.08139	0.2
81.03421	5.4
81.07119	0.3
85.02444	0.5
85.02911	7.9
86.37661	0.2
87.00356	0.2
87.00921	2.9
91.04034	0.3
91.05551	0.3
93.07134	0.3
95.08666	0.3
97.02894	2.8
99.04466	1.8
103.04029	0.4
105.01876	1.6
105.03545	0.2
109.02879	3.9
117.01926	0.4
117.03437	0.3
120.26952	0.2
122.15026	0.2
127.03927	6.2
129.01949	0.7
133.02911	0.3
140.45033	0.2
141.41451	0.2
145.04970	1.5
147.02933	0.3
147.04492	0.2
147.11658	0.3
148.05304	0.4
149.04735	0.2
150.98912	0.2
159.02917	1.9
169.01442	0.6
171.03250	0.2
175.03970	0.3
183.02998	0.3
201.08871	0.2
211.02623	0.2
213.03999	0.3
218.05933	0.2
227.05556	0.3
231.05081	0.7
267.03043	0.3
271.06149	0.6
278.34894	0.2
281.04523	0.3
283.06104	0.3
284.03589	0.3
284.06998	0.3
285.03915	0.2
287.05679	0.3
295.02496	0.5
297.04150	0.2
299.02521	0.3
299.05411	1.2
300.06482	0.2
301.07236	0.3
302.04257	2.1
312.02762	0.5
312.06442	0.2
313.03702	0.4
313.07117	1.0
314.08066	0.4
315.05075	0.8
315.08713	1.0
317.06531	3.8
323.05392	0.7
325.03348	0.2
327.05029	7.9
328.05597	0.4
329.06586	0.7
330.03738	2.5
331.08109	0.3
341.06613	0.8
342.07355	2.3
343.04358	0.5
343.08243	1.1
345.06067	28.6
346.06674	0.3
359.07422	0.3
360.08386	8.6
363.05484	0.4
369.06232	0.5
373.09097	0.9
375.10742	100.0
376.11087	1.1
392.43863	0.2
399.10938	0.3
417.11838	0.7
501.14996	0.2
519.27435	0.2
537.06482	0.9
555.07294	0.4
562.70593	0.3
565.04858	0.2
593.05353	0.3
608.07324	0.6
623.10144	1.3
623.29291	0.4
641.10602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05518	0.9
58.35418	0.6
59.05009	5.0
67.05503	1.1
69.03433	2.1
69.07074	0.9
69.68102	3.5
70.06606	1.1
73.02906	1.5
73.06552	1.8
77.69072	0.6
79.05488	1.1
81.03429	1.2
81.07051	1.3
83.04977	0.9
85.02934	1.4
85.06562	0.8
87.04478	13.6
89.06039	100.0
91.05496	0.9
93.07030	1.5
95.04972	1.5
95.08606	1.8
97.02908	1.3
97.06530	1.5
99.04488	0.9
100.07605	1.6
103.05496	2.7
103.07600	2.6
105.07064	1.8
107.04969	0.8
107.07083	1.6
107.08606	0.9
109.02865	1.1
109.06528	1.0
111.04446	0.7
117.09158	1.5
119.08628	1.0
120.08993	0.7
121.10162	2.0
125.06062	0.8
127.03944	1.5
127.07585	0.6
130.08653	1.1
131.04935	6.0
131.07037	3.1
131.08603	0.8
133.08615	63.2
137.06012	0.7
145.02863	1.5
145.10130	1.3
146.08203	1.0
147.04419	0.8
147.10176	1.4
155.73306	0.6
156.06569	1.5
157.08717	0.6
159.11746	0.7
163.07556	3.2
165.05557	0.8
175.09738	3.1
176.15280	0.8
177.05473	3.3
177.11237	26.5
181.04968	0.6
191.12837	0.8
205.12286	1.2
207.06491	1.1
219.12373	0.7
221.13838	5.2
239.14935	1.1
251.12901	0.9
265.16510	2.0
283.17606	1.9
309.19058	1.8
327.08588	0.9
331.12778	0.7
353.10446	0.8
353.21762	1.1
363.11456	0.7
371.22672	1.0
430.68561	0.6
443.19229	0.7
459.28259	0.7
503.31049	1.4
547.33282	10.6
605.37543	3.7
622.40204	1.4
623.27069	1.5
646.44489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07037	0.4
67.05445	0.6
71.08594	0.5
73.33005	0.2
79.05457	0.2
81.03374	0.3
81.07016	0.5
83.08548	0.4
91.05449	0.4
93.06987	0.2
95.04919	0.3
95.08542	0.3
104.10616	0.2
119.08511	0.2
133.10103	0.2
141.56949	0.2
151.68979	0.2
193.12189	0.4
199.51413	0.2
209.10670	0.3
211.13235	0.4
223.18257	0.2
272.12076	0.2
301.02945	0.2
324.14694	0.3
348.14871	0.2
373.14743	0.4
375.16257	0.8
376.17740	0.4
380.45786	0.2
382.12961	0.2
387.16284	0.7
388.16858	0.8
389.17682	2.8
390.18433	1.0
391.19284	0.8
400.17099	0.3
401.18005	1.1
402.13956	0.3
402.18884	1.5
403.19415	3.8
404.20087	2.7
405.20895	1.6
413.17795	0.6
414.18927	0.4
415.19769	1.1
416.16055	0.7
416.20984	1.0
417.17023	2.2
417.20981	2.2
418.22183	1.2
419.22473	5.4
420.23087	0.8
427.19400	0.3
429.20755	0.8
430.17859	0.8
430.22229	0.6
431.17706	3.5
431.22891	1.8
432.19189	1.4
433.20294	0.9
441.21088	0.3
443.18762	0.6
444.19485	0.6
445.20721	4.8
446.21109	3.3
447.21918	6.5
448.22485	0.4
449.19650	0.3
457.20291	0.4
458.21411	0.2
459.18280	3.4
459.22986	0.9
460.17679	1.0
460.23718	0.4
461.19604	2.5
463.21600	0.3
473.18552	1.8
474.20425	8.6
475.21347	14.2
476.21637	0.6
477.22961	0.4
486.20273	0.5
487.21405	4.1
488.22314	1.3
490.23917	0.3
491.24619	0.6
492.25357	0.5
501.22992	3.3
502.23724	0.6
505.26526	1.5
506.22729	0.3
518.23059	0.6
519.19812	1.0
523.40027	1.6
529.22382	0.9
532.24799	0.5
533.25641	9.0
546.22809	0.6
547.23779	0.4
561.25031	35.6
562.25610	1.1
565.27966	0.4
589.24591	1.5
593.27844	1.0
621.27136	100.0
622.27631	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.75800	0.5
55.05524	0.6
57.07077	0.9
60.38501	0.6
62.53952	0.6
62.67009	0.5
71.52441	1.0
72.56555	0.6
74.65610	0.5
81.07068	0.9
82.05426	0.6
87.04480	3.0
88.04805	0.9
88.26627	0.6
93.07033	0.7
99.78728	0.7
105.07025	0.7
107.08592	0.6
110.34657	0.7
112.01167	0.7
124.45019	0.6
144.07988	0.6
208.07718	0.6
221.10947	0.7
233.10924	0.6
259.58362	0.7
286.13312	0.6
324.14661	0.6
387.16406	0.7
388.17014	1.5
389.17688	2.2
390.18579	1.4
391.19278	0.7
401.17874	1.3
403.14752	0.7
403.19421	5.6
404.20032	2.9
405.20966	2.1
416.15912	1.0
416.20804	0.9
417.17090	3.7
417.21082	3.1
418.21973	1.2
419.22510	7.1
430.17798	1.0
431.18289	6.2
431.23666	0.7
432.19672	1.9
433.20273	1.3
443.18832	1.5
444.19458	1.1
445.20154	7.6
446.20972	4.8
447.21802	9.0
447.26852	0.8
457.21005	0.8
458.21249	0.9
459.17401	1.5
459.22226	2.3
461.19867	0.8
473.19138	1.2
474.20474	10.4
475.21436	13.4
487.21188	4.0
488.22055	1.8
491.20840	1.0
501.22940	2.8
501.70901	0.7
503.20911	0.8
505.25961	0.8
518.23383	1.3
533.25629	11.9
546.23059	0.9
561.25043	66.3
562.25720	1.5
589.24292	1.3
593.27771	3.1
621.27148	100.0
622.27570	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.2
55.05508	13.3
57.03439	21.8
57.07081	23.6
65.03937	6.2
67.05179	4.3
67.05507	49.1
69.03471	4.6
69.07057	11.0
71.08641	16.7
79.05493	27.7
81.07056	32.0
83.08614	6.3
85.06550	8.9
85.10178	9.1
91.05480	24.6
93.07040	23.3
95.04971	54.0
95.08615	25.6
97.06544	3.0
97.10148	6.2
98.24229	2.9
99.70169	3.3
105.07031	18.8
107.04971	8.2
107.08601	15.1
108.56586	3.3
108.59478	3.2
109.06531	59.9
109.10154	9.5
113.05998	24.7
117.07038	9.0
119.08618	8.5
121.06441	3.8
121.10160	7.0
123.08090	4.9
129.07008	3.3
131.08594	16.2
133.06584	5.1
133.10139	6.4
135.08066	44.0
135.11719	3.2
137.05898	3.0
143.08604	5.4
145.10144	9.4
147.08051	4.8
147.11734	5.9
149.09644	6.1
157.10104	7.2
159.11731	7.0
161.09558	7.4
163.11212	3.1
171.11746	3.5
217.15941	12.5
273.18542	34.6
287.28009	2.9
291.19577	100.0
313.27383	50.0
347.22015	5.3
365.23322	10.8
431.18759	4.4
533.25317	5.5
561.24823	9.6
585.45416	7.2
603.46124	36.2
621.27307	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05521	3.4
57.03438	1.2
57.07068	2.0
65.03946	0.5
66.89628	0.5
67.05510	5.2
67.27081	0.6
69.07079	4.3
69.20416	5.8
70.57228	0.6
71.08638	0.9
79.05488	1.8
81.03431	0.7
81.07067	5.5
81.28999	0.6
83.04996	0.6
83.08619	2.3
83.94833	0.5
85.10200	0.8
87.04467	2.8
87.80167	0.6
91.05472	1.6
93.07072	3.1
95.08600	4.1
97.03358	0.6
97.10161	0.8
98.20719	1.3
98.98466	0.7
105.07033	1.5
107.08569	1.7
109.10184	2.1
111.04394	0.7
119.08596	1.3
121.10157	1.7
123.11649	1.0
132.17268	0.5
135.11676	1.0
146.08157	0.6
154.47676	0.5
155.82341	0.6
163.11185	1.2
188.52501	0.5
211.13376	0.7
227.12817	1.0
275.31580	0.6
283.15186	15.2
313.27264	0.8
337.27679	0.9
339.17914	2.1
356.64600	0.7
443.26520	0.7
521.38251	3.7
619.41870	100.0
620.42145	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.89592	0.2
69.72726	1.5
93.52740	0.3
98.21553	0.3
103.98645	0.3
172.04015	0.2
175.96799	0.3
263.11560	0.4
265.05930	0.3
299.13916	0.3
340.76651	0.3
352.14651	0.3
374.59943	0.2
375.16208	0.9
376.17197	0.5
387.16199	0.4
388.16977	0.9
389.17758	2.8
390.18451	1.1
391.19244	0.6
401.17990	0.6
402.14096	0.4
402.18726	0.8
403.19537	3.8
404.19998	1.6
405.20801	1.7
415.19376	0.8
416.16190	1.0
416.20541	0.8
417.17114	3.0
417.21124	2.3
418.17258	0.6
418.21841	0.7
419.22476	6.5
420.23340	0.5
429.16614	0.3
430.17947	0.9
430.22531	0.4
431.18250	6.3
431.23538	0.5
432.19223	1.9
433.20322	2.3
443.18765	0.4
444.19717	0.7
445.20062	4.3
446.20987	5.5
446.26578	0.4
447.21793	8.3
447.27789	0.5
448.22678	0.4
457.19882	0.4
459.22864	2.2
460.18204	0.6
460.23538	0.5
461.19733	1.3
473.19580	1.3
473.24219	0.7
474.20377	5.4
475.21326	7.3
477.23575	0.4
478.23816	0.3
487.21286	2.9
488.21921	0.4
491.20151	1.3
492.25293	0.3
501.22653	1.7
505.21619	0.6
505.26834	0.6
518.23383	0.6
519.22180	0.4
529.22223	0.5
533.25543	14.1
546.22504	0.4
561.25006	20.0
562.24976	0.4
589.24768	0.5
593.27643	3.2
621.27094	100.0
622.27393	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.38314	0.4
76.38271	0.3
209.10880	0.4
212.93085	0.3
314.59006	0.3
375.16217	0.8
387.16409	0.6
388.17059	0.9
389.17642	2.2
390.18600	0.6
391.19342	0.8
401.17966	0.7
402.14395	0.4
402.18756	0.8
403.14731	0.6
403.19623	2.7
404.20313	1.6
405.20779	2.1
415.19504	0.4
416.16241	0.8
416.20795	0.5
417.16333	3.7
417.21207	1.6
418.21860	0.9
419.22498	5.9
420.23166	0.6
430.18011	1.1
430.22842	0.3
431.18085	5.2
431.23587	0.7
432.19327	2.1
433.20209	1.8
443.18896	0.5
444.19595	0.6
445.20242	5.1
446.21115	5.2
447.21860	7.8
459.22931	2.4
460.18365	0.7
461.19769	1.2
463.21512	0.4
473.19193	0.9
473.24628	0.5
474.20413	4.3
475.21313	6.7
476.21390	0.3
487.21570	2.8
488.22302	0.7
491.20932	1.2
501.23230	1.6
503.20712	0.4
505.26938	0.5
506.23309	0.4
517.22552	0.4
518.23206	0.5
519.20160	0.5
529.22693	0.4
533.25568	13.0
534.25787	0.4
546.23175	0.4
561.25018	20.5
562.25531	0.6
589.24200	0.8
593.27771	3.7
621.27130	100.0
622.27386	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49537	0.2
62.71943	0.2
69.30627	1.4
69.31045	0.8
79.70710	0.3
82.43241	0.2
89.30727	0.3
106.06543	0.3
119.21169	0.3
196.10004	0.4
197.10605	0.5
207.09088	0.3
208.97392	0.3
211.48260	0.3
221.10724	0.5
223.12291	0.3
225.30858	0.3
235.12151	0.3
243.10268	0.3
310.13379	0.4
311.37674	0.3
326.12561	0.3
350.12860	0.3
371.14456	0.4
375.16000	0.8
376.17526	0.4
384.68237	0.4
386.16336	0.4
387.15924	0.9
388.16879	1.3
389.17795	3.0
390.18451	1.4
391.19110	1.0
401.17709	0.8
402.13998	0.6
402.18878	1.4
403.19473	6.0
404.20154	2.5
405.20837	2.0
413.17706	0.3
415.19373	0.9
416.16089	1.1
416.20129	0.9
417.17010	3.9
417.20987	3.3
418.17383	0.9
418.21475	1.3
419.16849	0.5
419.22400	8.8
428.17139	0.4
429.17081	1.1
430.17859	1.3
430.22519	0.5
431.17987	6.8
432.19098	2.8
433.20078	1.4
443.18622	1.1
444.19577	0.8
445.20248	7.7
446.21078	4.7
447.21857	9.8
458.21237	0.4
459.17615	1.5
459.22083	2.0
460.18661	1.0
461.19702	1.0
471.92960	0.3
473.18762	1.8
474.13449	0.4
474.14987	0.2
474.20416	10.6
475.21277	14.8
476.21713	0.5
477.22491	0.4
486.20547	0.4
487.21375	4.2
488.22076	1.4
490.23169	0.5
491.20370	0.4
501.23062	1.9
502.23752	0.5
505.26602	1.3
517.21704	0.3
518.23071	0.8
519.24274	0.3
529.22192	0.9
533.25574	10.9
543.24475	0.3
546.22797	0.9
561.25006	72.6
562.25323	2.1
589.24347	1.8
593.27740	3.0
621.27106	100.0
622.27472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	1.5
55.05518	5.1
57.03434	0.5
57.07067	0.5
67.05505	4.5
69.03419	2.0
69.07063	3.7
71.04985	0.8
71.52455	0.5
79.05492	4.3
81.03413	3.0
81.07057	6.1
82.06570	1.0
83.04973	1.9
83.08620	5.0
84.08171	0.7
85.02895	1.9
85.06520	1.0
87.00835	0.4
89.05999	0.6
91.05482	2.9
93.07051	2.9
93.68006	0.5
94.04209	0.5
95.04981	1.5
95.08624	4.0
97.02852	1.0
97.06525	2.0
97.10154	1.6
99.04455	1.0
100.07615	1.0
100.11264	10.2
105.07050	3.0
107.04945	0.7
107.08596	2.3
109.02853	1.2
109.06525	5.4
109.10178	2.9
111.04458	1.4
115.05424	0.5
116.05958	0.5
117.07038	1.1
119.08586	1.9
121.10160	1.7
123.11682	0.8
125.02264	0.5
125.09663	1.1
127.03912	1.9
127.08614	0.4
128.06163	0.7
128.07063	0.8
129.06973	0.8
131.08563	0.7
133.06506	0.5
133.10173	1.0
135.04408	0.7
135.08076	0.6
135.11687	2.1
137.05983	100.0
141.07018	0.7
143.08588	0.6
145.10139	0.9
147.04431	0.6
147.11736	2.6
149.09665	0.5
149.13223	1.0
153.05478	0.7
155.08514	0.7
157.10126	0.8
159.08124	0.7
159.11678	0.7
161.13298	0.8
163.11275	0.8
165.01805	2.3
171.11757	0.7
173.13275	0.6
175.03833	0.5
175.14719	0.7
177.05476	0.9
178.87509	0.4
179.03387	1.8
182.15393	3.8
183.02908	1.2
185.13086	0.5
187.07561	1.3
189.05534	1.5
191.03401	25.2
196.17020	0.5
199.07515	0.9
201.05495	1.9
209.16595	3.4
210.13011	0.4
210.14862	3.0
211.07550	0.5
213.09071	0.9
215.07166	0.8
226.19217	0.9
229.08556	0.7
231.13988	0.5
231.21162	1.2
238.50070	0.6
241.08577	1.1
245.04477	0.6
266.24792	6.5
269.08124	6.9
275.05423	2.5
283.27487	0.7
297.07574	64.9
301.03690	0.6
301.07022	0.9
301.14154	0.8
302.04279	2.4
303.08640	1.9
315.08624	58.2
316.09061	0.9
317.06580	6.3
348.28918	1.1
353.13858	5.0
357.16898	0.6
369.13422	0.5
371.14905	25.4
375.30206	2.1
376.28436	0.5
383.22403	0.6
392.32687	1.7
457.14856	1.8
464.36920	0.5
483.16635	0.5
492.41470	1.3
509.24387	0.5
515.32318	0.7
533.33105	1.9
575.33917	3.9
583.28510	0.7
601.30560	1.0
601.46741	3.8
619.20111	1.0
619.32709	10.3
619.47943	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16122	3.7
53.03941	10.7
55.01899	4.0
55.05521	41.8
57.07061	6.6
59.27049	3.5
65.03944	4.2
67.05515	37.0
69.03438	13.9
69.07056	17.4
69.43195	9.9
69.43596	23.7
71.04997	10.3
71.08619	4.4
79.05498	38.8
81.07059	49.3
83.04987	19.1
83.08625	62.6
85.06547	9.8
87.04501	4.8
91.05492	55.0
93.06564	5.9
93.07063	57.1
95.04977	33.5
95.08614	37.3
97.06548	28.9
97.10132	4.3
103.05496	6.8
104.10754	9.7
105.07046	100.0
105.07764	5.2
107.04989	4.8
107.08605	71.1
109.06526	15.8
109.10152	31.0
111.08070	10.2
113.09637	8.9
115.05492	9.7
116.06284	4.2
117.07021	28.2
119.08595	88.3
121.06490	10.8
121.10156	56.4
123.08071	22.3
123.11750	6.9
125.09644	24.7
127.70437	3.9
128.06204	18.1
129.07039	26.3
130.07799	11.6
131.08565	48.5
132.09331	5.5
133.10158	54.1
135.08047	13.1
135.11707	11.0
137.09630	6.4
139.11195	16.6
141.06995	8.9
142.07784	27.2
143.08572	49.8
144.09303	12.2
145.06442	7.3
145.10136	78.7
147.08061	16.3
147.11761	21.4
149.09598	11.7
151.07603	4.9
151.96959	3.7
155.08627	18.6
155.10674	18.2
156.09392	26.0
157.10123	66.5
158.10902	7.0
159.08098	17.8
159.11725	33.4
160.08850	11.7
161.09595	18.0
163.11179	11.2
165.06990	6.7
165.09114	4.0
167.08527	17.3
167.10732	27.1
168.09334	3.9
169.10118	32.8
170.10857	9.0
171.10281	7.4
171.11687	34.5
173.09697	10.3
173.13287	21.1
174.25427	3.9
175.11220	5.1
175.14867	6.7
179.08559	12.9
179.14372	4.8
180.09344	5.7
181.10173	18.8
181.12259	32.7
182.10898	16.2
183.11688	30.4
184.12544	4.6
185.09612	6.2
185.13289	21.2
186.14078	8.0
187.11154	7.3
187.14804	7.3
189.12808	5.1
191.14307	9.3
192.09514	6.1
193.10222	19.2
194.10918	11.3
195.11740	30.5
195.13342	5.4
196.12482	13.1
197.09703	5.1
197.13268	45.7
198.13950	4.5
199.11360	4.1
199.14810	13.3
203.14377	8.2
206.10902	5.8
207.11702	17.4
207.13673	4.9
208.12453	13.1
208.14449	5.2
209.13309	23.5
211.11183	4.5
211.14818	22.7
212.15614	5.2
213.12790	6.5
213.16344	10.9
215.14374	22.7
219.11674	8.1
220.12558	4.3
221.13309	13.1
221.15392	25.7
223.14761	19.9
225.14841	12.6
225.16698	4.7
227.14345	4.2
231.11722	8.2
233.13228	10.5
233.15384	45.2
234.16101	5.9
235.14864	15.2
237.16377	12.0
245.13272	5.4
246.16269	4.6
247.14853	9.2
247.17079	7.6
248.15533	4.4
249.16370	11.4
253.15857	5.5
255.17445	35.8
257.18979	4.5
261.16318	9.0
263.17950	10.6
265.19461	6.8
268.18060	4.3
268.31616	3.9
269.19083	4.3
270.19803	4.9
271.14703	4.9
271.20569	5.3
273.18600	8.0
275.17838	6.4
281.19046	6.8
283.20551	4.5
285.18576	5.9
286.19092	5.1
289.19360	8.4
295.20511	6.5
299.20105	9.0
337.25070	8.3
345.21994	4.6
349.25073	7.3
365.24799	10.4
367.26205	6.2
383.25967	19.3
414.29297	5.3
457.30920	6.5
618.42993	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01873	1.6
55.05484	0.6
57.03426	0.7
60.83603	0.5
61.02919	0.5
68.99789	1.0
69.03442	5.1
69.83884	2.5
71.04970	0.5
71.72607	0.5
73.02908	0.7
78.04724	2.5
79.05499	5.4
81.03436	4.0
81.07055	1.5
84.08144	0.5
85.02919	9.9
87.00841	3.0
91.05489	4.2
95.04981	1.5
96.05791	0.6
97.02882	3.0
99.04459	1.9
103.03931	0.7
103.05459	3.1
105.01861	1.7
105.07038	5.8
106.04152	0.8
107.04971	12.0
109.02888	4.3
109.06530	0.5
111.08067	0.5
112.79494	0.5
115.05468	4.2
117.01884	0.5
117.03400	0.7
117.07043	1.5
118.04160	1.2
119.04969	0.8
119.08583	2.2
121.06555	1.1
123.04441	5.4
124.05237	3.2
125.05959	0.7
127.03941	7.0
128.06233	2.3
129.07030	5.3
130.04208	0.7
131.04971	3.5
131.08601	1.0
132.05714	2.0
133.06499	5.2
133.10097	0.6
137.06006	1.7
141.07013	0.8
143.04922	0.8
144.05733	1.3
145.04955	1.5
145.06483	1.6
147.04416	1.0
147.08086	2.9
149.06001	0.8
151.03900	1.2
152.04663	2.4
153.05481	2.2
155.04930	1.3
156.05751	1.2
157.06506	0.7
159.02927	2.3
159.08083	5.1
160.05237	1.5
161.06003	8.0
167.07060	100.0
169.06554	0.8
171.08057	1.2
172.05229	1.7
175.07565	25.7
176.04726	1.5
177.05525	2.3
179.07059	0.9
181.05034	0.7
184.05173	1.0
187.07565	18.7
189.06960	1.0
189.09132	1.7
190.07802	1.4
191.07057	11.1
191.08615	1.2
192.07892	0.7
193.08621	1.2
199.07564	9.8
201.09106	0.6
202.07835	1.0
203.08592	3.1
205.06487	0.9
205.10088	0.6
206.07318	2.2
207.08022	1.2
209.08025	2.8
215.08569	2.3
217.06670	1.0
217.08685	1.6
218.07277	3.2
219.08125	2.4
220.08870	1.1
221.09688	3.8
223.07558	0.7
229.06651	0.9
231.05069	1.1
231.08113	1.6
232.08734	1.4
233.06131	0.6
233.09583	3.7
234.06781	2.8
235.07587	2.9
237.08963	0.6
243.08116	0.7
245.06088	1.1
246.06741	1.7
247.07573	1.5
248.08345	1.2
249.09093	5.8
250.09937	1.2
251.07002	1.7
257.05997	0.6
259.07541	1.3
260.08328	1.6
261.09189	6.1
262.06302	0.7
263.07040	2.8
265.08551	1.1
265.12201	0.6
266.09348	1.5
274.06216	1.2
275.07114	1.4
276.07898	1.1
277.08582	3.9
277.20468	0.5
278.09381	2.2
279.10263	1.2
281.11786	7.0
286.04712	4.7
288.07840	1.2
289.08621	6.9
290.09360	1.4
291.10175	1.4
293.11615	2.9
294.08890	1.3
295.09695	1.2
301.07053	8.3
303.10095	0.6
305.08151	0.7
306.08960	2.4
307.09668	2.0
309.11258	7.9
310.11966	1.3
311.09042	1.1
321.11246	8.7
322.12082	1.7
323.09256	0.8
325.14325	0.6
326.11719	2.5
338.11499	1.4
339.12186	0.7
341.13873	37.1
351.12103	0.6
353.13885	26.0
363.12210	0.9
364.90390	0.5
365.13870	1.4
371.14822	1.4
383.14902	1.2
390.18555	0.6
395.15421	0.5
431.15067	0.8
569.45514	0.6
599.18732	0.6
619.29779	0.7
647.80743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96471	1.8
53.03937	5.1
53.71207	2.2
55.01857	2.9
55.05513	24.3
55.90858	2.4
57.03450	3.3
57.07066	7.3
59.05009	3.3
63.51768	2.3
65.03941	3.2
67.05180	3.3
67.05510	38.8
69.03419	8.0
69.07073	29.8
71.01357	3.3
71.04993	3.5
71.25457	2.2
73.02914	4.8
79.05495	28.1
81.03412	7.5
81.06593	4.4
81.07061	74.5
83.04977	5.2
83.08630	14.3
85.02910	29.8
85.06547	7.0
86.97645	2.3
91.05489	31.5
93.06487	3.8
93.07052	70.1
95.01320	6.3
95.04948	7.9
95.08615	100.0
97.02882	8.0
97.06527	18.5
97.10155	8.9
99.00834	2.6
105.04514	2.4
105.07040	88.3
107.04967	2.8
107.07880	4.3
107.08601	79.5
109.02886	5.8
109.06506	8.0
109.10165	82.4
111.08086	16.5
113.02383	10.9
113.09611	2.6
116.06195	2.0
117.07009	11.2
119.08592	97.6
121.06532	2.4
121.10154	76.8
123.04475	2.3
123.08107	3.4
123.11720	29.3
125.09621	5.0
127.03919	13.0
127.07537	8.0
129.07016	4.5
131.03397	4.7
131.08580	29.5
133.10138	76.2
135.08058	3.8
135.11702	48.1
137.05966	5.2
137.09599	2.6
137.13242	9.4
137.73055	1.9
139.11215	4.9
141.01872	10.5
142.07806	5.1
143.08624	11.4
144.09319	4.2
145.04980	4.8
145.09065	3.9
145.10141	57.1
147.04448	3.4
147.11699	58.1
148.07549	2.1
149.09605	6.0
149.13269	30.8
151.11198	3.0
155.07091	2.8
157.10124	17.7
158.10916	4.3
159.02884	3.1
159.11707	53.4
160.12486	2.7
161.05954	2.4
161.09651	3.1
161.13271	57.4
163.14839	21.4
165.09140	2.3
165.12775	3.0
165.16362	3.0
167.06996	2.7
168.00531	18.8
169.10068	6.2
171.11688	14.8
173.13284	30.7
175.14832	41.9
177.05453	4.8
177.12773	3.3
177.16394	19.5
179.14270	10.8
183.02901	53.1
183.11713	3.6
183.13597	2.2
185.13261	9.4
186.01605	9.9
187.14842	30.9
189.12746	4.8
189.16405	53.6
191.14313	7.1
191.17955	62.5
193.15878	26.7
197.13203	3.9
199.14783	11.3
201.16389	30.1
203.14366	4.5
203.17964	54.9
205.15903	70.4
205.19453	11.4
207.17426	5.2
209.15358	6.7
211.14867	2.5
213.16321	10.7
215.17958	38.7
217.15881	8.9
217.19493	16.0
219.17395	16.8
219.21103	3.7
221.19113	13.3
227.18010	7.1
229.19537	20.0
231.17433	7.4
231.21092	15.9
233.19020	36.1
233.22630	2.8
235.20682	2.9
241.19461	6.4
243.21138	10.9
245.06343	4.5
245.22656	2.9
247.20750	2.2
255.11366	2.8
255.21217	5.6
261.22104	3.0
269.22684	8.0
273.22189	8.0
283.24152	8.4
286.04736	12.5
287.13922	3.5
287.23697	2.7
289.05347	16.7
297.25720	6.5
299.12900	2.7
301.07034	30.5
302.04291	4.5
311.27356	2.8
317.06580	8.0
323.17529	2.4
326.04288	7.8
328.05783	3.2
341.06540	8.8
351.12506	3.4
351.28696	5.6
369.13110	4.5
369.29672	3.1
383.20477	3.9
405.35248	21.1
409.16125	2.2
423.36258	90.1
437.15759	5.2
455.17068	62.1
554.88055	2.2
573.36298	7.3
575.55414	2.4
599.40039	3.6
617.11530	4.9
617.25562	3.3
617.35004	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01827	1.3
55.02069	0.4
55.05471	0.3
57.03394	1.1
61.02882	1.0
66.99071	0.2
67.05466	0.4
67.27202	0.2
67.34531	0.2
68.99755	1.0
69.03434	6.6
69.07076	7.9
69.49065	0.6
69.49491	1.2
71.04950	0.7
73.02916	1.2
81.03423	6.6
81.07030	0.3
83.08562	0.3
85.02907	8.2
87.00839	4.1
87.12788	0.2
91.03892	0.3
91.05455	0.5
93.07000	0.4
95.04931	0.3
95.08601	0.4
97.02893	3.2
99.04467	1.7
103.03905	0.7
103.05446	0.5
105.01879	1.4
109.02265	0.3
109.02881	4.2
117.01814	0.7
119.08572	0.4
127.03917	6.8
127.05373	0.3
129.01807	0.8
129.59131	0.3
131.04886	0.7
134.03561	0.8
135.62358	0.3
145.04961	1.6
147.02852	0.4
147.07996	0.4
157.02792	0.4
159.02905	2.1
165.01778	0.5
165.09126	0.6
168.00571	1.5
169.01329	1.4
169.04961	0.3
169.06445	0.4
183.01553	0.3
183.02905	2.4
186.01593	0.4
189.03966	0.3
197.06017	0.3
214.06128	0.6
225.05447	0.4
231.04944	1.0
239.06952	0.3
241.04868	1.0
242.05780	1.2
253.05025	0.3
257.04352	0.3
257.07910	0.4
267.06714	0.4
269.04388	2.1
270.05246	9.0
271.05917	0.3
281.62601	0.3
285.04007	0.7
285.07574	1.4
286.04724	8.6
295.06006	1.3
297.03998	0.4
298.04733	26.1
299.05347	1.0
301.07068	12.9
310.04675	1.5
311.05493	0.7
312.06415	0.4
313.07062	100.0
314.07382	1.1
322.04749	0.4
323.05539	1.7
324.06366	0.6
325.06952	1.4
335.09079	0.3
336.06329	0.7
337.07104	1.0
339.08771	1.0
343.08151	0.5
350.07928	0.3
351.08618	1.7
354.10574	0.3
355.08105	0.5
363.08655	0.5
364.09430	1.6
365.10178	0.7
367.11987	0.6
369.13351	81.9
370.13727	0.9
379.11874	2.7
381.13293	3.4
393.13412	1.8
405.13495	0.5
409.13013	0.7
411.14401	0.9
419.11499	0.5
459.14557	0.5
477.15552	1.0
495.16797	0.6
502.12662	0.3
513.17603	1.0
531.18726	0.5
555.18665	0.4
617.18658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60697	0.3
53.03931	0.6
55.01873	0.6
55.05513	0.5
57.03421	0.7
59.04998	0.7
61.04047	0.3
67.05499	0.9
69.03430	2.6
69.07062	1.5
71.04984	0.6
71.52225	0.4
72.08166	0.5
73.02899	0.6
79.05482	0.5
81.03425	2.7
81.07050	1.5
83.08620	0.8
85.02906	3.6
85.06509	0.4
87.00837	1.6
87.04474	0.4
89.06028	2.5
93.07047	1.6
95.04955	0.3
95.08610	1.4
97.02929	1.7
97.06524	0.7
99.04445	1.0
100.82287	0.4
105.01872	0.6
105.07030	0.8
107.08575	1.1
109.02870	2.0
109.10164	0.8
118.50390	0.4
119.08564	0.6
121.10188	0.7
123.08076	0.3
123.11682	0.3
127.03937	2.6
133.08620	1.0
133.10176	0.8
134.03629	1.2
135.08028	0.4
135.11673	1.2
141.01781	0.4
145.04977	0.8
145.10123	0.6
147.11716	0.6
149.13231	0.5
153.12762	1.0
159.02896	0.7
165.01854	0.6
169.06689	0.4
171.13879	0.5
175.14946	0.4
177.11150	0.4
183.02910	0.6
186.89055	0.4
191.80968	0.3
197.15425	1.4
211.16931	1.1
214.06273	0.5
241.04897	1.3
242.05731	0.6
253.05119	0.4
269.04224	0.4
270.05295	2.7
285.07645	0.5
286.04736	1.0
298.04733	32.1
299.05002	0.5
301.03470	0.6
301.06998	1.8
311.05615	0.5
313.07065	100.0
314.07407	0.9
355.08215	1.1
369.13354	28.0
455.16949	0.9
475.12463	0.7
517.13232	1.0
531.18518	0.9
561.12415	3.5
573.19440	0.9
617.10864	1.3
617.19916	3.5
617.41095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01860	1.2
55.05517	17.3
57.03445	7.9
57.07085	7.4
59.05003	7.1
62.25331	1.2
67.05512	20.5
69.03426	3.3
69.07075	85.7
69.14735	1.1
69.44389	5.9
69.44804	2.8
70.05867	1.1
71.05000	7.5
71.08598	1.4
73.02930	1.4
73.06552	4.0
79.05498	19.6
81.03415	2.0
81.07064	28.1
83.04980	6.9
83.08627	19.5
85.02906	4.0
85.06526	3.9
87.04481	12.1
87.08094	1.8
89.06039	100.0
91.05488	5.7
93.07048	40.4
95.04978	2.1
95.08618	27.6
96.04482	3.4
97.02827	1.1
97.06539	34.3
97.10152	3.1
99.04450	4.9
101.06013	3.9
103.07599	2.4
105.07024	4.3
107.07085	1.5
107.08601	33.2
109.02928	1.3
109.06520	1.4
109.10173	14.9
111.08081	8.2
111.11729	10.8
115.07557	4.0
116.55992	1.4
117.09151	1.6
119.08597	1.7
121.10143	7.3
123.08011	1.4
123.11751	1.5
127.03984	1.7
129.09084	1.5
131.07036	4.3
133.08612	69.6
133.10146	1.8
135.04390	1.3
135.11700	76.3
139.11183	12.1
147.11723	2.0
153.12759	80.5
157.12267	8.6
167.17511	1.1
168.00635	1.8
171.13815	63.0
175.09662	4.5
177.11241	32.2
183.02904	6.9
183.13803	3.4
186.01569	1.8
191.14410	1.3
197.15387	85.8
213.14876	1.4
215.16429	20.4
221.13806	5.7
229.14427	1.3
229.18010	5.6
239.14865	2.0
247.05969	1.2
249.70996	1.3
255.19499	7.9
259.19055	4.3
265.16455	1.5
269.37866	1.2
273.20590	5.6
277.12769	1.3
283.17682	4.0
303.21658	2.2
327.20145	2.6
347.24124	2.3
350.10974	1.5
353.21765	2.3
368.15036	2.5
371.22815	22.0
391.26736	2.0
411.25830	2.6
419.07364	3.4
454.15668	2.1
523.34625	3.3
581.38971	4.4
599.40021	2.8
616.10980	6.4
616.33691	1.6
616.42944	7.0
617.09235	2.5
625.79559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.8
54.29731	0.8
55.05501	2.8
57.07082	43.7
59.05008	15.7
60.39486	0.7
67.05495	1.5
69.07072	1.8
69.33824	4.9
71.08638	79.6
73.06560	3.2
79.05537	0.9
81.07079	0.9
85.10194	45.2
87.04478	10.8
89.06041	100.0
93.07077	1.4
93.54924	0.7
95.08617	2.1
97.10194	1.5
103.07582	6.7
105.07013	1.9
107.07086	2.5
107.08601	1.7
117.09137	3.9
117.12793	0.8
119.08595	1.4
121.10143	1.3
123.08057	1.3
127.14835	5.5
130.08661	3.3
131.07089	4.1
131.08559	1.0
131.10600	0.9
133.08621	77.1
135.10181	0.9
137.88454	0.7
141.16370	1.9
159.64233	0.7
161.11720	1.5
165.09129	0.9
169.10124	1.0
175.09680	4.5
175.58426	0.8
177.11238	33.0
185.19031	7.4
192.71086	0.8
219.12305	1.2
221.13756	6.6
229.21678	6.2
237.13315	0.9
239.15045	1.3
265.16534	2.4
273.24216	1.6
283.17578	2.3
309.19147	1.4
327.20160	2.3
333.10501	0.8
353.21396	1.7
371.22690	2.2
386.59357	0.8
397.24130	1.4
405.82101	0.9
415.25418	16.4
455.28528	3.7
459.28043	2.5
557.16388	1.2
599.43823	4.6
616.18091	1.0
616.47205	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	617.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13160	0.2
60.42467	0.2
67.05487	0.5
69.03412	0.5
69.07078	25.7
70.56919	0.3
70.57264	0.4
81.03409	0.6
85.02884	0.9
87.00838	0.4
93.42912	0.2
97.02875	0.3
99.04439	0.3
109.02868	0.6
123.94640	0.3
127.03937	1.1
127.04733	0.2
131.04909	0.5
132.05565	0.2
156.84515	0.2
157.02852	0.2
159.02815	0.3
168.00517	1.2
169.01321	0.6
183.02934	1.1
183.04303	0.2
186.01581	0.5
214.06432	0.3
223.78596	0.2
242.05768	0.6
245.23279	0.2
255.06581	0.4
257.08118	0.5
258.05292	0.5
267.06772	0.2
269.04474	1.6
270.05261	7.9
280.32104	0.2
282.05264	0.2
285.03986	1.6
285.07568	1.4
286.04752	25.3
287.05289	0.3
295.05933	1.3
298.04764	6.4
299.05371	1.0
301.07095	35.1
305.34256	0.3
311.05502	0.4
312.06244	0.3
313.07092	40.6
314.07309	0.4
325.07288	0.3
327.08743	0.2
337.10770	0.3
339.08844	0.3
354.10526	0.2
369.13373	100.0
370.13782	1.3
531.25922	0.2
617.18646	0.5
636.55566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.05516	17.0
57.03447	5.1
57.07080	5.4
60.05679	2.7
65.93916	2.7
67.05511	29.7
69.03437	4.5
69.07072	27.7
71.01375	5.3
71.52179	4.1
73.02908	6.8
77.80768	2.6
79.05490	24.7
81.03396	2.8
81.07066	60.3
83.04992	14.2
83.08611	11.8
85.02919	29.5
91.05487	36.0
93.07059	57.5
95.01318	7.9
95.04992	8.0
95.08615	99.0
97.02892	4.2
97.06550	8.1
97.10158	13.1
105.04602	3.0
105.07040	88.2
107.08599	78.5
107.09313	5.2
109.06541	5.2
109.10159	53.6
113.02351	9.2
117.07034	14.5
119.08585	100.0
121.06603	3.1
121.10148	64.4
123.08076	8.5
123.11724	24.7
125.09648	8.5
127.03962	3.2
128.06248	4.6
129.06999	8.2
131.03404	3.6
131.08585	34.5
133.10144	78.6
135.11711	54.3
137.09590	2.7
137.13274	6.6
141.01849	11.5
141.07132	3.1
142.07796	5.4
143.08568	20.4
144.09404	5.9
145.09024	5.5
145.10127	48.0
147.10555	3.3
147.11699	59.0
149.09651	3.4
149.13264	42.3
151.11235	3.7
151.14812	3.0
155.08636	5.0
156.09369	4.7
157.10161	26.8
158.10945	3.5
159.02942	4.5
159.08009	2.7
159.11703	66.3
161.09583	4.4
161.13263	75.8
161.15390	3.5
163.11288	3.9
163.14806	29.0
165.12764	4.9
167.07066	4.4
169.10112	8.4
170.10918	5.5
171.11668	16.8
173.13284	42.2
175.11235	3.8
175.14828	34.0
177.12762	81.5
177.16393	12.1
179.14313	70.3
183.02908	2.5
183.11688	7.7
184.12497	3.7
185.11807	4.3
185.13290	32.3
187.14830	32.5
189.12798	7.9
189.16391	62.5
191.14297	22.3
191.17967	56.3
195.11812	3.5
197.13345	7.9
199.14792	13.9
201.16412	34.9
203.14331	92.9
203.17967	53.0
205.15903	4.7
205.19443	3.2
207.17505	6.9
210.28325	2.6
211.14836	7.7
213.16437	11.6
215.14359	10.3
215.17915	15.1
217.16046	13.9
217.19514	12.9
221.19046	3.2
223.14827	4.2
225.16431	4.8
227.17886	7.1
229.15921	8.2
229.19525	10.3
231.17506	14.0
231.21130	8.5
241.19470	7.2
243.21115	7.3
253.19492	3.9
257.19095	3.4
259.20477	3.2
269.19156	3.0
269.22708	4.2
271.05820	3.3
271.20459	16.8
281.22638	5.1
283.20682	5.6
285.22125	7.7
299.23615	3.6
301.07028	3.8
379.29855	3.8
391.33704	6.0
393.35062	8.7
403.33655	12.8
421.34677	95.8
439.35532	4.9
508.99313	2.6
571.34912	8.5
573.34552	3.6
597.31500	4.5
615.11121	17.9
615.31555	30.2
615.39941	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	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84402	1.3
53.03955	1.4
55.05516	12.1
57.03442	3.5
57.07074	5.2
64.55580	1.3
65.03950	1.3
67.05508	36.4
69.07072	19.9
71.04996	1.8
71.08630	3.0
71.29108	2.6
79.05495	19.2
81.07069	36.6
83.08613	10.1
85.06526	2.1
85.10188	1.7
89.06022	2.3
91.05489	13.6
93.07050	28.5
95.04996	2.0
95.08613	35.2
97.06562	3.1
97.10186	5.2
105.07046	17.0
107.08614	16.8
109.06509	2.3
109.10171	14.5
111.08076	1.5
111.11698	1.5
117.07011	3.3
119.08585	15.2
121.10139	13.5
123.11732	6.2
125.09666	2.0
126.13167	1.5
131.08571	11.0
133.10141	10.9
134.92068	1.3
135.11658	8.2
137.09724	1.4
137.13249	3.8
143.08646	1.6
145.10176	7.9
147.11679	10.1
149.09569	1.3
149.13278	6.8
151.14874	1.5
157.10193	2.6
159.11720	5.4
161.13347	4.3
163.14841	3.5
165.16443	1.3
171.11781	2.7
173.13287	4.0
175.14780	3.0
177.16446	2.5
185.13295	2.4
187.14868	2.2
189.16409	1.6
191.17975	1.6
201.16560	2.1
233.22739	2.2
241.19621	1.5
243.21188	2.4
245.22728	3.0
259.20673	3.3
261.22116	7.8
263.23706	2.4
287.23822	2.3
335.25720	8.9
337.27457	9.3
339.29056	3.8
380.17487	1.4
486.61139	1.8
523.45172	4.6
541.46600	3.4
597.49036	12.3
615.49908	100.0
616.50519	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.4
53.03942	5.4
55.01871	3.1
55.05318	1.8
55.05519	20.7
56.28203	2.0
57.03431	6.8
57.07067	8.1
57.10945	1.7
57.77652	1.9
59.04994	4.7
61.48960	1.8
65.03945	2.5
67.05512	28.8
69.03436	14.2
69.07076	29.3
70.10588	7.8
71.04980	8.0
79.05500	21.1
81.03432	29.6
81.07064	84.5
81.37473	1.8
83.05006	14.3
83.08624	28.8
85.02916	11.7
85.06540	4.9
89.06037	5.6
91.05486	27.6
93.07051	30.5
95.04978	69.1
95.08614	28.6
97.02910	13.2
97.06548	14.5
97.10175	16.1
99.04478	13.6
99.08089	3.1
105.06403	3.4
105.07044	52.1
107.04966	2.4
107.08607	42.0
109.02901	19.6
109.06534	63.5
109.09480	2.8
109.10172	41.9
111.08076	4.4
111.11722	3.5
115.07584	3.3
116.06340	2.1
117.07030	3.2
119.08590	41.0
121.10160	42.3
123.08070	9.4
123.11725	39.5
125.09689	2.9
127.03931	28.0
127.07529	4.4
129.07016	4.2
131.08585	21.8
133.08641	3.8
133.10150	82.9
135.08083	17.0
135.11697	16.3
137.09666	2.8
137.13321	2.8
139.11197	4.5
141.09074	2.5
143.08601	4.6
144.09418	2.4
145.04979	4.2
145.10146	15.0
147.10519	3.7
147.11707	75.8
149.09602	3.9
149.13272	28.1
151.11154	7.4
153.09128	27.6
157.10175	3.7
158.10892	7.3
163.11281	3.4
163.14807	5.1
165.12770	46.4
167.14342	6.4
171.17464	4.0
173.13293	69.3
175.11221	6.5
175.14812	2.7
179.88104	2.3
183.13776	9.7
191.13005	3.8
191.14328	100.0
193.12311	10.6
209.13573	3.2
209.15402	46.0
211.13284	5.6
227.16420	6.9
229.14372	62.1
229.21571	2.0
255.60858	2.0
261.32275	2.2
270.04800	2.7
286.04675	5.5
287.25769	2.9
301.07004	5.3
309.16971	2.5
310.89291	2.1
313.07050	8.1
319.15311	8.4
337.16510	34.0
353.19437	2.5
355.17535	31.8
369.13437	12.2
373.18405	5.9
419.34033	2.1
437.34729	8.2
487.75925	2.1
598.34247	3.6
616.11829	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	615.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05504	13.0
55.31532	4.2
57.03437	10.9
57.07080	100.0
58.04205	5.3
59.05006	73.9
64.38692	3.9
67.05515	21.5
69.07063	15.5
70.06600	54.1
71.05001	6.4
71.06913	4.4
71.08636	92.3
71.55005	8.8
72.05782	4.3
73.02925	5.9
73.06559	9.1
73.67415	4.1
79.05495	10.0
79.84961	3.8
81.03419	9.2
81.07059	28.7
83.05000	4.2
83.08608	16.6
85.06529	6.7
85.10188	90.9
87.04472	10.9
88.05188	4.5
89.06038	25.1
90.01932	37.4
90.84993	3.7
91.05473	19.4
93.07037	16.0
95.04992	10.6
95.08605	18.2
97.06550	5.0
97.10156	8.5
99.11771	9.6
100.08879	4.3
101.09642	6.6
103.07591	12.6
105.07048	21.0
107.08597	15.8
109.06546	7.7
109.10166	14.8
110.03084	3.4
116.06348	6.2
116.07100	70.3
117.07450	12.6
117.09142	17.5
119.08564	15.8
121.10155	11.3
123.08048	7.4
123.11740	5.4
129.07062	6.3
131.08557	4.5
133.08606	15.9
133.10123	8.6
141.16310	4.9
142.07799	7.5
143.08540	8.0
145.10110	10.2
147.08043	6.1
149.96797	4.4
151.07565	7.2
157.10117	6.8
159.11679	6.7
163.11191	7.5
165.09134	9.3
171.11754	7.4
173.13219	5.7
177.12755	4.1
178.07141	7.5
183.11722	5.6
186.84837	4.7
193.12328	4.6
199.20598	14.2
221.15387	22.2
222.09737	6.4
257.24765	12.9
266.12045	5.1
267.15857	20.6
268.16156	11.5
337.27402	9.1
338.27789	9.4
346.00928	4.4
356.26663	7.9
415.25375	6.0
464.39294	10.4
530.39288	16.6
539.24194	46.3
548.39996	5.9
615.42126	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.05514	16.8
57.03442	4.4
57.07076	5.8
58.23741	1.6
65.03938	2.6
66.12383	1.5
67.05510	43.6
69.07071	20.7
69.85522	3.7
69.85921	2.8
71.04976	1.9
71.08642	1.8
79.05495	24.2
79.24100	1.4
81.07061	51.4
83.08627	12.8
85.06539	1.9
89.06023	2.6
91.05485	17.7
93.07047	31.8
95.04985	2.6
95.08614	43.6
97.06555	1.8
97.10188	5.5
99.08063	2.1
105.07040	20.1
107.08601	22.6
109.10171	21.9
111.11790	1.6
114.36450	1.5
117.07034	5.0
119.08587	18.3
121.10162	17.1
123.08109	2.4
123.11731	6.6
125.09647	2.9
129.07008	2.1
131.08583	9.8
133.08624	1.9
133.10139	11.7
135.11705	11.5
137.13297	2.0
143.08563	2.7
145.10149	14.8
147.11676	10.4
149.13245	7.5
151.14824	2.0
155.41142	1.5
157.10216	2.9
159.11722	8.7
159.18793	1.5
161.13313	6.8
163.14897	2.9
169.10234	1.5
171.11684	1.6
173.13315	6.4
175.14830	3.3
177.16403	1.8
185.13239	3.1
187.14938	2.8
189.16415	4.0
191.18011	1.8
199.14899	3.2
201.16379	1.8
217.19440	1.7
241.19672	1.6
243.21098	2.1
247.24196	1.7
259.20718	2.4
261.19699	1.4
261.22079	6.8
278.11349	1.7
333.24423	1.5
335.25827	8.8
337.27405	10.6
339.29092	2.6
343.29703	1.7
374.74200	1.5
503.37280	2.1
517.38806	2.0
523.45087	3.4
531.40338	2.3
541.46014	1.9
597.48602	11.4
615.49866	100.0
616.49963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01862	0.1
55.05515	0.2
57.03445	0.2
67.05499	0.4
68.99812	0.2
69.03432	0.4
69.07076	0.3
70.02210	0.6
71.04999	0.2
79.05495	0.3
81.03434	0.3
81.07059	0.1
83.04964	0.2
85.02929	0.8
87.00822	0.3
91.05458	0.2
93.07047	0.3
95.04961	0.3
97.02865	0.2
98.20843	0.2
99.00859	0.2
105.01896	0.2
105.07015	0.3
105.08525	0.1
107.08633	0.2
109.02885	0.3
119.04926	0.4
127.00274	0.4
127.03937	0.5
128.06239	0.2
129.07010	0.2
131.08554	0.2
140.01109	0.2
141.06978	0.2
143.08559	0.2
145.06442	0.2
151.07608	0.2
153.07050	0.2
155.08556	0.3
156.09277	0.2
157.06451	0.2
157.10112	0.2
159.02898	0.4
159.08040	0.2
159.11757	0.2
165.07010	0.5
166.07854	0.2
167.99199	0.3
168.00563	3.9
168.05901	0.2
169.01340	5.9
169.06470	1.2
170.07309	0.3
171.08009	0.4
172.08812	0.2
183.02905	10.6
183.08086	2.4
184.07257	0.2
184.08856	2.9
185.09621	0.9
186.01611	1.5
193.53160	0.1
194.02090	0.4
195.02917	0.2
211.07552	1.4
221.04437	0.2
223.07645	0.1
253.08429	0.2
270.05164	0.4
282.05316	0.2
286.04825	0.2
293.04437	0.2
295.06171	0.3
296.06842	0.2
298.04810	0.3
299.09064	0.2
302.04248	0.2
306.08942	0.3
307.09665	0.3
309.04193	0.3
309.07565	1.0
310.04758	2.6
313.07077	0.5
317.08154	0.2
319.06052	1.6
323.09171	0.5
324.06461	0.2
324.10043	0.4
325.07098	1.6
329.06470	0.3
333.07513	0.7
334.08380	2.0
335.09036	0.4
336.06320	0.2
337.07089	16.8
339.12363	0.3
349.10742	0.6
351.08688	2.9
352.05057	0.2
352.09464	5.1
367.11792	100.0
368.12204	1.2
453.15430	0.6
608.03674	0.2
615.16388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13458	0.2
55.01876	0.3
55.05511	0.3
65.03951	0.3
66.48309	0.2
67.05537	0.3
68.99805	1.2
69.03428	0.5
69.07069	0.2
69.63569	0.2
69.63920	1.1
70.06602	0.3
71.04996	0.3
79.05496	0.3
81.03434	0.3
81.07047	0.3
85.02935	0.4
87.04459	0.2
91.05497	0.5
93.07051	0.3
95.04958	0.2
95.08620	0.3
97.02900	0.4
97.06518	0.4
99.00842	0.2
99.04482	0.2
100.07652	0.2
105.03405	0.6
107.04948	0.9
107.08596	0.4
109.02914	0.4
109.10119	0.2
118.04166	0.4
119.04974	0.7
119.08603	0.3
121.02869	4.0
121.06543	0.2
127.00230	0.2
127.03942	0.7
133.02840	1.2
133.10117	0.2
134.03690	0.3
135.04439	0.4
136.05270	0.2
137.06006	0.5
139.00281	0.7
145.02864	0.4
147.04451	0.6
147.11719	0.2
153.01833	0.7
159.11739	0.2
161.02364	0.4
161.05930	0.2
161.09587	0.2
165.01913	0.5
167.07074	0.5
168.00558	1.1
169.01349	1.8
177.05531	0.4
181.01279	0.3
183.02899	2.2
185.00861	0.4
186.01640	0.5
187.03955	0.3
199.03984	0.2
200.04782	0.2
207.06609	0.3
212.04802	0.3
213.05583	0.2
217.16019	0.3
225.05621	0.2
226.02589	0.2
226.06305	0.2
227.03479	0.6
228.04283	0.2
231.02649	0.2
234.06671	0.2
237.05568	0.4
239.03522	0.2
240.04160	0.3
241.04890	0.3
243.02876	0.2
244.03606	0.9
251.03676	0.2
252.04276	0.2
253.05011	0.5
254.05846	0.2
255.02966	0.4
257.04578	0.7
259.05978	0.3
265.05026	0.5
268.03729	0.6
269.04535	0.8
271.02472	0.2
271.05927	0.4
272.03052	0.2
278.62415	0.2
281.04526	0.4
282.05228	0.6
285.03934	0.6
286.01993	0.2
286.04556	1.0
287.05655	0.7
291.06525	0.3
292.04297	0.2
292.07309	0.2
293.04391	1.9
294.05234	0.4
296.03174	0.5
297.03888	1.0
298.04730	0.2
300.02664	0.2
301.03943	0.3
301.07022	1.0
302.06061	0.2
303.06644	0.2
305.04269	0.2
305.08035	0.3
306.05182	0.3
306.44058	0.2
307.02441	0.2
307.06195	0.2
309.04065	0.6
310.04745	0.4
311.05634	0.7
312.06223	1.2
313.03467	0.3
314.04385	0.5
315.06052	0.3
316.07162	0.4
317.08054	0.3
319.06024	0.5
320.03183	0.2
320.06671	0.4
321.04138	0.5
323.05280	0.8
325.03644	0.2
327.06595	0.5
331.06107	0.4
333.07550	0.2
335.05600	0.3
336.06235	0.3
337.03381	0.4
339.05246	0.3
343.06308	0.5
344.06845	1.1
345.07684	0.8
346.05029	0.2
347.05627	0.6
348.06311	0.6
349.03448	0.3
355.06046	0.3
357.07651	0.2
358.08698	0.3
359.05542	0.4
360.06357	0.6
361.03397	0.3
361.07126	1.5
363.04993	0.4
363.09290	0.2
364.06000	0.4
366.03857	1.2
367.04547	0.5
369.07751	0.4
370.08182	0.2
371.05511	0.5
372.06372	0.6
373.03094	0.3
373.07159	1.6
375.04971	0.9
376.05997	1.7
377.02676	0.3
377.06924	0.3
379.04712	0.3
385.07346	0.5
386.07895	2.2
387.08997	0.3
388.05841	0.3
389.06635	3.1
390.07483	2.0
391.04529	0.5
392.05554	0.6
393.02478	0.6
395.04190	0.7
397.07123	0.2
399.04379	0.2
399.09125	0.3
400.05771	0.6
401.06726	0.8
402.07510	0.3
403.04297	0.3
404.05252	4.5
404.10419	0.3
405.06232	0.8
409.06793	0.3
411.08505	0.2
413.06592	0.9
414.07413	2.1
415.08490	0.9
416.05252	0.5
417.06232	0.5
418.06891	5.7
418.12506	0.3
419.07718	10.0
420.04617	2.5
421.06265	0.5
423.03564	2.0
424.05682	0.4
425.07037	0.2
427.07953	0.2
432.08640	0.2
433.09299	0.2
435.03256	0.2
437.06006	0.4
438.06326	1.0
441.06061	0.5
444.05017	0.7
445.06207	0.4
447.03400	1.1
448.05353	0.2
449.01227	0.3
449.06818	0.3
451.02850	0.5
455.07724	0.6
465.04688	2.8
466.06750	0.5
467.07721	0.3
477.06146	0.2
479.07614	0.4
480.08392	0.3
481.09131	0.2
482.06039	0.2
483.06815	0.9
491.07465	0.3
493.05557	0.3
494.06284	0.4
495.07236	0.3
507.06958	0.3
508.08075	0.3
509.09058	0.9
511.06747	1.3
522.05676	0.3
525.08380	0.3
529.07996	1.0
536.07343	0.4
537.08179	1.3
539.06177	1.9
540.06458	0.2
553.07520	0.6
554.08636	0.7
556.06348	0.4
557.07086	1.1
564.06989	0.2
565.07819	2.2
567.05536	0.8
568.06134	0.4
569.11041	0.4
571.08112	0.4
582.07886	1.7
583.08575	0.8
585.06671	3.2
597.10394	2.5
599.08160	0.2
600.09021	0.8
615.11359	100.0
616.11560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
59.05000	0.3
60.13858	0.3
64.30502	0.3
66.51184	0.2
67.01845	0.4
67.05508	0.5
68.99790	0.9
69.07060	0.5
71.16793	0.6
81.03387	0.3
81.07051	0.5
85.02899	0.4
91.05494	0.8
93.07056	0.5
95.04950	0.3
95.08631	0.6
97.10140	0.3
105.07005	0.6
107.04959	0.5
107.08546	0.3
108.02110	0.4
109.10159	0.5
115.05463	0.4
117.03362	0.4
121.10133	0.4
127.03928	0.4
129.06978	0.3
131.04889	0.5
133.10089	0.4
134.03644	0.7
135.04372	0.4
137.02357	0.4
139.00264	1.1
153.01811	0.7
159.04549	0.3
167.07047	0.4
168.00549	1.2
168.05740	0.5
169.01357	0.6
169.06508	0.4
171.04446	0.8
172.05157	0.7
173.13187	0.3
183.02901	2.0
183.04337	0.3
183.11678	0.3
185.00853	0.7
185.05989	0.3
186.01610	0.8
186.06734	0.3
187.03998	0.4
197.06055	0.7
199.03929	0.5
200.04724	1.8
210.03331	0.3
211.03992	0.4
213.05539	0.8
215.03462	0.4
216.04276	0.8
217.05080	0.5
225.05557	0.5
226.02831	0.3
226.06293	0.6
227.03493	1.0
228.04195	1.4
229.04977	0.7
241.04988	1.0
242.05699	1.5
243.03018	0.3
243.06598	0.5
244.03731	1.5
245.04517	0.9
253.05006	1.0
254.05798	1.8
255.02905	1.5
256.03683	6.8
257.04431	2.9
259.06094	1.3
263.07034	0.4
269.04416	1.8
270.05270	4.0
271.03214	0.3
271.05984	2.1
272.03134	2.3
272.05954	0.4
273.03955	7.6
281.04385	1.9
282.05255	3.0
283.02374	0.9
284.03192	16.4
285.04037	3.7
285.07269	0.5
286.04694	2.3
287.05484	2.8
297.03989	5.3
298.04745	10.9
299.05527	12.3
299.08978	0.7
300.02707	26.0
300.06277	2.4
301.03488	43.4
301.07086	4.4
302.04163	1.0
315.04996	22.3
316.02194	0.8
316.05804	2.5
319.05942	0.4
347.05573	0.5
364.32413	0.4
367.15546	0.5
376.05835	0.6
389.06705	0.4
404.05212	4.8
404.33670	0.3
418.07169	0.5
419.07651	3.9
433.09271	0.4
453.15585	0.8
582.78351	0.3
615.11346	100.0
616.11768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1135
Annotation	Crisamicin C
Peak:m/z	Relative Intensity
53.03941	0.2
55.01869	0.3
60.16988	0.1
63.21260	0.2
65.03925	0.3
65.71968	0.2
66.74869	0.2
67.05516	0.2
68.99792	1.2
69.03394	0.1
69.16283	0.7
69.16705	1.1
71.48917	0.1
79.05497	0.3
81.07053	0.4
84.99258	0.2
85.02895	0.3
91.05486	0.3
95.05021	0.2
97.02888	0.3
97.06516	0.2
103.05504	0.2
105.03401	0.6
105.07002	0.3
107.04947	0.8
107.08610	0.3
109.02840	0.3
118.04192	0.3
119.04962	0.4
121.02862	4.4
121.06509	0.2
121.10123	0.3
127.03925	0.2
133.02858	1.1
135.04463	0.5
135.11662	0.2
136.34831	0.2
137.02335	0.3
137.06009	0.2
139.00298	0.8
145.02855	0.2
147.04448	0.7
153.01842	0.7
161.02406	0.4
165.01862	0.7
166.99753	0.2
167.07025	0.2
168.00566	1.3
169.01343	2.1
169.06471	0.2
171.04486	0.2
175.03851	0.3
177.05508	0.5
181.01459	0.2
183.02913	2.0
185.00804	0.5
186.01654	0.5
187.03853	0.4
197.06125	0.2
199.03975	0.2
200.04750	0.3
207.06537	0.4
212.04779	0.3
216.04361	0.3
218.07463	0.2
221.08018	0.4
227.03444	0.4
229.05083	0.2
230.02138	0.2
239.03481	0.3
240.04182	0.3
241.04964	0.3
244.03662	0.8
252.04387	0.2
253.04988	0.2
254.05765	0.3
255.02913	0.5
256.03601	0.5
257.04544	0.6
259.05988	0.4
265.05014	0.6
266.05783	0.2
266.50427	0.2
268.03748	0.7
269.04517	0.8
271.02618	0.2
272.03165	0.5
273.04172	0.2
281.04523	0.5
282.05209	0.8
285.04044	0.6
286.04684	1.5
287.05093	1.0
291.06577	0.2
292.07404	0.3
293.04453	2.2
294.05374	0.3
296.03226	0.6
297.04028	0.8
299.05557	0.3
300.02869	0.4
301.03796	0.3
301.07031	1.5
302.05655	0.2
303.06592	0.5
306.05380	0.3
308.03381	0.2
308.06805	0.2
309.00909	0.2
309.03995	0.4
311.05484	0.8
312.06232	1.4
314.04254	0.4
315.05411	0.4
316.07318	0.3
317.08096	0.4
319.06293	0.5
320.06839	0.6
321.03946	0.5
322.04636	0.2
323.05679	0.7
325.03726	0.3
327.06546	0.4
329.08203	0.2
330.05408	0.4
331.06119	0.4
332.06934	0.3
333.03995	0.3
333.07755	0.4
335.05460	0.3
336.06525	0.2
337.03473	0.6
337.07147	0.2
338.04297	0.4
339.05237	0.3
343.06094	0.4
344.06821	1.2
345.07681	0.6
347.05478	1.0
348.02640	0.2
348.06372	0.6
349.03445	0.4
350.04269	0.4
351.04938	0.3
357.07645	0.4
358.08569	0.3
359.05496	0.4
360.06366	0.4
361.03210	0.4
361.07208	1.6
363.05017	0.4
364.05914	0.3
365.02878	0.3
366.03708	1.7
367.04721	0.5
367.11795	0.5
371.05417	0.4
372.06339	0.7
373.07184	1.9
375.04865	1.4
376.05856	1.6
377.03116	0.3
379.04379	0.2
380.05539	0.5
381.07413	0.3
385.07089	0.6
386.07892	1.8
387.08795	0.7
388.05856	0.2
389.06647	3.6
390.07458	2.0
391.04315	0.4
391.08749	0.3
392.05325	0.5
393.02490	0.5
393.06967	0.3
395.04111	0.8
397.07004	0.3
399.04599	0.3
400.05798	0.8
401.06805	0.9
402.07443	0.6
404.05249	4.3
405.06235	0.6
408.04913	0.3
409.06409	0.5
413.06653	1.0
414.07437	1.9
415.08453	0.9
416.05307	0.5
417.06171	0.8
418.06909	5.9
419.07681	10.2
420.04776	2.5
421.06427	0.5
423.03448	1.7
424.05130	0.2
427.08310	0.3
432.08621	0.3
433.09146	0.4
435.03488	0.3
437.06052	0.4
438.06146	0.8
439.07877	0.4
441.06122	0.7
444.04556	0.9
445.05530	0.6
447.03506	1.1
449.01285	0.3
451.02872	0.3
451.08282	0.3
455.07626	0.5
465.04599	2.7
466.06937	0.4
467.07373	0.3
481.09042	0.5
483.06943	1.2
490.06790	0.2
491.07425	0.4
493.05893	0.4
494.06271	0.5
495.07355	0.3
507.07300	0.2
508.07886	0.3
509.08636	0.9
511.06512	1.1
515.05878	0.2
519.07129	0.2
525.08295	0.4
529.07642	1.1
537.08380	1.6
539.05975	1.9
553.07825	0.8
554.08508	0.7
556.06567	0.5
557.07251	1.0
564.07080	0.3
565.07654	2.3
567.05560	0.9
568.06543	0.6
569.10956	0.5
582.07874	1.8
583.08923	0.9
585.06512	3.1
597.10242	2.3
599.08588	0.3
600.09186	1.2
615.11346	100.0
616.11670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1134
Annotation	Crisamicin C
Peak:m/z	Relative Intensity
50.64046	0.2
50.84352	0.2
55.01886	0.2
59.92590	0.2
62.48420	0.2
63.07609	0.2
65.03949	0.3
68.99792	1.4
69.47382	1.2
79.05480	0.3
91.05464	0.2
105.03385	0.8
107.04967	0.6
109.10225	0.2
118.04189	0.5
119.04958	0.5
121.02898	4.0
133.02843	1.2
134.03642	0.3
135.04425	0.5
138.46347	0.2
139.00281	0.9
147.04442	0.5
153.01848	0.7
161.02376	0.7
162.03175	0.2
165.01840	0.6
166.99835	0.3
168.00531	1.6
169.01337	1.5
175.03944	0.2
181.01263	0.2
183.02884	2.1
183.53212	0.2
185.00864	0.3
186.01620	0.6
187.03932	0.3
196.05287	0.2
199.03864	0.3
201.05511	0.3
223.04051	0.2
226.02550	0.3
227.03505	0.4
228.04280	0.3
237.05542	0.4
239.03490	0.3
240.04419	0.3
241.05022	0.3
244.03680	0.9
252.04141	0.2
253.04991	0.3
254.05898	0.4
255.03012	0.4
257.04526	0.6
259.05829	0.2
260.03235	0.3
265.05164	0.5
268.03729	0.9
269.04471	0.8
271.02454	0.2
272.03421	0.2
273.03943	0.4
281.04486	0.5
282.05307	0.5
283.02637	0.2
285.04068	0.7
286.04672	1.4
287.05283	0.9
292.03912	0.3
292.07233	0.3
293.04462	1.8
294.05328	0.3
296.03256	0.7
297.04022	0.9
300.02701	0.4
301.07129	0.9
303.06400	0.3
305.07980	0.3
307.06119	0.4
308.03140	0.3
309.04144	0.7
310.04645	0.3
311.05670	0.6
312.06244	1.6
314.04312	0.5
315.06082	0.6
316.07434	0.3
317.08035	0.5
319.06226	0.3
320.06815	0.6
321.03870	0.5
322.04947	0.2
323.05487	0.6
327.06537	0.3
330.05313	0.3
331.06140	0.6
332.06873	0.3
333.04044	0.3
333.07623	0.3
335.05399	0.3
336.06290	0.3
337.03516	0.4
339.05057	0.5
343.06186	0.6
344.06720	1.3
345.04004	0.2
345.07672	1.0
347.05527	0.9
348.06458	0.4
349.03537	0.3
350.04276	0.5
351.05106	0.5
357.07693	0.5
358.08594	0.3
359.05463	0.5
359.09366	0.4
360.06335	0.8
361.07120	1.6
362.04083	0.3
362.08182	0.3
363.05157	0.5
363.92596	0.3
364.05847	0.4
365.02933	0.3
366.03708	1.8
367.04718	0.6
372.06390	0.5
373.07211	1.7
375.05008	0.9
376.05917	1.5
377.03000	0.4
380.05444	0.4
381.07260	0.3
385.07043	0.6
386.07980	1.8
387.04535	0.3
387.09183	0.4
388.05768	0.3
389.06555	3.2
390.07422	2.0
391.04623	0.6
392.05542	0.6
393.02341	0.3
393.06967	0.3
395.03860	0.9
397.07220	0.4
399.09192	0.2
400.05902	0.8
401.06647	0.8
404.05298	4.4
405.06335	0.6
409.06378	0.4
413.06537	0.9
414.07443	2.0
415.08328	1.2
416.05347	0.6
417.06250	0.8
418.06921	5.4
419.07764	10.8
420.04745	2.7
421.06558	0.6
423.03690	1.8
427.08359	0.4
431.07629	0.2
432.08499	0.5
435.03461	0.3
437.06082	0.7
438.06198	1.0
441.06198	0.8
444.05051	0.6
445.05768	0.6
446.02841	0.3
447.03467	1.3
449.01315	0.4
451.02814	0.3
455.07693	0.7
463.03052	0.3
465.04773	2.9
466.06891	0.4
481.09125	0.4
483.07056	1.3
484.07297	0.2
485.08722	0.3
491.07739	0.3
494.06589	0.9
497.08801	0.2
508.07959	0.6
509.08951	1.1
511.06842	1.5
515.06415	0.3
519.07306	0.3
522.05823	0.3
523.07074	0.3
525.07990	0.4
529.07794	0.8
536.07825	0.3
537.08069	1.6
539.06116	2.1
553.07715	0.6
554.08521	0.7
557.07190	1.7
565.07703	2.4
567.05701	0.8
568.06165	0.5
571.08618	0.3
582.08075	2.1
583.08893	1.1
585.06647	3.8
597.10370	2.5
600.09045	1.3
615.11377	100.0
616.11768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.3
55.05481	0.7
56.05023	0.3
57.07080	6.1
58.06594	1.6
59.04974	0.6
65.03934	0.9
67.46188	0.3
68.05000	0.4
69.07042	1.0
69.61130	1.3
69.61534	0.6
70.06595	15.6
71.08635	2.5
72.08147	0.4
74.06053	0.6
75.02432	0.3
77.52500	0.4
79.05482	0.4
81.07037	0.7
83.08593	0.9
84.08112	0.4
85.02868	0.3
85.10178	1.0
88.07638	18.5
89.06019	0.6
95.08575	0.8
97.06539	0.6
102.09185	15.2
105.03370	0.7
107.08591	0.8
133.08632	0.6
134.67470	0.3
139.03822	0.4
147.04416	0.5
149.02350	36.0
149.13251	0.9
167.14397	0.8
175.03928	0.5
185.15387	1.0
187.11198	0.3
193.04968	48.0
212.23727	0.6
219.06461	0.7
221.17546	0.4
225.05411	1.0
235.07866	0.3
256.26364	37.7
268.10995	0.3
269.04456	1.5
297.03873	2.1
313.07062	2.6
341.06546	9.9
359.07608	6.0
385.09189	41.6
386.09772	0.4
484.26398	0.4
596.32532	0.5
614.33252	100.0
615.33533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
53.04183	1.2
55.01883	2.5
55.05516	24.9
57.03440	16.4
57.07067	5.2
64.46194	1.5
65.03933	2.6
67.05512	56.7
69.03392	1.8
69.07072	25.0
70.06602	2.5
70.58177	4.0
71.04979	3.3
71.08607	3.2
78.47156	1.5
79.05077	1.6
79.05502	23.6
81.03427	76.7
81.06592	2.6
81.07066	54.6
83.04980	5.2
83.08627	26.0
85.06530	2.0
89.06054	2.6
91.05494	26.0
92.13426	1.2
93.07052	23.1
95.04977	23.5
95.08617	44.9
97.02884	1.8
97.06527	5.2
97.10192	9.3
104.82649	1.3
105.07034	19.2
107.04961	6.0
107.08609	13.9
108.42658	1.8
109.06528	2.8
109.10170	19.3
111.08073	5.9
117.07012	3.8
119.08593	19.0
121.06523	2.7
121.10155	15.0
123.08064	4.1
123.11689	8.1
129.06976	9.0
131.08563	11.0
133.06555	2.6
133.08601	1.9
133.10152	11.7
135.11679	6.0
137.09605	2.7
137.13261	2.0
139.11163	1.3
142.07797	2.9
143.08569	2.4
145.10110	3.7
147.08080	2.6
147.11684	10.7
148.25282	1.4
149.09642	5.5
149.13280	2.9
157.10135	12.1
159.11746	2.2
161.13303	3.6
163.11227	3.1
165.12799	2.7
169.17117	1.6
175.11174	8.3
175.14853	3.8
177.11267	1.6
189.16356	2.7
193.12303	19.9
211.13228	2.2
227.12790	2.1
245.22701	3.6
249.14922	2.7
263.23798	5.1
267.15942	100.0
303.26923	2.9
337.27390	95.3
352.24084	1.6
384.23010	3.1
435.27295	1.7
436.36966	1.4
437.34238	2.1
455.35474	6.9
473.36334	3.8
529.38916	80.2
547.39862	28.0
548.39722	1.8
582.28351	3.2
609.28876	1.6
614.29974	6.9
614.39545	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.483
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.38447	0.7
52.53748	0.8
53.03946	2.2
55.01879	1.6
55.05520	18.5
57.03445	6.7
57.07078	4.4
62.12699	0.7
65.03938	2.7
67.05511	48.4
69.07072	18.8
71.04985	2.4
71.08627	0.8
71.38414	1.1
76.46257	0.8
79.05502	28.7
81.07068	56.2
81.14630	0.8
83.04984	1.0
83.08630	10.6
85.06546	2.0
91.05495	22.6
91.24841	0.7
93.07059	34.9
95.04947	2.2
95.08620	46.5
97.06526	2.9
97.10176	5.0
99.08079	0.9
105.04486	1.5
105.07042	25.2
107.08611	28.5
109.10168	23.3
115.05426	0.8
117.07037	10.2
119.08598	24.5
121.10159	21.7
123.08095	1.1
123.11729	9.0
125.09606	1.6
126.70811	0.7
128.06230	0.8
129.07016	3.3
131.08585	17.8
133.10150	20.0
133.11102	1.5
135.11714	12.9
137.09665	1.0
137.13278	3.9
141.06982	0.9
143.08583	6.3
144.09335	0.8
145.10143	16.8
147.11693	14.8
147.53400	0.7
149.13286	8.0
150.68825	0.7
151.11230	0.7
151.14928	0.9
155.08583	2.1
157.10161	5.4
158.10941	0.8
159.11707	15.3
161.13278	8.4
163.14864	3.9
165.70416	0.8
169.10155	2.2
171.11682	6.1
173.13274	11.2
175.14890	5.3
177.12753	0.7
177.16454	1.7
183.11754	1.9
185.13229	5.5
187.14828	6.4
189.16447	2.6
191.17937	1.6
195.11809	1.1
197.13358	1.6
197.32523	0.8
199.14847	3.7
201.16417	2.9
203.17967	1.5
205.16042	1.2
209.13234	0.8
211.14861	1.9
213.16467	3.1
215.18011	2.4
217.19588	0.9
223.14848	1.1
225.16504	0.9
227.18166	1.2
229.19469	1.7
231.21095	1.5
239.17767	0.8
241.19637	3.2
243.21156	2.2
245.22702	1.3
247.20779	1.0
253.19557	0.9
257.18961	1.0
259.20660	8.4
259.24524	0.8
261.22177	10.2
263.23801	1.6
271.20706	1.2
273.22150	1.2
275.23770	1.3
285.22491	0.9
287.23773	1.2
289.25067	0.9
297.24249	1.2
299.23853	1.6
301.25122	1.1
311.23746	0.9
315.23383	1.0
317.24722	1.9
321.24286	1.2
329.14587	0.8
333.24237	5.9
335.25854	15.2
337.27444	8.9
355.29953	1.1
389.30707	1.0
489.35153	1.6
503.36682	1.4
503.42963	1.0
517.39056	1.3
521.43738	5.6
529.38940	1.0
531.40857	0.9
539.44409	2.9
543.40424	1.6
550.42224	0.8
595.47058	10.3
613.48334	100.0
614.48785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4831
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02385	0.7
51.66198	0.6
53.03949	2.5
55.05519	12.7
55.05787	0.9
57.03441	3.4
57.07088	3.2
65.03942	2.3
67.05511	40.7
69.07076	15.2
71.04996	1.1
71.08647	0.7
71.23634	1.3
79.05502	22.4
81.07065	43.7
83.05001	1.3
83.08626	8.0
85.06572	1.2
91.05491	18.4
91.06023	1.3
92.00790	0.7
92.32433	0.6
93.07055	29.5
95.04981	1.2
95.08617	35.7
96.26117	0.7
97.06554	2.4
97.10184	5.0
99.08086	1.2
105.07044	18.5
105.37580	0.6
107.08610	18.2
109.06551	1.1
109.10163	18.9
111.08113	1.1
111.11761	1.1
117.07047	7.4
119.08593	17.5
121.10151	14.9
123.08134	0.7
123.11728	7.5
125.09692	1.3
129.07021	3.8
130.07826	0.8
131.08566	15.1
133.10147	17.6
133.11099	1.2
135.07979	0.7
135.11708	11.4
137.09601	0.9
137.13271	3.3
139.11224	1.1
141.07045	0.8
143.08549	4.6
145.10135	14.6
147.11699	10.8
149.09608	0.6
149.13261	8.4
151.11302	0.9
151.14841	1.7
155.08549	1.6
157.10094	3.9
159.11722	11.6
161.13264	8.8
163.11258	0.8
163.14857	3.8
169.10144	1.7
171.11743	4.8
173.13278	9.5
175.14801	3.4
177.16440	1.6
179.14372	0.9
181.10213	1.1
183.11800	1.8
185.13329	3.9
187.14876	4.8
189.16437	2.3
191.18040	0.9
195.11797	1.1
197.11642	0.7
197.13373	1.4
199.14928	3.1
201.16411	2.8
203.14412	0.9
203.18018	1.6
205.19499	1.0
209.13345	0.8
213.16476	2.0
215.17964	1.5
217.19522	1.5
219.17595	0.8
223.14993	1.1
225.16441	1.3
227.18164	1.1
229.19487	1.1
231.21158	1.2
235.17032	0.9
241.19597	2.9
243.21202	1.7
247.20764	0.9
251.20149	0.9
259.20621	6.4
261.22195	8.3
263.23758	1.1
273.22165	0.8
277.21646	1.3
285.22116	0.9
287.23846	1.2
293.21191	0.7
299.23767	1.6
304.57257	0.7
317.24957	1.1
333.24234	4.8
335.25833	9.3
337.27399	7.2
341.28259	0.9
347.25745	0.8
355.30228	1.0
361.27414	1.2
432.29071	0.7
489.36334	1.3
491.37466	0.8
503.37146	1.6
521.43799	4.3
529.38855	1.8
539.44647	2.6
543.40515	1.9
557.43213	0.8
595.47449	9.5
613.48328	100.0
614.49066	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2664
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05518	0.6
57.07076	0.4
60.00843	0.3
63.49227	0.3
67.05502	0.9
67.23693	0.3
69.07083	0.4
69.51810	2.0
69.57793	0.3
79.05498	0.5
81.07053	0.9
91.05487	0.9
93.07040	1.0
95.04980	0.8
95.08622	0.7
97.06572	0.4
105.07055	0.8
107.08578	0.4
107.84254	0.3
109.06525	1.3
109.10169	0.4
117.07024	0.4
119.08600	0.8
121.10170	0.8
131.08621	0.5
133.10149	0.7
135.08064	0.4
135.11760	0.5
145.10118	0.5
147.04399	0.4
147.11765	0.4
151.15077	0.3
158.09789	0.4
160.02042	0.3
169.10191	0.3
183.09251	0.3
204.06657	0.4
224.66679	0.3
225.10211	0.3
249.10178	0.5
250.13286	0.3
293.21259	0.4
294.21326	0.5
318.12869	0.3
330.12695	0.3
353.17734	0.9
365.14124	0.5
366.14853	0.5
367.15341	0.7
367.19373	1.1
375.68719	0.3
379.15518	0.6
380.16464	0.4
381.16922	2.7
382.17783	0.6
383.19095	0.5
393.17001	0.6
395.14948	0.5
395.18860	2.7
396.19452	4.0
397.20471	1.0
407.19202	0.5
408.20038	0.5
409.15741	1.6
409.20557	1.3
410.21545	0.7
411.22147	2.2
422.21817	0.4
423.17657	3.8
424.18756	3.0
425.19965	0.7
435.18085	0.6
436.67538	0.4
437.16119	2.3
437.20978	0.6
438.20828	2.1
439.21375	6.1
449.19781	1.1
450.21021	0.4
451.17233	5.2
452.18576	1.5
453.19446	0.9
455.20868	0.5
464.18970	0.5
465.19397	1.3
466.19974	4.1
467.20926	2.9
479.20837	2.6
480.21915	0.5
482.23270	1.3
483.24252	1.6
493.22473	1.8
495.20456	0.6
496.17401	0.4
497.18216	0.7
497.25806	1.2
509.26285	0.4
510.22675	1.6
511.20270	0.6
512.23944	0.5
521.21484	0.5
523.20221	0.4
524.20795	0.6
525.25061	11.7
535.23657	0.7
536.24152	0.4
538.22174	2.4
539.23010	0.7
553.24561	20.4
554.24902	0.6
581.23932	0.9
598.24420	0.6
613.26630	100.0
614.26746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03942	2.9
55.01867	1.5
55.04761	0.7
55.05513	15.2
57.03447	7.0
57.07071	4.8
65.03941	2.1
67.05510	41.5
69.03418	1.5
69.07074	15.1
71.04993	2.0
71.08643	2.0
71.52329	0.8
79.05499	32.0
80.05861	0.8
81.03410	2.1
81.07063	44.5
83.04971	1.9
83.08626	6.8
85.06551	1.8
85.10190	1.2
91.05483	29.0
93.07052	35.4
95.04984	2.6
95.08615	36.9
97.06546	2.7
97.10175	2.6
98.14548	0.6
99.08105	1.3
103.05453	1.1
105.04488	0.8
105.07043	29.5
107.04967	1.2
107.08607	22.2
109.06523	2.0
109.10162	14.5
115.05505	1.1
117.07024	14.6
119.08593	25.4
121.10155	16.1
123.08151	1.2
123.11723	3.9
125.09681	1.4
128.06201	1.8
129.05479	0.8
129.07010	9.1
130.07744	1.8
131.08577	20.2
133.10144	19.3
135.11703	10.1
137.13306	2.1
141.06993	2.3
142.07793	2.0
143.08572	11.6
144.09331	0.8
145.10130	19.4
147.08058	0.7
147.11705	16.0
149.09630	1.6
149.13298	5.9
151.14813	0.8
155.08589	6.2
156.09375	1.3
157.10136	11.6
158.10826	0.8
159.11711	14.2
161.13266	11.2
163.14851	2.5
167.08583	1.3
169.10164	6.9
171.11693	10.5
173.13252	11.8
175.14861	3.9
177.16423	1.3
181.10176	2.6
183.11720	6.7
185.13312	9.1
187.14832	4.3
189.16429	2.1
191.14381	0.8
195.11742	2.1
197.13248	5.1
199.14856	4.9
201.16435	3.1
203.17923	0.9
209.13284	1.5
211.14981	3.6
213.16409	3.9
215.17975	2.6
221.13234	1.3
223.14955	1.0
225.16505	2.1
227.18016	2.0
229.19574	1.6
231.21188	2.1
239.18016	2.5
241.19583	8.9
243.21161	2.0
251.17828	1.1
253.19780	1.0
257.19107	3.5
259.20584	15.8
261.22049	4.0
265.19702	0.8
275.20151	1.0
285.22440	1.1
297.22076	1.2
309.81406	0.7
311.23785	0.9
312.51776	0.8
313.21848	0.7
315.23206	1.7
325.25031	1.3
333.24243	9.7
335.22015	0.7
335.25797	20.1
339.27066	1.0
398.41605	0.8
431.32822	1.1
433.34778	2.6
447.12488	0.8
449.34387	0.9
461.32764	0.9
463.20978	0.8
463.34409	0.8
475.34079	0.9
489.35709	1.2
519.41833	5.7
529.39032	1.0
533.24152	1.0
537.42841	2.7
541.39197	2.0
552.26117	0.8
593.26636	1.9
593.45618	7.7
611.28345	8.8
611.46704	100.0
612.47308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01871	3.3
55.05307	1.7
55.05515	17.6
57.03445	13.3
57.07082	16.2
59.04999	10.7
65.03945	2.7
67.05512	49.0
68.05835	1.5
69.07076	21.6
71.01353	2.7
71.04988	5.0
71.08640	11.9
75.72052	1.6
79.05499	25.3
81.03423	20.0
81.07060	56.5
83.01331	1.8
83.04986	7.8
83.08624	13.7
85.02883	3.7
85.06518	1.9
85.10203	8.9
87.04462	6.0
89.06040	3.3
91.05473	22.3
93.07058	28.7
95.04955	8.7
95.08609	39.9
97.02883	4.2
97.06515	6.9
97.10152	4.9
99.08102	2.4
99.11708	1.8
105.07035	16.2
107.04962	9.7
107.08603	18.4
109.06501	6.2
109.10161	15.7
111.04448	19.4
111.08065	3.4
117.07019	6.8
117.09067	2.0
118.09958	1.7
119.08588	15.7
121.06490	4.0
121.10147	12.7
123.08050	5.5
123.11706	4.0
125.05976	4.1
125.09618	2.4
129.06985	2.4
129.13480	1.6
131.07735	1.6
131.08539	8.7
133.10129	7.1
135.08046	2.3
135.11687	15.2
143.08511	2.2
145.10136	14.7
147.08043	2.9
147.11668	5.2
149.13290	2.2
153.12714	6.1
159.11697	2.2
161.09691	1.8
161.13298	4.0
163.11183	18.8
167.14220	1.5
173.09624	5.4
175.14842	1.7
181.12212	3.7
191.10695	6.6
199.20613	2.1
209.11761	9.5
223.13336	14.3
227.12836	7.8
229.51221	2.1
241.14362	23.1
245.22578	1.9
257.24710	1.7
263.23700	3.6
265.14444	5.9
283.15463	16.5
290.14117	2.0
315.18021	33.9
337.27380	100.0
435.32690	1.7
513.86432	1.7
527.37280	5.2
545.38373	47.4
565.90472	3.6
571.91473	2.3
577.31952	3.5
577.41010	60.6
612.28241	1.9
612.46826	10.4
612.58942	4.0
622.99139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03939	3.1
55.05270	1.1
55.05517	15.3
57.03442	4.8
57.07065	2.9
62.71589	0.9
65.03947	1.6
65.21044	0.7
67.05512	39.4
69.03444	0.8
69.07072	14.3
69.48872	0.8
69.98298	0.8
69.98618	3.8
71.04974	1.8
71.08615	0.9
72.32503	0.9
75.37997	0.7
77.65564	0.7
79.05501	30.8
81.07064	41.3
83.04977	1.5
83.08630	7.3
85.06552	2.1
91.05489	29.2
93.07049	33.5
95.04976	3.4
95.08620	33.3
97.06528	3.4
97.10174	4.5
99.08099	1.1
103.05491	0.9
105.04520	1.1
105.07043	32.4
107.08604	21.0
109.06541	1.3
109.10172	13.0
111.08116	1.3
115.05462	1.8
117.07027	14.0
119.08595	24.6
121.10162	18.3
123.08047	1.2
123.11726	3.8
125.09635	1.7
126.26285	0.8
128.06183	1.0
128.94572	0.8
129.07018	9.8
131.08578	24.4
133.10143	18.6
135.11722	12.1
137.13261	1.8
141.06996	1.8
142.07819	1.6
143.08580	11.1
144.09343	1.3
145.10138	18.0
147.11710	18.4
149.09686	1.1
149.13272	7.8
150.58478	0.8
151.14819	1.2
155.08591	3.9
156.09361	1.3
157.10164	12.0
159.11708	17.2
160.12505	0.9
161.13293	10.6
163.14850	2.5
165.12773	1.3
167.08575	1.3
169.10100	5.6
171.11697	12.5
173.13274	10.1
175.14856	5.6
177.12727	1.7
177.16370	0.8
179.14377	1.5
181.10158	2.3
183.11748	6.6
185.13287	10.0
187.14822	7.4
189.16414	1.9
195.11732	2.4
197.13335	2.9
199.14854	6.8
201.16438	3.4
203.18011	1.4
209.13287	2.5
211.14906	2.8
213.16452	4.3
215.17989	2.8
217.19594	0.9
223.14839	1.4
225.16429	2.2
227.18074	1.3
229.19601	1.1
231.20996	0.9
237.16396	1.3
239.18015	1.2
241.19618	8.3
243.21173	2.0
253.19698	0.9
255.21230	1.1
257.19125	3.7
259.20621	19.2
261.22226	3.6
277.21768	1.2
285.22183	1.0
297.22079	1.0
315.23328	2.0
333.24295	12.7
335.25833	16.5
337.27426	1.8
339.26892	1.3
351.26050	1.0
353.28320	1.8
367.29773	1.1
369.28311	1.4
381.31796	1.6
501.41467	1.3
519.41943	5.9
537.42883	4.0
541.39246	1.2
593.45715	8.6
603.14734	1.0
611.46777	100.0
612.46765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01862	0.9
55.05272	0.8
55.05517	11.3
57.03448	3.0
57.07080	2.6
59.04987	0.6
65.03937	0.7
67.05508	19.3
69.06729	0.8
69.07073	10.0
71.01335	0.8
71.04997	1.0
71.08633	2.0
77.03963	0.5
79.05499	14.7
81.03416	0.5
81.07063	18.8
83.04990	0.9
83.08626	5.2
85.06567	1.3
91.05488	12.2
93.07053	15.2
95.04976	1.5
95.08615	18.3
97.06535	1.7
97.10191	2.8
99.08089	0.8
104.06269	0.5
105.04598	0.7
105.07040	14.5
107.04964	0.5
107.08603	10.3
109.06565	0.6
109.10160	7.8
111.08083	1.0
115.05478	0.7
117.07024	8.3
119.08587	12.6
121.10140	5.9
123.08128	1.3
123.11716	2.2
125.09650	1.4
128.06230	1.5
129.07019	7.5
130.07777	0.8
131.08577	14.6
131.09537	0.9
132.34224	0.5
133.10141	8.2
135.08118	0.5
135.11684	4.2
137.13269	1.2
141.06981	2.3
142.07819	1.8
143.08575	10.2
144.09325	0.5
145.10133	10.9
147.11696	5.0
149.09622	0.5
149.13254	2.3
151.11182	0.6
151.14874	0.6
155.08588	6.3
156.09366	0.9
157.10130	9.5
159.11710	8.4
161.13269	3.1
163.11182	0.5
163.14857	1.0
167.08585	2.3
169.10156	7.5
171.11696	8.1
173.13278	6.4
175.14856	2.2
177.16443	0.7
179.08542	0.7
179.14394	0.7
181.10158	3.0
183.11697	6.3
185.13292	6.1
187.14807	3.2
189.16405	1.8
191.18031	0.7
193.10159	0.7
195.11700	2.7
197.13278	5.1
199.13196	0.8
199.14828	4.8
201.16356	2.6
203.17961	0.9
205.19519	0.7
207.11774	1.4
209.13310	2.2
211.14844	3.9
213.16415	3.6
215.17973	1.7
217.19608	0.6
221.13373	1.2
223.14912	2.0
225.16414	2.6
227.18080	2.9
229.19493	2.4
231.21164	0.7
235.14922	0.8
237.16444	1.3
239.17976	2.2
241.19629	2.1
243.21213	1.5
247.20590	0.6
249.16464	0.6
251.17871	0.9
253.19635	1.1
255.21172	1.1
257.19046	1.0
257.22824	0.7
259.20670	0.7
265.19617	0.6
267.21048	1.5
269.19037	0.6
269.22668	0.7
271.20618	0.7
275.00296	0.5
275.20285	0.9
279.20975	0.6
283.20590	0.7
297.22162	1.0
301.21896	0.5
311.23868	1.0
323.23816	1.1
325.25262	1.0
327.23331	0.7
339.23203	0.7
339.26938	0.8
341.24634	0.6
353.28522	1.8
355.26324	0.8
367.30243	0.9
381.31696	0.7
391.29581	0.5
405.31577	0.6
419.32877	0.7
431.33478	0.8
435.32681	0.5
449.34216	1.1
501.41074	1.3
513.35352	0.7
519.42004	8.2
523.37769	0.7
527.37183	0.6
529.38428	0.6
537.43109	5.2
541.39093	0.9
575.44543	1.7
593.45819	10.2
611.46759	100.0
612.46698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.12644	0.7
55.01866	2.8
55.05507	4.7
57.03426	2.1
57.07069	1.8
57.73092	0.6
61.02924	2.8
65.03931	2.5
65.78352	0.7
67.05508	8.7
68.99784	2.0
69.03080	1.0
69.03435	12.6
69.07074	8.0
71.04977	2.5
71.52531	1.0
73.02920	1.8
79.05503	5.1
81.03418	9.0
81.07061	27.7
83.04967	0.8
83.08620	4.9
85.02911	34.5
85.06548	8.0
87.00838	11.9
91.05486	12.2
93.07062	8.8
95.04971	1.4
95.08611	25.3
95.36495	0.7
97.02904	12.3
97.06538	0.9
97.10175	3.5
99.04469	4.7
99.08099	8.0
105.01870	13.5
105.07029	4.4
107.08601	10.4
109.02892	9.8
109.10162	19.3
111.04476	1.0
111.08100	2.7
111.11774	1.5
113.09634	2.1
115.03896	1.1
117.06945	0.8
119.04948	23.9
119.08558	4.8
121.02900	1.5
121.06493	1.8
121.10152	8.3
122.03648	0.8
123.08124	0.9
123.11710	10.5
125.09642	1.3
127.03926	19.4
127.11175	2.0
131.08601	1.9
133.10150	3.1
135.04416	1.3
135.08066	1.4
135.11707	8.0
137.02339	4.9
137.06029	1.1
137.09645	0.9
137.13277	4.4
139.11134	1.0
143.08565	1.4
145.02812	1.2
145.04964	8.3
145.06342	1.2
145.10147	1.5
147.04416	73.4
147.11679	2.9
148.04732	1.8
149.06006	1.3
149.13268	11.3
151.14833	1.4
153.01854	4.5
153.12749	1.3
157.10121	0.9
159.02927	4.1
159.11682	1.6
161.09650	1.1
161.13272	2.1
162.97177	0.7
163.03905	3.5
163.14851	8.7
165.01854	2.1
165.05478	1.9
165.16374	1.0
167.14307	1.2
171.11656	0.8
175.14806	1.3
177.05513	2.1
177.16382	6.3
178.16670	1.0
181.15887	1.2
183.02798	0.9
189.03983	0.9
189.16472	1.9
191.17950	2.3
195.17462	1.2
197.19096	1.0
200.62744	0.8
201.05528	1.9
203.18036	1.8
205.19525	1.0
207.06584	1.2
207.25932	0.7
209.18967	0.9
213.03877	1.2
217.19571	2.9
219.05008	0.8
219.20874	1.1
223.20551	0.7
229.05011	4.7
231.05005	4.8
231.20869	1.1
235.20531	1.8
247.06169	0.8
247.24324	1.2
249.06119	2.0
257.04474	3.5
265.25296	1.9
273.25778	9.1
274.04703	0.8
279.26898	1.5
285.04013	1.5
287.05527	4.6
291.26837	22.1
302.04117	2.0
303.05002	100.0
304.05295	3.6
306.14243	0.8
309.27917	10.5
315.04935	1.1
315.27026	1.1
317.06546	2.8
327.28943	2.5
375.10999	0.9
399.28992	1.7
479.11765	1.2
521.31085	1.6
539.31952	2.1
567.52173	0.9
611.22217	1.0
611.32050	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40418	3.1
53.03942	5.9
54.13439	3.0
55.01874	6.9
55.05513	14.1
57.03444	3.8
57.07080	6.5
67.05512	20.0
68.99815	3.6
69.03438	22.8
69.07076	28.9
69.68276	16.2
71.04984	4.5
71.08575	2.7
73.02925	4.2
79.05497	16.2
81.03444	17.6
81.07074	79.3
83.08618	12.0
85.02918	55.7
85.03403	2.2
85.06550	29.0
87.00850	19.1
87.70924	3.5
91.05486	9.7
93.07062	32.5
95.04971	3.9
95.08620	67.1
97.02906	18.8
97.10180	10.0
98.20750	3.7
99.04471	9.4
99.08108	25.4
105.01898	15.4
105.07040	9.3
107.08611	33.1
109.02911	16.3
109.10177	35.3
111.08099	9.1
111.11723	8.5
119.04927	4.5
119.08599	7.6
121.10161	27.9
123.11745	21.0
127.03949	32.1
127.11194	3.4
133.10190	8.6
135.11702	13.2
136.07585	3.3
137.06035	3.1
137.13271	15.7
139.11156	7.5
141.60942	2.9
145.04965	9.8
145.10081	5.2
147.03404	3.1
147.04407	18.2
147.11714	5.3
149.13290	31.3
159.02853	9.0
161.13298	5.3
163.14812	10.8
164.07066	5.9
177.16447	23.5
195.17459	29.7
207.06462	4.2
213.18535	100.0
217.19514	3.3
231.04980	7.6
235.20645	3.6
253.21541	3.2
273.25775	4.0
279.26685	6.1
287.05603	3.8
291.26859	22.7
297.28073	14.8
302.04221	15.4
303.04999	25.1
309.27954	40.6
317.06516	24.5
327.28964	45.7
363.09686	8.1
393.36356	3.3
479.11984	14.9
504.82428	3.6
521.30847	4.1
539.31458	3.4
594.34839	3.5
611.36035	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	611.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
54.88412	5.5
55.05505	13.9
65.94421	6.1
67.05508	30.7
67.48771	5.3
69.03438	17.8
69.07072	27.6
69.90401	28.0
70.06592	7.1
71.04993	8.5
73.02890	7.2
79.05486	25.0
81.03417	14.0
81.07056	81.5
83.04988	7.6
83.08609	13.1
85.02912	34.4
85.06512	10.5
91.05479	24.8
93.07071	32.8
95.04989	8.3
95.08619	73.3
97.02912	7.9
97.06528	19.4
97.10188	8.0
103.05498	6.2
105.07023	23.7
107.04933	9.1
107.08593	42.2
109.02857	15.5
109.06526	7.6
109.10146	49.1
111.04412	7.7
111.11696	7.9
117.07051	5.5
119.04904	11.7
119.08587	18.5
121.02863	6.2
121.10189	27.0
123.04424	8.7
123.11711	18.5
125.09657	10.6
125.28008	6.0
127.03919	17.6
133.06467	7.2
133.10149	12.1
135.11707	16.5
137.06001	15.6
137.09677	6.8
137.13284	9.0
139.11186	6.5
145.02864	13.5
145.10085	10.5
147.04414	47.7
147.11678	16.6
148.04776	13.8
149.06041	7.3
149.13269	29.4
151.07574	16.2
151.14973	7.7
157.10063	7.7
159.11699	12.7
161.13335	8.8
163.03824	6.9
163.14798	12.0
167.07089	22.0
173.13284	8.2
175.03912	9.4
177.05479	29.7
177.16446	11.7
178.05806	11.1
191.06921	6.6
207.06540	8.7
207.37852	5.8
213.75180	5.9
259.24304	9.3
264.50760	5.9
271.24222	15.0
273.06625	6.5
277.25354	13.2
285.03586	6.3
286.04684	43.1
287.05350	6.6
289.25259	35.9
293.08582	6.6
301.07126	100.0
302.04279	14.3
302.07498	15.2
303.04944	21.7
303.08014	7.3
317.06567	37.0
329.54294	5.6
331.04703	6.6
332.04871	6.2
351.29211	6.5
362.09744	8.1
363.09641	15.8
369.29868	8.5
381.30142	39.8
388.12650	7.1
545.45459	6.8
557.33496	7.0
611.26685	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	611.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01869	4.4
55.05516	14.8
57.03437	5.3
57.07069	9.2
59.05002	2.2
61.02926	3.9
65.03965	2.6
67.05511	26.5
69.03439	22.4
69.07074	42.0
70.06589	1.8
71.01367	1.4
71.04982	6.0
71.08628	3.6
71.52599	1.5
72.96183	1.6
73.02921	3.2
79.05502	18.3
81.03418	13.9
81.07063	100.0
83.04970	1.9
83.08627	18.9
85.02913	37.1
85.06085	2.3
85.06550	29.9
86.03207	1.6
87.00838	12.7
87.04485	1.8
91.05496	12.2
91.52220	1.6
92.14603	1.4
93.07053	32.1
95.04430	1.4
95.04990	5.3
95.08615	73.6
96.08913	1.9
97.02901	15.3
97.06516	8.6
97.10188	9.4
97.73632	1.4
99.04456	6.0
99.08108	17.5
103.04004	2.1
103.05447	2.6
105.01875	6.4
105.07047	15.0
107.04987	8.5
107.08608	34.8
109.02911	8.3
109.06528	2.4
109.10164	48.6
111.04446	1.6
111.08096	11.7
111.11730	10.5
113.09664	3.6
117.01792	1.4
117.03361	2.3
117.05506	1.5
117.06987	1.6
119.04956	8.3
119.08604	9.1
121.06552	2.6
121.10149	24.5
123.04454	1.4
123.08065	1.6
123.11724	34.3
124.07531	1.5
125.09698	3.9
125.13194	1.8
127.03931	21.9
127.11170	4.2
131.04919	2.0
131.08586	2.8
133.06500	2.8
133.10173	7.2
135.11694	16.9
137.06003	3.0
137.13260	17.2
137.81277	1.5
139.11201	4.4
145.02910	4.9
145.04985	5.9
145.06424	1.6
147.04413	16.0
147.11621	6.9
149.05949	2.1
149.13266	29.9
151.07547	3.2
151.11142	1.7
151.14806	4.9
152.07140	1.6
153.12740	8.1
159.02910	4.0
159.08078	2.3
159.11705	3.0
161.05991	2.8
161.09554	2.4
161.13246	2.9
163.03882	1.7
163.14789	11.6
164.07104	2.2
165.12830	1.9
165.16397	2.5
167.07114	7.9
167.08412	1.8
167.14320	4.8
173.06020	2.2
175.03906	2.4
175.14842	2.5
177.05493	11.5
177.16446	7.8
179.18051	2.0
181.04956	2.8
189.09157	2.9
189.16367	1.9
191.07051	2.4
191.18016	7.2
193.08655	5.3
195.17436	2.2
203.17966	1.6
205.19499	4.3
207.06537	7.1
209.18959	9.3
213.18512	3.3
214.16867	1.6
217.19514	4.6
219.10201	4.3
219.17261	1.5
220.10643	3.3
223.20589	4.2
227.20045	18.3
231.05029	4.4
231.21088	1.6
231.93176	1.4
232.09195	1.6
235.20607	3.0
247.24304	2.2
249.11270	1.8
251.10774	1.5
251.24030	1.6
254.05733	5.8
255.06117	5.2
256.06335	3.4
260.89371	1.4
261.25800	2.5
273.25854	9.1
279.26862	4.5
282.05237	5.5
283.05652	4.1
284.05862	3.9
286.04620	5.2
291.26840	38.3
297.27823	13.7
300.06271	2.9
301.07025	11.7
302.04257	2.1
302.07254	2.2
303.04947	15.3
309.27908	56.9
315.08606	17.8
316.09064	20.7
317.06415	4.1
317.09488	18.0
327.28967	60.6
345.30023	4.5
383.14911	2.2
439.17630	3.1
477.14072	4.0
478.14359	5.9
479.14490	25.3
492.89026	1.6
610.55560	1.8
611.23779	4.9
611.30853	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	611.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11880	0.7
53.03949	2.3
55.01878	1.1
55.05513	6.3
57.03427	2.1
57.07070	3.6
59.04999	0.7
61.02926	1.3
61.77731	0.7
65.03933	1.7
67.05505	9.7
68.99802	1.2
69.03434	6.2
69.07072	16.5
70.54477	1.3
70.54879	1.8
71.04993	2.4
71.08639	1.1
73.02943	1.1
79.05490	7.6
81.03425	5.0
81.07061	41.3
83.04912	0.9
83.08623	5.5
85.02903	12.0
85.06549	13.7
87.00837	4.3
91.05483	15.6
93.07050	13.2
95.05009	1.3
95.08608	33.3
97.02895	6.1
97.06548	1.6
97.10178	4.0
99.04443	2.6
99.08104	12.6
105.01814	3.8
105.07043	5.0
107.04948	1.3
107.08596	16.1
109.02909	3.4
109.06506	0.9
109.10162	20.3
111.00820	1.7
111.08071	4.1
111.11730	4.6
113.09691	2.3
117.03363	1.0
117.05535	1.3
117.06995	1.1
119.04946	23.2
119.08588	4.0
121.02846	1.6
121.06510	1.0
121.10148	15.7
123.08095	0.8
123.11720	11.9
124.71217	0.8
125.09628	1.8
127.03928	11.9
127.11189	1.7
133.10126	2.8
135.04439	1.5
135.11693	7.5
136.07613	1.3
137.02341	3.7
137.05998	2.3
137.13254	8.3
139.11217	2.9
145.02841	2.0
145.04916	2.6
147.04419	82.3
147.11664	2.7
148.04805	1.7
149.05949	1.1
149.13274	15.1
151.14774	1.3
153.01845	5.1
153.12775	1.0
159.02924	1.3
159.11650	0.9
161.13266	2.2
163.03923	4.7
163.07524	1.4
163.11133	0.9
163.14859	6.1
164.07048	1.0
165.01816	2.6
165.05504	1.1
165.16417	1.2
167.07121	2.0
167.14310	0.9
173.05925	0.8
173.13300	0.8
175.03793	1.1
175.14792	1.1
177.05499	3.2
177.16396	9.1
179.17751	0.7
181.04994	1.2
183.02890	1.0
189.16351	1.0
190.98918	0.9
191.07021	1.8
191.18004	1.5
195.17459	10.0
201.05511	2.0
207.06619	0.9
209.19034	1.3
213.18507	35.0
217.19464	1.1
221.18954	0.7
229.04903	6.1
231.04974	1.7
235.20615	1.2
247.05885	1.3
249.05908	0.9
253.21701	0.9
257.04504	2.9
273.25790	2.9
274.05078	1.4
279.26862	3.0
285.04120	3.9
286.04703	10.4
287.05496	9.2
288.02563	1.0
290.03256	1.0
291.26822	11.9
297.27914	6.1
301.07080	16.4
303.05008	100.0
304.05350	4.6
305.05560	0.9
309.09537	1.1
309.24298	1.0
309.27884	18.4
313.03400	3.1
314.03690	3.8
315.04169	2.6
317.06442	2.0
327.28970	16.4
328.05521	1.1
330.06345	1.1
331.04562	10.1
332.04807	9.6
333.04999	12.3
346.06897	2.1
347.07172	2.6
348.07407	3.4
361.05542	0.7
361.09186	20.0
362.09534	19.1
363.09766	34.7
399.28839	1.0
438.67947	0.8
611.23212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
51.84350	0.2
57.03444	3.3
61.02657	0.3
61.02935	3.9
69.03435	3.2
71.01350	0.6
71.04997	0.2
71.24715	0.4
73.02923	4.9
81.03408	0.7
81.07038	0.3
84.24303	0.2
85.02912	5.4
89.34020	0.2
91.03965	2.3
92.02650	0.6
93.03400	0.9
97.02296	0.3
97.02900	4.7
99.04485	0.5
102.79556	0.2
109.02886	0.7
111.00829	0.3
115.03939	2.3
121.02861	0.8
122.03660	0.3
126.03163	0.3
127.03927	1.8
133.04964	0.5
133.06473	0.6
137.02330	0.3
137.05988	3.1
139.03918	0.8
145.04988	1.2
147.04454	0.3
151.03918	0.9
151.07510	0.3
153.01836	5.9
163.06033	0.9
163.07587	0.7
165.01843	0.5
177.77547	0.2
201.05508	0.6
203.03432	0.4
217.04970	0.5
218.05795	0.4
228.04268	1.1
229.04993	2.7
233.04379	0.2
241.07088	0.2
245.04430	0.9
246.05180	1.4
256.03680	0.3
257.04434	2.1
260.03281	0.4
261.07654	0.2
273.03970	1.1
274.04727	3.8
284.03152	0.4
285.03973	3.7
286.04736	0.9
287.05606	1.0
290.20099	0.2
301.03784	0.5
301.07037	1.9
302.04224	13.4
303.05035	1.2
315.05014	0.2
317.06573	100.0
318.06985	0.6
327.15909	0.5
329.06454	1.0
341.06860	0.3
355.08075	0.2
359.07635	0.7
383.07574	0.8
461.10797	0.4
479.11923	0.7
573.13928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Isorhamnetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
52.14808	0.2
57.03449	1.5
59.04976	0.3
61.02916	0.7
61.11320	0.2
63.60722	0.2
69.03086	0.3
69.03436	4.2
71.03225	0.4
71.03589	0.3
73.02901	0.2
79.88779	0.2
81.03387	0.2
85.02916	3.3
87.04475	2.5
91.03933	0.5
92.02620	0.5
93.03398	0.5
97.02899	3.3
107.04986	0.2
109.02854	0.2
115.03942	3.0
121.02881	0.5
127.03905	0.5
133.04984	2.5
137.02324	0.7
137.06009	0.5
139.03838	0.3
147.04396	0.5
151.03940	0.5
153.01845	2.9
163.07494	0.2
164.28189	0.2
165.01869	0.3
177.05414	0.4
186.38582	0.2
195.31522	0.2
200.04730	0.4
201.05377	0.3
208.20197	0.2
217.04962	0.6
218.05826	0.4
228.04100	1.1
229.04959	1.2
245.04501	0.7
246.05284	0.7
256.03708	0.4
257.04419	1.0
271.06018	0.4
273.03882	1.0
274.04752	3.5
285.03928	1.8
286.04727	0.4
287.05319	0.3
301.03470	3.2
301.06924	0.4
302.04239	25.9
303.04858	0.9
317.06580	100.0
318.07001	0.8
329.06540	0.5
355.07977	0.2
359.07706	0.9
449.10535	0.5
461.10751	0.3
479.11890	10.3
611.29370	0.4
633.83832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2867
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
57.18205	0.2
67.05501	0.3
70.06601	0.3
71.52057	0.2
71.52466	0.3
79.05501	0.3
81.07075	0.3
91.05484	0.2
93.07000	0.2
95.08584	0.2
105.07052	0.4
117.68687	0.2
119.50177	0.3
131.08604	0.2
160.05199	0.4
161.05986	0.4
204.25391	0.2
230.05798	0.6
249.10196	0.2
259.09665	1.3
288.39172	0.2
317.06598	0.4
356.76758	0.2
363.16486	0.3
374.18561	0.3
377.17719	0.4
379.19324	0.5
390.18655	0.4
391.19489	1.1
392.20123	0.8
393.20761	0.9
403.19299	0.5
404.20331	0.5
405.17065	1.4
405.21747	1.4
406.17548	0.6
407.18500	0.5
407.22757	3.3
409.20370	0.4
417.20901	0.5
418.18118	0.9
419.17984	2.6
419.23227	0.8
420.19571	1.1
421.20496	2.1
422.21118	0.9
423.21774	1.5
431.18619	0.6
432.19431	0.9
433.20163	7.9
434.21341	2.4
435.17926	2.7
435.22125	3.1
436.19073	0.9
437.23514	3.8
438.24127	0.4
446.20779	1.4
447.22229	2.7
448.22797	0.8
449.19421	4.7
450.20337	2.0
451.21259	2.5
461.23386	0.7
463.20981	2.9
464.22055	6.9
465.22845	6.7
477.23334	2.2
478.23651	0.9
481.22440	0.3
491.24597	1.0
492.25555	0.3
493.21991	0.6
496.24963	0.8
507.24081	0.3
509.21344	2.0
510.26108	0.4
519.24402	0.5
520.24396	0.3
521.25629	5.8
523.23694	1.0
533.25800	0.5
536.23987	0.4
549.24982	0.3
551.26593	25.8
552.26837	0.6
574.04620	0.3
579.26019	0.6
581.27673	1.7
582.24377	0.4
583.29156	0.5
593.27728	0.6
611.28693	100.0
612.28992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Isorhamnetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
52.37191	0.2
57.03415	0.3
59.94877	0.2
61.33495	0.2
63.75518	0.2
68.49665	0.2
69.03443	1.4
69.29776	1.7
71.04966	0.3
75.21891	0.2
77.77981	0.2
84.74472	0.2
85.02928	1.3
87.04430	0.9
97.02846	0.9
115.03926	0.9
121.02789	0.2
124.34776	0.2
127.00256	0.2
133.04936	0.8
134.03635	0.8
140.01027	0.5
141.58527	0.2
167.99214	0.3
168.00566	5.1
169.01318	1.1
183.02895	0.3
185.14935	0.2
186.01595	1.7
211.66124	0.2
218.05682	0.5
228.04185	0.7
229.05006	0.5
245.04475	1.2
246.05272	1.4
256.03690	0.6
257.04419	0.6
258.35345	0.2
271.06064	0.5
273.03909	0.5
274.04700	0.7
284.03183	0.8
285.04004	0.7
287.05481	0.8
301.03470	2.5
302.04233	41.5
303.04980	4.1
317.06580	100.0
318.06918	0.8
411.21268	0.2
479.11859	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03947	0.2
55.01886	0.2
55.05489	0.2
57.03442	2.0
61.02927	1.7
63.43884	0.2
65.03961	0.2
67.89303	0.2
68.99796	0.5
69.03430	0.4
69.28950	1.4
71.05000	9.9
73.02906	0.7
75.04472	0.4
82.82413	0.2
83.04975	0.7
85.02914	13.2
91.03965	1.1
93.03429	0.2
95.04961	0.2
97.02915	1.0
99.04453	0.3
109.02884	0.7
111.00800	0.6
111.04425	0.4
121.02900	1.0
123.04472	0.2
127.03928	0.7
129.05502	3.4
135.25134	0.2
137.02348	2.2
145.04965	0.3
147.06503	1.3
149.02351	0.2
153.01837	2.8
155.04863	0.2
161.05908	0.2
163.03905	0.4
165.01813	1.8
173.06024	0.3
183.02904	0.6
183.04424	0.3
191.03426	0.3
201.05481	0.9
205.05014	0.2
219.06606	0.4
229.04988	3.4
247.06036	0.5
257.04483	2.3
274.04764	0.5
275.97421	0.2
285.03967	1.2
287.05637	0.5
301.91162	0.2
302.04251	0.8
303.05020	100.0
304.05408	0.9
315.04791	0.2
317.06613	2.6
334.81348	0.2
400.96030	0.2
421.16013	0.2
449.10696	0.4
465.10257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1398
Annotation	56343-26-1
Peak:m/z	Relative Intensity
51.02366	0.2
53.03947	0.6
55.01870	0.4
55.05502	0.5
57.03430	0.5
57.07096	0.2
61.02928	0.7
65.03937	1.4
67.05507	0.9
68.99799	0.5
69.03435	1.7
69.07081	0.8
70.39329	0.1
70.62889	0.4
71.04996	0.4
72.08141	0.1
73.02934	0.2
74.18768	0.1
79.05495	0.6
81.03419	2.0
81.07065	2.3
82.06551	0.2
83.08630	0.4
85.02911	12.0
85.06545	0.4
87.00838	0.3
89.06017	0.2
91.05482	9.9
93.03435	0.3
93.07039	0.9
95.04993	0.5
95.08614	2.0
97.02898	11.2
97.06551	0.2
97.10161	0.3
99.04462	0.4
99.08099	0.4
105.01871	0.5
105.03400	0.6
105.07043	0.6
107.04938	0.2
107.08568	1.0
109.02880	2.4
109.06529	0.2
109.10173	1.6
111.00799	1.0
111.08099	0.2
111.11739	0.2
113.09653	0.2
117.03406	0.2
117.07059	0.2
119.04948	20.7
119.08602	0.5
121.02850	1.0
121.10152	0.8
123.04447	0.4
123.11716	0.6
124.07619	0.1
127.03923	17.3
131.04898	0.2
133.10159	0.2
135.04456	0.3
135.08255	0.1
135.11691	0.7
137.02345	2.8
137.03397	0.2
137.05965	0.2
137.13268	0.3
145.02953	0.4
145.04942	0.7
145.06537	0.2
145.10161	0.2
147.04417	73.4
147.11720	0.3
148.04747	0.5
149.02313	0.3
149.13251	0.9
153.01831	3.6
155.04930	0.2
159.02878	0.3
159.04210	0.2
159.11667	0.2
161.05994	0.4
163.03951	0.7
163.14816	0.5
165.01843	2.0
165.05479	2.8
166.02611	0.3
173.06024	0.4
175.03833	0.2
177.03555	0.1
177.05513	0.5
177.16412	0.4
179.03474	0.2
183.02916	0.8
183.04355	0.3
187.03931	0.5
191.17915	0.2
195.02849	0.2
201.05490	1.5
205.05029	0.2
207.10764	0.1
219.02986	0.2
219.06528	0.3
223.07405	0.1
228.04268	0.2
229.04971	4.3
231.05029	0.2
235.20720	0.2
247.06052	0.7
257.04431	2.5
265.25226	0.2
272.27747	0.1
274.04758	0.9
275.05487	0.2
285.04041	1.2
287.05539	0.3
291.08539	0.3
291.26849	0.9
302.04141	0.6
303.05002	100.0
304.05389	0.5
309.09659	1.7
309.27933	1.2
315.04980	0.9
317.06659	1.0
327.28745	0.8
343.04498	0.2
375.09268	1.2
381.06030	0.3
411.07138	0.4
429.08112	0.2
576.66632	0.1
593.12659	0.2
611.14355	0.3
611.24084	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1398
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03937	0.5
53.84196	0.2
55.05496	0.2
57.03436	0.6
61.02925	0.6
65.03938	1.1
67.05500	0.6
68.99799	0.6
69.03433	1.6
69.07081	0.4
71.05008	0.4
79.05490	0.2
81.03425	1.9
81.06663	0.2
81.07047	1.1
83.08632	0.3
85.02911	10.4
85.06532	0.3
91.05486	9.3
93.03411	0.4
93.07047	0.6
95.05000	0.2
95.08604	0.6
97.02897	10.8
99.04455	0.3
105.03392	0.7
105.07042	0.2
107.08604	0.4
109.02882	2.7
109.10168	0.6
111.00777	1.0
111.04463	0.2
119.04950	19.8
121.02850	0.6
121.10175	0.4
123.04430	0.4
123.11718	0.2
127.03924	14.7
135.04443	0.5
137.02345	3.8
137.05942	0.3
145.02876	0.4
145.04982	0.9
145.06511	0.2
147.04417	72.7
148.04739	0.3
149.02332	0.4
149.13275	0.3
153.01836	3.8
155.04897	0.2
159.02873	0.2
159.04219	0.2
161.05988	0.2
163.03914	1.3
165.01852	1.9
165.05493	2.8
166.02628	0.3
173.05980	0.5
173.26381	0.2
177.05580	0.4
180.25722	0.2
183.02931	0.7
187.03954	0.2
191.03424	0.2
195.02998	0.2
201.05492	1.5
219.06532	0.3
220.79893	0.3
228.04297	0.2
229.02791	0.1
229.04967	3.9
232.03931	0.3
247.06013	0.6
257.04437	2.4
274.04800	0.7
285.03903	1.4
287.05487	0.6
291.26865	0.4
296.42252	0.2
303.04999	100.0
304.05341	0.4
309.09644	1.8
309.27707	0.5
315.04999	0.8
317.06528	0.8
330.96582	0.2
375.09189	1.0
381.06171	0.4
399.21365	0.2
411.07123	0.4
450.39029	0.2
454.05603	0.2
524.37042	0.2
611.13684	0.5
611.23987	1.8
611.33215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01867	1.2
55.05516	9.5
57.03442	2.3
57.07083	2.6
65.03941	1.0
67.05512	18.3
69.07078	9.4
70.07852	1.9
71.04987	0.9
71.08633	1.3
72.77117	0.4
79.05501	12.7
81.07066	21.7
83.04999	1.0
83.08620	5.0
85.06534	1.4
85.10199	0.9
87.04481	0.5
89.06033	0.8
90.01396	0.4
91.05484	11.4
93.04926	0.4
93.07054	13.7
95.04990	0.7
95.08618	16.3
97.06543	1.2
97.10167	2.8
99.08099	0.5
105.07040	11.6
107.08611	9.2
107.74902	0.4
109.06492	0.9
109.10162	6.5
111.08092	0.9
115.05460	1.0
115.94026	0.4
117.07030	6.4
119.08595	11.0
119.09464	0.6
121.10152	6.4
123.08055	0.7
123.11722	1.8
123.38425	0.4
125.09647	0.8
125.42231	0.4
128.06259	2.0
129.07013	8.2
130.07736	0.8
131.08588	12.7
133.08611	0.8
133.10141	8.9
134.76973	0.4
135.08171	0.4
135.11714	4.4
135.29474	0.4
137.13290	0.8
139.11148	0.7
141.07021	3.7
142.07750	2.7
143.08575	12.3
144.09415	0.6
145.10143	10.3
147.11713	5.1
149.13300	1.8
153.07062	0.7
154.07773	1.3
155.08568	9.4
156.09343	1.5
157.10143	12.8
159.11714	9.3
161.13246	2.4
163.14980	0.6
165.07071	1.1
166.07841	1.0
167.08569	4.8
168.09348	1.7
169.10152	14.0
170.10895	1.0
171.11714	10.2
173.13278	5.5
175.14876	1.4
178.07880	0.5
179.08606	1.7
180.09361	0.9
181.10120	7.0
182.10933	1.1
183.11717	11.9
185.13269	7.9
187.14830	3.5
189.16454	0.5
193.10158	2.5
194.10950	0.6
195.11716	8.2
196.12508	1.2
197.13278	9.7
199.14822	4.1
201.16472	1.9
205.10199	0.8
207.11754	2.7
208.12593	0.6
209.13293	6.8
210.14186	0.5
211.14853	6.4
213.16431	3.5
215.17990	1.1
219.11751	1.1
221.13258	3.0
223.14828	4.8
225.16467	5.2
227.18098	2.6
229.19423	0.6
233.13269	1.3
235.14838	2.0
237.16438	3.7
239.17986	2.6
241.19730	0.8
247.14941	0.6
249.16481	1.7
251.17963	1.7
253.19577	1.8
255.17207	0.8
255.21194	0.7
257.19049	0.9
259.20749	0.6
261.13663	0.5
261.16373	0.7
263.18027	1.3
265.19611	1.2
267.21262	1.3
269.18900	0.6
275.20197	0.8
277.19678	0.8
279.21204	1.0
283.20529	0.8
285.22293	0.8
291.21033	0.7
293.22845	0.6
295.20474	0.8
296.86856	0.5
297.22214	0.7
299.20062	0.5
307.20291	0.6
309.22202	1.2
309.58685	0.4
311.23749	1.0
313.21597	1.0
321.22031	1.0
323.23700	1.0
325.21683	0.7
331.22992	0.5
335.20215	0.6
335.23691	1.0
337.25327	1.3
339.23019	0.6
339.26959	0.9
344.61319	0.5
349.25372	0.7
351.23315	0.5
351.26807	2.1
353.24884	0.8
355.26328	0.9
363.27054	1.1
365.28448	1.7
369.27924	0.8
377.28674	1.1
379.30392	0.5
391.30106	1.1
393.31860	0.8
395.29214	0.6
405.31836	0.8
407.29047	0.6
409.30972	0.6
421.30634	1.0
423.32419	0.6
447.32703	1.3
449.34256	1.2
461.34149	0.7
499.39423	1.5
501.36053	0.7
517.40533	11.7
521.36462	0.6
525.35730	1.0
535.41547	5.8
539.37347	1.4
553.41644	0.7
555.42108	0.9
573.42963	1.5
591.44208	12.9
609.26721	6.6
609.45190	100.0
610.45612	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Isorhamnetin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
54.26402	0.3
57.03437	1.4
59.38619	0.3
61.02892	1.1
68.99786	0.3
69.03431	1.6
70.90536	0.6
71.04994	6.8
73.02893	0.5
74.31874	0.3
83.04956	0.6
85.02911	9.7
87.04434	0.9
91.03919	0.7
93.55373	0.4
97.02917	1.8
111.00793	0.5
111.04447	0.6
115.03941	1.2
121.02836	0.5
123.27658	0.2
127.03874	0.9
129.05492	2.7
133.04884	0.9
134.03648	0.5
135.04443	0.6
137.02338	1.4
140.01035	0.3
145.04944	0.4
147.06470	0.8
153.01854	2.2
163.03889	0.5
165.01874	1.3
166.02650	0.3
168.00555	5.1
169.01273	0.9
183.02885	0.6
186.01598	1.8
201.05444	0.8
218.05725	0.4
228.04111	0.8
229.05006	2.5
245.04416	1.2
246.05217	1.1
247.05902	0.5
256.03693	0.7
257.04434	1.7
271.06073	0.5
273.03906	0.5
274.04688	1.1
284.03238	0.3
285.03943	1.3
288.97150	0.3
299.05466	0.4
301.03384	2.7
302.04224	38.5
303.05002	70.5
304.05121	0.4
304.73196	0.3
315.04858	0.5
317.06570	100.0
318.06924	0.8
345.06107	0.6
465.10400	0.9
479.11752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15337	0.5
53.03943	1.3
55.01865	1.3
55.05517	10.5
57.03438	2.9
57.07071	2.0
59.04997	0.6
63.69479	0.5
65.03931	1.5
67.05512	22.6
69.03410	0.5
69.06728	0.8
69.07072	9.9
69.70918	3.1
71.03864	0.5
71.04987	0.6
71.08633	0.6
79.05504	15.9
81.06584	1.1
81.07066	20.6
82.30480	0.4
83.04973	1.1
83.08631	5.9
85.06577	1.2
91.05485	14.6
93.07053	17.1
95.04958	0.7
95.08615	18.6
97.06530	1.7
97.10174	3.0
99.08114	0.5
100.82381	0.5
105.04524	0.5
105.07044	15.3
107.04949	1.2
107.08605	11.6
109.06569	1.0
109.10169	7.8
111.08081	0.8
115.05492	1.1
117.07017	8.0
119.08592	12.7
121.10148	8.1
123.08092	1.3
123.11715	2.1
125.09631	0.8
125.95845	0.5
128.06239	1.8
129.07022	7.0
130.07765	0.6
131.08580	11.8
133.10143	9.3
135.08145	0.5
135.11696	4.2
137.13223	0.6
141.07005	4.1
142.07796	2.0
143.08588	10.8
145.10138	12.2
147.11705	6.4
149.09619	1.4
149.13251	2.6
153.07019	0.8
155.08572	8.1
156.09343	0.9
157.10149	10.3
157.11327	0.8
158.10957	0.8
159.11699	8.4
161.03862	0.6
161.13216	3.6
163.11180	0.9
163.14792	1.0
165.06969	0.9
166.07896	0.7
167.08560	4.3
168.09450	0.8
169.10138	10.2
171.11693	9.2
173.13286	5.5
175.14786	1.8
179.08655	1.5
181.10124	5.3
182.10907	1.1
183.11716	11.0
185.13278	6.2
187.14896	3.9
189.16454	0.9
193.10213	2.2
195.11710	6.9
196.12491	0.7
197.13269	8.8
199.14873	5.0
201.16403	1.5
205.10210	0.7
207.11697	2.4
208.12614	0.7
209.13261	5.9
211.14882	5.8
213.16399	2.2
215.17920	1.1
219.11861	0.8
221.13277	2.2
223.14851	3.8
224.15738	0.5
225.16354	3.7
227.18034	1.6
229.19406	0.9
235.14828	1.5
237.16270	2.7
239.18027	2.3
241.19746	1.0
247.14874	0.5
249.16415	1.0
251.18047	2.5
253.19681	0.8
255.21143	1.1
257.19080	1.8
259.20645	0.9
263.18060	1.1
267.21283	0.7
275.20023	3.4
277.19510	0.9
283.20700	0.9
291.21161	0.6
297.22339	0.7
305.22598	0.7
306.05212	0.6
309.21924	0.6
321.22168	1.6
323.23770	1.8
325.25293	1.1
335.26099	0.7
337.25339	1.6
339.26974	1.0
341.24854	0.6
342.59076	0.5
351.26907	1.9
353.24826	1.0
355.26318	0.6
363.26776	0.9
365.28586	1.5
367.26062	0.7
369.27936	0.6
383.29272	0.5
391.19370	1.1
391.29977	0.6
405.17010	0.8
405.21796	0.5
405.31641	1.0
407.22818	1.1
415.30173	0.6
419.18604	1.5
420.19116	0.8
425.30600	0.7
433.20712	1.4
435.21802	2.3
447.17581	0.8
447.32587	1.6
461.20023	1.6
461.33478	0.7
462.20474	1.9
463.21399	1.2
475.21222	1.2
485.23245	0.8
489.22626	0.9
499.39789	1.1
501.35794	1.1
515.38135	0.8
517.40417	8.6
521.25653	2.1
521.36292	0.9
531.23767	1.0
535.41571	4.4
539.37634	1.6
541.38885	0.8
549.25104	8.7
550.25812	0.9
573.42950	0.9
591.26239	2.4
591.44165	9.4
609.27557	27.1
609.45154	100.0
610.27386	1.5
610.45538	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80380	1.4
53.03938	2.2
55.01885	2.5
55.05505	6.6
57.03429	4.2
57.07084	2.2
59.04992	2.1
61.02928	3.1
64.44810	1.4
67.05513	10.7
69.03434	17.2
69.07080	11.6
70.80315	3.7
71.05009	1.9
71.99642	1.5
73.02914	3.6
73.38596	1.4
79.05492	5.9
81.03421	8.9
81.06593	2.3
81.07069	37.2
83.04985	2.1
83.08622	5.9
85.02923	24.8
85.06541	6.1
87.00819	4.6
87.04453	1.4
90.04711	1.4
91.05502	7.8
93.07043	10.8
95.04965	4.2
95.08615	28.2
97.02894	12.1
97.10165	4.1
99.04464	4.6
99.08089	5.4
105.01873	5.9
105.07050	10.0
107.08621	12.8
109.02884	6.0
109.10170	14.8
111.08134	1.5
111.11755	1.7
117.07034	2.3
119.04955	2.7
119.08590	6.3
121.00687	1.5
121.10169	12.9
123.11699	6.2
124.03957	1.5
125.09608	2.3
127.03943	11.0
131.08582	1.8
133.10129	6.5
135.08118	1.5
135.11725	8.6
137.02351	1.8
137.06009	2.9
137.09612	2.1
137.13252	3.4
139.11191	2.8
145.02812	2.3
145.04988	3.7
145.10168	3.3
147.04424	15.0
147.11702	8.4
149.13284	8.9
151.07542	3.4
159.02881	2.9
159.11705	4.8
161.13287	4.9
163.14841	2.2
165.12753	2.4
167.76279	1.5
169.06470	1.7
175.07602	4.1
175.14856	2.9
176.07936	2.2
177.05443	5.4
177.16373	6.8
179.14308	2.1
187.14772	2.4
189.16510	1.6
195.17456	6.9
208.42484	1.5
213.18500	13.5
225.05342	1.6
226.06224	5.6
233.03104	1.7
242.05531	1.6
254.05757	20.7
271.06082	10.9
271.24341	4.0
277.25220	3.4
282.05270	22.5
285.07605	12.7
286.04739	11.4
289.25284	11.5
295.26340	6.7
300.06305	13.2
301.07098	24.0
307.26328	13.8
313.07101	3.4
315.08655	100.0
325.27374	5.8
343.28342	2.3
357.09763	5.8
361.09210	4.3
477.14011	60.1
585.99036	1.7
591.46198	1.8
609.32886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03951	10.9
55.01878	6.2
55.05513	20.4
57.03443	8.4
57.07077	2.2
60.82042	1.0
63.41043	1.0
64.82110	1.1
65.03954	5.0
67.05509	67.6
69.03417	2.6
69.07073	29.4
69.29590	1.7
69.29984	7.5
71.05000	2.9
71.08636	1.4
77.03918	1.8
79.05498	66.6
81.03434	6.7
81.07060	71.5
83.04977	8.4
83.08621	7.8
85.06535	3.0
91.05486	74.4
93.07050	66.0
95.01336	7.1
95.04964	11.2
95.08614	46.9
97.06529	12.5
97.10178	3.7
99.04457	2.5
99.08094	2.3
103.05470	2.2
105.04522	3.3
105.07039	66.8
107.04970	14.8
107.08599	31.8
107.09311	2.0
109.06521	8.2
109.10152	12.5
111.08108	2.6
117.07034	21.1
119.08587	40.2
121.06537	3.1
121.10156	21.1
123.04417	1.3
123.08096	3.7
123.11723	2.4
125.09687	1.7
129.07027	4.7
130.07857	1.3
131.08578	26.4
133.10139	39.4
135.08078	5.0
135.11691	15.0
137.09601	3.4
139.07500	1.4
141.07014	1.9
143.08588	4.1
145.06516	1.2
145.10141	19.5
147.08026	1.5
147.11700	16.6
149.09654	5.8
149.13284	5.5
151.11197	1.9
155.08621	1.4
157.10175	3.9
159.11694	13.1
161.09691	1.3
161.12125	1.1
161.13257	6.0
163.11252	2.7
165.12759	1.1
167.10742	1.0
169.10098	1.4
171.11720	3.9
173.13272	5.6
175.14812	1.1
177.12798	3.2
179.14337	12.3
183.11748	1.9
185.13344	2.7
187.11134	2.0
187.14874	1.3
197.13301	2.8
201.16412	4.4
203.14433	2.1
211.14937	1.3
214.87114	1.0
217.15848	1.1
219.17453	80.3
239.18037	2.9
247.20549	2.0
257.18942	8.2
261.22250	1.6
275.20087	79.4
293.21124	7.1
298.32031	1.2
335.25897	2.6
349.23837	4.5
609.28296	5.1
609.45172	100.0
610.45361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05482	0.3
57.03408	0.2
67.05511	0.9
69.07021	0.3
73.50906	0.2
79.05492	1.2
81.07058	1.1
83.08579	0.3
86.51565	0.2
91.05486	0.9
93.07067	0.9
95.04945	0.2
95.08562	0.7
98.20708	0.4
105.06983	0.7
107.08542	0.7
109.10114	0.3
117.06977	0.3
119.08515	0.6
121.10114	0.4
127.06317	0.2
129.07048	0.2
131.08510	0.6
133.10083	0.4
144.04491	0.2
145.10109	0.5
147.11668	0.3
155.08580	0.2
156.84471	0.2
157.10045	0.2
159.11642	0.3
172.03909	0.4
179.15717	0.2
183.09184	0.3
204.06509	0.3
207.09282	0.2
257.19180	0.3
275.20038	0.7
314.13116	0.2
335.26089	0.2
363.16003	0.5
375.16257	0.3
376.16541	0.9
377.17755	1.9
378.18521	0.5
379.19220	0.8
389.17758	0.6
390.18497	1.3
391.19336	3.3
392.20215	1.4
393.20810	1.9
401.17719	0.2
403.19345	0.5
404.15372	0.9
404.20157	0.7
405.16388	3.7
405.20990	1.9
406.17068	1.0
406.21777	0.6
407.22482	5.1
408.23178	0.3
417.16711	0.4
418.17532	1.0
418.22601	0.3
419.18320	5.1
420.19370	2.5
421.20169	2.8
421.24789	0.2
431.18857	0.5
432.19638	0.6
433.16061	2.4
433.21265	4.8
434.21274	3.9
435.21832	10.5
436.22427	0.7
446.21106	0.4
447.18179	3.2
447.22650	1.2
448.18173	1.5
449.19611	2.3
450.20654	0.2
451.21384	0.4
460.18970	0.5
461.18793	2.6
462.20450	7.0
463.21225	5.8
465.22876	0.4
475.21304	3.1
476.22214	0.9
477.23056	0.3
479.20828	0.7
489.22968	1.9
490.23364	0.4
491.20905	0.4
492.21924	0.3
493.22119	0.4
493.26395	0.6
494.23193	0.6
505.22089	0.3
506.23181	0.5
507.19843	1.2
508.24780	0.4
517.22394	0.7
519.20435	0.2
520.21021	0.2
521.25751	9.1
534.22589	0.6
549.24994	30.8
550.25604	0.6
577.24957	0.8
581.27643	1.9
609.27075	100.0
609.44409	2.4
610.27472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03923	0.3
55.05504	1.3
57.07080	4.7
59.05004	2.4
67.01414	0.3
67.05505	2.1
69.07066	0.9
71.08635	4.1
79.05495	1.8
81.03401	0.3
81.07061	2.2
83.08635	0.6
85.10195	4.2
87.04476	1.6
89.06034	5.7
90.54035	0.3
91.05476	1.8
93.07053	1.9
93.75132	0.3
95.04979	0.5
95.08604	1.5
98.16782	0.3
105.07037	1.4
107.08608	0.9
109.10166	0.6
117.09130	0.4
119.08589	1.0
121.10162	0.7
131.08575	1.2
133.08621	3.1
133.10103	0.4
135.11702	0.6
143.08563	0.6
145.10146	1.3
146.09425	0.4
147.11671	0.5
149.09589	0.4
149.53883	0.3
157.10165	0.5
171.11760	0.4
175.09680	0.4
177.11227	1.6
198.41505	0.3
199.14963	0.3
229.60344	0.5
249.19330	0.3
257.19110	0.4
257.24701	0.5
275.20117	1.0
297.17923	0.3
335.25662	0.4
390.18716	0.3
391.19330	0.7
403.19186	0.4
404.20532	0.4
405.20810	1.0
411.40015	0.3
414.18832	0.6
415.19083	1.0
416.20367	0.7
417.20825	0.8
418.17471	0.4
419.18076	0.6
419.22601	1.0
420.19302	0.5
429.20966	2.2
430.21851	0.4
431.18344	0.5
431.23260	0.6
433.24768	2.2
434.21078	0.7
435.21646	0.6
443.22849	1.6
444.23895	1.5
445.24283	1.0
446.17395	0.5
447.22610	2.0
449.23236	1.2
457.20087	0.8
458.24911	0.7
459.21448	4.1
460.22949	2.7
461.19339	1.8
461.23767	2.2
462.20581	1.3
463.21338	1.0
471.21997	0.5
472.22333	1.8
473.23367	1.1
474.24118	0.6
475.21475	1.4
476.22034	2.1
477.22812	1.9
485.23340	1.5
487.25308	3.1
489.23318	1.6
491.83221	0.4
503.24948	2.2
507.24146	0.6
516.38910	0.4
519.23914	2.5
521.21387	2.8
531.23944	22.1
532.24896	1.0
534.22565	0.7
549.24969	13.3
563.26251	0.7
580.23169	0.5
581.28217	0.4
591.26099	3.7
608.43750	1.1
609.27100	100.0
609.44641	5.3
610.27325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.13630	0.2
55.05510	0.3
56.43819	0.2
67.05497	0.6
71.11877	0.2
71.12193	0.2
79.05505	0.2
81.07070	0.5
83.08626	0.3
91.05489	0.3
93.07071	0.3
95.08608	0.5
105.07036	0.3
107.08605	0.4
109.10196	0.3
109.40826	0.2
119.08579	0.4
121.10157	0.2
129.07019	0.2
131.08653	0.2
143.08632	0.2
145.10162	0.3
155.08554	0.2
157.10097	0.2
169.10112	0.3
181.10295	0.2
183.11710	0.3
209.10780	0.3
209.13254	0.2
211.12355	0.3
222.11458	0.2
223.12328	0.5
224.13196	0.3
225.13802	0.2
235.12268	0.2
237.13847	0.6
238.14830	0.3
239.15367	0.2
251.15550	0.3
365.18832	0.2
374.16742	0.2
375.16940	0.4
376.17221	0.5
377.17709	0.6
378.19098	0.3
388.17798	0.3
389.18329	1.0
390.18387	1.0
391.19180	1.7
392.19919	1.2
393.20804	0.4
400.17178	0.5
401.17563	0.7
402.19055	0.3
403.19559	0.7
404.20883	0.9
405.21002	2.9
406.21628	1.8
407.22342	2.5
413.17792	0.4
414.18747	0.6
415.19354	1.5
416.20053	0.5
417.21271	0.9
418.22052	0.4
419.18570	0.9
419.22531	0.9
420.23288	0.8
421.23920	3.9
422.24622	0.5
425.18683	0.2
427.19434	0.7
428.20184	0.3
429.20984	1.7
430.21906	1.4
431.18796	0.9
432.19659	0.8
433.20029	1.5
433.24527	0.7
435.21973	0.4
441.20862	0.2
442.21597	0.6
443.22476	0.6
444.23349	0.8
445.20285	1.3
446.21100	0.6
447.17212	2.2
448.19028	0.6
449.23578	0.6
451.21262	0.2
452.21725	0.3
456.19580	0.4
457.24664	1.2
459.22177	2.0
460.23544	1.4
461.19308	5.4
462.20456	2.2
463.20804	1.4
470.21280	0.3
471.17978	0.3
472.22818	0.9
473.18878	0.9
474.20670	0.8
475.21176	7.5
476.21924	5.3
477.22568	4.4
478.23715	0.6
479.24457	0.7
484.18829	0.3
485.23569	7.1
486.20380	3.0
487.21494	0.7
487.25415	0.5
488.22223	0.9
489.23019	4.6
493.22366	0.7
493.26462	0.5
494.26962	0.6
497.23447	0.5
499.21283	4.0
500.22086	1.5
502.23816	0.4
503.24597	7.5
504.21655	0.8
504.25186	0.8
505.22824	0.8
507.24030	0.8
513.23132	1.2
514.23877	0.2
515.24542	5.8
517.22412	2.0
518.23224	0.6
521.26263	2.5
531.23975	8.9
532.24445	0.2
533.25262	0.7
534.22668	0.3
535.23438	0.9
541.22327	0.6
548.24384	0.4
549.25061	2.5
550.25781	4.3
559.23450	5.0
563.26306	1.2
577.24377	1.9
591.26056	10.7
594.25220	0.2
609.27094	100.0
610.27417	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
93.37817	0.4
98.20818	1.2
103.49481	0.4
114.26578	0.4
114.72433	0.5
159.67700	0.5
200.35526	0.5
227.65706	0.4
332.05087	0.5
376.17029	0.7
377.17920	0.8
378.18304	0.5
389.18555	1.2
390.18542	1.3
391.19348	2.1
392.20184	1.1
400.16849	0.6
401.17792	0.8
403.19904	0.8
404.20334	1.0
405.16672	0.5
405.20981	4.0
406.21622	2.9
407.22360	2.6
413.17386	0.7
414.18414	0.6
415.19296	3.2
416.20447	0.9
417.16571	0.8
419.18011	0.8
419.22656	1.3
420.23325	0.8
421.23953	4.4
422.24728	0.7
427.19449	0.8
428.20081	1.2
429.20880	3.4
430.21820	1.3
431.18091	0.9
432.19382	1.1
433.20181	1.6
433.24771	1.0
442.21628	0.6
443.22757	0.9
444.23340	1.4
445.20416	2.0
447.17352	3.0
448.19086	0.9
449.23596	0.7
452.22794	0.5
457.23801	1.7
459.22073	2.3
460.22678	1.8
461.19128	5.9
462.20300	2.4
463.21265	0.9
470.21173	1.0
472.22699	0.8
473.19397	0.8
474.20618	1.4
475.21317	7.6
476.21893	6.0
477.22266	3.9
479.24582	1.0
485.23605	9.9
486.20297	4.0
487.25903	1.0
488.22372	1.3
489.23038	5.1
493.21893	0.5
494.26566	0.7
499.21329	3.0
500.22211	2.0
503.24725	5.3
504.21130	0.6
504.25394	0.7
513.22968	1.4
515.24554	6.9
517.22357	1.0
521.26428	2.4
531.24060	15.8
541.22223	0.6
549.25043	2.4
550.25848	4.6
559.23480	8.3
563.26703	0.5
577.24286	1.3
591.26129	27.4
592.26660	0.8
609.27136	100.0
610.27246	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1604
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
52.57889	0.4
53.03943	0.5
53.98207	0.4
65.03941	0.8
69.03423	1.0
81.03419	2.4
85.02902	0.9
91.05485	7.1
94.53239	0.5
98.21555	1.0
109.02894	0.6
118.04128	0.9
119.04955	17.2
124.43346	0.4
140.01045	0.6
147.04420	92.5
151.64149	0.4
165.05438	2.6
168.00529	4.0
185.46255	0.4
186.01602	1.5
212.04654	0.6
221.46725	0.4
229.04984	0.8
240.04228	1.0
241.04942	0.8
258.05338	2.1
268.03656	0.9
269.04483	1.8
285.03949	6.7
286.04733	66.4
287.04877	0.4
291.08719	5.4
301.07086	100.0
302.07272	0.9
309.09668	2.9
354.96078	0.4
461.35590	0.5
507.41760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.46497	0.4
53.03916	0.5
55.01844	0.7
57.03445	2.9
61.02892	1.3
67.05492	0.5
69.03433	7.9
69.51686	0.8
69.52094	2.2
73.02876	0.6
78.91290	0.4
79.05449	0.4
81.03386	1.3
81.07029	1.2
85.02912	10.5
87.04494	1.9
93.07035	0.4
95.08610	0.4
97.02907	4.4
99.04501	0.4
104.54979	0.4
105.07018	0.8
107.08619	0.4
108.02047	0.7
109.02846	1.3
115.03903	1.2
123.11613	0.7
127.03937	2.2
141.37167	0.4
147.04420	1.9
208.51620	0.4
210.11873	0.4
226.06245	6.4
226.08241	0.7
254.05754	22.3
271.06085	1.7
282.05258	20.4
283.05994	0.4
285.07593	1.1
286.04657	1.2
299.05698	1.0
300.06323	11.6
301.07089	3.9
307.12814	0.5
307.25977	0.5
313.07175	3.2
315.08640	100.0
316.08835	1.0
339.08560	0.9
357.09747	4.7
477.13980	61.1
478.14172	0.6
639.84271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.65419	0.1
57.03423	0.4
67.52850	0.1
69.03428	1.0
69.42151	0.6
69.42556	0.3
73.02922	0.1
81.07042	0.4
85.02905	0.8
87.04474	0.9
93.07037	0.2
95.08611	0.3
97.02890	0.8
98.20742	0.2
105.07010	0.2
107.08587	0.2
109.10108	0.2
115.03914	0.9
127.03905	0.1
132.05750	0.7
132.06583	0.1
133.04936	0.8
133.06494	0.4
140.01012	0.2
153.43349	0.1
168.00539	1.6
177.05499	0.2
186.01634	0.7
198.06792	0.1
213.05533	0.2
229.05017	0.4
235.28754	0.1
254.05794	0.4
257.04437	0.8
269.04718	0.2
269.08044	0.4
270.05240	0.2
271.06036	0.6
272.06686	1.1
282.05191	0.6
283.06046	0.4
285.03955	4.1
286.04419	0.2
297.07559	0.1
298.65970	0.1
299.05499	5.2
300.06296	44.8
301.06927	0.8
302.04251	0.2
315.08624	100.0
316.09174	0.8
357.09833	0.2
378.03970	0.1
477.14029	1.3
574.13379	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	609.2714
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03963	0.7
55.05511	1.2
67.05506	3.8
69.07069	1.5
71.52320	0.8
72.08190	0.7
79.05495	3.4
81.07050	3.6
82.46857	0.7
89.06006	0.7
91.05492	4.3
93.07047	2.9
95.04975	1.0
95.08622	2.1
98.08530	0.8
105.07037	2.6
107.08624	2.3
109.10223	0.8
117.07061	0.8
119.08604	2.3
121.10134	1.3
131.08586	2.2
132.16107	0.6
133.10155	1.9
134.86725	0.7
135.11668	1.0
144.86795	0.8
145.10185	2.2
146.47070	0.7
147.11711	1.0
159.11787	1.1
169.10187	0.8
171.11632	1.0
239.15607	0.8
239.17941	1.1
257.19217	0.8
275.20151	2.0
288.39697	0.8
344.83249	0.7
391.20148	0.9
405.20935	1.3
407.22537	1.1
415.19113	0.9
419.22626	1.1
429.20746	2.9
430.21753	1.2
432.19226	1.4
433.19809	1.6
433.24768	1.4
443.22644	1.2
444.23087	1.5
447.22046	2.4
459.21802	3.1
460.22937	0.8
461.24402	3.6
472.22568	1.8
475.20856	1.1
477.22757	1.6
485.23669	1.2
487.25031	3.5
489.22934	1.6
490.22986	1.4
492.25430	1.0
503.21234	1.6
507.23987	1.3
519.23846	2.8
521.21796	1.6
531.24060	12.7
549.25037	12.6
591.26398	4.0
609.27136	100.0
609.44873	8.6
610.27490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.7
55.05511	1.2
67.05506	3.8
69.07069	1.5
71.52320	0.8
72.08190	0.7
79.05495	3.4
81.07050	3.6
82.46857	0.7
89.06006	0.7
91.05492	4.3
93.07047	2.9
95.04975	1.0
95.08622	2.1
98.08530	0.8
105.07037	2.6
107.08624	2.3
109.10223	0.8
117.07061	0.8
119.08604	2.3
121.10134	1.3
131.08586	2.2
132.16107	0.6
133.10155	1.9
134.86725	0.7
135.11668	1.0
144.86795	0.8
145.10185	2.2
146.47070	0.7
147.11711	1.0
159.11787	1.1
169.10187	0.8
171.11632	1.0
239.15607	0.8
239.17941	1.1
257.19217	0.8
275.20151	2.0
288.39697	0.8
344.83249	0.7
391.20148	0.9
405.20935	1.3
407.22537	1.1
415.19113	0.9
419.22626	1.1
429.20746	2.9
430.21753	1.2
432.19226	1.4
433.19809	1.6
433.24768	1.4
443.22644	1.2
444.23087	1.5
447.22046	2.4
459.21802	3.1
460.22937	0.8
461.24402	3.6
472.22568	1.8
475.20856	1.1
477.22757	1.6
485.23669	1.2
487.25031	3.5
489.22934	1.6
490.22986	1.4
492.25430	1.0
503.21234	1.6
507.23987	1.3
519.23846	2.8
521.21796	1.6
531.24060	12.7
549.25037	12.6
591.26398	4.0
609.27136	100.0
609.44873	8.6
610.27490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99757	0.3
69.03429	0.3
69.07065	0.3
69.77682	0.4
69.78104	0.9
70.06559	0.3
79.05463	0.3
80.30037	0.2
81.03376	0.9
81.07017	0.8
85.02891	1.1
87.00789	0.7
91.05472	0.4
93.07038	0.4
93.18335	0.2
95.08587	0.6
97.02864	0.5
105.07065	0.3
107.08573	0.3
109.02895	0.3
109.10126	0.4
119.08572	0.5
121.10094	0.3
127.03878	0.5
133.10123	0.5
134.03667	0.6
135.04419	0.5
135.11710	0.4
147.04370	0.5
147.11687	0.2
169.01335	0.7
177.05464	0.5
197.00850	1.0
211.16638	0.3
216.04269	0.3
229.04959	0.3
254.05666	0.3
270.05460	0.3
282.05121	0.5
283.05984	0.4
285.03943	2.0
286.04758	0.4
288.02676	3.1
299.05573	1.9
300.06332	0.7
301.07034	1.2
303.05029	6.2
313.03448	13.3
315.04974	0.7
315.08286	0.3
316.02289	0.5
327.05051	1.1
328.05789	3.8
331.04514	43.0
332.04861	0.4
346.06857	10.3
361.09207	100.0
362.09641	0.8
575.04547	0.3
581.39001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67392	0.3
59.04995	0.8
61.82392	0.2
61.89227	0.2
67.05492	0.4
69.03436	0.3
71.51963	0.3
76.64942	0.2
81.07065	0.5
93.07067	0.3
97.02909	4.2
118.44831	0.2
119.03548	0.7
119.08557	0.2
136.06200	100.0
137.04601	0.7
149.99747	0.2
181.73811	0.3
195.35214	0.2
266.68655	0.2
268.02417	0.3
348.07071	31.8
396.27646	0.3
536.26263	0.2
608.28851	1.1
609.37000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.8
67.05524	0.6
69.03429	0.8
71.04973	0.4
71.52274	0.5
73.02930	0.8
73.06551	1.8
81.07046	0.6
85.02898	0.5
87.04475	13.7
89.06036	100.0
91.07612	0.4
93.07095	0.5
95.04968	0.5
99.04492	0.3
100.40278	0.3
107.07077	1.6
113.05964	0.4
117.09132	1.3
127.03923	0.5
130.08679	0.9
131.07063	4.3
133.08611	64.1
147.11693	0.4
167.10114	0.3
175.09666	3.1
177.11230	24.7
179.12782	0.4
219.12364	0.7
221.13844	5.4
223.15562	0.5
228.56538	0.3
239.14999	0.6
248.20642	0.4
253.96295	0.3
265.16431	2.0
283.17462	1.8
286.04736	0.8
301.07068	2.1
309.19067	1.3
327.20239	0.7
353.21652	0.9
371.22726	1.2
397.24200	0.7
411.12134	0.4
415.25470	0.4
503.30368	0.5
537.46069	0.5
547.32831	0.9
591.35864	9.3
608.38293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05509	19.0
57.03426	6.5
57.07079	24.4
58.07403	5.1
59.05009	1.9
62.22176	1.5
65.03942	2.1
65.58398	1.3
67.05513	21.4
69.03436	9.8
69.07074	28.0
70.04070	5.1
70.04427	1.9
71.04969	2.9
71.51835	2.3
79.05505	9.9
81.03418	3.1
81.06593	3.5
81.07060	62.8
83.08637	10.0
85.02910	16.0
85.06548	3.7
87.04468	5.1
91.05501	8.1
92.30160	1.6
93.07047	21.4
95.04967	2.0
95.08611	76.6
97.02900	12.1
97.06539	5.8
97.10191	11.1
97.16460	1.6
99.04465	2.7
99.08121	3.3
103.03928	2.6
105.07047	12.4
107.08605	29.1
108.20970	1.5
109.06470	2.7
109.10164	49.6
111.08094	3.1
111.11690	4.0
113.02339	2.7
115.03940	6.1
117.92416	1.7
119.08591	10.5
121.10155	24.9
123.08064	2.5
123.11719	25.7
125.09623	9.4
126.68511	1.6
127.03984	2.3
131.08533	4.5
133.04976	3.7
133.10126	9.5
133.34467	1.5
135.11720	16.9
137.09669	2.4
137.13248	7.3
139.11143	10.4
145.10152	5.6
147.04407	2.5
147.07988	1.8
147.11676	6.7
149.02351	100.0
149.13271	30.4
150.02684	40.3
151.11177	3.4
151.14827	8.6
153.12706	3.6
157.10287	1.9
159.11723	5.3
161.13274	9.8
163.14850	15.5
165.12746	2.8
167.14386	2.3
173.13242	4.1
175.07544	3.8
175.14835	5.8
177.05504	2.7
177.16377	7.3
179.14311	4.1
179.17903	1.9
187.14850	1.7
189.16437	3.3
191.17970	7.7
193.15880	3.5
195.17482	3.3
201.16377	2.2
203.07037	4.6
203.18024	2.6
204.07446	3.6
205.08641	5.6
206.08955	5.3
207.17404	4.0
209.18991	1.9
215.17935	2.1
219.08600	2.9
219.17453	1.9
221.08183	2.0
233.18950	2.3
259.24216	9.4
271.24283	20.6
277.14383	25.2
277.25320	19.0
278.14673	36.4
287.22134	2.2
289.25272	51.2
295.15564	4.8
296.15698	4.2
305.25055	1.8
307.26364	3.0
351.28894	2.9
363.28983	4.1
381.29984	46.4
399.30939	5.3
400.09579	2.2
445.27698	7.4
553.33698	2.9
571.34357	2.3
607.32983	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	607.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21939	0.4
69.25397	3.1
87.38688	0.3
119.76016	0.4
212.46970	0.3
264.23495	0.4
387.15887	0.6
388.17123	0.6
389.17465	1.0
401.17770	0.6
402.18546	0.9
403.19193	3.7
404.20013	1.5
405.20801	1.8
415.19745	0.5
416.20065	1.2
417.21228	4.6
418.21680	2.2
419.22345	3.9
429.21216	0.5
430.17444	0.7
430.22266	0.6
431.18109	8.2
431.23596	0.9
432.19635	1.6
433.24094	9.6
434.24915	1.1
445.19824	11.3
446.20807	5.0
447.21655	4.1
458.21274	0.6
459.21494	4.8
460.22610	13.6
461.23410	14.9
462.20203	0.5
472.22818	0.4
473.23593	4.3
474.23914	1.4
477.22717	0.6
487.25330	2.0
488.25858	0.6
491.25153	0.7
492.25385	0.7
505.22693	1.6
515.24542	0.7
519.24457	1.2
519.27295	1.7
532.24469	0.9
547.27100	52.2
548.27698	0.7
575.26593	1.1
578.24731	0.4
579.29791	0.7
607.29187	100.0
608.29517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01867	1.9
55.05515	24.9
57.03442	2.9
57.07082	1.4
59.05012	2.7
59.83096	1.3
67.05514	10.4
69.03426	8.4
69.07076	21.4
70.06609	1.6
71.05000	2.8
71.51677	1.6
73.02916	3.3
79.05500	10.8
81.02982	1.1
81.03416	6.1
81.07060	34.9
81.07530	1.7
83.04987	2.7
83.08627	3.7
85.02904	11.7
85.06524	2.8
86.09695	1.9
87.00831	2.3
87.04483	7.5
88.04787	1.3
89.03922	1.5
89.06023	2.6
91.05487	8.3
93.07050	23.5
95.01342	4.6
95.04977	3.3
95.08617	22.8
97.02910	4.1
97.06550	10.3
97.10175	43.3
99.00808	2.3
99.04472	2.1
99.08102	4.9
105.07031	16.0
107.08596	30.1
109.02893	3.2
109.06538	4.2
109.10160	24.2
110.56476	1.2
111.08067	3.9
111.11760	2.7
113.02377	2.4
113.09652	1.5
113.28379	1.2
117.03412	4.5
117.07040	1.4
119.08582	21.3
121.06506	1.8
121.10149	21.1
123.08074	1.6
123.11707	17.8
125.09640	10.1
127.00294	2.2
127.03930	8.2
128.06230	1.2
131.08583	4.6
133.10138	16.8
135.04420	1.3
135.08099	2.8
135.11702	32.6
137.05930	3.0
137.09618	3.3
137.13190	1.7
139.11191	3.8
141.01842	8.6
141.87968	1.2
143.08560	2.2
143.10674	10.3
143.38072	1.3
145.02863	9.2
145.04965	1.9
145.10109	8.8
147.04440	1.7
147.11696	9.9
149.06041	2.5
149.09616	1.8
149.13283	7.2
151.11191	3.3
153.12750	24.5
157.10156	3.7
157.12244	2.2
159.03067	1.5
159.11737	9.0
161.06058	2.3
161.13297	5.6
163.11159	1.8
163.14821	2.5
165.12811	2.7
167.07256	1.3
168.00572	18.8
169.01382	2.1
169.12161	1.6
171.11679	1.5
173.05988	3.0
173.13268	6.8
175.03842	1.3
175.11198	2.4
175.14825	3.8
177.05478	16.0
177.12685	2.9
177.16411	3.1
183.02901	61.2
186.01619	9.9
187.14836	5.9
189.16452	1.6
191.14293	3.0
193.15939	2.4
195.17380	1.2
201.16441	2.8
205.15913	1.6
207.06467	1.8
209.15343	1.5
211.07538	1.4
211.10970	1.4
211.16982	3.5
213.05563	2.1
213.09261	1.3
227.12811	3.2
235.16873	6.1
238.75749	1.3
239.07068	2.3
245.13889	15.2
257.08112	4.7
257.22708	2.3
267.21167	2.1
275.23801	3.5
283.19073	2.8
285.22229	7.0
287.05463	7.1
287.23734	2.0
291.23282	6.6
293.08267	1.7
293.24734	2.6
297.04349	1.4
298.04718	1.7
301.07193	3.9
301.20108	1.5
302.04221	2.1
303.23212	13.2
305.24689	6.0
311.05414	1.7
313.07025	2.8
317.06616	4.0
321.24185	1.7
323.05383	1.5
323.25879	5.9
325.10812	3.6
326.04245	2.6
328.05765	3.9
337.07050	1.9
339.05066	3.1
341.06580	11.4
341.10181	2.1
341.26868	3.8
349.10669	2.4
352.09451	1.8
354.07312	7.6
356.08990	5.3
357.09912	2.2
362.07855	1.4
365.26874	8.0
367.11801	4.0
369.09680	9.7
377.26901	12.3
383.27924	14.6
395.11179	9.9
395.28055	25.0
401.12308	2.4
413.12329	100.0
413.29010	14.7
414.12393	1.8
424.21857	1.3
553.29779	1.7
571.31274	3.0
607.27832	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	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.24466	0.3
55.56008	0.3
65.98588	0.3
71.23111	0.5
71.23474	0.3
91.92743	0.3
111.44168	0.3
181.05066	0.3
195.38878	0.3
207.09131	0.3
208.02983	0.3
231.09091	0.3
300.15494	0.3
387.16275	0.5
388.16641	0.6
389.17590	0.9
390.18359	0.4
401.17822	0.6
402.18927	0.8
403.19196	2.7
404.20108	1.2
405.20825	1.3
416.19998	0.9
417.16324	0.8
417.21307	3.2
418.22101	2.0
419.22485	2.8
429.21472	0.4
430.22360	0.6
431.18185	7.0
432.18378	1.4
432.24152	0.7
433.24005	6.7
434.24722	0.6
443.18896	0.4
444.18988	0.5
445.19919	9.0
446.20660	3.7
447.21576	4.1
447.26721	0.3
449.23337	0.4
459.21698	3.9
460.22559	9.7
461.23361	10.5
461.29700	0.6
473.23633	3.0
474.24225	0.8
477.22940	0.3
487.24994	1.3
488.25528	0.7
489.22858	0.4
491.20438	0.3
491.24887	0.5
492.25031	0.9
505.22562	1.8
506.26880	0.5
515.24365	0.9
519.24316	2.1
532.24634	1.1
547.27094	27.0
548.27582	0.8
575.26752	1.1
607.29175	100.0
608.29443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2557
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.01875	0.9
55.05508	1.2
58.90352	0.5
59.05006	1.3
67.05500	1.5
69.07027	0.7
69.60612	3.1
79.05507	0.7
81.03404	0.7
81.07037	2.0
81.66426	0.5
83.04962	0.7
84.40471	0.6
91.05499	1.3
93.07021	1.5
95.08610	1.0
98.21452	1.1
104.74616	0.5
121.81277	0.5
126.21354	0.5
131.08556	0.8
157.10014	0.6
173.77335	0.5
199.20259	0.5
266.58380	0.5
271.12292	0.6
290.46481	0.5
313.05032	0.5
380.22397	0.7
388.16669	1.1
389.17630	3.1
390.18494	0.9
391.19183	1.0
396.41342	0.6
401.17752	1.1
402.18637	1.2
403.19470	4.5
404.19907	2.2
405.20871	2.9
406.38354	0.6
416.15536	0.7
416.20551	0.9
417.16028	3.3
417.20963	2.4
418.17502	1.4
418.22119	1.0
419.22531	6.6
420.23178	0.8
430.17365	1.3
431.18350	8.7
432.18872	3.4
433.19525	3.6
437.25262	0.8
445.20111	8.2
446.20944	7.0
447.21646	8.8
458.20682	0.8
459.21622	2.9
460.22406	1.7
461.18826	0.9
461.24332	1.0
463.25290	0.7
473.23444	1.8
474.20453	5.5
475.21152	4.4
477.22531	0.8
478.22644	0.7
487.21011	1.2
488.20175	0.5
491.20801	2.2
501.22711	1.5
505.22055	1.0
519.24115	16.6
547.22955	13.4
579.26172	5.4
589.24274	0.6
607.25433	100.0
608.25549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2555
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.44759	0.2
71.38128	0.3
72.94390	0.2
132.06186	0.2
138.63531	0.2
158.09695	0.2
207.09232	0.3
221.10667	0.2
297.90341	0.2
322.13446	0.2
336.73401	0.2
373.14246	0.3
375.16205	0.5
387.16199	0.4
388.17001	0.9
389.17664	2.2
390.18536	1.3
391.19592	1.0
401.18121	0.5
402.18860	1.0
403.19507	4.0
404.20212	1.5
405.15915	0.2
405.20877	2.8
406.21359	0.3
407.22537	0.2
415.19336	0.4
416.15640	1.1
416.20947	0.3
417.16235	3.8
417.21161	2.0
418.17670	0.7
418.22659	1.1
419.22559	5.7
420.22885	0.6
429.17062	0.6
430.17981	0.8
431.18369	7.5
432.19299	3.0
433.20093	3.3
435.21353	0.3
443.18640	0.6
444.19550	0.5
445.20135	5.1
446.21106	7.4
447.21774	8.4
448.22507	0.7
449.19745	0.2
459.17856	1.2
459.22180	1.2
460.18158	0.5
460.22763	0.7
461.19104	1.5
462.24103	0.7
463.20529	0.3
463.25775	0.4
473.19104	0.7
473.23770	0.8
474.20395	5.0
475.21149	4.4
477.23569	1.0
478.23920	0.9
487.21426	1.8
488.22150	0.6
489.19107	0.3
490.23578	0.7
491.19925	2.4
492.25470	0.2
501.23135	1.2
503.24210	0.5
504.21808	0.3
505.22278	0.9
506.23267	0.6
518.23218	0.3
519.24097	17.5
520.24603	0.3
522.20667	0.2
529.22302	0.5
533.21851	0.4
547.23364	12.8
548.23816	0.5
551.26807	0.4
561.25177	0.2
575.22943	0.2
579.26074	6.2
589.24567	0.5
607.25519	100.0
608.25677	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.81189	0.3
53.65479	0.3
55.05499	0.4
57.07061	0.4
64.76740	0.3
67.05492	0.5
68.15276	0.3
79.05495	0.4
80.68170	0.3
81.07035	0.8
82.63218	0.3
91.01982	0.3
91.05447	0.9
93.06986	0.4
98.20729	0.7
101.42747	0.3
105.07005	0.7
115.20208	0.4
119.08574	0.4
123.11678	0.3
129.91106	0.3
144.06511	0.3
147.11646	0.4
184.00813	0.3
207.09085	0.3
223.12294	0.4
235.12498	0.4
249.10385	0.5
275.20190	0.4
312.14896	0.4
373.14694	0.4
374.15298	0.7
375.16165	1.0
376.17734	0.4
387.16058	0.6
388.16855	1.1
389.17764	3.0
390.18369	1.0
391.19208	0.8
401.13498	0.5
401.17996	0.4
402.18466	1.0
403.19479	5.7
404.20206	2.7
405.20844	2.7
415.19687	0.6
416.16168	1.0
417.16248	4.4
417.21091	2.4
418.17499	1.0
418.21841	1.0
419.22537	7.1
420.23383	0.7
424.54800	0.3
430.17673	0.9
431.18326	9.1
432.19019	2.4
433.19891	2.4
443.19025	0.8
444.19693	0.4
445.20358	7.3
446.21036	7.3
447.21783	10.2
448.22751	0.5
459.17880	1.8
459.22287	1.4
460.18192	0.6
460.23416	0.5
461.18808	1.5
462.24631	0.4
463.25146	0.8
469.38739	0.4
473.19553	1.4
473.24585	0.6
474.20508	10.7
475.21240	11.7
476.21710	0.4
477.23511	0.5
478.23483	0.6
487.21466	2.3
488.22195	0.7
490.23709	1.3
491.20935	1.8
491.25345	0.7
501.22714	2.0
502.23477	0.4
505.22092	1.0
518.23096	0.7
519.24164	13.2
529.22272	0.5
532.20959	0.9
547.23431	61.0
548.23981	1.1
561.24829	1.0
579.25885	4.1
589.24298	1.0
607.25531	100.0
608.25360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
57.07072	0.3
67.05517	0.2
71.08641	0.3
81.07062	0.5
95.08601	0.2
98.20724	0.4
107.08644	0.3
119.43250	0.2
128.05118	0.2
141.81409	0.2
200.31555	0.2
212.94211	0.2
275.20313	0.4
279.38950	0.2
313.27347	0.2
349.24088	0.2
351.54767	0.2
388.18286	0.2
389.18661	0.3
399.16306	0.4
400.17068	0.7
401.17572	0.6
402.18481	0.3
404.20618	0.3
413.17700	0.8
414.18445	1.3
415.19168	3.8
416.20059	1.6
417.20917	0.5
418.23273	0.2
427.19473	0.6
428.20212	0.9
429.20911	6.8
430.21658	3.7
431.22797	1.0
433.24069	0.5
442.21603	0.4
443.22705	3.6
444.23599	5.9
445.24274	3.7
448.26376	0.8
455.18860	0.6
456.19873	0.3
457.20270	1.4
457.24857	0.7
458.25580	2.4
459.21255	2.1
459.25757	2.9
470.21005	0.6
471.21921	1.3
472.22607	3.0
473.23492	4.9
474.24405	1.9
476.21951	0.4
485.23550	3.4
486.24548	1.4
487.24976	18.5
488.26620	1.0
489.23059	0.7
490.23523	0.4
500.21820	0.3
501.23285	0.3
502.23273	0.2
503.24850	2.1
504.25250	0.6
513.23303	0.5
517.26428	2.2
518.23059	0.7
530.23456	0.3
531.24036	0.8
532.24622	0.6
545.25500	16.4
546.26239	2.9
573.24933	1.8
577.27722	0.4
590.25494	0.3
605.27588	100.0
606.27893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.05500	1.5
55.05507	5.2
56.12658	2.2
57.03431	2.1
57.07079	23.1
62.62587	1.7
67.05518	17.7
69.07063	7.6
71.08636	10.7
74.84178	1.7
78.19848	1.9
79.05475	9.6
81.03429	38.6
81.07067	16.5
83.04971	3.2
83.08615	14.1
85.10187	5.5
91.05478	8.1
93.07052	5.4
95.04973	8.3
95.08620	15.6
97.10163	3.0
98.98524	2.0
105.07035	7.7
107.04952	2.9
107.08575	3.6
109.10153	8.6
111.08100	2.6
119.08575	8.8
121.10168	3.4
121.62933	2.0
123.08038	2.3
123.11684	3.9
129.07022	6.4
131.08592	4.6
133.06500	2.4
133.10104	3.3
147.11703	2.8
155.01053	5.0
157.10150	4.5
159.11653	2.1
175.11211	4.9
181.08469	1.7
184.51881	2.1
191.67683	1.8
193.12279	25.8
194.61636	1.8
195.37904	2.0
239.23828	3.7
249.14940	2.8
273.18423	2.1
313.27374	3.0
377.67780	1.9
387.58536	2.0
448.46371	2.1
491.37241	4.5
505.38925	100.0
603.25989	4.3
603.44012	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	604.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05520	1.1
57.03442	5.8
59.05006	100.0
60.44069	0.5
67.05501	1.2
69.03433	3.0
69.07077	1.3
70.04089	1.5
70.06584	0.6
71.05004	0.8
71.52508	0.6
74.84595	0.4
79.05503	1.2
81.03430	2.0
81.07056	2.3
82.06601	1.1
83.05018	0.6
83.08662	0.5
85.02911	5.4
85.06519	0.4
87.04483	0.9
89.06049	1.1
91.05466	1.2
93.07053	1.1
95.05001	0.9
95.08629	1.2
97.02889	2.7
97.06532	0.9
99.04485	0.7
99.08120	1.6
100.07653	1.1
101.09679	1.1
103.80817	0.5
105.07053	1.2
107.08631	1.5
109.02913	1.6
109.06549	0.9
109.10197	1.3
115.07558	2.5
117.09141	35.7
119.08615	1.4
121.10146	1.1
123.11740	0.5
127.03902	2.6
131.08554	0.8
133.10179	1.3
135.11740	0.6
137.06017	0.6
145.04985	0.6
145.10149	0.5
146.08147	0.7
146.10611	0.5
159.11743	0.9
175.11786	1.2
175.13318	21.5
177.16412	0.7
193.14391	0.8
230.91969	0.5
233.17487	10.0
251.18622	3.1
283.17737	0.6
286.04843	1.0
287.05176	0.6
291.21677	2.4
301.07065	1.0
302.07480	1.1
309.22888	1.2
356.15546	1.1
367.27255	1.3
424.30457	0.6
425.31131	20.1
499.59827	0.4
546.97430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.14685	0.4
69.03431	0.7
69.54668	2.2
78.04698	1.5
79.05492	2.5
81.03412	0.5
81.07088	0.6
85.02922	1.8
85.93471	0.4
88.03388	0.3
88.03991	1.0
91.05495	1.7
93.07058	0.8
94.34003	0.4
95.04959	1.0
97.02882	0.8
98.20902	0.9
98.21437	0.3
103.05469	4.0
105.07029	4.3
106.04189	1.2
107.04218	0.5
107.04957	6.5
109.06465	0.6
115.05437	1.5
117.07036	0.9
119.04929	0.4
121.06516	1.9
123.04430	4.4
123.08039	0.6
124.05211	2.5
127.03930	0.6
129.07005	0.9
131.04941	6.1
131.08580	1.0
133.06493	5.1
135.04535	0.5
135.08075	1.3
137.05983	2.6
141.07011	0.7
143.04846	0.4
143.06013	0.3
144.05652	0.7
144.06674	0.6
145.06500	2.0
145.10155	0.6
147.04388	1.2
149.05998	0.6
151.03896	0.6
151.07515	3.5
152.04729	1.9
153.05534	0.4
157.06450	0.5
158.07356	1.0
159.08043	1.6
160.05168	0.5
161.05997	6.2
163.07553	12.9
165.09158	0.4
167.07045	100.0
168.07414	0.4
173.05974	1.1
173.09596	1.2
175.07559	1.3
177.09102	2.4
179.07021	3.5
180.08699	0.6
181.08617	3.8
187.07558	2.5
191.07097	0.5
192.07777	0.8
193.08624	14.0
195.10110	0.3
201.09099	1.9
204.22025	0.3
205.08604	1.2
207.10201	0.6
217.08592	0.7
219.10165	2.4
231.07938	0.6
231.37946	0.3
233.11758	2.8
235.11121	0.4
237.11253	2.4
248.08383	0.4
251.12721	1.8
263.10629	0.7
291.10211	0.7
295.13367	0.8
296.15195	0.4
323.12872	2.1
354.21964	0.3
355.15427	13.4
358.62750	0.3
384.67545	0.4
387.18039	14.5
405.19098	32.2
406.19696	0.5
423.19992	1.2
446.25247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04728	0.4
51.49872	0.5
53.35928	0.5
55.05511	0.6
59.04996	1.0
62.68559	0.5
63.70735	0.4
67.05491	1.4
69.03430	1.1
69.07060	2.0
72.96071	0.4
73.02934	0.5
73.71214	0.5
79.05468	0.9
81.03407	1.4
81.07043	1.5
83.08640	0.6
85.02887	1.4
87.04480	0.6
91.05482	1.1
93.07046	1.2
95.08659	2.6
96.04169	0.5
97.02879	0.8
97.06519	0.9
98.21510	1.2
105.07028	0.9
106.70943	0.6
107.08601	1.9
109.10138	2.2
118.04214	0.5
119.08572	1.1
121.10143	1.2
127.03917	0.5
133.10109	1.1
147.11754	0.8
161.13266	0.7
169.01334	0.8
189.16409	0.7
190.16734	0.8
192.18253	0.7
200.13239	0.6
201.39693	0.5
203.17924	0.9
204.18266	0.7
257.04602	0.6
269.04468	3.0
272.03229	2.7
275.05618	0.6
283.06100	2.2
286.04758	1.0
287.05496	5.6
297.03964	12.7
299.05499	1.2
301.07172	1.4
303.08652	0.7
311.05511	1.5
312.06229	4.0
315.05014	46.0
316.05460	0.9
329.06650	0.5
330.07333	11.3
345.09711	100.0
346.09842	0.8
371.07523	0.7
393.85553	0.6
408.37183	0.6
441.08322	0.7
463.21426	0.7
603.30695	0.7
605.07361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	6.7
57.07082	100.0
58.04220	6.4
59.05005	39.9
60.04543	3.4
67.05493	5.7
69.07070	6.1
71.08245	4.7
71.08640	85.0
72.05781	6.6
73.02929	5.5
73.06561	9.2
75.53521	3.1
77.85842	3.4
81.07064	10.0
83.08621	4.3
85.10190	85.9
87.04477	20.8
87.08111	4.7
89.06051	18.0
89.49805	3.2
90.01924	33.0
91.05477	8.5
93.07059	4.4
95.08597	4.0
97.10159	5.5
99.11716	9.2
100.08904	3.3
101.06030	4.6
103.07550	7.9
105.07040	11.9
107.08624	4.5
116.08349	3.6
117.07027	3.3
117.09136	14.8
119.08588	7.0
121.10136	5.6
133.08632	7.2
133.10130	3.0
138.14114	2.8
141.16371	4.2
142.12639	3.6
145.10100	3.4
147.10146	3.4
157.10106	5.4
165.09105	6.6
178.07106	6.6
199.20547	18.1
203.14310	3.1
209.13547	4.3
211.14790	3.0
221.15573	8.3
222.09772	11.7
223.15439	3.7
229.42014	4.0
238.83029	2.9
257.24789	8.1
266.12524	3.7
268.17557	3.2
326.21774	4.0
328.15860	6.0
362.32834	3.4
450.38248	14.8
466.37415	3.4
503.37076	3.6
510.39883	3.8
601.43085	21.1
627.46765	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
55.05516	25.6
57.07081	64.6
58.07406	12.8
59.04996	14.0
67.05510	32.5
69.03442	18.7
69.07071	21.8
69.30735	26.2
71.04991	7.2
71.08636	44.0
72.08966	7.0
73.06564	4.4
77.43894	3.2
79.05499	33.1
81.03411	7.4
81.07061	48.6
82.07407	5.8
83.04999	24.0
83.08623	13.0
85.06550	7.2
85.10182	32.9
86.10516	6.0
87.04469	8.3
89.06043	62.5
90.06361	7.8
91.05492	58.3
92.05807	3.6
93.06490	4.2
93.07055	83.0
94.07364	5.3
95.04970	21.7
95.08074	3.8
95.08627	49.9
97.06544	15.4
97.10159	3.8
103.05472	5.7
105.04562	5.7
105.07047	100.0
106.07342	7.0
106.36765	2.8
107.04971	4.6
107.08611	72.6
109.06522	14.7
109.10176	34.0
111.08075	7.3
113.09648	3.8
115.05447	8.1
117.07035	21.0
119.04981	3.2
119.06090	2.9
119.08590	96.8
120.08907	9.7
121.06518	9.6
121.10161	77.4
122.10463	3.9
123.08078	20.6
123.11712	8.7
125.09634	14.6
128.06232	15.6
128.71889	3.1
129.07031	25.6
130.07750	10.5
131.08585	42.0
133.06544	3.6
133.07652	5.1
133.08615	51.5
133.10141	57.0
134.08928	9.3
134.10474	4.5
135.08090	17.5
135.11690	24.7
137.09630	7.2
139.11136	5.7
141.07030	7.8
142.07784	31.1
143.08592	49.7
144.09245	12.1
145.06444	6.6
145.10147	75.5
146.10500	9.9
147.08038	13.2
147.11726	25.6
149.09654	19.0
149.13272	5.4
154.07770	4.1
155.08548	21.8
155.10670	10.4
156.09351	19.3
157.10147	66.1
158.10529	7.2
159.08067	19.0
159.11702	43.6
160.11990	6.7
161.09613	16.2
161.13286	9.1
163.11160	8.9
165.06967	9.2
165.09134	9.5
166.07555	2.8
167.08548	13.2
167.10687	55.7
168.09279	8.4
169.10141	29.9
170.10803	10.7
171.11702	37.9
172.12146	5.9
173.09610	9.5
173.13277	20.7
174.10159	3.4
174.13570	4.5
175.11220	12.8
175.14822	13.2
177.11295	17.5
177.12637	5.8
178.11507	3.6
179.08595	12.7
180.09253	3.7
181.10147	15.8
181.12196	7.0
182.10852	11.9
183.11732	27.7
184.12392	4.7
185.09682	6.5
185.13274	21.2
186.13713	3.8
187.11292	5.0
187.14818	10.5
189.12755	10.3
191.14275	7.8
193.10147	14.4
193.12109	4.1
194.10866	10.1
195.11765	23.3
196.12410	9.2
197.13255	27.3
198.13698	8.4
199.11154	6.7
199.14812	13.2
201.16341	4.6
203.14343	9.8
205.10123	4.1
206.10974	9.8
207.11792	18.4
207.13609	4.4
208.12418	7.8
209.13251	26.4
209.15010	4.0
210.13736	7.9
211.11221	4.6
211.14835	15.2
212.15276	4.2
213.12729	6.8
213.16313	8.2
215.08630	3.3
215.14366	8.9
217.15785	5.3
219.11819	4.9
220.12389	6.5
221.13310	11.6
221.15419	26.0
222.13879	5.8
222.15846	4.6
223.14844	16.5
224.15274	5.0
225.12794	7.5
225.16386	11.1
227.14436	5.0
233.13251	9.2
233.15375	24.4
234.13840	4.0
234.16025	4.3
235.14812	9.3
236.15477	5.6
237.16382	8.5
239.17999	4.5
241.15941	4.3
243.11658	3.8
245.13280	4.8
247.14818	8.7
249.16440	7.6
251.17998	4.6
253.15909	4.2
253.19600	3.7
255.17493	8.1
256.17789	7.1
259.14703	4.7
263.18030	6.1
265.19562	5.3
269.18970	9.5
270.19476	3.9
273.16144	4.1
273.18732	4.3
275.17877	4.4
277.19504	5.6
281.19009	6.4
283.20636	6.5
285.18640	4.9
287.20206	4.4
295.20718	4.2
299.20053	8.8
313.27548	3.8
327.20288	5.2
353.24628	3.9
366.25211	3.6
371.22842	8.9
372.23135	10.3
373.24399	4.0
384.61874	3.3
412.26410	3.4
517.50494	3.1
521.87616	3.2
565.40503	4.0
583.41290	10.1
584.44275	5.0
601.41437	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	15.2
57.03438	2.3
57.07089	13.8
59.05009	3.1
67.05512	18.1
69.03429	8.3
69.07075	13.9
69.15163	25.1
71.08624	3.7
72.10056	2.4
79.05499	19.7
81.07063	34.1
82.86917	2.3
83.04989	7.1
83.08606	5.1
85.06554	4.8
89.06020	5.2
91.05476	24.6
93.07049	42.6
95.04972	11.1
95.08613	32.3
97.06530	7.0
97.37721	2.6
103.04054	2.9
103.05457	3.3
105.04498	4.0
105.07038	44.0
106.07343	4.5
107.04945	4.8
107.08604	28.5
108.08920	5.1
109.06512	10.5
109.10168	18.1
111.08094	4.8
115.05464	2.9
117.07019	13.8
119.04974	3.5
119.08588	50.2
120.08868	5.7
121.06503	6.3
121.10155	24.4
121.57843	2.1
123.08084	18.2
123.11732	4.1
125.06001	8.9
128.06226	4.3
129.06981	9.8
130.07806	4.9
131.08588	28.7
133.06491	4.4
133.10144	30.4
134.10449	4.0
135.08086	12.9
135.11697	8.8
136.51920	2.3
137.09653	16.1
137.95178	2.3
138.09947	2.6
139.07521	4.5
141.06958	2.2
142.07753	10.3
143.08615	20.5
144.09274	5.6
145.06485	3.1
145.10147	40.5
146.10486	8.5
147.04411	7.1
147.08066	29.1
147.11690	11.4
148.08488	2.9
149.09608	7.1
151.07559	18.0
155.08565	6.0
156.09383	6.6
157.10150	29.7
158.10559	5.4
159.08076	8.3
159.11725	22.8
160.12105	4.2
161.09596	9.1
161.13248	7.4
163.11195	10.6
163.14824	3.4
165.09131	48.2
166.09456	5.8
167.08574	2.7
168.09244	3.7
169.10130	10.6
170.10750	5.4
171.11710	16.1
172.12166	6.3
173.09647	6.1
173.13246	8.0
175.11183	10.2
175.14832	5.6
176.11612	3.3
177.09102	3.7
177.12767	4.5
179.08549	3.9
181.10089	3.9
181.12228	13.4
182.10883	6.4
183.11667	12.5
184.12361	2.8
185.13271	11.4
187.11285	4.5
187.14798	7.0
189.12744	5.9
189.16400	12.3
190.13402	4.7
191.10651	5.3
191.14253	4.5
193.10027	4.2
193.12222	5.5
194.10820	3.9
195.11671	7.0
196.12202	3.8
197.13254	9.0
198.13699	3.1
199.11188	5.3
201.12772	3.3
203.14330	20.2
205.16042	3.6
206.10953	2.9
207.11824	5.3
207.13850	8.9
208.12306	4.2
208.14497	5.7
209.13187	6.3
209.15027	4.7
210.13907	3.3
211.11395	3.2
211.14816	6.2
213.16321	2.5
215.14241	5.0
219.13867	3.3
221.15379	100.0
222.13797	3.0
222.15742	19.6
223.14803	3.0
225.12715	3.2
229.15907	7.0
231.17491	3.1
233.13290	2.8
233.15359	9.8
234.16078	6.7
235.14630	2.8
235.16679	4.7
237.16426	3.7
247.16928	11.2
248.17348	7.1
249.16119	2.6
253.15953	3.9
271.16867	3.1
274.19159	5.2
279.20734	2.4
286.19147	4.5
287.19931	6.0
288.20523	2.5
297.18661	2.7
299.20081	7.6
300.20529	8.2
301.21741	3.3
312.20609	4.0
313.21317	2.5
325.21814	4.8
326.22064	5.0
327.23233	2.7
340.24014	4.0
341.24362	4.6
352.23947	7.2
353.24469	12.2
365.24457	3.3
366.25146	4.4
367.26266	5.4
370.21033	3.2
377.08887	2.3
388.25732	2.9
393.27817	3.5
393.42245	2.4
414.27179	3.3
420.29984	7.5
421.30231	3.7
426.27548	4.5
427.20444	5.0
427.28381	7.0
428.28665	7.5
432.18918	2.9
437.34213	3.4
440.29089	9.4
441.29492	19.4
491.35034	10.3
501.78455	2.9
503.36398	2.7
508.34814	3.2
509.35965	7.4
514.24640	7.9
521.35913	26.8
541.23340	6.7
583.41010	10.0
601.25342	24.8
601.42944	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05504	14.9
57.03438	2.8
57.07076	4.3
67.05508	26.9
69.03439	2.7
69.07069	24.0
69.66685	8.8
71.01353	5.5
71.05003	2.4
71.08630	1.4
73.02910	6.2
79.05502	12.4
81.03447	1.9
81.07066	50.6
83.04981	1.6
83.08626	15.1
84.73376	1.4
85.02908	25.3
91.05482	19.4
93.07050	38.9
95.01320	9.7
95.04951	1.9
95.08612	100.0
97.06533	3.0
97.10166	10.3
103.03976	1.6
103.05499	2.1
105.07044	39.4
107.08605	61.2
109.06496	2.3
109.10165	77.9
111.04440	2.9
111.08064	2.8
111.11724	4.7
113.02353	7.9
117.07043	4.5
119.08591	64.7
121.10150	56.9
121.42104	1.4
123.11712	30.2
129.05443	1.5
131.03407	4.4
131.08585	6.5
133.10136	50.3
135.11693	46.1
137.05939	2.1
137.13261	7.7
141.01836	14.5
143.08536	1.9
144.09427	1.7
145.10146	15.4
147.04431	2.0
147.06462	1.4
147.10521	2.1
147.11694	38.5
147.12820	2.9
149.13280	22.8
151.11185	1.3
151.14842	2.1
157.10132	3.1
159.02869	3.8
159.11696	18.9
161.13269	37.4
163.14832	25.7
171.11711	3.6
172.12585	2.0
173.13292	13.1
175.14836	25.0
177.05484	2.7
177.16399	30.7
179.17946	3.7
185.13286	3.6
187.14821	22.6
189.16393	74.4
191.17955	51.2
193.19373	1.8
199.14821	3.4
201.16428	18.8
203.17972	42.0
205.19518	17.7
207.17482	4.2
213.16518	2.8
215.17950	16.8
217.19533	41.8
219.21013	4.5
221.19072	3.2
227.17882	5.3
229.19530	14.5
231.21048	9.5
241.19502	3.5
243.21074	9.7
245.22557	7.2
255.21126	4.2
257.22662	11.0
269.22729	5.7
271.24326	10.8
285.25705	1.8
297.25778	9.1
299.09109	4.9
300.09610	1.7
337.28928	2.2
365.32022	4.6
377.23361	1.7
383.20624	3.0
407.36768	56.6
425.37637	9.0
509.18179	13.6
583.14252	2.2
583.22461	2.0
601.41174	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	601.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
55.05521	18.5
57.03436	4.6
57.07074	6.5
65.03909	2.7
67.05175	3.5
67.05508	38.5
69.03431	13.4
69.07069	37.2
71.01353	4.0
71.05000	3.0
71.52431	3.1
73.02906	5.5
79.05495	34.1
81.03423	19.0
81.06593	4.1
81.07059	66.6
83.04990	7.7
83.08611	20.6
85.02910	19.6
85.06558	4.7
91.05488	21.1
93.07049	44.5
95.01337	6.6
95.04941	9.2
95.08611	100.0
97.02866	9.5
97.06547	33.2
97.10175	16.6
99.08079	4.7
103.05454	4.4
105.03406	3.4
105.07032	50.9
107.04937	8.7
107.08604	67.5
109.02859	9.5
109.06528	5.8
109.10158	73.9
111.11735	6.1
113.02385	8.5
117.07031	7.1
119.08589	70.6
121.06529	3.6
121.10156	56.6
123.08129	3.9
123.11727	36.5
125.09566	2.9
127.03971	5.3
129.06964	4.9
131.03413	5.3
131.04919	3.2
131.08565	13.6
133.10127	53.1
135.11697	46.6
137.06017	4.3
137.13225	9.4
141.01826	13.0
143.08582	6.6
145.06468	5.2
145.10149	19.0
147.04408	2.8
147.10658	4.6
147.11702	47.6
149.09619	4.6
149.13290	20.9
157.10147	6.3
158.10728	3.5
159.02934	5.8
159.04362	2.7
159.11708	17.0
161.05986	4.1
161.13289	32.2
163.14835	32.3
165.12767	3.7
171.11700	4.3
173.05969	5.2
173.13264	12.5
175.14838	30.9
177.16383	30.4
179.17946	2.7
181.06461	3.9
181.16002	3.3
183.11740	3.4
185.13188	4.8
187.07599	3.4
187.14830	17.6
189.16393	61.3
191.10680	5.5
191.14346	3.2
191.17941	48.2
193.12172	3.0
193.15820	3.6
199.14844	3.2
199.16911	3.4
201.16382	22.1
203.17978	39.9
204.16859	2.9
205.19539	18.2
211.16846	5.4
213.16261	3.6
215.18025	17.3
217.19516	28.9
219.21120	5.4
227.33292	2.8
229.14410	5.7
229.19534	10.3
231.21162	7.9
243.21068	11.5
245.22612	8.9
257.22736	13.8
265.12204	3.6
269.22552	5.3
271.24228	10.0
283.24255	5.2
289.14206	3.7
297.07574	14.9
297.25751	9.8
298.08298	5.6
301.14355	7.7
311.70993	3.2
317.06775	3.5
327.04865	4.3
337.16336	3.8
341.06607	4.1
353.13882	37.8
365.31924	4.4
367.15567	3.6
375.17957	5.6
380.19720	5.9
383.20908	4.4
407.36777	53.3
420.13776	3.1
425.37622	10.7
439.09680	3.6
463.20987	5.2
475.27032	4.5
509.18121	23.1
509.24789	5.7
583.28955	10.6
599.21350	3.3
601.18903	12.3
601.29486	18.5
601.40656	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51289	0.9
53.03930	1.2
55.01869	1.8
55.05515	15.9
57.03433	3.7
57.07076	5.3
57.32473	1.1
65.03943	1.7
67.05177	2.0
67.05511	27.3
69.03439	1.3
69.07076	26.0
69.21132	2.3
69.21542	8.1
71.01353	3.9
71.08642	2.0
72.22926	1.1
73.02930	5.1
75.63192	1.0
77.03927	1.2
79.05498	16.1
81.03449	1.7
81.07063	47.5
83.04965	1.6
83.08624	13.7
85.02915	20.3
85.06554	1.3
89.06004	2.0
91.05484	16.2
92.09654	1.1
93.07052	35.3
95.01328	6.0
95.04988	1.1
95.08614	100.0
97.10178	8.1
98.21557	2.1
99.00822	1.5
101.02422	1.3
103.03981	2.6
103.05475	1.4
105.07037	35.7
107.08601	55.2
109.06531	1.8
109.10165	76.6
111.08094	2.4
111.11711	6.4
113.02383	8.5
117.07052	3.0
119.08585	49.4
121.10152	54.2
123.11717	29.2
129.06923	1.6
131.03427	3.5
131.08563	7.7
131.80707	1.0
133.10138	42.8
135.11707	37.7
137.13258	8.0
139.11151	1.1
141.01825	9.6
143.08591	1.2
145.10126	14.3
147.11708	32.9
149.13268	26.8
151.14809	2.8
157.10133	3.2
159.02888	4.0
159.11697	21.1
161.12000	2.4
161.13277	38.0
163.14842	21.1
167.07059	1.7
167.14395	2.6
168.00572	1.3
171.11749	2.7
172.12376	1.1
173.13274	12.7
175.14842	26.8
177.11331	1.2
177.16393	29.2
179.14307	1.2
179.17960	3.8
183.02885	1.3
185.13237	2.9
185.15366	1.8
187.14844	17.8
189.16396	75.1
191.17966	54.4
199.14902	2.4
201.16400	22.4
203.17973	38.4
205.19543	18.0
207.17430	3.1
213.16426	2.5
215.17979	18.1
217.19522	36.7
219.21155	5.8
221.19070	2.0
227.17998	6.4
229.19542	15.4
231.21130	8.4
241.19554	2.5
243.21118	8.0
245.22678	7.1
255.21126	5.3
257.22595	9.6
259.24194	1.4
269.22644	7.2
271.24182	10.7
283.24237	3.0
285.25726	2.6
287.05493	2.1
297.25797	12.0
299.05753	1.2
299.09100	1.8
302.04285	2.9
311.27335	1.7
313.07190	1.8
315.05035	3.3
317.06528	3.8
322.54800	1.2
327.04855	3.0
337.28851	1.9
338.04221	1.4
339.56192	1.1
341.06622	4.6
351.30270	1.3
352.05829	1.5
353.06519	3.2
355.08246	1.5
365.32043	4.0
367.08191	3.0
383.20770	3.2
407.36740	57.6
425.37842	8.7
437.15619	1.5
437.95557	1.1
451.84149	1.1
465.15308	1.7
481.18497	3.2
491.17178	8.3
509.18076	31.6
527.19135	1.6
565.21301	1.1
583.21863	2.5
601.41089	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	601.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70422	1.7
55.05519	15.2
57.03434	3.2
57.07066	5.8
65.03951	2.5
67.05183	2.2
67.05513	31.3
69.03400	1.8
69.07070	28.6
69.75876	1.5
69.76203	10.8
70.22176	1.7
71.01347	4.2
73.02915	5.5
79.05495	16.6
81.07066	50.5
83.08622	17.1
85.02913	17.9
91.05468	15.3
93.07055	43.4
95.01324	5.8
95.08619	100.0
97.02883	2.0
97.06538	2.3
97.10159	10.3
100.28242	1.7
101.02330	2.7
101.35679	1.6
105.07039	36.3
107.08603	65.7
109.10166	92.7
111.11697	9.7
113.02371	12.0
117.07045	4.1
119.08590	60.4
121.10152	60.0
123.11719	31.4
129.07030	2.5
131.03387	4.6
131.08580	10.3
133.10144	47.9
133.11115	3.6
135.11705	51.4
135.20744	1.8
137.05968	1.7
137.13274	12.6
139.92383	1.8
141.01825	12.4
143.08569	3.0
144.09309	2.0
145.10129	20.3
147.11699	40.8
149.13281	29.4
151.14796	2.4
157.10135	2.7
159.02957	3.7
159.11708	23.5
161.13278	39.3
163.14835	25.6
171.11719	4.1
173.13263	14.0
175.14835	28.1
177.16406	34.1
179.17989	4.5
185.13300	2.2
187.14841	23.5
189.16405	78.7
191.17970	64.6
199.14862	3.5
201.16408	25.1
203.17967	43.4
205.19563	21.7
207.17467	4.5
211.71179	1.8
213.16312	2.9
215.17949	20.6
217.19554	43.8
219.21011	8.0
227.17995	4.7
229.19522	20.4
231.21117	10.2
241.19513	3.7
243.21033	12.3
245.22647	8.0
255.21103	6.0
257.22711	15.6
259.24261	2.0
269.22720	6.0
271.24149	12.1
283.24350	3.1
285.25830	2.9
287.64389	1.8
297.25797	12.8
299.27295	1.9
311.27393	3.2
337.28906	2.7
365.32114	5.4
383.20898	4.6
407.36765	66.0
425.37744	12.1
509.17993	2.4
601.41498	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59011	1.6
54.31355	1.8
55.05511	11.5
55.13704	2.1
57.03434	7.0
57.07063	7.2
59.05004	18.7
59.64014	1.5
60.64759	1.4
67.05244	1.4
67.05511	16.7
69.03423	2.4
69.07072	72.7
71.05016	8.0
71.08620	3.0
72.64771	1.4
73.06583	1.8
79.05492	17.1
81.03412	1.7
81.07056	23.5
83.04971	4.9
83.08630	17.6
85.02880	2.2
87.04471	3.9
87.08088	2.1
89.06033	28.1
91.05467	3.9
91.38774	1.8
93.07047	29.8
95.04966	1.9
95.08613	26.4
97.06544	26.0
97.10131	2.9
99.08144	1.7
101.05995	4.6
103.07579	2.7
105.07057	3.7
107.08596	34.3
109.10171	14.6
111.08081	8.6
111.11736	8.6
115.07567	2.0
117.09123	6.0
133.08612	27.0
133.10095	3.3
135.11702	78.9
140.99268	1.5
149.13269	3.2
153.12753	100.0
167.14296	2.9
171.13811	95.4
177.11197	3.7
185.15349	2.8
197.15408	9.5
210.08098	1.7
211.16962	5.7
215.16493	2.0
221.13811	2.6
229.17989	35.6
238.47046	1.7
239.14911	14.2
243.19627	2.6
259.19296	1.9
285.03714	2.3
287.22205	23.1
297.19138	10.2
299.09027	1.9
327.05045	2.0
337.22281	1.9
341.06628	2.1
345.26184	1.8
355.23322	2.7
390.85568	1.8
490.12155	2.2
491.16782	6.1
509.18118	15.5
583.40540	2.1
600.12085	3.1
600.42261	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	600.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.07080	100.0
59.05009	32.2
66.21273	0.9
69.07069	3.1
69.63525	4.5
69.63941	2.6
70.06590	3.4
71.08640	99.4
79.05489	1.9
81.07073	2.0
83.08614	4.1
85.10190	87.3
87.04471	7.1
89.06040	70.7
89.35988	0.9
91.05490	1.2
93.07069	1.5
95.20617	1.0
97.10174	1.0
98.20651	1.3
99.11748	12.9
101.09641	1.8
103.07601	1.8
105.07028	3.2
107.07095	1.2
107.08608	2.1
109.10236	1.8
116.07101	4.5
117.09148	6.2
119.08597	2.0
121.10176	1.8
130.08659	2.0
131.07043	3.3
131.08601	1.2
133.08621	57.8
133.10202	2.5
141.16377	13.7
141.52451	1.0
143.08598	1.6
145.10126	2.2
155.17963	1.2
167.10699	1.2
175.09673	2.6
177.11229	21.1
191.12779	1.3
199.20576	27.6
221.13876	6.9
223.15158	1.8
239.14854	1.8
257.24805	12.4
265.16370	2.1
283.17398	2.1
309.19125	3.5
327.20148	23.6
355.95746	1.0
367.23297	3.3
370.28098	1.4
371.22739	3.0
385.24399	5.2
415.25372	2.3
425.27390	1.7
583.44116	3.6
600.47949	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05511	13.2
55.42196	1.3
57.03440	2.7
57.07062	5.1
65.03947	2.6
67.05508	28.6
69.07070	26.4
69.60308	2.9
69.60715	5.4
70.59765	1.3
71.01332	4.5
71.08633	1.4
73.02912	8.5
75.04411	1.2
79.05486	13.4
81.07063	46.2
83.08620	14.6
85.02911	16.9
91.05477	14.7
93.07046	35.3
95.01331	7.6
95.08614	100.0
95.64706	1.6
97.02892	2.6
97.10163	6.3
99.00828	1.6
101.02362	1.7
103.03951	1.6
105.07039	35.6
107.07875	2.9
107.08601	54.8
109.10161	76.8
111.08102	2.7
111.11702	4.3
113.02354	10.5
115.05460	1.8
117.07075	4.0
119.08592	57.1
121.10151	50.6
123.11714	32.7
125.13278	1.8
131.03421	3.9
131.08598	9.5
133.10139	48.6
135.11693	36.7
137.13298	8.1
141.01848	13.6
143.08572	2.4
145.10129	13.1
146.10797	1.7
147.11693	38.0
149.13255	20.8
151.14821	2.1
157.10109	2.4
159.02882	3.5
159.11711	20.9
160.12465	2.5
161.13272	37.3
163.14833	23.8
165.12737	1.8
171.11723	3.3
172.12477	1.7
173.13304	10.7
175.14835	24.1
177.16403	29.0
179.17966	4.5
183.11620	1.4
185.13290	1.7
187.14844	19.1
189.16399	70.1
191.17963	57.8
192.43413	1.5
199.14847	3.7
201.16409	24.3
203.17966	40.8
205.19525	20.2
207.17444	3.1
213.16351	3.1
215.17990	15.4
217.19534	33.6
219.21121	6.0
227.17967	4.1
229.19508	16.5
231.21150	9.2
241.19492	3.6
243.21143	9.8
245.22656	8.4
253.88443	1.6
255.21077	4.1
257.22662	15.3
269.22650	6.1
271.24106	10.2
276.01984	1.5
283.24243	3.1
285.25647	2.5
297.25891	11.2
365.31943	4.6
383.20575	4.6
393.05286	1.4
407.36768	58.4
408.47519	1.9
425.37933	8.5
509.17889	5.9
601.41235	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.7
51.02374	0.9
53.03949	1.9
55.01881	0.8
55.05519	4.6
57.07077	4.6
59.04995	1.5
62.23480	0.6
65.03930	1.4
67.05516	6.8
69.03439	3.8
69.07082	3.7
69.19484	6.4
70.06602	13.9
71.05013	0.9
77.03938	1.1
79.05503	10.7
80.06255	0.6
81.07070	10.8
83.05006	4.1
83.08628	2.3
85.06538	2.7
87.04473	0.9
89.06044	9.7
91.05490	16.4
93.07053	20.4
95.04967	7.1
95.08613	9.0
97.06528	2.7
103.05453	3.8
105.07041	100.0
106.84476	0.6
107.04981	1.2
107.08607	16.1
109.06541	5.6
109.10172	6.4
111.08100	1.7
115.05485	2.0
116.07104	18.8
117.07028	6.2
118.07802	0.7
119.04985	1.5
119.08593	25.6
120.09396	1.3
121.06520	13.1
121.10160	16.2
122.07302	0.6
123.08092	7.8
123.11703	1.2
125.05985	1.9
125.09646	2.8
128.06242	3.8
129.07010	6.8
130.07799	2.5
131.08589	12.4
133.06503	2.1
133.08661	4.0
133.10153	17.0
135.08067	7.8
135.11711	4.2
137.06000	0.9
137.09666	4.9
139.07602	1.2
141.06990	2.8
142.07774	8.1
143.08583	14.8
144.09366	3.8
145.06471	1.7
145.10135	17.4
146.07347	0.9
146.10861	0.9
147.08057	10.9
147.11732	4.9
149.09642	7.4
151.07565	5.3
154.07901	0.8
155.08575	6.5
156.09380	5.9
157.10155	24.2
158.10985	3.3
159.08072	5.6
159.11714	10.0
160.08780	1.5
161.09651	6.5
161.13309	3.0
163.07564	0.8
163.11195	5.6
165.07004	1.8
165.07677	0.8
165.09129	16.0
166.07828	1.1
167.08588	2.9
167.10699	4.7
168.09392	2.6
169.10135	8.5
170.10976	3.9
171.08141	1.1
171.11719	10.2
172.08751	0.8
172.12508	2.0
173.09663	3.7
173.13248	5.7
174.10468	1.0
175.09789	1.1
175.11214	7.2
175.14888	1.2
177.09210	1.3
177.11208	2.1
177.12721	1.4
179.08594	2.8
179.10680	2.5
180.09402	2.0
180.11604	1.4
181.08690	1.1
181.10162	5.2
181.12198	3.5
182.10934	3.0
183.11703	6.4
184.08806	0.7
184.12497	1.7
185.09631	1.3
185.13275	8.2
186.10405	1.1
186.14075	0.9
187.11206	3.4
187.14871	2.3
189.12787	3.6
190.13539	3.6
191.08620	0.6
191.10701	1.2
191.14359	1.5
192.09399	1.3
193.10164	4.7
193.12277	4.0
194.10916	3.0
195.11740	9.5
195.13689	1.2
196.12567	2.4
197.09686	1.4
197.11691	1.0
197.13280	7.4
198.10367	0.9
199.11227	2.7
199.14836	2.1
200.12001	0.7
201.12775	2.4
202.13480	0.8
203.14293	7.8
205.10211	1.1
206.10934	1.5
207.11728	4.5
207.13857	4.0
208.12531	1.8
208.14642	2.1
209.09793	0.7
209.13326	7.0
209.15265	0.9
210.10504	0.9
210.13965	1.3
211.11272	1.8
211.14851	4.8
212.11967	0.8
213.12758	3.6
213.16432	1.3
215.10741	0.8
215.14404	1.8
217.10213	1.2
217.12280	0.9
218.16682	0.9
219.11751	2.6
219.13867	1.9
220.12503	1.0
221.13278	3.8
221.15363	27.3
222.14006	1.0
223.11279	1.0
223.14816	4.6
225.12787	3.4
225.16393	2.2
227.14404	1.4
229.15875	0.9
231.11694	1.3
233.13229	2.9
233.15440	7.4
234.14026	1.0
234.16110	3.3
235.14938	3.2
235.17033	1.1
236.15417	0.9
237.12747	1.4
237.14705	11.3
237.16925	0.9
239.14406	1.7
239.18008	1.0
241.15868	1.2
243.13966	0.9
244.12505	0.7
245.13281	1.1
245.15515	0.8
246.14127	0.9
247.14731	2.0
247.17003	3.0
248.13898	4.8
249.16443	2.5
250.15665	1.1
251.14281	1.5
253.15967	3.1
255.17451	8.1
259.17004	1.0
261.16379	1.8
263.14139	0.6
263.17990	2.1
265.15887	1.2
267.17657	0.8
268.18268	1.0
269.15717	0.9
269.19101	2.0
270.19873	2.2
271.15314	19.7
273.18723	1.0
274.19412	3.9
277.19421	1.1
279.17532	1.9
281.19095	1.7
285.18698	1.6
286.19400	5.5
287.20081	2.9
293.18903	0.9
294.19839	2.0
297.18576	1.9
299.20197	4.7
303.19601	15.9
307.20554	1.4
309.18466	0.7
311.20129	1.4
312.20856	2.0
313.21738	3.7
319.20602	1.0
325.21732	5.9
327.17368	0.7
333.22046	0.7
337.21719	3.7
347.23874	0.8
352.24002	30.3
361.73373	0.8
365.24850	6.8
375.21713	19.1
377.25064	2.0
383.25754	1.9
387.26651	0.7
412.18454	0.7
420.30502	1.2
479.28070	2.4
487.32220	0.8
502.34344	2.3
503.35092	2.1
505.32892	1.1
507.34946	4.2
508.35364	1.0
520.35565	17.0
529.61469	0.7
564.39111	0.8
567.38593	1.1
582.40631	1.5
585.38989	1.9
600.41754	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	600.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32739	1.9
50.51374	2.0
51.02376	2.3
51.27530	2.1
53.03938	7.2
55.05513	20.6
57.07069	7.6
59.05001	4.9
65.03938	5.5
67.05178	2.7
67.05509	33.2
69.03444	15.4
69.07070	19.9
71.04987	8.1
77.03925	2.2
79.05499	42.3
80.06311	2.3
81.06596	2.6
81.07064	46.7
83.04993	17.4
83.08620	12.3
85.02917	3.2
85.06560	11.1
87.04459	7.5
89.06042	2.4
91.05486	62.1
93.07047	70.7
95.04966	22.0
95.08615	34.9
96.05742	2.5
97.06543	15.6
97.10188	2.4
98.20785	4.8
101.19707	2.3
103.05465	5.6
105.07039	100.0
106.07838	3.9
107.04984	4.4
107.08605	67.5
109.06537	18.0
109.10165	34.5
111.08084	8.6
113.09634	6.9
115.05456	9.8
116.06342	2.4
117.07030	27.8
119.06071	2.4
119.08590	88.8
120.09358	3.2
121.06557	12.8
121.07252	2.2
121.09328	4.4
121.10153	57.0
123.08078	33.6
123.11687	5.2
125.06009	2.5
125.09630	15.4
128.06218	17.2
129.07011	29.1
130.07805	11.0
131.08577	52.5
132.09381	3.9
133.06499	5.9
133.10144	53.3
135.08092	21.3
135.11705	12.6
137.09607	14.2
139.11208	3.8
141.06976	12.9
142.06772	3.1
142.07791	36.3
143.08571	58.3
144.09351	15.3
145.06526	9.0
145.10136	75.5
146.07268	2.5
146.10855	4.0
147.08061	18.7
147.10857	2.1
147.11711	24.6
149.09625	20.1
149.13229	3.3
151.07545	7.6
151.11156	3.5
153.07036	5.4
154.07741	5.9
155.08577	23.7
155.10663	12.1
156.09370	31.1
157.10136	74.2
158.10918	12.9
159.08073	25.3
159.11710	52.6
160.08836	7.9
161.09610	18.2
161.13271	9.6
162.10406	2.8
163.11174	14.0
165.06995	9.5
165.09099	11.7
166.07785	6.7
167.08543	15.3
167.10683	20.1
168.09328	7.9
169.10138	35.1
170.10898	13.9
171.11707	51.4
172.08871	3.2
172.12450	5.0
173.09619	14.3
173.13264	28.1
175.11186	20.5
175.14789	7.4
177.09074	4.0
177.12753	5.5
178.07729	3.0
179.08598	20.2
179.10059	2.7
179.10559	1.8
179.14333	2.5
180.09331	7.6
181.10130	23.0
181.12224	3.3
182.10922	14.5
182.12346	2.3
183.11697	37.0
184.12482	6.1
185.09607	5.8
185.13229	26.5
186.10315	3.1
186.13988	5.3
187.11249	11.8
187.14804	8.9
189.12743	8.8
190.13559	5.9
191.14325	6.6
192.09332	5.9
193.10162	21.9
193.12123	5.3
194.10951	10.7
195.11707	32.5
196.12489	13.0
197.09663	5.3
197.13258	34.9
198.10521	2.4
198.13977	3.8
199.11130	10.8
199.14838	15.1
201.12808	8.6
201.16344	2.9
203.14359	18.5
205.10143	6.1
206.10944	8.6
207.11699	25.4
207.13857	6.5
208.12500	13.3
209.13330	27.4
209.15237	3.5
210.14012	8.5
211.11159	6.7
211.14806	26.5
212.11952	2.6
213.12840	11.1
213.16417	8.7
214.13466	3.1
215.14337	13.8
217.10242	5.1
217.15993	3.4
218.11008	2.8
218.16710	3.8
219.11797	10.4
219.13559	3.0
220.12454	6.6
221.13264	18.5
221.15407	32.8
222.14070	6.5
223.11124	2.9
223.14842	21.8
225.12863	11.9
225.16417	9.6
226.13608	2.9
227.14366	8.1
229.15849	3.7
231.11752	4.2
231.13928	2.7
232.12471	4.1
233.13258	8.1
233.15407	25.5
234.14081	4.5
234.16162	9.7
235.14912	15.6
236.15680	3.0
237.12717	3.9
237.16519	15.0
239.14351	3.9
239.18069	4.9
241.15891	6.7
243.11609	3.2
245.13214	5.6
245.15491	5.2
246.13986	4.3
246.16252	4.9
247.14799	6.4
247.17021	3.4
249.16417	7.3
251.14203	3.5
251.18004	7.6
253.15936	5.7
253.19585	2.1
255.17484	35.8
257.13098	3.7
257.19016	3.7
259.14786	7.0
259.17157	3.8
260.15509	3.8
261.16425	7.0
263.14493	2.3
263.17920	8.0
265.15948	3.0
265.19537	4.2
267.17410	6.6
268.18140	3.5
269.18973	10.8
270.19745	9.6
271.14767	3.8
272.15463	2.3
273.16171	4.2
273.18762	5.2
275.17749	4.8
277.19461	3.9
279.17444	3.2
281.18970	10.0
282.19702	4.6
283.14847	3.2
283.20557	4.0
285.18594	6.5
286.19449	5.2
287.20074	7.1
289.19388	5.9
291.17343	3.3
294.19778	2.9
295.20642	5.4
297.18558	4.0
299.20093	7.7
300.20721	2.6
303.19571	4.2
307.20624	4.7
313.21680	3.2
319.20584	2.4
325.21799	3.2
333.21860	3.2
334.22891	3.2
347.23822	8.7
348.24356	2.6
351.23022	2.7
352.23981	7.8
359.23724	3.2
360.24478	3.7
361.25235	3.8
365.24725	9.0
383.25616	11.2
389.24481	2.7
439.29547	2.3
470.89609	2.0
503.35358	2.6
520.35431	6.2
549.37170	2.5
567.38586	4.8
582.40649	3.2
585.39142	3.0
600.41461	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01888	2.2
55.05513	6.9
57.07087	13.3
57.63026	1.8
59.05017	2.7
67.05512	13.8
69.03439	12.2
69.07069	7.4
71.08607	3.5
71.52679	2.9
79.05504	12.8
79.61610	1.4
81.07073	16.3
83.04987	7.2
83.08621	3.9
85.06552	6.3
85.10185	2.3
86.48215	1.7
89.06040	5.9
91.05493	27.4
91.06022	2.6
92.06274	2.4
93.07057	29.8
95.04992	9.3
95.08614	22.5
97.06547	5.0
102.09170	2.9
105.07042	51.9
106.07801	2.6
107.08607	21.1
109.06532	10.7
109.10186	5.9
111.08061	2.2
115.05461	3.3
117.07047	14.6
119.04935	2.1
119.08594	59.6
120.09373	3.4
121.06506	8.0
121.10145	26.0
122.07330	2.4
123.08086	18.9
123.11766	2.0
125.06003	10.3
128.06238	3.2
129.07053	8.9
131.08591	21.9
132.09370	3.5
133.06514	4.0
133.08673	4.2
133.09164	1.7
133.10143	22.1
135.08081	17.0
135.11728	7.6
137.05974	5.6
137.09634	13.0
139.07553	2.8
139.11215	1.9
141.07033	4.7
141.99730	1.5
142.07802	10.7
143.08572	21.7
144.09340	7.0
145.06488	2.2
145.10130	36.4
146.10802	2.0
147.08060	28.6
147.11691	6.1
148.08510	1.8
149.09612	12.1
151.07561	10.3
151.11198	1.8
153.07069	2.3
154.07726	2.1
155.08592	7.8
156.09337	6.7
157.10146	35.7
158.10910	5.6
159.08107	6.2
159.11732	23.4
159.55969	1.8
161.09653	11.3
161.13251	7.0
163.11212	19.2
164.12178	1.9
165.07054	2.9
165.09128	49.6
166.09479	4.3
167.08495	4.2
168.09346	3.2
169.10179	12.3
170.10861	5.7
171.11710	15.7
172.12422	4.6
173.09633	8.1
173.13283	8.9
175.11203	18.2
175.14793	3.0
177.09195	4.0
177.11336	2.4
177.12793	2.1
178.09927	3.0
179.08620	2.6
180.09396	2.3
180.11494	4.5
181.10158	6.0
181.12213	17.2
181.13539	2.1
182.10863	2.8
183.11728	14.5
184.12402	3.5
185.09688	4.2
185.13304	8.3
187.11205	6.3
187.14828	4.1
189.12772	7.1
190.13548	7.7
191.10724	3.8
193.10168	4.9
193.12270	13.2
194.10928	3.0
195.11725	8.2
195.13690	3.6
196.12598	1.7
197.09711	2.2
197.13293	10.1
199.11165	6.0
199.14848	2.1
201.12801	7.9
203.14305	19.8
204.14711	2.3
205.10344	2.0
205.12209	2.7
206.11238	1.8
207.11684	5.1
207.13866	10.5
208.12534	4.6
208.14607	9.4
209.13240	9.1
209.15096	2.0
210.13910	2.5
211.11258	3.7
211.14839	6.8
212.12035	1.7
213.12807	5.8
213.16336	2.6
215.14334	2.6
219.11917	2.0
219.13849	8.2
220.12491	2.7
221.13440	3.7
221.15378	100.0
221.98065	2.1
222.15770	12.5
223.14764	5.4
224.15527	2.1
225.12778	3.9
225.16467	3.5
227.14368	4.8
229.15887	3.2
231.13782	3.4
233.13301	2.2
233.15376	3.9
234.16185	15.8
235.14774	2.1
237.12752	4.6
237.16333	1.8
239.14485	3.2
241.16077	3.1
243.13588	2.9
247.14697	2.6
247.16988	29.9
248.17532	2.7
249.12755	1.9
249.16397	2.5
253.15924	4.3
259.16986	5.0
267.17578	2.8
269.15274	3.0
273.18515	3.7
274.19244	16.4
277.19641	1.8
279.17410	2.2
281.19006	4.4
283.26462	2.4
285.18478	2.6
286.19336	3.7
287.20181	12.2
297.18445	3.2
299.20071	16.6
300.20786	2.5
309.18497	1.7
310.19043	2.8
311.20282	4.1
312.20895	10.4
313.21790	9.2
325.21594	17.1
326.22568	2.0
327.23047	3.9
337.21741	2.6
339.23230	7.4
340.24045	20.7
352.24023	27.8
359.23364	2.1
365.24658	3.4
366.25531	4.5
377.25009	2.6
379.26328	5.4
387.25330	3.9
391.26447	3.4
392.26828	4.2
400.26169	3.7
413.26898	8.3
418.17581	1.9
419.29764	8.6
420.30356	3.1
425.26874	9.2
426.27603	4.2
427.28366	18.1
440.29251	55.1
440.35382	2.9
442.30658	4.8
454.30957	3.3
505.32874	2.3
507.34869	3.1
508.35425	5.6
520.35608	37.1
520.43146	3.7
582.40320	1.9
585.39392	3.4
600.32068	2.7
600.41571	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
53.34492	1.8
55.01865	3.2
55.05519	14.2
57.03461	2.3
57.07075	16.3
59.05022	9.4
65.03939	4.4
67.05509	23.4
69.03428	15.0
69.07078	10.2
71.05022	2.2
71.08631	5.4
73.59796	1.8
77.03941	2.1
79.05499	33.6
80.06265	2.0
81.07064	33.8
83.04989	12.7
83.08627	6.7
85.02897	2.2
85.06547	5.0
85.10210	2.3
89.06023	10.2
91.05486	46.9
93.07050	65.4
93.07644	3.4
95.05000	16.3
95.08616	31.9
97.06540	11.3
98.21500	4.7
103.05488	2.9
105.07037	90.9
107.04950	3.0
107.07876	3.2
107.08603	52.8
109.06544	16.4
109.10152	16.3
111.08056	6.6
112.34441	1.8
115.05467	7.6
116.06239	2.4
117.07020	19.8
119.04941	1.8
119.08588	75.9
120.09375	3.0
121.06522	12.0
121.10153	42.8
122.07303	2.4
123.04381	1.9
123.08064	30.7
123.11700	3.0
125.06062	4.1
125.09631	6.2
128.06223	11.4
129.07021	26.0
130.07780	7.6
131.08585	38.5
132.09334	3.7
133.06580	8.8
133.07472	2.3
133.08620	3.8
133.10135	40.3
135.08051	25.3
135.11720	14.0
137.06015	4.1
137.09616	11.6
139.07555	3.8
141.07008	8.7
142.07791	25.6
143.08578	51.1
144.09384	11.8
145.06509	5.2
145.10129	51.2
146.10851	2.4
147.08046	31.4
147.11711	16.6
148.08832	3.4
149.09650	15.1
151.07559	19.2
151.11160	3.5
153.07030	2.5
153.09084	2.0
154.07864	4.4
155.08563	20.4
156.09361	22.0
157.10141	69.0
158.07274	2.7
158.10941	11.2
159.08102	15.5
159.11707	32.9
160.08792	4.5
160.12247	2.5
161.09669	18.8
161.13234	9.6
162.10394	2.7
163.11195	20.6
165.07004	6.0
165.09126	44.0
166.07846	2.8
167.08553	10.1
167.10686	11.3
168.09369	8.5
169.10143	26.9
170.10913	14.3
171.08057	3.7
171.11687	35.8
172.08821	3.1
172.12418	6.0
173.09669	14.8
173.13240	15.1
175.11214	25.8
175.14850	5.9
177.09151	4.2
177.11266	2.4
177.12747	3.8
178.07819	3.1
178.09886	2.3
179.08618	11.1
179.10715	5.2
180.09358	8.2
180.11388	3.4
181.08647	2.8
181.10112	15.3
181.12207	9.8
182.10907	6.9
183.11711	24.1
184.12442	4.4
185.09633	6.5
185.13277	20.8
186.14034	4.5
187.11226	10.9
187.14807	8.1
189.12743	11.9
190.13484	8.7
191.10789	3.9
191.14301	5.1
192.09377	4.4
193.10283	12.7
193.12077	12.7
194.10924	7.7
194.20737	1.8
195.11713	20.8
196.08754	1.9
196.12437	8.0
197.09644	3.2
197.11656	3.7
197.13292	19.1
199.11232	7.2
199.14816	6.5
200.12006	2.5
201.12796	7.0
203.14314	27.6
205.10170	4.0
205.12248	2.3
206.10913	4.2
207.11696	14.9
207.13823	16.5
208.12529	8.2
208.14632	12.1
209.09760	1.8
209.13271	19.2
209.15375	5.4
210.10347	2.1
210.14027	4.8
211.11165	4.1
211.14842	11.0
212.11897	3.1
213.12682	9.7
213.16290	4.2
215.10759	2.5
215.14340	6.4
217.10205	2.0
217.12296	3.7
217.15884	2.1
218.10962	1.9
218.16594	2.3
219.11703	5.7
219.13850	6.3
220.12500	3.6
221.13275	12.8
221.15349	88.5
222.14015	4.0
222.15945	2.4
223.11224	3.7
223.14816	8.3
225.12840	8.5
225.16391	6.7
227.14333	5.7
229.10136	2.6
229.12224	2.8
230.13077	3.9
231.11719	2.5
233.13326	4.9
233.15355	22.6
234.14017	2.4
234.16077	9.2
235.14836	10.7
235.16896	2.8
237.12724	4.8
237.14706	36.9
237.16840	2.7
238.17279	3.2
239.14420	4.1
241.15990	4.3
243.13831	2.7
245.13205	5.0
245.15465	2.6
247.14839	5.6
247.16988	8.3
247.89729	1.8
248.13963	11.8
249.12614	2.4
249.16370	7.2
250.15985	1.9
251.14259	3.5
253.15871	8.3
255.17430	25.8
257.15491	2.8
259.14697	2.6
261.12857	1.8
261.16391	8.3
263.17935	3.2
265.15848	2.6
267.17471	2.7
268.18259	3.1
269.18927	4.1
270.19766	10.0
271.16974	5.9
273.18619	3.9
274.16974	1.7
274.19403	13.4
277.15686	1.8
277.19540	2.9
279.17535	6.0
281.19009	5.4
285.18604	4.3
286.19308	16.3
287.20218	9.0
289.19409	2.2
291.17477	2.8
292.18219	2.3
293.19104	3.1
294.19763	9.6
295.20648	4.4
297.18484	6.2
298.19260	3.2
299.20273	14.2
303.19586	56.9
307.20642	3.8
309.18729	2.7
309.22266	3.6
311.20181	2.8
312.20786	3.8
313.21786	20.3
319.20419	3.6
325.21732	15.7
328.24670	2.3
331.20596	2.1
337.21872	10.2
347.23779	2.1
352.23990	100.0
355.89426	1.7
359.23508	2.7
363.23242	2.7
365.24869	20.5
377.24991	5.1
378.25809	2.2
383.25873	4.7
391.26086	2.2
402.28644	1.9
413.26187	2.1
420.30310	4.0
439.27817	2.1
487.31400	2.8
490.34656	2.9
502.34662	12.6
503.35153	5.0
505.33002	7.6
507.34766	13.0
508.34433	3.6
520.35522	59.6
567.37848	3.1
582.40533	5.9
583.41449	3.2
585.39545	3.4
600.41541	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05521	6.7
57.07083	13.5
59.05000	4.7
60.09848	1.7
65.03928	2.6
67.05515	12.4
69.03436	8.6
69.07065	6.8
69.22190	10.3
70.06593	1.8
79.05504	16.1
80.06264	1.6
81.03410	2.2
81.07065	21.8
83.04983	8.5
83.08627	3.8
85.06546	6.2
89.06048	4.7
91.05489	26.5
92.06281	2.8
93.07058	35.0
95.04975	10.5
95.08623	21.5
97.06529	5.0
100.11280	2.1
103.05430	1.6
105.04557	1.5
105.07040	51.8
106.07849	2.6
107.04951	1.3
107.08607	21.6
109.06514	12.9
109.10173	9.0
111.08092	1.8
115.05489	4.4
116.07072	1.6
117.07036	12.4
119.08595	56.5
121.06540	8.1
121.10160	23.6
122.07295	1.6
123.08067	20.1
123.11714	1.9
125.05994	11.6
128.06242	3.6
129.07025	8.6
130.07788	5.1
131.08575	24.6
132.09355	3.0
133.06503	5.1
133.08627	3.6
133.10123	24.0
134.10883	2.5
135.08076	21.4
135.11697	9.1
137.05997	2.6
137.09630	13.7
139.07547	2.1
141.07030	2.8
142.07784	10.7
143.08580	21.4
144.09358	7.3
145.06502	3.3
145.10132	37.5
146.10594	2.8
147.08060	30.1
147.11696	8.5
148.08505	2.5
149.09631	13.4
151.07559	14.6
154.07782	2.0
155.08543	12.3
156.09369	9.4
157.10149	36.3
158.10941	6.3
159.08119	7.3
159.11713	29.5
160.08878	2.9
160.12463	1.5
161.09630	11.3
161.13322	5.0
162.10527	1.7
163.07555	2.1
163.11201	21.5
165.07028	2.1
165.09128	53.9
166.09485	6.0
167.08572	4.3
168.09334	4.0
169.10118	13.4
170.10886	4.4
171.08075	2.8
171.11725	17.6
172.12463	4.4
173.09631	9.0
173.13251	7.2
174.10356	1.8
175.11208	22.1
175.14856	1.8
177.09152	5.9
177.12762	1.4
178.09891	3.2
179.08533	3.6
179.10716	2.2
180.09322	2.6
180.11441	4.1
181.10274	7.8
181.12247	18.8
182.10909	5.5
182.12479	1.4
183.08128	1.7
183.11708	14.7
184.12405	3.6
185.09724	2.8
185.13281	10.7
186.10344	1.5
186.13989	1.6
187.11230	7.1
187.14838	4.8
189.12738	8.6
190.13527	9.7
191.10669	8.2
191.14362	1.8
192.09425	1.5
192.11244	1.3
193.10178	4.8
193.12286	15.0
194.10982	2.9
195.11737	11.4
195.13800	2.5
196.12471	3.4
197.09631	3.6
197.13268	11.5
198.10373	1.7
198.14055	2.6
199.11212	6.6
199.14876	3.2
201.12749	10.7
202.65591	1.3
203.14310	22.3
204.14668	1.9
205.10101	1.8
205.12212	2.1
206.11015	1.9
207.11771	5.1
207.13852	13.2
208.12630	2.9
208.14604	10.3
209.09743	2.0
209.13310	6.6
209.15225	1.8
210.13902	3.3
211.11266	4.5
211.14867	8.8
212.15617	2.2
213.12737	6.3
213.16428	1.5
215.14384	3.0
216.15088	2.3
217.10176	1.5
217.12241	1.7
219.11922	2.4
219.13791	9.0
221.13353	5.5
221.15381	100.0
222.15744	13.3
223.11200	1.4
223.14865	4.2
225.12775	4.6
225.16425	4.1
227.14351	4.4
227.17976	1.5
229.15944	3.1
231.13847	3.4
233.13315	3.5
233.15465	4.3
234.13921	3.3
234.16115	22.1
234.18138	2.1
235.14891	3.6
237.12837	4.1
237.16510	3.4
239.14418	2.5
239.17964	2.0
240.18788	1.7
241.15973	3.0
243.13829	1.7
245.15422	3.1
247.14526	2.5
247.16971	32.2
248.17532	4.1
249.16380	1.6
250.17099	1.5
251.14410	3.6
253.16029	2.8
255.17551	1.7
257.15463	2.2
259.17035	4.8
261.18637	3.3
263.18112	1.8
265.15970	2.1
265.19238	1.4
267.17538	1.7
269.15509	2.8
269.18945	1.9
271.17041	3.9
273.18433	1.7
274.19357	13.6
279.17548	1.9
281.15613	1.4
281.19037	2.6
283.17014	1.9
283.26407	3.8
285.18579	3.7
286.19434	4.5
287.20050	13.0
291.17520	2.0
294.19849	1.3
297.18735	2.9
298.19257	1.8
299.20062	16.9
300.20947	2.0
301.16461	1.7
307.20734	2.1
309.18530	2.0
310.19446	1.6
311.20093	5.5
312.20966	8.2
313.21609	8.6
319.20483	1.5
321.18359	1.4
323.20334	1.3
325.21661	13.6
326.22321	2.1
327.23236	2.1
333.22131	1.7
337.21683	4.7
339.23291	5.6
339.28906	2.2
340.23947	17.6
341.89380	1.3
351.23495	2.1
352.19647	1.2
352.24005	33.0
353.24707	1.4
365.24780	5.2
366.25491	4.1
377.24884	3.5
379.26443	4.0
387.25333	4.9
390.00360	1.3
390.25504	1.6
391.26324	6.5
392.27115	5.4
400.26300	3.3
413.26999	7.4
419.29544	9.5
420.30331	5.1
424.26187	1.6
425.26822	10.7
426.27844	6.7
427.28525	17.5
428.28665	1.9
440.29285	48.8
442.30975	3.6
454.30667	2.4
493.33469	1.6
505.33102	1.8
507.34836	4.2
508.35251	6.0
520.35553	44.2
521.36346	3.4
585.39893	3.2
600.41553	51.5
600.55359	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
54.22689	2.5
55.01869	3.7
55.05525	12.9
57.03432	3.4
57.07084	14.0
59.04989	6.9
67.05510	17.0
69.03432	10.3
69.07078	14.2
69.82323	9.4
69.82727	5.8
71.08626	3.5
76.37791	2.4
78.16035	2.3
79.05498	18.3
81.07054	27.4
83.04979	7.9
83.08601	7.9
85.06544	6.2
86.26358	2.7
89.06036	11.8
90.45622	2.4
91.05486	28.0
93.07045	45.1
95.04968	11.2
95.08616	28.6
96.08998	2.7
97.06533	7.2
100.07614	2.8
101.07872	2.6
105.07029	55.3
106.07867	3.2
107.05004	2.8
107.08605	28.6
109.06559	13.9
109.07178	2.5
109.10155	9.8
111.08110	4.1
115.05432	3.8
116.07171	3.1
116.44598	2.7
117.07033	21.3
119.08590	65.6
119.09386	5.5
121.06501	6.8
121.10164	29.3
123.08056	16.9
123.11678	4.4
125.05975	14.0
128.06181	3.6
129.07027	13.3
130.07770	3.5
131.08565	29.0
132.09274	3.6
133.06450	4.8
133.08615	4.8
133.10146	31.1
135.08063	22.7
135.11667	11.5
136.08864	2.7
137.09586	14.9
139.07631	3.1
142.07776	12.1
143.08560	26.3
144.09314	10.5
145.10126	44.6
145.87494	3.2
146.08124	4.4
146.10828	2.8
147.08044	27.6
147.11722	14.3
149.09657	14.7
151.07547	9.8
151.11142	4.4
153.06963	2.9
155.08554	10.5
156.09375	11.0
157.10136	34.2
158.10876	8.0
159.08070	9.3
159.11697	32.4
160.08829	3.3
161.09647	12.5
161.13271	5.1
163.11171	25.2
165.07021	3.6
165.09113	42.2
166.09451	2.7
168.09311	4.2
169.10156	13.7
170.10878	5.8
171.11687	22.1
173.09695	6.9
173.13268	11.6
175.11188	21.1
175.14819	5.1
177.09055	3.2
179.10698	4.3
180.11465	6.5
181.10146	8.8
181.12227	18.4
182.10880	5.1
183.11688	17.6
185.13248	9.3
187.11192	8.1
187.14809	5.8
189.12773	6.8
189.16402	3.7
190.13519	9.6
191.10658	5.8
193.10074	3.7
193.12260	10.7
194.10876	3.5
195.11681	8.2
195.13887	4.3
196.12546	4.6
197.13315	13.7
199.11075	6.0
199.14854	4.5
201.12746	9.4
203.14317	16.7
206.10974	3.3
207.11676	7.1
207.13814	10.9
208.14633	10.0
209.13277	13.8
211.11128	6.1
211.14841	10.3
213.12747	5.0
215.14308	6.6
219.13863	7.6
221.13324	7.6
221.15352	100.0
222.15785	7.7
223.14748	6.7
225.12834	3.0
225.16409	4.5
227.14349	3.3
229.15880	4.9
233.15448	6.1
234.16069	23.6
237.12697	3.6
237.16461	5.1
239.14520	3.2
243.13922	4.1
247.14758	4.9
247.16963	31.8
248.17699	4.3
253.15923	4.4
259.16919	5.5
271.17084	6.5
274.19315	12.9
279.17502	3.6
281.18945	3.7
286.19302	3.9
287.20074	10.4
293.70004	3.0
297.18436	4.8
299.20181	17.9
300.20676	4.7
307.20297	4.0
311.20053	5.6
312.20807	9.3
313.21567	7.5
325.21637	18.5
327.23346	4.4
337.21411	8.1
339.23083	5.3
339.28806	6.9
340.23840	16.2
352.23990	38.8
365.24707	6.7
366.25870	3.4
369.20538	3.4
370.20926	7.4
379.26453	3.9
380.19534	5.3
387.25546	5.5
400.26004	2.8
411.18347	3.7
415.25330	5.7
419.29449	12.8
420.29797	4.5
425.26871	10.1
426.19864	10.5
426.27594	5.8
427.28412	17.0
440.29187	55.1
452.21603	9.2
477.69641	2.8
485.24637	3.3
505.33478	4.3
507.34705	4.6
508.35181	10.1
512.23541	6.0
513.24377	20.3
520.35461	50.0
539.22089	2.8
540.23340	19.5
550.41180	3.1
582.39838	3.1
600.25513	65.6
600.41095	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.3
53.03965	2.5
55.05502	8.7
57.07071	14.3
59.04980	3.7
60.50175	2.1
65.66821	2.0
67.05505	15.0
69.03434	11.6
69.07058	8.9
69.19254	12.6
69.19678	7.6
71.08652	3.5
73.96540	2.0
79.05503	13.2
81.07058	20.2
83.04984	9.7
83.08614	8.7
85.06548	5.9
89.06033	7.6
91.05482	34.6
93.07050	37.2
95.04964	11.0
95.08603	24.6
97.06526	6.3
98.20748	4.8
100.11263	8.7
103.05518	2.7
105.07036	49.5
107.08605	26.9
109.06504	13.9
109.10178	10.4
115.05547	2.9
117.06998	12.5
119.08585	54.0
120.09361	2.6
121.06506	5.5
121.10148	27.7
123.08069	19.8
125.05991	9.0
128.06219	5.9
129.07022	9.4
130.07774	5.4
130.08679	3.0
131.08560	23.2
132.09378	4.3
133.06485	4.0
133.08597	3.0
133.10130	26.7
134.10837	3.3
135.08087	15.6
135.11662	7.6
136.08891	3.3
137.05931	3.7
137.09641	12.7
139.07417	2.5
141.07019	4.5
142.07806	11.0
143.08575	20.3
144.09293	5.1
145.06491	6.4
145.10130	44.5
147.08061	30.4
147.11678	7.7
149.09575	10.4
151.07552	9.1
155.08557	13.0
156.09352	7.5
157.10153	35.1
158.10912	4.8
159.08075	9.0
159.11716	19.1
160.08835	10.3
161.09676	12.2
161.13272	6.6
163.11200	22.9
165.07019	3.7
165.09134	38.7
166.07845	2.7
166.09444	2.4
167.08649	3.0
168.09251	3.3
169.10138	10.7
170.10875	7.6
171.11722	20.4
172.12537	5.0
173.09630	8.6
173.13258	9.4
174.10422	2.3
175.11191	20.4
175.14696	3.0
177.09192	2.7
177.11180	3.3
179.76495	2.3
180.11353	3.6
181.10146	5.9
181.12238	23.8
182.10858	6.4
183.11716	17.5
184.12421	3.1
185.09644	5.3
185.13228	8.5
186.14006	3.1
187.11172	5.8
187.14874	4.1
189.12759	9.6
190.13580	12.9
191.10710	4.2
191.14331	3.1
193.10220	4.9
193.12236	13.1
195.11713	10.7
195.13637	4.4
196.12534	5.5
197.09637	3.1
197.13251	12.9
198.13931	2.6
199.11166	6.7
201.12642	10.6
203.14313	16.2
207.11676	8.1
207.13814	12.1
208.12656	3.0
208.14607	10.1
209.13277	8.7
209.15128	2.8
211.14859	7.3
213.12741	6.7
215.10666	2.6
215.14151	3.4
219.03537	2.6
219.11763	3.2
219.13817	7.6
221.13373	6.6
221.15372	100.0
222.15747	8.2
223.14824	3.2
225.12700	2.9
225.16293	3.8
227.14427	3.0
229.15886	3.3
231.13890	2.6
233.15352	5.3
234.16113	22.7
235.14825	4.8
237.12704	5.5
239.14214	4.9
239.18227	2.6
247.14662	2.0
247.16936	30.4
248.17563	3.6
249.16335	2.8
250.17413	2.1
251.18060	3.1
253.15881	5.6
257.15335	2.3
259.17096	4.3
267.17419	2.6
269.19238	3.0
271.16843	2.6
274.19193	14.4
281.19009	2.8
285.18643	3.9
286.19299	8.2
287.19980	12.4
299.20074	21.8
300.20901	5.4
311.20251	3.3
312.20865	10.9
313.21573	9.6
325.21606	16.2
326.22205	3.2
337.21429	6.4
339.23322	6.1
340.23962	22.2
351.23016	2.5
352.23926	34.1
365.24615	3.8
366.25546	4.9
379.26334	7.6
387.25320	4.7
391.26498	5.4
392.26978	4.6
413.26801	6.2
415.25018	3.1
419.29520	14.2
420.30005	5.5
425.26810	9.7
426.27612	6.0
427.28424	16.0
440.29221	59.7
440.35303	3.4
442.30627	3.0
507.34573	3.1
508.35394	5.7
520.35425	50.2
585.39307	3.2
600.41583	44.2
600.55475	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	600.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43525	0.3
52.63133	0.3
57.03447	0.5
57.39023	0.3
58.64810	0.3
59.91838	0.3
61.02922	0.4
61.29370	0.3
61.58128	0.3
67.04243	0.4
69.03452	0.9
69.07063	0.3
69.16978	0.6
69.17389	2.4
70.06601	0.6
71.76292	0.4
79.05485	0.4
80.44013	0.3
81.03423	0.8
81.96268	0.3
82.06603	1.4
85.02905	2.2
87.73725	0.3
88.04003	1.3
89.08614	0.4
91.05503	1.2
95.04983	1.2
95.08619	0.3
97.02909	1.1
97.06528	0.7
98.06062	7.1
105.07062	0.6
107.04993	0.6
107.08582	0.3
109.02871	0.5
115.05476	1.0
116.06299	0.6
116.07104	2.0
117.07030	0.9
120.77555	0.3
121.06453	0.4
124.46205	0.3
126.05515	0.7
127.03915	0.6
127.37357	0.3
128.06232	1.9
129.07021	5.2
131.04965	0.4
131.08568	5.3
131.40482	0.3
133.06516	1.2
133.10143	0.4
135.04385	0.3
136.06190	2.2
137.05984	0.6
141.06985	1.9
142.07782	0.6
143.08575	1.3
144.06575	46.2
145.06506	1.6
146.07234	1.1
147.04399	0.4
153.06969	0.8
156.05681	0.5
157.06491	2.7
158.07256	0.5
159.08073	9.6
161.05975	0.8
161.09608	2.5
162.07645	0.4
165.17419	0.3
167.07036	1.3
169.06387	0.3
169.07701	1.4
170.07272	1.8
171.08040	1.9
172.05193	0.8
173.05992	1.6
174.06761	0.5
175.07564	0.8
178.06250	0.5
187.07553	7.2
188.08205	0.3
189.05440	0.5
189.09146	3.5
191.07178	0.5
193.08524	0.4
198.06793	0.7
199.07587	1.3
203.07025	1.3
204.07837	5.4
205.08620	0.8
207.10097	0.4
216.07845	1.1
217.08598	0.6
218.09435	0.3
219.10187	2.1
221.11772	1.8
231.10153	2.5
233.11768	0.8
234.08911	0.5
237.11189	1.0
247.17117	0.4
249.11235	100.0
250.11581	0.7
250.14330	0.6
267.12350	1.8
334.19949	0.4
352.21213	8.9
575.96307	0.3
600.26697	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01859	0.2
55.05498	0.3
57.03435	0.2
61.53591	0.1
67.04261	0.8
67.05479	0.2
68.05008	0.2
69.03439	0.7
69.07059	0.5
69.68958	0.8
70.06600	1.4
71.04988	0.1
73.02917	0.3
80.05007	0.4
81.03408	0.5
81.07036	0.2
82.06125	0.3
82.06583	2.8
84.08127	0.6
85.02900	0.9
87.00830	0.2
88.03494	0.2
88.03994	2.4
91.05470	0.3
93.07031	0.3
94.06599	0.2
95.04965	1.6
95.08632	0.2
96.08114	0.3
97.02901	0.4
97.06535	0.4
98.06060	14.0
99.04452	0.3
105.01815	0.2
105.07043	0.2
107.04967	0.3
107.08563	0.3
108.04514	0.2
109.02882	0.5
109.06554	0.7
116.07100	4.2
117.82756	0.1
119.08578	0.2
121.06514	0.3
121.10144	0.2
123.08042	0.2
125.65422	0.1
126.05516	1.2
126.16276	0.1
127.03921	0.4
131.08588	0.2
135.04430	0.7
135.08055	0.6
136.06187	0.1
137.05952	0.2
144.06564	100.0
145.04945	0.2
145.06889	0.4
145.10136	0.2
147.04344	0.2
147.11662	0.2
149.09596	0.5
151.07530	0.4
159.02861	0.2
159.09183	0.2
171.11667	0.2
177.09181	0.3
180.98235	0.2
188.10637	0.3
191.10657	0.3
191.14314	0.2
192.96693	0.2
209.15356	0.3
229.15970	0.4
233.11662	0.3
247.16962	0.8
249.11447	0.2
250.14400	0.4
288.19595	0.1
334.20117	1.5
352.21194	21.6
353.21552	0.2
361.02374	0.2
384.29080	0.2
457.20789	0.4
485.28833	0.2
514.26489	0.4
600.26611	5.8
600.35089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01867	1.8
55.34329	1.1
57.03448	1.2
61.02923	1.8
61.96896	0.9
62.91061	1.1
69.03440	6.9
70.76441	1.7
70.76771	1.7
71.05007	2.3
73.02929	1.3
74.03238	1.0
79.05485	1.3
79.08185	1.1
81.03426	5.9
81.07042	1.1
85.02911	9.5
85.06533	1.3
87.00829	3.1
87.04455	1.6
88.04001	100.0
91.03999	1.1
91.05489	2.2
93.07058	2.4
95.04967	3.5
95.08614	2.6
97.02907	4.3
97.06539	2.6
98.06071	3.6
99.04464	6.5
105.01868	1.5
105.07039	2.6
107.04986	7.6
107.08632	1.5
109.02871	5.4
109.06525	3.2
109.10164	3.6
116.07066	1.5
117.01757	1.0
119.08604	3.2
121.06510	3.9
127.03929	5.2
128.06238	1.4
129.07062	1.6
131.08598	3.5
133.05029	1.2
133.06535	2.2
133.10156	3.1
135.08054	2.5
136.06175	6.3
137.05988	2.2
138.53729	1.1
143.08652	1.4
144.06581	34.9
145.04973	1.2
145.06595	1.3
145.10138	1.4
147.08083	2.5
147.11700	1.7
149.09641	3.1
151.07527	2.2
157.06468	1.3
159.02910	2.1
159.08093	3.3
165.09129	31.5
171.11690	3.6
177.05515	1.3
179.10741	2.4
187.07593	2.8
189.09181	1.7
189.12741	12.1
191.10681	7.5
191.14285	1.2
193.12350	1.1
199.07552	1.1
207.13828	3.2
209.11736	2.1
219.10283	1.3
229.15927	4.5
233.11855	2.8
247.16994	15.8
249.11272	30.3
250.14560	3.0
252.12373	3.6
259.82602	1.2
265.18015	22.9
274.92444	1.2
296.14883	6.2
303.05069	7.6
303.16086	1.3
304.05353	13.7
305.05539	10.2
306.05972	9.0
334.20081	11.5
352.21213	61.5
503.35730	1.0
513.23108	1.8
514.26678	1.9
515.73602	1.0
600.26569	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01862	0.2
55.05513	0.3
57.03431	0.5
57.87667	0.2
63.29955	0.2
67.04247	0.6
69.03425	0.7
69.07090	0.4
70.06315	0.2
70.06596	1.8
71.15888	0.3
73.02908	0.4
78.24169	0.2
79.05490	0.3
80.05017	0.2
81.03404	0.7
81.07077	0.3
82.06588	2.7
84.08137	0.9
85.02924	1.0
87.00826	0.4
88.03996	2.2
90.43730	0.2
94.06608	0.2
95.04975	1.2
95.08589	0.3
97.02908	0.7
97.06535	0.8
98.06062	12.4
107.04975	0.3
107.08559	0.3
109.02884	0.4
109.06505	0.6
115.03930	0.2
116.07106	3.6
119.08618	0.3
121.06510	0.4
123.08055	0.3
126.05518	1.0
127.03911	0.6
135.04413	0.7
135.08055	0.7
137.06049	0.5
143.08644	0.3
144.06569	100.0
145.06944	0.3
149.09636	0.4
151.07553	0.6
159.09265	0.2
175.11368	0.2
189.12778	0.4
191.14409	0.2
209.15358	0.4
233.11775	0.5
247.16951	1.0
250.14438	0.4
287.05472	0.4
334.20258	1.2
343.01163	0.3
352.21210	23.0
361.02344	0.9
457.20901	0.3
485.28589	0.3
544.62610	0.2
600.26611	5.5
600.34979	0.4
619.09546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57366	0.9
53.03947	2.3
55.01875	1.1
55.05522	7.2
57.07088	5.7
59.04999	2.7
65.03939	2.1
67.05511	13.2
69.03437	7.2
69.07071	7.2
69.31467	5.8
79.05498	13.1
81.03416	1.3
81.07056	15.2
83.04991	9.6
83.08627	3.8
85.06547	4.6
87.04475	1.1
91.04920	1.0
91.05489	16.6
93.07045	22.2
94.04727	0.8
95.04982	9.7
95.08609	12.2
97.06553	4.7
97.10165	1.4
103.05489	2.5
105.07040	29.8
107.04983	2.4
107.08605	24.3
109.06526	9.5
109.10169	9.5
111.04462	1.3
111.08099	2.5
115.05479	3.1
116.06196	1.1
117.07034	7.3
119.08586	31.6
121.06521	8.8
121.10161	21.2
123.04444	1.1
123.08089	12.6
123.11691	2.2
125.06001	1.8
125.09660	3.8
125.46550	0.8
128.06270	5.0
129.07018	10.3
130.07794	3.7
131.08575	15.1
132.09465	1.1
133.06490	4.6
133.10138	15.6
135.08064	10.0
135.11700	6.6
137.06020	2.7
137.09630	7.8
139.07611	1.7
139.11172	1.3
141.06979	4.1
142.07784	10.5
143.08574	17.2
144.09329	6.3
145.06496	1.5
145.10135	22.5
146.07341	1.3
147.08040	12.4
147.11722	6.4
149.09627	11.9
151.07541	11.0
151.11143	1.3
153.07010	2.3
153.09106	1.2
154.07826	2.5
155.08583	7.8
155.10599	1.3
156.09392	8.5
157.10141	22.0
158.07278	1.2
158.10956	2.7
159.08057	7.7
159.11694	11.7
160.08920	1.0
161.09630	9.2
161.13284	3.1
163.11160	6.0
165.06990	2.5
165.09120	18.5
166.07814	1.2
167.08598	4.7
167.10672	12.4
168.09335	4.4
169.10143	12.8
170.10864	3.9
171.08064	1.9
171.11705	13.9
172.12560	1.0
173.09628	5.7
173.13228	8.7
174.10443	1.5
175.11200	5.6
175.14842	3.8
177.09145	2.6
177.12762	1.4
179.08521	4.1
180.09381	2.6
181.10100	7.5
181.12198	3.9
182.10971	4.1
183.11688	11.8
184.12570	1.7
185.09642	2.5
185.13261	6.5
186.10388	1.1
187.11177	4.1
187.14891	1.7
189.12726	6.1
191.08612	1.1
191.10715	1.8
191.14334	2.7
192.09358	2.8
193.10190	6.6
193.12025	1.5
194.11014	3.9
195.11740	9.7
195.13606	1.4
196.12521	2.8
197.09668	1.6
197.13251	9.6
198.10374	1.1
199.11153	4.0
199.14783	4.0
201.12770	1.9
202.07755	1.0
203.14337	7.7
205.10135	2.0
205.12129	1.1
206.10976	3.1
207.11757	8.6
207.13882	7.5
208.12524	3.5
209.09500	1.3
209.13327	9.0
209.15434	2.9
210.10371	0.9
210.14107	1.6
211.11177	2.4
211.14888	4.4
213.12819	2.9
213.16144	1.2
215.14363	3.4
217.10155	2.1
217.15959	1.5
218.10918	1.0
219.11765	3.0
220.12590	2.4
221.13297	7.5
221.15443	32.5
222.14076	1.7
223.11404	1.6
223.14842	5.0
225.12810	3.0
225.16455	3.0
227.14294	1.7
229.12282	2.3
231.11772	2.6
233.13257	4.2
233.15355	26.9
234.14143	1.1
235.14899	4.7
235.16910	1.1
237.12735	1.6
237.14839	2.5
239.14381	1.7
243.17575	1.4
245.13301	2.6
246.14005	1.3
247.14934	2.2
247.17052	2.1
249.16399	2.2
251.14296	1.6
251.18163	1.5
253.15927	1.6
257.15506	1.3
257.19196	1.6
259.06418	1.1
259.14801	1.8
259.17206	0.9
260.15607	1.1
261.16315	2.2
263.18073	2.1
267.17590	1.3
269.19238	1.7
271.17200	1.2
273.16245	1.4
277.15826	1.3
279.17487	1.1
281.18976	6.1
285.15982	1.1
285.18756	2.0
286.04651	1.2
286.19382	3.4
287.20163	3.5
289.19412	1.1
291.17557	1.5
293.18881	1.2
299.20145	3.7
301.07220	1.1
307.20401	1.9
325.21906	1.0
349.21814	1.3
352.23978	1.4
355.24252	1.1
357.59888	0.8
364.24008	2.6
365.24771	1.7
373.25467	2.1
377.24765	1.7
391.26544	2.2
423.29419	1.2
441.30081	3.8
449.30905	1.3
489.33905	2.8
493.33627	1.5
507.34738	63.0
508.35214	0.9
563.38739	1.4
581.39832	5.5
599.41010	100.0
600.41541	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05508	0.4
57.03427	0.5
57.07055	0.3
59.04964	0.3
60.89281	0.3
61.72771	0.3
61.97153	0.3
65.03936	1.3
67.05489	1.0
69.03423	1.3
69.07069	0.8
69.10161	0.3
69.17779	2.5
69.18192	0.6
71.04999	0.6
77.03920	0.6
79.05489	1.0
81.03433	1.8
81.07054	2.4
83.08627	0.7
85.02907	1.8
85.06545	0.7
89.03898	0.4
91.05487	14.2
93.07049	1.6
95.04980	0.6
95.08610	3.0
97.02910	0.8
97.06516	0.6
105.03362	0.5
105.07005	0.8
107.04951	0.5
107.08593	1.9
109.02871	1.3
109.06512	0.5
109.10166	1.2
113.07849	0.3
117.03374	0.4
118.04183	0.4
119.04955	23.3
119.08504	0.5
121.10152	2.3
122.20985	0.3
123.11720	0.7
125.09655	0.3
127.03946	1.0
129.03259	0.4
132.02109	1.0
135.11684	0.8
136.05183	0.5
137.05907	0.4
145.02887	0.8
145.10107	0.4
147.04422	21.6
149.02350	0.6
149.05960	0.5
157.03989	2.7
164.04662	0.8
167.07066	0.9
175.03923	42.2
176.04463	0.5
176.71487	0.3
177.05455	0.7
177.16400	5.1
179.07024	2.0
192.04201	0.9
195.17490	2.4
207.06541	100.0
213.18466	0.8
225.07593	2.9
231.19604	0.9
286.04819	0.4
301.03864	0.3
301.07138	1.1
329.25287	0.3
351.10791	2.6
369.11838	7.7
387.09879	0.3
499.27805	0.3
552.19318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
53.38818	3.6
55.05509	16.1
57.03436	8.3
65.03918	5.9
67.05505	33.6
69.03430	9.2
69.07078	23.1
69.94842	15.6
71.01352	4.8
73.02925	7.6
79.05508	28.5
81.03412	5.6
81.07056	75.4
83.08606	12.6
85.02907	29.4
85.06485	3.7
90.73248	3.1
91.05492	28.1
93.07044	48.1
95.01331	13.5
95.04976	8.9
95.08617	100.0
97.02879	9.2
97.06541	9.4
97.10157	9.9
98.20930	5.2
105.07040	68.5
107.08608	83.5
109.02851	4.2
109.06502	5.5
109.10166	73.2
111.08100	5.2
113.02372	6.8
117.07027	11.3
118.28534	4.0
119.04947	3.2
119.08588	89.8
121.10140	59.3
123.11730	24.1
125.05999	6.0
131.03424	6.8
131.08601	26.3
133.10136	56.6
135.11708	43.7
137.13261	4.3
141.01849	19.1
143.08569	10.1
145.10138	40.2
146.10844	3.9
147.04396	3.1
147.11697	58.4
149.05957	3.5
149.09583	4.7
149.13257	16.2
151.11153	5.9
157.10165	16.1
159.02943	5.7
159.11702	53.1
160.92494	3.7
161.13266	41.6
163.14859	22.6
167.07011	14.9
169.10146	3.4
171.11671	13.2
173.13254	30.4
175.14845	32.7
177.16425	11.5
183.11671	5.8
185.13278	12.1
187.14868	25.0
189.16393	93.7
191.17987	56.0
199.14868	17.1
201.16383	39.1
203.17967	70.9
205.19620	6.2
207.17430	5.3
213.16396	12.0
215.17982	75.3
217.19582	14.1
221.19069	8.9
225.16342	3.6
227.18018	8.6
229.19528	12.0
241.19493	7.3
243.21120	10.4
261.73041	3.4
267.21246	4.3
269.22733	13.4
297.25671	8.2
311.27341	8.3
365.19501	3.8
405.35083	54.9
423.36115	12.5
581.37708	4.0
599.12018	11.5
599.31458	3.3
599.39594	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56837	1.2
55.05501	4.2
57.07080	100.0
59.05004	40.3
64.37271	1.2
67.05490	4.9
67.13882	1.4
69.07064	4.7
71.08636	76.0
71.52988	2.1
79.05493	3.2
81.07045	4.9
83.08612	4.4
85.10190	66.0
87.04490	1.9
89.06042	23.2
91.05455	3.7
93.07039	2.6
95.04996	2.1
95.08584	3.8
97.10187	3.2
99.11737	13.0
101.09644	4.1
103.07578	1.5
105.07005	2.7
107.08569	1.7
113.13291	6.7
117.09138	15.1
119.08555	1.7
121.10139	2.2
133.08530	7.7
133.10107	1.9
147.10164	2.5
155.17946	12.3
171.11787	1.4
177.11256	9.1
181.86621	1.6
183.11775	1.7
195.12343	6.6
213.22162	27.3
235.15407	2.5
253.16493	5.5
271.26352	32.1
283.15436	2.7
293.19443	2.1
311.20581	2.0
329.30542	1.6
337.27582	2.2
392.29538	1.6
545.38208	2.5
581.46069	2.4
598.39001	3.8
598.48376	5.7
598.60687	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2506
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05522	1.0
55.36350	0.4
57.07077	0.9
58.32735	0.4
59.05001	0.7
67.05496	1.3
69.03428	0.5
69.07078	0.6
70.76459	1.2
71.08622	0.6
79.05499	1.0
79.45865	0.4
81.07056	1.5
83.08635	0.5
89.06040	0.6
91.05486	1.2
91.37262	0.4
93.07048	1.2
95.04947	0.4
95.08621	0.9
97.06534	0.6
105.07040	1.4
107.08615	1.1
107.24692	0.4
109.10159	0.6
117.07035	0.4
119.08603	1.7
121.06628	0.4
121.10143	1.2
125.05978	0.4
126.12132	0.4
129.07022	0.5
131.08606	0.4
133.08595	0.7
133.10170	0.9
133.53758	0.4
135.11705	0.7
143.08545	0.5
145.10150	0.8
147.08099	0.5
151.07561	0.6
153.33217	0.4
157.10133	0.9
159.11765	0.7
163.11258	0.7
165.09123	0.9
169.10173	0.5
171.11777	0.5
173.13264	0.6
181.12354	0.4
183.11807	0.5
202.31880	0.4
221.10779	0.7
221.13484	0.6
221.15280	1.9
222.11581	0.7
223.12389	0.9
235.12395	0.9
236.13217	0.8
237.13957	1.6
238.14659	1.0
247.17039	0.5
249.13918	1.6
251.11847	1.7
251.15564	1.5
252.16096	0.5
261.13879	1.2
263.11911	0.6
263.14697	0.7
264.12601	0.9
265.13486	0.6
270.10596	0.4
277.13254	0.6
279.14972	1.5
298.13416	0.5
301.15717	0.4
314.16568	1.5
324.14899	1.0
325.14856	0.9
326.16531	0.9
327.17349	0.5
328.18121	0.8
329.19110	0.7
330.19684	1.4
337.15472	0.6
338.16095	0.7
339.16098	2.5
340.17715	1.7
341.18326	0.4
342.16003	0.7
342.19699	0.6
350.16052	0.8
351.16699	1.2
351.97821	0.4
352.17828	1.6
353.17734	3.8
354.18503	5.4
355.19379	0.9
358.19254	1.6
362.15872	0.6
363.16241	1.7
364.17044	1.5
365.17859	1.9
366.18561	1.3
367.15341	0.8
367.19516	2.2
368.16138	0.6
368.20236	1.4
369.20792	14.6
375.16461	0.6
377.17856	1.7
378.15073	0.5
378.19189	0.6
379.15231	0.5
379.19357	6.9
380.16815	0.6
381.17099	1.8
381.21033	1.5
382.18002	1.1
382.22293	0.6
389.17819	1.0
391.15051	0.8
391.19403	1.3
393.16623	0.9
393.21237	0.7
394.17999	0.7
395.18585	1.2
395.22974	0.7
396.19751	0.7
397.20309	6.7
398.21185	0.6
400.20340	0.6
405.16574	0.9
405.21216	1.0
407.18439	1.3
408.19949	0.5
409.20334	1.6
410.17932	0.9
412.20157	0.7
419.18948	1.3
420.19775	0.6
421.20944	0.6
423.22672	2.0
424.23074	0.7
425.19754	21.2
426.21051	1.3
426.31882	0.5
433.20361	1.2
437.19907	2.7
438.21075	1.0
439.21481	1.0
440.22571	0.9
441.23691	2.0
441.28488	0.5
444.22867	1.2
445.20172	0.6
447.18619	0.5
448.18967	0.5
451.21500	11.1
452.22260	3.1
453.19113	3.1
455.24811	3.0
456.25656	4.4
461.19778	1.4
462.20477	3.1
463.21048	0.9
465.23245	1.1
466.21579	0.8
467.24765	2.8
468.21930	1.3
469.22333	1.4
479.20703	1.2
480.21494	1.2
483.24139	2.8
484.24768	6.7
493.22522	1.2
495.23648	1.4
497.21979	1.8
507.21310	0.4
511.23419	4.3
512.24231	34.0
513.24158	0.6
521.21960	3.3
522.90887	0.5
539.22919	34.5
540.23322	1.0
555.26355	0.9
566.19104	0.6
567.22174	1.2
571.25433	0.7
581.24225	0.9
582.22034	2.0
598.63037	0.7
599.25067	100.0
599.40955	2.4
600.25385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.03927	1.7
55.01855	0.6
55.05513	4.7
57.07071	5.9
59.04999	3.2
64.35076	0.6
65.03897	1.0
67.05499	7.5
69.03096	0.8
69.03432	8.1
69.07053	3.9
77.03904	0.8
79.05501	7.9
81.03380	1.7
81.07060	13.1
83.04990	3.9
83.08584	2.4
85.06514	3.1
91.04907	0.9
91.05483	15.9
93.07051	22.2
93.07630	1.4
95.04981	4.8
95.08067	1.0
95.08613	14.0
97.06528	3.6
103.05457	1.5
105.04526	0.8
105.07040	27.4
107.07882	0.9
107.08597	13.4
109.02887	0.6
109.06504	6.7
109.10162	5.3
111.08054	1.3
115.05418	1.5
116.06257	0.8
117.07030	5.9
119.04898	1.0
119.08591	27.7
121.06516	4.7
121.09348	1.1
121.10155	15.1
122.07307	0.9
123.08080	12.3
123.11692	1.2
125.05963	2.9
128.06210	2.2
129.07001	4.5
130.07773	1.7
131.08578	11.8
133.06448	1.8
133.10138	14.1
135.08061	11.5
135.11700	5.1
137.06004	1.5
137.09634	12.7
139.07510	2.0
139.11125	0.8
141.06979	2.2
142.07800	6.8
143.08569	11.6
144.09306	2.4
145.06450	0.9
145.10135	14.5
147.08058	22.4
147.11685	3.8
148.08768	0.7
149.09627	6.1
149.13321	1.2
151.07549	9.6
151.11238	0.8
153.06902	1.5
153.09003	0.7
153.12677	0.8
154.07808	1.1
155.08583	4.6
156.09358	5.7
157.10149	17.6
158.10863	1.2
159.08055	4.3
159.11714	11.8
161.09659	5.5
161.13240	5.5
163.11217	7.0
165.09126	48.2
167.08572	2.7
167.10689	5.8
168.09311	2.3
169.10156	8.6
170.10895	3.0
171.11710	9.9
173.09637	3.6
173.13281	3.4
174.10400	0.8
175.11194	3.4
175.14832	2.3
177.09052	1.8
177.12808	1.0
178.07697	0.8
179.08572	1.2
179.14323	1.1
180.09332	1.6
181.10173	4.2
181.12233	7.3
182.10950	2.1
183.08107	0.8
183.11717	10.4
184.12514	1.2
185.09657	1.9
185.13300	6.8
187.11185	2.9
187.14815	2.2
188.12019	0.8
189.12740	4.4
191.10648	3.3
191.14296	1.9
193.10133	2.5
193.11967	0.7
194.10873	1.8
195.11693	4.0
195.13699	1.7
196.12457	1.9
197.09756	1.0
197.13258	4.2
199.11172	2.4
199.14787	2.2
200.11740	0.8
201.12750	2.1
203.14319	19.5
206.10973	1.2
207.11716	1.9
207.13800	6.1
208.12383	1.2
209.09787	0.8
209.13263	4.5
209.15228	1.2
210.14070	0.9
211.11311	1.2
211.14825	4.5
213.12747	3.1
215.10666	0.9
215.14380	2.4
217.10239	0.8
219.11736	1.7
219.13660	1.1
221.15370	100.0
223.11177	0.9
223.14795	2.1
225.12724	1.5
225.16301	1.7
227.14308	2.1
229.12259	1.3
229.15883	2.2
229.47758	0.9
231.11613	1.1
231.13780	1.7
231.17610	0.7
233.13274	1.5
233.15411	4.1
235.14827	2.9
237.12822	0.9
237.16393	1.7
239.14360	1.5
239.17798	0.7
240.14961	0.9
241.15973	1.2
247.14699	1.2
247.16971	15.9
249.16380	1.2
251.17874	1.1
259.14819	0.8
263.17853	1.9
269.19177	1.0
271.17044	1.0
273.18619	1.2
281.19049	1.8
285.18723	0.9
286.19257	1.2
287.20114	7.6
293.19037	0.9
299.20203	6.5
301.21603	3.0
311.20065	1.6
313.21582	2.1
323.20193	0.8
325.21628	2.2
327.23264	2.5
347.23877	1.2
365.24695	4.6
373.25287	1.1
375.22372	0.7
377.24591	0.9
391.26373	11.1
401.27817	0.8
413.26987	1.5
419.29788	3.2
427.28461	7.4
453.30206	2.0
507.34680	9.6
519.35248	1.7
525.34241	1.0
543.35217	0.8
563.48383	0.8
581.39948	4.2
599.40948	85.0
600.41132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47047	1.2
55.01878	1.6
55.05518	11.0
57.03455	5.6
57.07098	1.3
65.03918	1.6
67.05176	2.4
67.05511	25.6
69.03427	2.1
69.07077	13.0
71.08652	1.8
71.52917	1.5
79.05508	9.4
81.03434	1.7
81.07066	30.4
83.08628	7.4
85.02901	1.3
91.05489	5.5
93.07040	9.3
95.08616	22.6
97.06522	2.3
97.10191	3.4
98.98481	8.4
105.07028	5.3
107.08622	5.4
109.10161	8.4
119.08608	4.6
121.10165	5.0
123.11746	2.8
133.10147	4.8
135.11760	1.8
140.08101	1.2
145.10133	2.3
147.11739	2.7
149.13222	1.4
155.01054	3.2
159.11685	1.7
261.03772	2.4
263.23715	2.5
303.04926	13.4
303.07874	1.7
337.27411	100.0
337.81885	1.3
464.22089	1.5
537.24945	2.6
544.90503	1.3
597.27197	20.6
597.38318	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	597.3043
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.80447	0.4
53.03947	0.9
55.05523	11.7
57.03197	0.6
57.03448	6.8
57.07063	1.4
65.03942	0.8
67.05515	22.9
67.35684	0.5
69.03387	0.7
69.07079	14.3
71.04990	0.5
71.08614	0.5
79.05506	8.1
80.78975	0.5
81.03411	1.9
81.07070	28.0
83.04961	0.8
83.08636	7.4
85.02902	0.7
85.06519	0.6
91.05494	4.8
93.07054	8.3
95.04951	0.7
95.08620	17.5
97.06537	1.6
97.10185	3.6
98.98482	9.0
99.08091	0.8
105.07045	3.6
107.08622	4.1
109.02880	2.0
109.10163	6.9
111.08086	1.0
111.11711	0.6
113.09693	0.6
115.23637	0.5
117.06995	0.6
119.08611	3.1
121.10149	3.9
123.08030	0.8
123.11731	2.3
131.08453	0.6
133.10170	3.2
135.11708	1.4
137.13252	0.7
147.11716	2.5
149.13249	0.8
155.01036	2.3
161.13300	1.2
163.06070	0.8
163.14833	0.9
175.14862	0.7
189.16370	0.7
229.60649	0.6
245.22675	1.4
261.03745	2.2
263.23749	2.1
303.05002	2.1
335.07327	0.6
337.27414	100.0
596.61469	0.8
597.39374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
57.03436	2.9
60.04536	13.1
60.04784	3.0
61.02908	2.1
61.37623	2.5
67.05501	7.0
69.03423	6.6
69.48594	8.3
69.49020	7.6
70.06598	3.2
71.05006	3.1
73.02921	2.7
74.09731	4.6
77.91192	2.5
79.05486	6.8
81.03421	19.7
81.07067	7.6
83.08627	2.6
85.02908	16.6
91.05470	6.8
93.07055	3.6
95.08601	3.4
97.02883	7.6
97.06518	2.7
98.09700	3.0
103.05489	3.9
105.07040	5.7
106.02947	2.5
107.04969	8.5
107.08608	2.9
109.02880	4.7
109.10139	2.8
112.95003	2.5
115.05482	5.1
117.07038	9.0
119.08612	5.1
121.06542	2.2
123.04506	5.0
124.03954	4.4
127.03963	6.7
129.07047	3.4
131.04944	2.6
131.08591	4.4
135.11696	2.9
136.06230	3.3
137.06090	2.7
144.05702	2.9
145.05156	4.1
145.06480	35.1
147.04434	6.8
147.08083	2.9
149.13419	2.4
149.94196	2.1
153.05507	5.2
155.06046	5.6
156.05699	6.6
159.08104	4.5
161.06000	4.2
165.09183	2.6
167.07053	45.7
168.07405	2.5
173.05998	53.3
177.05507	7.8
180.08667	6.5
187.07547	5.5
190.06279	33.6
191.07011	3.8
203.07083	7.2
205.08620	100.0
207.06601	4.2
217.08612	43.2
219.10240	4.1
233.11615	2.6
235.09659	32.4
247.09717	6.5
248.08392	3.7
256.03580	2.4
265.10748	37.0
286.04538	2.4
287.05472	5.2
287.09085	2.5
288.05753	4.8
289.05826	3.4
290.06403	3.6
302.07510	6.2
304.05173	4.1
315.08575	3.7
330.10928	4.2
332.27979	6.1
350.28937	7.0
351.12454	3.8
351.84845	2.3
371.14716	3.2
383.14902	12.3
390.15268	4.2
398.69995	2.4
401.16031	16.4
523.10260	2.5
563.85822	2.6
598.22278	3.4
598.33997	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02144	0.5
51.72462	0.5
53.03946	1.1
55.01862	0.9
57.03421	0.7
57.10713	0.6
61.02920	1.3
69.03428	3.2
69.52625	4.2
74.00929	0.6
78.04709	1.2
79.05489	4.0
81.03419	12.9
85.02905	9.7
89.51495	0.7
91.05477	2.3
93.07086	0.7
95.04964	1.9
97.02869	2.1
98.20742	0.7
99.04408	0.8
103.05490	3.0
105.07040	2.3
107.04965	9.1
107.08566	1.0
108.99626	0.6
109.02885	1.0
115.05442	6.1
117.06232	1.0
117.07027	14.4
120.83344	0.7
121.06469	0.8
121.10133	0.7
122.03741	0.6
123.04436	2.7
124.05232	2.4
125.38810	0.7
127.03951	3.9
128.06169	1.0
129.06975	2.7
130.04153	1.0
131.04922	1.5
131.08562	3.4
133.06465	2.2
137.05995	1.1
141.06985	1.3
141.63474	0.6
143.04915	1.5
144.05699	2.2
145.04994	2.2
145.06490	30.4
147.04367	1.0
147.07983	1.8
149.09622	2.3
151.03909	0.7
152.04701	1.5
153.05486	1.3
155.06020	5.2
156.05701	6.5
157.06494	1.5
159.08041	5.9
161.06012	3.4
162.07603	1.1
167.07045	48.0
169.06433	0.9
169.07692	0.8
171.55556	0.8
173.05995	55.8
175.07538	1.1
177.05461	1.2
180.08730	4.6
181.05034	0.9
181.08659	1.6
183.06541	1.8
184.05215	2.4
187.07541	5.5
190.06259	34.0
191.07019	2.8
193.08583	2.4
195.06456	0.9
202.06244	4.4
203.07024	5.1
205.08609	100.0
206.08923	0.9
207.06520	2.0
207.10266	1.0
215.07101	0.9
217.08615	41.5
218.09267	0.9
219.08173	1.1
219.10168	4.2
221.05885	0.7
223.09688	2.6
231.08046	1.0
233.07977	1.0
235.07626	1.5
235.09659	31.8
236.08263	0.7
247.07463	1.1
247.09645	7.1
248.08311	1.0
265.10730	36.0
269.07935	1.0
271.09555	2.1
276.07990	0.8
279.10129	1.3
291.10214	2.3
293.08118	1.5
299.09235	0.7
301.07080	1.0
315.08704	4.0
319.09451	1.6
323.12732	2.2
330.10916	5.7
331.11642	2.4
339.12207	1.1
343.11862	0.8
351.12277	2.5
369.13406	1.1
371.14905	2.3
383.14935	10.6
401.15982	12.4
504.69662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1819
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.27158	3.5
53.14428	3.5
57.03439	5.2
65.03911	5.7
70.06583	5.0
70.95321	7.9
74.97692	3.9
79.05490	6.0
81.03407	5.2
85.02916	23.4
88.47105	3.6
91.05498	7.1
93.03410	10.7
94.57501	4.1
95.04976	3.7
97.02890	15.8
107.04979	29.2
109.02895	13.5
111.04441	4.4
119.04935	8.1
121.02858	27.2
121.06531	5.2
123.04357	9.3
131.04955	7.6
135.04407	18.5
137.02319	4.2
137.06026	6.0
139.03885	4.7
145.06436	6.5
147.04405	25.8
149.02342	9.7
149.05971	5.4
151.03871	10.8
153.01791	4.1
159.04361	6.2
161.05948	4.6
163.03938	12.5
165.01872	16.7
165.05432	5.0
167.07086	7.5
173.02332	9.2
173.05977	11.0
175.03906	9.4
175.07545	4.5
177.01820	21.7
177.05492	14.7
181.04926	5.6
187.03923	10.3
189.01836	33.4
189.05466	9.5
191.03389	14.0
195.02963	31.7
201.01715	5.9
201.05466	14.7
203.03439	20.2
205.01294	11.2
205.04871	7.0
207.02881	50.2
209.04517	4.3
215.03433	14.8
217.04968	5.2
219.02898	92.6
221.04419	6.5
223.02348	7.8
225.03957	15.0
227.03522	5.2
229.04974	24.8
231.02896	59.4
233.04462	18.9
233.08051	9.1
237.04008	21.6
243.02890	33.9
243.06578	5.0
245.04417	13.3
249.03905	9.6
255.02846	10.5
257.04465	20.9
260.03064	5.1
261.03970	100.0
269.04187	7.5
271.02307	5.3
273.03989	47.0
275.05594	4.8
285.03970	47.9
291.05069	25.2
297.03922	16.3
297.07599	14.8
299.05600	8.3
303.04944	73.7
303.07947	7.1
309.03961	9.1
309.07495	10.9
315.40842	5.4
321.06033	25.9
327.04962	49.5
327.08679	29.7
339.08420	34.1
345.05905	10.5
351.08615	22.5
357.06036	9.9
363.07144	46.0
369.05862	4.2
375.07535	4.8
381.09674	34.5
387.07431	8.9
393.09335	31.1
405.08237	46.2
411.10889	14.2
417.09711	7.0
417.15332	10.2
421.72675	4.6
423.10202	32.7
429.11807	39.1
441.11252	49.0
447.10718	33.2
459.12927	32.4
465.11807	14.1
477.11420	5.6
483.12717	12.9
495.12814	21.9
507.12842	10.8
525.13995	13.4
543.14734	13.6
597.23090	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	597.1453
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.02501	0.4
57.03448	2.4
61.02934	3.5
66.66299	0.3
68.99783	0.4
69.03429	1.9
69.52770	1.6
73.02927	4.9
82.00919	0.3
85.02911	3.5
91.03966	2.3
95.04960	0.5
97.02915	3.5
98.21460	0.6
99.04415	0.3
100.99835	0.3
109.02910	0.6
111.00812	0.4
115.03925	2.5
121.02894	0.7
127.03910	1.3
133.04970	0.7
137.02350	2.6
145.04953	1.0
153.01840	2.2
163.03870	0.4
163.06038	0.9
165.01889	1.9
183.02934	0.4
187.03903	0.3
187.69917	0.4
201.05431	1.1
229.04974	3.1
241.07097	0.4
245.64529	0.4
247.06105	0.6
257.04419	2.3
274.04742	0.4
285.03946	1.1
303.05023	100.0
304.05447	0.6
315.04941	0.7
317.46933	0.4
327.04797	0.4
345.06006	0.6
369.06009	0.5
447.09293	0.5
465.10159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90472	0.4
57.03445	2.5
60.60334	0.5
61.02918	1.4
65.55930	0.5
69.03089	0.6
69.03436	7.9
69.95911	2.1
71.04995	0.4
79.14283	0.4
81.03416	0.7
85.02432	0.7
85.02909	6.5
87.04474	5.0
88.90930	0.5
91.03962	1.1
95.04981	0.6
97.02898	5.6
98.20966	1.0
108.60345	0.4
111.00804	0.7
111.04391	0.5
115.03940	4.8
121.02872	0.9
127.03939	0.6
133.04979	6.1
137.02338	3.4
153.01831	2.6
156.69766	0.4
165.01872	2.1
166.02631	0.8
183.02960	1.0
201.05489	1.4
217.71838	0.6
229.04941	3.7
235.59242	0.5
257.04486	2.7
257.37769	0.5
275.05634	0.5
285.03732	1.1
287.05511	2.8
288.05945	2.1
289.06070	3.0
303.05011	100.0
304.05212	0.5
315.04764	0.7
345.06125	0.9
369.06036	0.8
465.10492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.96251	0.1
55.01867	0.2
57.03441	3.0
61.02934	3.1
62.82603	0.1
65.03947	0.2
66.21352	0.1
68.99790	0.6
69.03434	3.0
69.29270	0.7
69.29683	0.3
69.72614	0.1
70.06575	0.2
71.01357	0.4
71.04971	0.2
73.02925	6.1
79.20157	0.1
81.03403	0.5
84.08153	0.1
85.02913	5.0
87.04462	0.5
91.03963	2.2
91.05489	0.2
93.03426	0.3
94.01936	0.1
95.04948	0.3
97.02904	4.3
99.04463	0.3
103.03907	0.1
105.88143	0.1
107.04971	0.2
109.02874	0.8
111.00807	0.9
115.03941	2.6
119.04979	0.2
121.02884	0.9
123.04427	0.4
127.03943	1.5
131.04881	0.2
133.04970	0.8
135.04425	0.2
136.59019	0.1
137.02353	4.3
137.03419	0.2
145.02905	0.2
145.04965	1.2
145.06374	0.2
147.04399	0.9
149.02322	0.6
151.03914	0.4
153.01836	3.3
155.04868	0.2
161.05989	0.5
163.04002	0.8
163.06030	0.9
165.01863	1.9
166.02641	0.4
167.03662	0.1
167.07013	0.2
173.06049	0.4
175.03911	0.2
177.01826	0.2
177.05490	0.2
179.03407	0.2
181.04878	0.2
183.02910	0.8
183.04456	0.3
187.03938	0.5
189.05501	0.1
191.03421	0.2
194.07669	0.1
195.02924	0.5
201.05495	1.4
205.04958	0.2
213.05563	0.2
215.03339	0.2
219.02917	0.3
219.06482	0.2
223.05914	0.2
228.04166	0.2
229.04977	3.7
241.07123	0.3
247.06078	0.6
257.04462	2.7
260.03217	0.2
261.03934	0.2
265.81253	0.1
274.04807	0.6
275.05502	0.4
285.03915	1.4
287.05420	0.7
288.02502	0.4
288.05951	0.4
289.06021	0.3
295.06155	0.1
299.05331	0.7
302.04251	0.5
303.05008	100.0
304.05371	0.5
313.06989	0.2
315.05014	4.9
316.05826	0.6
327.05060	1.5
329.06485	0.3
339.04965	0.3
341.06564	0.7
345.06088	5.0
355.08054	0.4
357.06079	0.4
369.06091	3.5
381.06064	0.4
383.07474	0.2
393.06039	0.4
399.07324	0.6
411.07065	0.6
429.08380	0.9
435.09003	0.3
442.31610	0.1
447.09286	1.8
456.98911	0.1
465.10336	5.1
544.78235	0.1
597.14435	2.5
597.24518	0.3
597.28455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05521	0.3
57.03439	1.4
61.02937	1.8
68.99795	0.4
69.03430	0.8
70.54871	0.4
70.55211	0.3
71.01353	0.3
71.05002	10.0
73.02915	1.3
73.55458	0.2
75.04475	0.7
75.25056	0.2
78.89146	0.2
81.03411	0.3
82.42329	0.2
83.04996	0.6
85.02913	12.7
88.95437	0.2
91.03976	1.1
97.02880	1.1
99.04448	0.5
103.03935	0.3
109.02926	0.3
111.00802	0.6
111.04399	0.3
112.39295	0.2
115.03927	0.3
121.02863	2.1
127.03922	0.5
129.05515	3.4
133.02852	0.6
137.02348	0.9
145.05019	0.3
147.04433	0.4
147.06502	1.0
153.01843	2.5
165.01807	1.2
168.10721	0.2
171.04535	0.4
183.02901	0.9
185.05988	0.3
213.05486	1.0
231.06625	0.5
241.05031	0.8
258.05316	1.0
259.05997	0.3
269.04379	0.3
286.04654	1.4
287.05527	100.0
288.05847	0.7
299.05624	0.6
301.07092	8.8
311.05417	0.2
329.06653	0.6
353.06516	0.5
433.11539	0.3
449.10916	1.0
513.06836	0.2
548.77094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01857	0.9
55.05279	0.6
55.05518	8.4
57.03437	7.5
57.07076	1.0
65.03931	1.0
67.05510	32.4
69.03413	0.9
69.07081	6.8
70.77345	1.2
71.04977	0.9
79.05498	17.0
81.03413	4.4
81.07062	25.9
83.05008	1.0
83.08624	2.6
85.02910	1.1
85.06547	1.2
91.05486	7.4
93.06490	1.0
93.07050	17.4
93.07638	0.9
95.04948	1.2
95.08616	23.0
97.06538	1.0
97.10155	1.2
98.98478	9.6
99.04428	0.7
99.08117	0.5
105.04551	0.7
105.07043	4.9
107.07888	0.6
107.08600	8.3
109.02884	2.9
109.06516	0.9
109.10157	6.5
117.07021	1.8
119.08585	3.4
121.10168	5.5
123.11720	2.0
127.03906	0.8
131.08575	2.7
133.10150	2.2
135.08116	0.5
135.11708	3.4
135.12564	0.6
137.13237	0.7
142.48259	0.4
145.10124	2.4
147.11688	2.0
149.13280	1.9
155.01039	1.8
159.11681	1.0
161.13234	1.1
163.06032	0.5
163.14861	0.8
173.13295	1.3
187.14784	0.8
197.22992	0.4
201.92651	0.5
243.21123	1.4
261.03741	3.1
261.22266	2.7
276.71500	0.4
285.03925	0.6
286.04700	4.4
287.05582	1.1
301.07089	8.4
317.06363	0.7
317.24844	0.9
335.07465	1.3
335.25818	100.0
405.14001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05521	6.2
56.23123	0.7
57.03436	1.9
57.07085	3.9
60.19685	0.6
61.02919	1.5
65.03957	0.9
67.05183	0.7
67.05508	7.2
69.03434	4.9
69.07076	15.9
71.05013	4.0
71.08603	1.0
77.12396	0.6
78.53316	0.6
79.05508	4.7
81.03419	3.7
81.07063	21.7
83.04989	1.1
83.08637	6.6
85.02912	12.0
85.06544	2.7
87.00836	4.6
87.04473	1.8
91.05469	3.8
91.66535	0.7
93.07053	5.0
95.04958	1.5
95.08614	20.9
96.08927	1.0
97.02909	4.1
97.06519	1.8
97.10189	5.0
99.04469	1.5
99.08114	2.3
103.05516	0.8
105.01884	7.9
105.07018	2.3
107.04918	1.2
107.08595	5.3
109.02879	2.9
109.09602	0.6
109.10170	14.9
111.00871	1.1
111.08100	1.5
111.11729	4.9
113.09662	0.6
115.03920	1.5
117.03384	1.2
119.04932	2.7
119.08590	2.0
121.02851	1.2
121.06483	1.0
121.10131	3.8
123.04375	1.0
123.11713	7.6
125.09641	1.1
125.13298	3.9
127.03927	7.0
129.05453	1.2
131.04932	1.9
131.08614	0.7
133.04999	1.2
133.06541	0.8
133.10165	1.6
135.08165	0.8
135.11732	2.9
137.13275	5.8
145.02866	1.5
145.04997	1.8
145.06642	0.9
145.10133	0.8
146.08150	1.8
147.04425	6.7
147.11691	1.7
149.13274	5.8
151.07584	1.2
151.14822	2.8
153.01863	1.9
153.12793	0.9
159.11765	0.7
161.05939	0.6
161.13129	0.6
163.03967	1.1
163.07582	0.8
163.14845	2.0
165.01811	1.3
165.16373	2.4
167.07111	3.8
167.14319	1.9
168.00536	1.7
169.15897	1.4
175.03958	1.1
177.05487	2.4
177.16418	1.1
179.17966	2.1
181.05023	1.7
186.01610	1.4
193.19511	1.5
207.06514	1.6
219.21042	1.4
221.08176	1.0
231.04979	2.0
249.06139	3.5
249.25751	1.3
257.04349	0.8
258.05261	1.5
275.27371	3.5
285.03955	4.6
286.04745	46.4
287.05515	36.9
287.08823	1.0
293.28381	10.3
301.07086	100.0
302.07382	3.5
303.04947	1.4
311.29453	1.8
331.10205	0.7
401.31372	1.4
415.12900	0.7
416.14313	0.9
463.12186	1.3
487.30609	0.8
595.21478	2.0
595.29718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77394	1.5
55.01878	1.9
57.03428	1.8
61.02935	2.9
69.03426	4.7
70.85022	4.1
71.04972	2.8
81.03416	2.2
85.02912	12.5
87.04446	2.5
89.06036	13.8
97.02917	4.3
103.03942	2.1
107.04937	5.1
109.02881	5.9
111.04463	3.8
119.04947	6.2
119.28222	1.8
121.02879	26.7
127.03934	31.0
127.04838	3.5
129.05438	1.8
133.08597	7.5
133.10066	2.0
145.02879	5.5
151.07585	1.9
159.04494	2.0
165.01985	1.8
167.07018	4.3
168.00594	2.7
175.03929	3.0
177.01831	3.2
177.05489	3.1
181.04979	6.9
187.03844	2.1
189.01878	9.8
189.05463	2.1
191.03442	3.4
194.01691	1.7
195.02960	4.7
201.05525	3.1
203.03404	6.5
207.02863	3.3
207.06564	2.2
213.05562	3.7
217.04961	4.3
219.02957	4.6
229.04970	3.9
236.52077	2.0
245.04718	1.8
255.03024	3.7
267.06680	2.9
268.07324	3.2
270.11783	1.9
278.05704	1.7
279.06567	4.4
281.08157	4.5
283.05994	8.0
285.04062	5.8
286.01605	2.7
286.04718	31.8
287.05524	28.3
293.08069	4.0
294.05240	15.6
295.06027	61.2
296.06750	6.2
297.07571	5.6
298.08279	2.2
301.07074	100.0
307.06039	36.5
308.06827	11.8
309.07590	9.7
313.07050	5.5
319.05954	6.0
320.06641	2.9
321.07581	25.3
322.04916	2.1
322.08319	7.9
323.05518	4.2
323.09198	3.0
325.07077	83.3
333.07608	7.1
335.05515	2.7
335.09109	12.7
336.06357	3.8
337.07071	51.2
345.07587	2.4
347.09079	9.8
349.07053	25.1
350.08112	2.7
351.08615	16.3
355.08084	16.3
357.07721	3.3
359.08972	2.8
361.06943	15.7
361.10519	2.5
363.08554	5.5
365.10178	10.0
367.07996	5.1
373.07135	5.7
375.08646	11.6
379.08139	42.1
385.07025	2.9
387.08710	2.0
389.10382	2.5
391.08145	23.9
403.08105	20.7
409.09198	32.6
415.14188	2.2
415.25330	2.8
416.25620	2.8
417.09808	2.0
421.09222	18.5
427.10278	28.7
433.09192	3.0
439.10303	19.3
445.10004	5.3
457.11328	85.2
463.10626	6.2
475.12570	19.8
481.11392	20.9
499.12442	16.2
505.11203	5.4
511.12357	19.7
523.12585	18.8
529.13702	10.8
541.13434	24.5
559.14441	20.9
577.15497	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	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03426	1.8
61.02917	1.7
68.99815	0.8
69.03420	0.4
69.16254	2.4
69.16684	1.6
71.05000	8.9
73.02914	0.5
75.04486	0.4
77.02105	0.3
79.05522	0.4
83.04962	0.6
85.02915	11.2
87.04443	0.7
89.18327	0.3
91.03967	1.0
97.02904	1.6
98.20806	0.9
98.21484	1.2
104.04403	0.4
109.02847	0.5
109.85944	0.4
110.54361	0.4
111.04484	0.8
111.05382	0.4
117.65047	0.3
121.02866	2.3
129.05496	3.4
134.25635	0.4
137.02310	0.8
147.06531	1.2
153.01859	2.5
165.01855	1.0
168.62112	0.4
174.27240	0.5
183.02831	0.7
213.05412	0.6
241.04993	0.5
258.05240	0.9
259.25931	0.5
286.04736	6.0
287.05524	100.0
288.06006	0.6
301.07098	14.5
362.72003	0.4
449.10788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Tectorigenin 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
52.03342	0.2
57.03435	0.6
57.31071	0.2
68.99829	0.2
69.03425	1.3
71.06191	0.4
85.02921	1.4
87.04485	0.9
88.51376	0.2
94.77586	0.2
97.02907	0.9
106.52578	0.2
114.69310	0.2
115.03925	1.4
118.04185	0.3
121.02793	0.2
133.04968	1.2
140.01050	0.3
145.04924	0.3
159.04475	0.2
168.00549	2.7
169.01462	0.2
184.05304	0.3
186.01602	0.9
211.41257	0.2
212.04619	0.4
213.05426	0.2
220.05925	0.2
229.05029	0.3
240.04219	0.6
241.04953	0.3
255.06558	0.7
257.04398	0.5
258.05246	1.8
268.03717	0.5
269.04510	0.4
285.03958	4.7
286.04727	57.2
287.05280	0.4
301.07071	100.0
302.07346	0.5
379.46640	0.2
404.66510	0.2
434.40594	0.2
463.12424	1.5
566.63245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Kaempferol 3-(6''-p-coumarylgalactoside)
Peak:m/z	Relative Intensity
53.03943	0.4
57.03432	0.5
61.02925	0.4
65.03965	1.4
65.17776	0.3
67.05490	0.3
68.99802	0.5
69.03423	1.0
69.07069	0.5
70.41073	0.2
70.80074	0.5
71.04980	0.7
71.10883	0.2
73.41344	0.2
79.05488	0.6
81.03425	1.3
81.07047	0.6
83.04977	0.2
85.02904	4.9
91.05486	10.7
93.07076	0.2
95.04991	0.3
95.08617	0.6
97.02893	2.8
99.04447	0.4
105.07053	0.3
107.04968	0.4
107.08606	0.3
109.02888	1.0
109.10145	0.4
111.00815	0.3
111.04489	0.4
115.03949	0.5
119.04948	24.3
121.02879	2.0
127.03919	0.8
131.04871	0.3
133.02821	0.2
133.04988	0.3
135.08028	0.2
137.02322	0.5
137.06027	0.3
139.11211	0.2
145.02875	0.3
145.04997	0.2
147.04417	100.0
148.04773	0.6
149.05968	0.3
151.40808	0.2
153.01837	3.1
153.05461	0.3
157.06531	0.3
165.01842	1.2
165.05467	1.2
167.07007	0.3
168.00589	0.5
175.03938	0.6
177.05515	0.5
181.04941	0.2
183.02928	0.5
185.05998	0.7
207.06447	1.5
213.05478	1.1
231.06532	0.8
241.04927	0.8
249.07851	0.3
255.06473	0.3
258.05310	1.1
259.06058	0.4
269.04306	0.3
285.04001	0.9
286.04745	12.5
287.05515	76.1
288.05893	0.7
291.08618	0.4
299.05557	0.5
301.07083	26.7
309.09720	4.1
329.06592	0.8
347.07629	0.6
353.06622	0.3
463.12238	0.5
573.61566	0.3
595.23798	0.4
595.32635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
53.56402	0.2
55.05522	0.3
57.03421	0.3
65.03947	1.1
67.05489	0.5
68.99799	0.7
69.03422	1.0
69.07060	0.4
71.04997	0.8
71.29701	0.2
79.05483	0.5
81.03416	1.0
81.07061	0.9
83.08595	0.2
85.02913	1.8
87.04489	0.4
91.05487	7.7
93.07044	0.4
95.04988	0.6
95.08610	1.0
97.02901	1.6
97.06525	0.2
99.04467	0.2
99.41107	0.3
102.28339	0.2
103.05476	0.3
105.03401	0.4
105.07020	0.5
107.04961	0.7
107.08607	0.7
109.02866	0.7
109.10146	0.4
111.00795	0.8
115.03923	0.4
117.07014	0.2
119.04952	16.2
121.02887	3.1
121.06488	0.3
121.10133	0.6
127.03918	0.7
129.06978	0.2
131.04933	0.6
131.08543	0.3
133.02885	0.4
133.04962	0.5
133.10155	0.3
135.04395	0.4
137.02330	0.9
137.05934	0.3
145.02847	0.3
145.06493	0.3
145.10107	0.3
147.04422	57.0
149.06018	0.3
149.09622	0.3
153.01830	3.9
157.06470	0.5
161.06036	0.3
163.03970	0.3
165.01839	1.7
165.05495	2.8
167.07039	0.9
168.00624	0.7
173.06078	0.3
175.03960	0.7
177.05487	0.5
181.04941	0.8
183.02934	0.9
185.05980	0.5
186.01480	0.4
203.07037	0.3
207.06503	1.4
212.04733	0.3
213.05479	1.5
229.05023	0.3
231.06487	1.4
240.04227	0.3
241.04942	1.0
255.06500	0.3
257.04510	0.3
258.05368	1.3
259.05948	0.3
269.04437	0.3
271.06012	0.4
285.03943	1.3
286.01486	0.5
286.04749	15.3
287.05518	100.0
288.05878	0.8
291.08600	0.8
301.07086	32.4
302.07391	0.3
303.05029	1.1
309.09732	0.7
317.06668	0.3
329.06546	0.4
393.15625	0.2
416.14615	0.5
463.12265	0.7
571.69794	0.2
595.22546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11172	0.2
56.89119	0.2
57.03447	0.5
57.27448	0.2
61.02931	0.5
63.28452	0.2
65.03937	1.2
68.99814	0.7
69.03443	0.7
69.67078	1.3
71.04989	0.4
71.43260	0.2
72.57151	0.2
79.05485	0.2
81.03432	0.6
85.02917	3.7
87.04482	0.3
89.06056	0.4
91.05495	7.7
97.02901	2.6
105.03391	0.4
107.04979	0.5
107.81665	0.2
109.02886	0.9
111.00845	0.6
119.04961	17.7
121.02885	3.0
127.03912	0.7
129.07039	0.3
133.02896	0.5
137.02371	0.8
145.04836	0.3
147.04434	60.9
153.01843	4.0
157.06508	0.6
165.01852	1.7
165.05498	2.3
168.00645	0.5
171.04439	0.5
175.03935	0.5
181.05028	0.2
183.02974	0.5
185.06018	0.8
203.07079	0.4
207.06554	0.8
213.05495	1.9
231.06581	0.9
241.05013	0.7
258.05240	1.6
259.06119	0.4
269.04431	0.2
273.07556	0.2
285.03992	1.0
286.01495	0.4
286.04764	11.6
287.05539	100.0
288.05789	0.5
291.08624	0.6
299.05582	0.6
301.07114	23.6
309.09653	0.7
329.06778	0.2
343.08496	0.3
365.06506	0.3
386.46323	0.3
463.12247	1.4
476.14297	0.2
580.12646	0.2
595.14056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1451
Annotation	Kaempferol 3-(6''-p-coumarylgalactoside)
Peak:m/z	Relative Intensity
52.11172	0.2
56.89119	0.2
57.03447	0.5
57.27448	0.2
61.02931	0.5
63.28452	0.2
65.03937	1.2
68.99814	0.7
69.03443	0.7
69.67078	1.3
71.04989	0.4
71.43260	0.2
72.57151	0.2
79.05485	0.2
81.03432	0.6
85.02917	3.7
87.04482	0.3
89.06056	0.4
91.05495	7.7
97.02901	2.6
105.03391	0.4
107.04979	0.5
107.81665	0.2
109.02886	0.9
111.00845	0.6
119.04961	17.7
121.02885	3.0
127.03912	0.7
129.07039	0.3
133.02896	0.5
137.02371	0.8
145.04836	0.3
147.04434	60.9
153.01843	4.0
157.06508	0.6
165.01852	1.7
165.05498	2.3
168.00645	0.5
171.04439	0.5
175.03935	0.5
181.05028	0.2
183.02974	0.5
185.06018	0.8
203.07079	0.4
207.06554	0.8
213.05495	1.9
231.06581	0.9
241.05013	0.7
258.05240	1.6
259.06119	0.4
269.04431	0.2
273.07556	0.2
285.03992	1.0
286.01495	0.4
286.04764	11.6
287.05539	100.0
288.05789	0.5
291.08624	0.6
299.05582	0.6
301.07114	23.6
309.09653	0.7
329.06778	0.2
343.08496	0.3
365.06506	0.3
386.46323	0.3
463.12247	1.4
476.14297	0.2
580.12646	0.2
595.14056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
53.52230	1.0
55.01875	1.4
55.05267	1.4
55.05515	15.9
57.03439	3.6
57.07086	5.4
59.04994	1.0
61.02918	1.0
64.56024	0.9
65.03943	1.9
67.05182	1.9
67.05512	27.5
69.03424	4.8
69.07072	30.6
70.04076	5.8
71.01347	1.0
71.05000	1.4
71.08633	1.9
71.52036	1.4
73.02930	2.0
75.04456	1.5
79.05495	15.4
81.03413	4.1
81.07062	86.7
83.05000	1.9
83.08626	14.2
85.02912	10.5
85.06553	5.2
91.05463	8.0
93.05511	1.6
93.07049	32.8
95.01344	4.5
95.04971	3.3
95.08616	100.0
97.02882	4.7
97.06541	7.3
97.10181	13.3
99.04455	1.4
99.08135	5.1
103.03973	1.2
105.01855	1.3
105.07030	13.0
107.04970	1.3
107.08604	39.0
109.02899	3.0
109.06534	1.7
109.10164	59.0
111.08124	4.9
111.11731	7.5
112.74925	1.0
113.02369	1.4
117.07021	2.2
119.04958	1.1
119.08588	13.9
121.06480	1.4
121.10154	30.6
123.04446	1.0
123.08103	2.6
123.11717	29.9
125.09633	12.0
125.13291	1.2
127.03922	4.4
131.03383	1.1
131.08577	2.8
133.10132	12.4
135.08046	2.2
135.11699	22.7
137.05965	1.5
137.09618	2.2
137.13274	10.6
139.11183	14.5
141.01828	7.6
143.08521	1.4
145.02859	2.9
145.10167	6.0
147.04420	4.1
147.08066	1.2
147.11719	10.1
149.05978	1.7
149.13269	34.9
151.07530	1.3
151.11212	5.3
151.14828	12.1
153.12772	3.6
157.10101	1.3
157.12230	1.1
159.11691	8.0
161.13289	10.7
163.11247	1.1
163.14839	16.6
165.12822	3.1
165.16380	1.8
167.07037	1.7
171.11705	1.1
173.13264	3.1
175.03918	1.4
175.14842	7.5
177.05505	4.6
177.16377	10.5
179.14334	7.4
179.17995	1.4
181.15837	1.2
187.14886	2.1
189.16464	6.0
191.17995	8.5
193.08542	1.0
193.15919	3.5
195.17447	3.2
195.74496	1.1
201.16370	2.7
203.18039	3.6
204.14848	1.3
207.06520	2.3
207.17441	3.9
209.18904	2.5
213.18535	1.1
215.17953	4.4
219.17461	1.7
220.82254	1.0
221.08102	4.2
221.19054	2.8
229.19598	1.8
231.15996	1.6
233.19031	2.9
245.22577	2.1
251.07578	2.1
259.24210	9.7
263.23746	2.9
271.24231	26.5
277.25296	20.1
287.22162	1.6
289.25275	57.5
291.26868	4.0
299.05853	1.2
299.09225	2.2
301.07159	2.0
307.26355	5.3
309.24207	1.0
309.27838	2.2
311.21970	1.0
313.07150	2.1
315.05197	2.2
315.08652	7.2
327.05075	2.9
331.08224	2.4
337.27289	1.6
342.71573	1.1
344.66806	1.0
345.09665	3.3
351.28973	2.0
363.29025	5.7
369.09698	3.3
369.29950	5.6
381.30017	69.3
399.31152	5.8
413.12433	16.2
423.64615	1.1
431.79932	1.0
447.27441	2.2
527.32379	1.2
539.32043	2.8
557.33081	4.3
593.26172	0.9
593.34955	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	594.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05513	17.1
57.03435	9.9
67.05506	19.6
69.03418	3.5
69.07063	8.2
71.04980	3.1
71.52108	2.6
74.39004	1.4
77.61223	1.5
79.05496	20.0
81.03423	52.8
81.07061	19.4
83.04974	5.3
83.08627	16.3
85.02903	4.5
85.06543	2.3
85.46745	1.6
91.05474	17.6
93.07048	16.4
95.04972	21.4
95.08617	12.0
97.02886	3.8
97.06522	4.4
97.10183	14.9
98.17769	1.5
105.07027	12.0
107.04959	12.8
107.08603	11.1
107.12367	1.4
109.06535	10.3
109.10170	7.5
111.04487	1.8
111.08078	5.3
117.07029	6.2
119.08580	10.5
121.06507	9.7
121.10139	9.5
123.08054	3.5
125.09636	13.0
126.69700	1.7
127.03883	1.7
129.06113	1.4
129.06978	8.7
131.04932	2.3
131.08583	9.7
133.06473	4.2
133.10123	5.4
135.08034	4.6
135.11703	2.6
145.06473	5.1
145.10129	5.0
146.08162	3.0
147.04399	2.1
147.08022	5.9
147.11696	6.4
149.09627	4.8
149.13370	2.0
153.09174	2.8
155.08537	2.4
157.10115	5.7
159.11673	2.0
163.11160	3.5
169.10129	1.8
171.08072	1.8
171.11679	1.8
173.09639	2.9
175.11235	5.1
177.12804	2.0
181.10173	2.6
189.11188	6.4
193.12228	13.5
195.11644	2.3
197.13354	2.3
199.11095	2.4
211.13254	2.0
213.12761	1.9
215.14420	2.0
217.68117	1.8
219.13879	1.9
227.12605	2.3
233.15402	4.0
255.13974	2.3
259.13422	1.9
267.15939	34.7
273.14807	5.6
286.04684	8.0
287.05411	6.8
293.17285	1.8
301.07123	20.4
349.21616	5.2
357.23962	1.9
367.22711	16.7
385.23770	25.3
403.24860	10.4
441.26492	7.6
459.27448	100.0
477.28513	76.8
491.29962	9.7
509.30670	4.4
541.33521	2.4
563.09326	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.09573	1.3
55.01875	7.0
55.05515	16.0
57.03445	7.5
57.07075	9.5
58.66084	1.4
59.04992	3.4
61.02917	2.8
65.03947	2.0
67.05509	27.3
68.99789	3.1
69.03431	22.3
69.07070	38.5
69.14663	1.3
69.62454	8.7
70.06608	2.7
70.31725	1.1
71.05018	6.3
71.08630	2.4
72.08159	1.4
72.20660	1.4
73.02918	4.4
79.05492	20.5
81.03416	19.0
81.07060	100.0
83.04990	3.1
83.08622	16.8
84.08139	1.4
85.02914	52.3
85.06548	34.5
87.00831	21.7
91.05460	13.2
93.07043	41.4
95.04970	4.0
95.08612	89.5
97.02904	18.0
97.06539	6.2
97.10187	11.0
99.04450	7.0
99.08099	25.3
105.01864	17.6
105.07037	12.8
107.07877	2.4
107.08601	42.9
109.02888	14.8
109.06518	2.5
109.10162	55.3
111.08089	10.7
111.11736	9.5
113.09663	5.3
115.03946	2.1
117.01835	1.7
117.07016	1.4
119.04948	5.1
119.08588	10.7
121.02869	1.5
121.06490	2.1
121.09324	2.8
121.10149	36.2
123.04401	1.9
123.08064	2.3
123.11724	26.8
125.09640	4.8
125.13309	1.7
127.03925	30.1
127.11174	3.1
128.06227	1.2
129.01823	2.0
131.08575	3.3
133.10114	11.3
135.08023	1.3
135.11697	19.7
137.05959	2.5
137.09578	1.8
137.13255	16.4
139.11206	6.1
145.04955	8.2
145.10176	3.3
147.04420	12.9
147.08081	1.5
147.11720	6.9
149.09644	1.8
149.13264	33.8
151.14845	5.0
153.12769	2.6
158.49559	1.4
159.02884	8.8
159.11810	2.4
161.09575	1.7
161.13258	6.0
163.11168	1.8
163.14841	18.3
165.12798	1.6
165.16429	2.2
167.06926	1.5
167.14343	4.4
171.11719	1.3
173.13258	1.8
175.03842	2.0
175.14844	4.9
177.05487	4.5
177.16391	23.0
181.15877	2.2
185.13368	2.4
189.16426	4.6
191.17926	4.1
195.17456	21.8
203.17934	3.1
207.06514	5.8
209.19046	3.3
213.03879	2.2
213.18503	56.7
217.19582	6.0
231.04953	3.4
235.20570	3.7
247.24239	3.0
253.21625	2.6
256.07413	1.8
261.25833	4.3
273.25735	12.3
279.26855	8.4
284.06824	3.1
286.04807	3.7
287.05542	3.9
291.26840	33.2
297.27945	14.9
299.05792	2.8
299.09106	20.5
301.07071	7.7
303.04962	4.0
309.27872	43.9
315.04797	2.7
327.04932	1.8
327.28952	42.1
331.96106	1.3
331.99939	5.0
345.09897	2.9
345.30145	1.8
347.02277	2.7
369.09619	3.2
381.27878	2.2
399.29007	3.1
413.12305	12.1
463.11688	3.0
485.97272	1.9
503.29837	2.2
521.30859	1.6
593.29645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2761
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.69523	0.3
57.91470	0.2
69.97694	0.3
69.98362	0.7
69.98756	0.4
70.18420	0.3
72.90649	0.3
89.87149	0.3
136.58058	0.3
261.89719	0.3
280.86044	0.2
353.28558	0.2
362.38129	0.3
387.16251	0.4
389.17685	0.8
389.64136	0.3
402.18524	0.7
403.19119	2.1
404.20114	0.7
405.20844	1.4
415.20114	0.4
416.16025	0.4
417.16840	0.8
417.21475	2.7
418.21841	1.5
419.22363	3.2
430.17889	0.8
431.18304	7.1
432.18591	1.6
432.24203	0.5
433.24371	4.9
434.24857	1.2
444.18939	0.4
445.19971	8.3
446.20825	3.7
447.21646	5.1
449.23706	0.5
459.21497	2.9
460.22607	10.2
461.23306	7.6
463.21356	0.5
473.23865	1.6
474.24191	0.5
475.21188	0.3
476.25909	0.7
477.23059	0.9
487.25125	1.0
489.26718	0.4
491.24207	1.1
492.25287	1.3
505.22015	5.2
518.23346	0.6
519.23981	1.1
533.25562	25.8
547.27002	0.4
564.23749	0.8
565.28113	0.7
575.26324	0.3
593.27637	100.0
594.28204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69470	0.3
56.79231	0.2
59.90256	0.2
68.79819	0.2
70.76597	0.7
71.91702	0.2
91.55119	0.3
102.43717	0.3
112.70220	0.3
251.98445	0.3
315.23569	0.3
373.14331	0.3
387.15878	0.3
388.16873	0.3
389.17685	1.0
390.18747	0.3
402.18381	0.9
403.19119	2.6
404.20004	0.9
405.20917	1.4
415.19376	0.5
416.20090	0.9
417.16364	0.8
417.21484	3.1
418.22015	1.3
419.22394	3.1
429.21048	0.4
430.17197	0.5
431.18240	7.7
432.18692	1.8
433.24149	7.5
434.24698	0.8
445.19965	9.5
446.20850	4.1
447.21796	4.1
459.21548	3.7
460.22601	12.6
461.23367	12.7
462.24387	0.4
463.21240	0.4
473.23627	2.5
474.24109	0.8
476.25974	1.7
477.22702	0.8
477.27661	0.4
487.25140	1.4
488.25424	0.3
489.26599	0.9
491.24396	0.9
492.25232	1.4
505.21805	4.7
506.27350	0.3
515.24542	0.6
518.23029	0.7
519.23743	0.8
533.25537	48.0
534.25482	1.2
547.27069	0.7
564.23865	0.7
565.27875	0.9
575.26129	0.5
593.27625	100.0
594.28101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1868
Annotation	Afromosin 7-O-(2''-apiosylglucoside)
Peak:m/z	Relative Intensity
55.01831	0.1
59.31955	0.1
65.94162	0.1
67.05461	0.3
69.03410	0.2
69.07035	0.1
75.56960	0.1
79.05502	0.1
81.03355	0.1
81.07032	0.3
85.02883	0.1
87.00777	0.1
91.05474	0.1
95.04907	0.1
95.08594	0.2
97.06544	0.1
98.20775	0.2
105.07006	0.2
106.07298	0.1
107.04906	0.1
107.37439	0.1
109.02895	0.1
109.10128	0.2
111.04391	0.1
119.04940	0.1
120.55301	0.1
121.06367	0.1
121.10131	0.1
123.00677	0.1
127.03851	0.1
132.05702	0.2
133.06458	0.2
135.04375	0.2
137.05933	0.4
139.03925	0.2
145.02794	0.2
147.04404	0.4
153.06975	0.1
163.03935	0.2
166.02670	0.8
167.03400	0.2
168.05678	0.1
175.03941	0.1
177.05420	0.3
182.07216	0.3
183.08067	0.9
184.03674	1.3
185.05963	0.1
196.05200	0.4
197.05931	0.3
200.08308	0.2
207.06534	0.2
210.06731	0.3
210.99611	0.1
211.07538	1.3
212.08315	0.1
213.05457	0.2
223.03764	0.1
225.05496	0.2
227.07082	0.7
228.07758	0.7
239.07024	2.2
240.07739	0.1
241.05026	0.6
243.10176	3.1
252.04216	0.2
253.04848	0.2
255.06503	1.7
256.07315	5.0
267.06503	0.7
268.07285	0.1
269.04416	0.3
270.05167	0.1
271.09711	0.2
283.06006	1.1
284.06796	13.1
285.07422	0.1
299.09143	100.0
300.09488	0.6
315.04965	0.2
330.07367	0.2
331.75290	0.1
345.09760	0.3
573.37836	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	593.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
56.53769	0.2
57.89206	0.2
69.03392	0.5
70.05932	0.6
70.06274	0.3
74.88388	0.2
81.03414	0.3
85.02879	0.9
87.00792	0.5
97.02874	0.5
99.04490	0.3
109.02882	0.4
109.10150	0.2
118.04140	0.3
119.04939	0.3
121.02882	0.3
121.10151	0.2
127.03912	0.3
144.60738	0.2
145.04903	0.2
147.04395	0.2
157.06555	0.2
160.05142	0.2
166.02641	0.3
169.01343	0.8
177.05617	0.2
197.00841	0.3
200.04759	0.3
255.06343	0.2
255.41382	0.2
257.04517	0.5
266.05881	0.2
267.06610	0.5
269.04382	2.0
270.05197	0.5
272.03217	3.0
283.02927	0.3
283.06003	2.0
284.06857	1.1
285.07602	2.9
287.05521	5.8
294.05005	0.2
295.05984	0.2
297.03961	12.3
298.04382	0.3
299.05600	0.8
300.02621	0.8
301.07092	0.3
311.05469	1.3
311.80453	0.2
312.06271	3.2
315.04999	44.1
316.05432	0.5
329.06546	0.4
330.07358	10.9
345.09705	100.0
346.10101	1.0
400.39532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1661
Annotation	4',5-Dihydroxy-7-methoxyisoflavone 3'-O-(3''-E-cinnamoylglucoside)
Peak:m/z	Relative Intensity
51.02383	0.3
53.03940	0.5
54.10440	0.2
55.05511	0.8
57.03437	0.4
59.04987	0.4
64.91383	0.2
65.03957	0.3
65.43281	0.2
67.05505	1.1
68.88631	0.2
69.03429	1.5
69.07063	1.0
69.33350	2.1
79.05502	0.9
81.03423	2.2
81.07072	1.9
83.04982	0.3
83.08627	0.4
85.02903	1.4
87.00821	0.3
91.05504	0.8
93.07049	1.1
95.04984	0.6
95.08612	2.1
97.02890	1.6
97.06538	1.2
97.10165	0.3
103.05472	10.6
103.06158	0.6
104.04794	0.3
105.01923	0.3
105.07080	0.6
106.85809	0.3
107.04993	0.4
107.08630	1.2
108.94321	0.3
109.02869	1.2
109.10155	1.3
118.04206	1.0
119.04954	0.2
119.08611	0.9
121.02894	0.4
121.10158	0.8
123.11711	0.5
125.09648	0.3
127.03922	1.1
131.04938	36.9
133.10168	0.5
135.11728	0.5
137.06021	0.3
140.01035	0.4
145.10107	0.3
147.04349	0.3
147.11728	0.5
149.06023	2.9
149.13287	0.3
167.06996	0.3
168.00562	3.5
186.01639	1.4
191.17940	0.3
207.56053	0.3
211.13254	0.3
212.04703	0.5
229.05063	0.5
240.04236	0.5
241.05000	0.9
255.06528	0.5
257.04468	0.4
258.05301	1.4
268.03629	0.5
269.04486	2.0
273.25763	0.4
275.09149	3.3
285.03922	6.0
286.04739	62.5
287.05029	0.6
291.26971	0.5
293.10135	0.7
301.07083	100.0
302.07446	0.7
309.27856	0.6
313.07062	0.6
315.04758	0.3
327.05066	0.5
345.09653	0.4
369.09586	0.4
413.12259	1.9
593.33978	0.8
612.29364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.01838	0.8
57.03448	1.6
59.82573	0.2
61.02932	1.8
68.99810	1.2
69.03442	8.8
69.03801	0.3
71.01304	0.2
71.04943	0.9
71.52410	0.3
73.02930	1.6
81.03431	7.3
82.19453	0.2
83.01334	0.2
85.02918	11.3
87.00848	3.9
87.04416	0.3
95.08591	0.2
97.02908	3.9
99.04474	2.2
101.02354	0.4
103.03954	1.5
105.01852	1.5
109.02898	5.5
115.03873	0.2
117.01828	0.4
118.04140	0.4
119.04125	0.2
127.03934	7.9
129.01846	1.2
137.76550	0.2
145.04982	1.6
147.02892	0.4
159.02945	1.3
166.02600	0.3
169.01286	0.6
185.05891	0.2
187.06009	0.9
189.03868	0.2
203.20108	0.2
213.03897	0.7
213.16347	0.2
231.05016	0.7
241.05127	0.3
257.04486	0.2
269.04477	1.1
272.03165	2.0
283.06128	1.5
284.06815	0.8
285.03973	0.6
286.04858	0.4
287.05511	3.7
297.03995	8.9
298.04678	0.3
299.05505	0.6
300.02634	0.6
301.07278	0.5
310.04715	0.7
311.05606	1.0
312.06323	3.0
313.03543	0.4
313.06982	0.4
314.04214	0.3
315.05026	35.6
316.05313	0.3
328.05795	0.4
329.06613	0.8
330.07419	7.7
339.05017	1.2
341.06683	0.3
343.04739	0.3
343.08246	2.4
344.08795	0.3
345.09735	100.0
346.10004	0.8
357.06036	1.4
369.09732	0.8
381.06134	0.2
387.10861	3.9
411.10565	0.3
453.12393	0.2
489.14273	0.3
507.15063	6.7
549.16315	0.6
568.40369	0.2
575.14203	1.4
577.25085	0.3
593.15125	7.3
593.35297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01883	1.4
55.05517	12.8
57.03442	9.9
57.07082	38.2
60.05847	1.0
65.03946	1.8
67.05510	53.2
69.07079	14.4
69.48810	4.4
69.49239	3.6
71.04979	1.4
71.08639	25.6
74.24249	1.2
77.27577	1.0
79.05501	31.4
81.07064	63.2
83.04953	1.7
83.08626	13.6
85.06554	1.9
85.10184	13.0
89.06050	1.5
91.05488	14.5
93.07048	39.8
95.04963	3.0
95.08614	54.8
97.06553	3.1
97.10176	6.7
98.20770	2.2
99.08096	1.6
105.07040	13.8
107.08597	24.1
109.06519	1.4
109.09479	2.1
109.10165	27.6
117.07028	6.1
119.08595	9.8
121.10144	17.7
123.11745	10.2
131.08583	11.1
133.10126	10.0
135.11702	16.6
137.09593	1.4
137.13246	3.6
145.10150	9.0
147.11708	7.2
149.09636	1.3
149.13295	10.3
151.14857	1.7
159.11707	8.3
161.13342	5.8
163.14853	8.2
173.13316	9.2
175.14854	3.2
177.16391	2.0
187.14795	2.7
199.34009	0.9
215.18205	1.4
233.04022	1.1
233.22649	2.6
239.23672	6.1
243.21132	12.6
257.24722	2.2
259.20294	1.0
261.22162	58.0
279.23294	3.1
299.23645	1.3
313.27386	100.0
317.24832	9.3
322.77402	1.1
333.24506	1.4
335.25809	62.9
408.27255	1.2
499.44965	1.8
573.48700	24.4
591.49933	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	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.05518	25.1
57.03430	8.8
57.07076	47.6
67.05508	63.5
69.07072	29.6
69.25689	12.1
69.26112	11.0
71.04987	2.8
71.08640	29.9
79.05500	42.1
81.06599	3.6
81.07059	62.4
83.04997	3.9
83.08617	19.6
84.94186	2.5
85.06548	3.5
85.10168	14.3
91.05485	49.6
93.07043	53.5
95.04961	4.3
95.08611	54.8
97.10181	11.5
98.20840	7.0
105.07037	56.0
106.41417	2.7
107.08594	31.3
109.10177	26.0
111.11609	2.6
117.07015	12.3
119.08585	45.9
121.10140	24.9
123.11699	8.5
129.07004	9.4
131.08577	19.0
133.10139	49.1
135.11713	21.6
143.08533	8.0
145.10098	18.9
147.11691	49.4
149.13246	15.7
151.11104	3.6
157.10120	6.9
159.11726	21.5
161.13261	29.7
163.14839	6.2
171.11684	11.1
173.13258	11.1
175.14815	10.6
185.13263	9.5
187.14827	3.1
199.14874	6.9
231.17540	3.1
231.21066	10.3
239.23784	3.4
241.19545	37.5
259.20593	94.0
261.22189	6.3
277.21704	5.1
300.36047	2.9
311.25934	9.7
313.23608	5.8
313.27335	100.0
315.23184	7.9
333.24219	60.5
335.25549	5.4
351.25476	2.9
369.26224	3.2
528.21655	2.8
534.92657	2.9
571.47241	16.5
589.48633	45.1
607.41260	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	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49178	2.2
53.03952	3.4
55.05526	10.9
57.03438	15.6
57.07082	34.3
58.07407	3.4
62.41570	2.4
67.05508	24.4
69.07065	9.0
71.08639	24.4
71.13017	4.4
76.15610	2.2
79.05508	13.7
80.05830	2.4
81.03428	49.5
81.07065	27.1
83.04994	4.2
83.08629	18.8
85.10190	12.3
89.06049	2.5
91.05482	21.5
92.46516	2.5
93.07040	15.7
95.04973	12.2
95.08617	28.8
96.81669	2.4
97.10192	7.8
99.08083	3.2
104.20919	2.5
105.07030	19.2
106.07368	2.8
107.04944	2.9
107.08604	9.7
109.10178	11.1
111.08088	4.5
111.11705	2.3
119.08598	16.7
120.08913	3.6
121.10134	7.0
123.11750	5.0
129.07004	6.7
131.08574	9.6
133.10155	9.5
136.12007	2.8
145.10168	4.9
147.11668	13.3
149.09613	2.8
157.10170	6.2
161.13264	8.0
163.11133	2.8
164.33400	2.0
171.04024	2.4
175.11188	4.8
175.14865	3.8
187.10640	2.5
193.12297	17.6
206.72023	2.4
222.72957	2.3
241.19531	7.4
242.19855	3.6
259.20667	13.2
260.20908	12.7
267.15933	98.6
271.06531	2.5
302.48428	2.3
313.27402	100.0
314.27805	15.4
333.24243	7.3
334.24582	7.5
392.41226	2.3
394.54199	2.5
471.58710	2.2
488.04709	2.6
496.05862	2.2
505.38980	64.8
572.47052	3.2
590.48016	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	590.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.05515	9.7
57.03204	1.8
57.03455	11.5
57.06828	3.2
57.07082	34.2
58.77907	2.1
62.96763	2.1
67.05508	19.8
69.07077	10.9
70.63943	4.9
71.04992	2.3
71.08642	24.1
79.05507	11.3
81.03427	73.0
81.07053	21.0
83.04990	3.7
83.08629	19.3
84.29145	2.0
84.49123	1.6
85.10191	17.0
87.86723	1.7
89.06027	3.3
91.05494	19.7
93.07052	8.4
95.04971	19.3
95.08621	19.7
97.02914	2.4
97.10165	5.7
105.07037	12.5
107.04948	5.9
107.08655	2.3
109.06537	2.6
109.10194	9.2
111.08130	4.7
119.08596	11.7
121.10149	6.7
123.11689	3.2
129.07001	8.5
131.08574	7.1
133.10147	4.9
147.08075	3.6
147.11674	6.7
149.09644	3.8
157.10133	8.1
175.11215	6.2
175.64537	2.0
193.12265	22.6
239.23717	2.9
242.20020	2.3
259.20544	2.6
267.15945	100.0
313.27402	95.5
314.27710	5.8
334.24545	2.7
427.67593	2.2
505.38956	70.1
586.03821	2.1
590.48358	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2606
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
57.07071	0.5
57.56574	0.4
63.86481	0.4
67.05501	1.4
69.07040	0.5
70.99419	0.5
77.25545	0.5
79.05490	0.8
81.07075	1.1
93.07053	1.1
95.08623	1.1
154.27141	0.4
173.13350	0.5
313.27316	0.6
335.25943	0.9
402.18863	0.6
404.21359	0.5
413.17679	0.6
414.18616	0.8
415.19208	4.2
416.20270	1.6
417.20615	0.6
428.20584	0.6
429.20825	5.2
430.21692	3.6
431.22540	1.8
433.24310	0.5
443.22504	1.9
444.23648	5.8
445.24411	3.3
448.26349	1.4
457.20026	0.7
458.25366	0.9
459.21140	1.9
459.25684	3.5
461.23965	0.6
472.22580	3.2
473.23441	5.3
474.24603	2.1
485.23523	1.5
486.24115	0.6
487.24942	21.5
489.22925	1.5
500.22156	0.6
501.21832	0.5
503.24286	1.6
515.24286	1.5
517.22217	0.5
518.23322	0.7
531.23956	16.4
532.24615	5.1
563.26459	0.6
576.23682	0.6
591.26080	100.0
591.44354	3.2
592.26184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63895	1.5
52.23209	1.7
53.03958	8.0
55.01878	5.2
55.05518	16.1
57.03425	5.1
57.07069	6.9
59.05006	7.9
61.02920	2.3
67.05511	23.2
68.99783	2.5
69.03433	21.3
69.07073	100.0
69.97562	6.2
69.97938	3.3
71.04989	6.3
73.02918	5.0
79.05511	17.1
81.03423	19.8
81.07065	96.9
83.04965	3.0
83.08626	10.3
85.02914	49.1
85.06558	16.1
87.00841	21.7
91.05488	10.7
93.07053	38.9
95.04971	6.8
95.08615	64.7
97.02925	17.4
97.06532	7.3
97.10183	7.5
99.04463	8.6
99.08103	18.3
103.03928	1.8
105.01875	13.9
105.07059	15.7
107.08602	42.2
109.02889	17.8
109.06528	3.5
109.10170	38.1
111.08082	3.8
111.11731	28.7
113.09641	3.3
117.01839	3.1
117.06995	3.7
119.08591	17.9
121.10167	35.0
123.11716	24.2
125.09604	3.1
127.03934	31.0
129.01826	1.8
129.12743	2.6
131.08591	4.8
133.10143	14.1
135.11697	43.1
137.09538	1.9
137.13269	9.0
139.11195	24.8
145.04994	9.5
145.10146	12.1
147.11696	15.3
149.13281	15.3
151.14825	4.5
153.12762	33.8
155.10568	2.1
157.12238	4.7
159.02922	5.9
159.11725	17.6
161.13275	11.7
163.14815	7.7
165.12796	4.3
173.13264	5.7
175.14841	5.7
177.05467	2.5
177.16411	22.0
185.15331	2.8
185.16794	1.8
187.14894	5.7
189.16408	4.9
191.18062	3.3
195.17482	15.0
201.16434	3.2
213.18509	31.9
215.18005	3.0
221.04228	2.0
227.20050	4.2
231.05096	5.2
239.20070	5.2
246.73895	1.6
249.05981	2.0
259.24319	3.1
263.23807	2.3
271.24219	7.3
277.25287	10.4
289.25293	36.5
295.26361	39.2
307.26331	56.1
325.27402	51.0
343.28552	7.8
591.27899	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	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55836	1.2
53.03959	2.7
55.01870	1.3
55.05523	14.8
57.03433	3.3
57.07074	4.5
59.05011	1.9
61.02942	1.5
67.05519	16.4
69.03442	11.9
69.07081	100.0
70.43301	1.2
71.04988	3.2
71.08646	1.4
73.02905	1.9
79.05494	8.0
81.03434	6.6
81.07072	50.7
83.04982	3.2
83.08640	8.7
85.02920	16.2
85.06564	8.1
87.00825	6.1
91.05495	4.8
93.07067	17.7
95.04984	4.4
95.08622	36.5
97.02917	8.6
97.06538	7.1
97.07067	1.2
97.10169	3.6
98.20760	1.8
99.04432	2.3
99.08092	4.5
101.06022	2.9
105.01884	4.6
105.07050	10.1
107.08612	14.4
109.02887	6.6
109.06522	3.6
109.10178	23.7
111.08102	3.5
111.11034	1.9
111.11742	23.9
117.03397	2.0
119.08578	9.4
121.06451	2.3
121.10153	14.9
123.08082	2.9
123.11728	26.9
125.09657	1.9
127.03938	11.7
127.07593	2.0
127.11230	5.9
129.07033	1.6
129.12816	1.4
130.07741	1.4
131.08531	1.9
133.10139	5.6
135.08080	1.7
135.11729	7.3
137.09627	4.0
137.13303	4.5
139.11211	23.9
145.02911	5.2
145.04962	3.0
145.06525	1.2
145.10165	3.0
147.04459	1.5
147.11702	6.5
149.13290	7.3
151.14917	5.8
151.15900	1.2
153.05409	1.2
153.12772	4.1
155.10655	3.2
155.14317	1.7
157.10187	1.5
157.12320	7.3
159.02954	1.4
159.11719	6.2
161.13272	5.3
163.03880	1.3
163.11195	2.0
163.14810	2.3
165.12749	3.4
167.07094	1.5
167.14331	2.1
173.13303	2.1
175.14824	1.9
177.05511	13.4
177.12833	2.2
177.16351	1.2
179.14330	4.7
187.14754	1.4
189.16356	1.7
191.17938	1.2
195.13802	1.2
207.06465	1.4
219.17526	1.3
233.19083	1.5
237.18538	3.4
251.20081	1.3
263.23663	1.7
269.21176	2.1
271.24155	1.9
277.25269	2.4
289.05249	1.3
289.25385	8.5
295.26367	36.1
298.45959	1.2
299.39523	1.2
301.07288	1.6
307.05756	2.0
307.26367	66.9
325.27435	20.2
343.28485	2.3
415.28430	2.7
433.29593	2.3
537.30713	1.8
555.31873	1.2
591.28345	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.01876	1.9
55.05280	1.0
55.05515	14.0
57.03434	3.7
57.07090	6.1
59.04996	3.4
65.03942	1.1
67.05512	14.0
68.99795	1.2
69.03436	12.4
69.07076	100.0
69.29368	8.0
70.06625	1.1
71.04997	3.5
71.08639	1.9
73.02911	1.9
79.05499	8.6
81.03432	10.6
81.07065	54.8
83.04980	4.3
83.08631	10.9
85.02909	16.8
85.06551	7.6
87.00822	5.4
87.04476	2.2
89.03940	1.7
89.06034	1.2
91.03951	1.1
91.05473	5.6
93.07050	15.7
95.04958	4.5
95.08617	34.1
97.02895	9.8
97.06535	7.9
97.10175	5.5
99.04454	3.4
99.08105	5.4
101.06003	5.7
101.09520	1.2
105.01869	3.8
105.04677	1.2
105.07044	12.9
107.08609	18.0
109.02910	7.0
109.06516	2.9
109.10163	27.0
111.08076	3.7
111.11723	26.7
117.03381	2.3
117.06989	1.4
119.08557	8.2
121.06451	1.3
121.10162	13.6
123.08064	2.7
123.11732	25.3
123.98302	1.2
127.03915	12.9
127.11230	5.6
129.07005	1.4
129.12740	1.7
131.08562	3.1
133.10136	4.9
135.08009	1.1
135.11707	9.8
137.09604	2.1
137.13245	5.1
139.11197	26.1
143.08496	1.8
145.02847	9.0
145.04887	2.7
145.10095	4.1
147.04465	1.9
147.11691	6.1
149.06009	1.6
149.13277	7.6
151.07521	2.3
151.11125	1.7
151.14806	5.4
153.12769	2.9
155.08412	1.4
155.10735	2.5
155.14308	1.5
157.12280	7.4
159.02864	1.5
159.11703	6.2
161.13251	6.0
163.03894	1.9
163.14853	5.4
165.12755	4.5
167.14316	3.4
173.11774	1.6
173.13161	2.0
175.14822	2.7
177.05475	19.2
177.16385	2.4
179.14326	5.0
183.13689	1.4
189.16336	1.5
191.10658	1.9
191.14291	1.6
191.17923	1.4
193.15973	1.4
195.17850	1.2
205.19589	1.3
207.06531	1.4
215.17972	2.5
219.17467	2.9
237.18535	3.7
242.05850	1.1
251.20157	1.5
259.24463	1.4
277.25262	3.1
286.04666	1.3
289.25305	9.5
295.26337	31.7
301.07111	2.4
307.05753	2.1
307.26331	64.6
325.27408	21.9
343.28607	2.7
415.28403	1.8
433.29437	2.2
537.30280	2.2
581.81787	1.2
591.17603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01864	3.9
55.05274	0.9
55.05516	10.1
55.33102	0.8
57.03430	4.0
59.05006	1.4
61.02933	1.3
63.52319	0.8
67.05502	4.6
68.99791	2.2
69.03432	13.9
69.07068	7.2
70.06617	1.8
71.04993	2.7
73.02907	3.9
79.05499	6.8
81.03426	14.7
81.07065	16.0
83.01361	1.3
83.05000	1.6
83.08608	2.0
84.08132	0.8
85.02916	21.8
85.06553	2.7
87.00845	11.1
87.04479	5.6
91.03944	1.1
91.05489	7.7
93.07056	9.3
94.04190	3.2
95.01320	2.1
95.04958	3.0
95.08608	10.9
97.02895	10.0
97.06527	4.1
97.10178	13.7
98.21552	2.0
99.04465	4.7
99.08091	2.0
99.41901	0.9
101.02405	1.0
103.03979	1.0
103.05448	5.7
105.01894	5.7
105.07037	11.2
107.04929	2.3
107.08594	12.7
107.23399	1.0
107.40609	1.0
109.02883	9.4
109.06498	4.8
109.10168	10.8
111.04459	1.4
111.08127	1.8
111.11777	1.2
113.02391	1.5
115.05457	4.3
117.01868	1.3
117.03413	1.4
117.07014	2.7
119.04945	2.2
119.08588	10.7
121.06503	1.7
121.10149	6.6
122.03655	7.3
123.08120	1.9
123.11731	6.7
125.09655	4.5
127.03929	20.5
127.11217	1.6
128.06227	3.8
129.01816	1.4
129.07024	3.4
131.04936	7.8
131.08572	2.9
132.05722	4.3
133.06505	3.3
133.10147	7.4
135.08037	0.9
135.11705	12.2
137.05989	100.0
137.09599	2.6
139.11122	1.4
141.01862	2.5
141.07024	1.9
143.08600	0.9
143.10732	2.2
145.02882	1.5
145.04971	5.0
145.10150	3.3
147.04434	2.5
147.08104	4.7
147.11707	4.4
149.09563	1.8
149.13249	3.8
151.07574	1.3
151.11153	1.8
153.12779	8.6
156.05713	1.2
159.02893	5.8
159.08080	1.8
159.11722	3.3
160.05197	2.8
161.05998	10.3
161.13240	2.1
163.07539	15.4
165.12711	1.1
167.07083	1.6
169.06499	1.7
171.08063	1.2
173.13298	1.8
175.07556	57.3
175.14745	1.5
177.05516	3.3
177.12672	1.2
177.16577	0.9
184.05302	2.2
187.07579	4.0
187.14827	2.8
189.09039	1.0
190.07883	1.1
191.08624	2.3
191.14308	2.5
197.11754	2.0
199.07561	18.9
201.09143	2.5
202.07753	6.2
203.08556	11.9
205.06554	1.3
209.15363	4.8
219.08110	5.3
220.08875	2.5
225.36505	0.9
231.04935	2.1
231.08124	13.1
233.06110	1.0
233.09583	1.1
235.17003	1.7
245.13873	4.7
247.07530	3.1
248.08307	5.0
249.09023	1.5
251.10652	3.7
257.22763	1.2
259.07584	5.2
259.14450	1.2
260.08466	3.6
261.09125	1.5
263.10669	6.8
276.07831	3.1
277.08633	3.6
279.10141	3.9
280.10806	1.0
285.22089	2.1
291.10226	16.3
292.10907	3.2
293.08188	2.5
293.24686	1.1
295.09830	1.1
295.13315	1.8
303.23276	4.1
305.24719	3.8
308.10458	3.4
311.12808	10.2
323.12805	32.1
323.25729	2.8
325.10904	1.3
325.14215	5.2
333.10495	1.0
341.13882	1.4
365.26996	1.5
377.26743	4.0
377.31076	1.0
379.05115	1.1
383.27884	2.0
395.28113	5.7
413.29001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03259	0.2
55.01875	0.5
57.11252	0.2
65.59256	0.2
67.05490	0.3
71.52184	0.3
73.84013	0.2
79.05522	0.3
91.05476	0.8
91.39110	0.2
105.07005	0.4
107.01273	0.3
107.04966	0.3
115.05470	1.0
117.06992	0.5
118.04151	1.7
119.04977	0.4
121.02866	1.0
121.10096	0.2
128.06235	0.8
129.07008	0.7
131.04999	0.4
131.08534	0.3
133.06483	0.6
141.06996	0.5
143.08568	0.8
147.04456	0.5
153.07054	0.5
155.08574	0.5
157.06490	0.7
158.07272	0.8
160.05199	2.7
161.05989	6.6
165.06995	0.6
167.03456	0.4
168.05760	1.2
169.06566	0.7
171.04428	0.3
171.08052	0.5
173.06015	0.6
175.07562	0.6
177.05490	0.4
181.06491	0.4
183.08054	0.6
185.05995	2.4
186.06779	0.6
187.07576	0.7
189.05591	0.3
189.09117	4.2
195.34143	0.2
196.05238	0.6
197.06032	1.3
199.04057	0.4
199.07513	0.7
200.04739	0.8
201.05602	0.6
201.09184	1.2
203.07030	0.5
205.08667	0.5
211.07463	1.4
213.05431	1.1
214.06259	7.6
215.07092	1.4
217.08598	1.2
219.02904	0.3
220.02383	0.3
224.04759	0.5
225.05479	0.3
229.08568	1.3
239.07060	0.9
241.04953	0.9
242.05753	1.1
246.05234	0.4
249.08948	0.3
252.04099	0.5
253.04967	0.8
254.05765	0.4
255.06596	0.3
257.04483	0.4
257.08047	0.4
269.04468	2.6
270.05237	6.3
271.06006	0.5
277.04932	0.3
281.04410	0.7
282.05331	0.8
283.06064	0.2
285.04025	0.6
285.07599	0.8
286.04706	2.7
289.10696	0.5
297.03891	1.9
298.04739	41.7
299.05347	0.7
300.06409	0.3
301.03748	0.3
301.07062	5.5
309.03894	0.5
310.04803	1.2
311.05548	0.5
312.06308	0.5
313.07068	100.0
314.07486	0.4
324.06299	0.7
325.07104	2.2
326.04123	0.6
327.04919	0.8
327.08405	0.4
329.06604	1.0
337.07169	0.5
338.04138	0.4
339.05066	0.6
341.06561	8.9
343.08115	0.8
353.06625	1.4
355.08148	1.0
367.08145	0.3
375.08755	0.3
379.08765	0.3
385.09097	1.3
451.11670	0.8
481.09293	0.5
496.11716	0.5
511.13809	1.2
529.14880	3.5
539.05786	0.5
539.13428	8.8
557.14465	22.1
589.17157	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01881	5.3
55.05517	12.9
57.03432	4.3
57.07070	2.1
59.04997	4.4
61.02924	2.7
67.05505	9.2
68.99789	2.3
69.03084	1.6
69.03437	22.2
69.07074	100.0
69.81853	5.0
71.04993	4.6
73.02918	3.6
75.53281	0.9
79.05500	7.0
81.03423	17.4
81.07064	26.4
83.08613	5.1
85.02913	46.1
85.06548	3.8
85.60173	1.0
87.00311	1.3
87.00835	17.7
87.04481	1.1
90.46269	1.0
91.05485	14.6
93.07051	23.0
94.50196	1.0
95.04969	3.1
95.08608	20.9
97.02901	13.7
97.06529	6.6
97.10180	3.1
99.04456	9.2
99.08083	4.2
105.01873	7.6
105.07040	29.7
105.07697	2.1
107.08613	15.1
109.02888	18.3
109.06512	2.3
109.09565	1.3
109.10178	12.2
111.08109	1.2
111.11729	30.4
116.34100	1.0
117.01866	2.8
117.07029	3.8
119.04964	1.5
119.08602	24.0
121.10149	36.8
121.11034	1.8
123.07973	1.0
123.11719	6.3
125.09628	1.5
125.42224	1.0
127.03930	30.6
127.11181	1.7
129.01889	3.1
129.07011	1.8
129.12741	1.5
131.08577	9.2
133.10143	83.1
135.08067	2.5
135.11732	6.9
137.09573	1.5
137.13264	4.8
139.11197	27.5
142.07797	2.4
143.08528	2.8
145.02927	1.1
145.04941	7.9
145.10138	13.5
147.02884	2.1
147.11678	8.9
149.09613	1.9
149.13260	16.1
151.11241	4.7
151.54591	0.9
157.10159	7.0
157.12234	6.1
159.02916	9.6
159.11702	12.4
161.09581	1.0
161.13284	2.3
163.11177	1.6
163.14781	1.3
165.12875	1.4
167.14319	3.0
171.11696	3.0
173.13225	4.7
175.11220	14.7
175.14815	2.6
177.05466	1.9
177.12749	1.7
177.16412	5.2
185.13268	4.0
187.14790	3.0
189.03964	1.6
189.16446	1.8
191.10620	1.0
191.12564	1.1
193.15982	1.2
195.17473	3.4
199.14799	2.3
203.14464	1.2
211.16948	4.2
213.04099	1.3
213.16583	1.7
213.18546	5.4
217.19554	1.2
229.19630	1.6
229.28015	1.2
231.04944	4.8
252.39517	1.1
261.22202	2.0
269.22626	5.0
275.23715	15.6
279.23260	2.9
286.04715	4.3
287.23679	15.0
293.24771	4.5
301.07028	6.7
305.24792	23.5
311.83987	1.1
323.25833	14.4
341.26923	14.2
476.89151	1.1
589.25916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.05519	6.4
57.03436	1.5
57.06825	1.9
57.07082	19.6
59.05007	1.8
65.03932	1.5
65.54295	1.3
67.05510	1.6
69.03430	3.8
69.07065	4.7
71.00150	1.9
71.00488	1.7
77.55007	1.0
78.19815	1.3
81.03434	1.8
81.07063	4.4
81.38445	1.2
83.08618	2.3
85.02913	6.0
87.00803	1.5
87.04482	1.6
89.06033	3.7
93.07042	2.7
95.08607	3.6
97.02887	2.8
97.06566	2.8
97.10186	1.5
99.04465	1.6
105.07037	2.0
107.08588	2.2
109.02888	2.4
109.10152	2.9
119.08538	2.6
121.02907	2.2
124.19279	1.3
124.21834	1.3
127.03917	3.6
131.08549	1.5
133.08600	2.3
133.10150	1.3
135.11690	1.7
145.05006	1.5
149.02359	100.0
161.06091	1.5
169.89690	1.2
175.07513	4.1
187.14882	1.2
203.06963	6.6
205.08632	17.0
221.08151	3.0
231.04865	1.4
277.14380	77.2
278.14856	1.3
295.15433	11.2
349.23761	2.5
367.24771	2.9
396.91083	1.4
588.26611	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	588.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05513	18.7
57.03444	13.4
57.07080	11.7
65.03947	1.9
67.05500	12.2
69.03426	2.4
69.07065	21.6
71.04999	2.3
71.08630	7.8
71.12580	2.4
79.05499	9.2
79.19239	1.8
81.03423	64.1
81.07066	12.0
82.07295	1.8
83.04973	5.9
83.08627	26.0
85.10161	3.6
91.05485	10.8
93.07062	9.0
95.04974	17.0
95.08597	8.4
97.02897	1.7
97.06570	3.2
97.10168	15.1
97.47699	1.9
100.07687	2.5
105.07040	11.1
107.04963	4.3
107.08624	4.9
109.10196	2.7
111.04442	2.4
111.08127	4.4
111.11724	4.7
111.77746	2.1
117.06998	3.2
119.07839	1.7
119.08588	9.9
121.06489	2.9
121.10161	7.3
123.08116	1.9
123.11718	1.8
129.07004	7.3
131.08565	6.3
133.10168	2.8
135.11755	3.6
145.10162	3.1
147.08141	2.0
147.11681	4.7
149.09598	4.5
157.10143	2.6
163.11153	2.3
175.11201	6.9
191.10672	2.6
193.12238	17.6
196.88530	1.6
223.13406	1.9
239.14299	1.8
241.14360	2.5
267.15930	100.0
311.25815	63.2
313.27383	7.6
315.18109	2.6
503.37335	40.7
521.38080	5.2
553.40387	2.3
588.39105	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	589.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
57.03408	0.3
67.05475	0.3
69.07056	0.6
70.12106	1.0
79.05482	0.4
80.02647	0.2
81.07038	0.4
91.05460	1.1
95.04943	0.3
104.83206	0.3
105.07021	0.7
107.04974	0.6
115.05473	1.2
117.06988	0.4
118.04185	1.7
121.02856	1.2
128.06218	0.9
129.06989	0.7
131.67433	0.3
133.06500	0.9
135.11723	0.4
141.06973	0.8
143.04851	0.4
143.08559	1.1
144.05688	0.3
145.06483	0.4
147.04390	0.5
152.06219	0.3
153.01826	0.5
153.06953	0.5
155.08525	1.1
157.06508	1.2
158.07253	0.8
159.08035	0.4
160.05222	4.6
161.06007	8.5
165.07013	0.7
168.05693	1.1
169.06493	0.9
171.07950	0.5
171.13774	0.3
173.05977	0.7
173.09566	0.4
175.07585	1.2
177.11351	0.3
181.06471	0.4
183.08086	1.0
185.06012	2.7
186.06734	1.2
187.07559	1.3
189.05522	0.4
189.09132	5.2
195.04472	0.3
196.05106	0.3
197.06000	1.5
199.07574	0.9
200.04669	1.1
201.05388	0.6
201.09119	1.6
203.07036	1.8
205.08592	0.3
211.07565	1.7
213.05479	1.6
214.06250	7.8
215.07008	1.8
217.08548	1.4
219.02780	0.4
219.10133	0.5
224.04736	0.7
225.05457	0.3
225.23097	0.3
228.07913	0.3
229.08624	2.1
231.10191	0.4
239.07010	1.1
241.04924	0.8
242.05754	1.1
246.05232	0.4
252.04274	0.4
253.04993	1.0
254.05820	0.6
257.04697	0.4
257.08014	0.7
269.04474	2.4
270.05255	7.8
271.06036	0.5
276.04443	0.3
281.04440	0.4
282.05191	0.7
283.02573	0.3
283.06070	0.3
285.03928	0.7
285.07550	0.7
286.01862	0.5
286.04745	3.5
289.10898	0.6
294.05533	0.3
295.06030	0.3
297.04065	1.9
297.07224	0.5
298.04739	42.5
299.05383	1.1
300.06238	0.5
301.03580	0.4
301.07056	6.6
309.04031	0.8
309.07544	0.3
310.04626	1.2
311.05637	0.7
312.06332	0.6
313.07077	100.0
314.07513	0.7
323.05661	0.5
324.06247	1.0
325.06998	2.7
326.04166	1.1
327.05127	0.6
327.08640	0.6
329.06769	0.8
338.04218	0.6
339.05045	0.7
341.06564	8.5
343.08044	1.2
351.08844	0.5
353.06497	1.3
355.07870	1.6
357.09683	0.5
367.07697	0.3
369.06116	0.5
379.08112	0.4
383.07700	0.4
385.09280	2.7
395.12561	0.3
421.09106	0.5
451.11722	0.8
457.09097	0.3
467.11865	0.4
481.09329	0.7
496.11469	0.5
503.13293	1.0
511.13989	1.6
529.14954	3.2
539.05621	0.5
539.13489	8.2
543.16711	0.4
557.14465	27.4
589.17139	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	587.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56081	3.4
57.03428	7.4
57.07081	99.0
58.04214	10.6
59.05004	41.7
66.32149	3.6
67.05499	14.2
69.07061	9.6
71.04998	4.1
71.08640	100.0
72.05787	24.7
73.02908	12.5
73.06566	26.8
79.05497	8.9
81.07049	14.2
82.07859	4.6
83.08608	8.6
85.10194	89.5
87.04465	40.6
89.06039	49.4
90.01927	72.4
93.07031	7.5
95.08615	9.7
95.43903	3.9
96.09402	4.0
97.10159	9.6
99.11749	11.8
101.06013	6.2
103.07586	15.8
105.07021	6.0
109.10148	5.7
116.08313	7.1
116.29628	3.5
117.09137	17.0
118.22186	3.8
119.08575	4.7
131.07054	6.6
133.08586	29.3
138.13957	5.6
141.16402	12.9
147.10153	5.8
163.09596	3.9
165.11258	4.3
169.15926	6.2
177.11229	17.5
178.07112	8.0
179.12813	4.8
180.12259	5.5
185.19090	4.1
187.24274	3.3
198.19823	5.2
199.12677	3.6
199.20555	13.4
208.15500	5.8
209.13635	4.1
222.09729	17.4
222.17007	6.0
243.23190	6.7
252.18126	9.2
266.12466	4.7
266.19708	7.5
282.19208	4.8
285.18088	4.0
296.20807	8.4
312.20142	11.9
335.25827	4.7
348.31076	6.4
372.18665	17.4
436.36490	28.3
489.35989	8.3
587.22552	10.6
587.40527	18.6
598.45215	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	586.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05514	12.8
57.03442	7.1
57.07076	4.0
59.05006	10.4
60.71658	1.0
67.05515	13.8
69.03432	1.9
69.07075	75.2
69.85704	5.7
70.24800	0.9
71.04996	7.2
71.08650	1.7
73.06565	2.8
79.05505	14.8
81.07064	20.5
83.04992	5.1
83.08630	16.9
85.02875	1.5
85.06551	2.6
87.04478	6.2
87.08119	2.3
89.06042	46.6
91.05488	4.0
93.07053	31.7
95.08609	25.1
97.06542	30.0
97.10174	1.4
99.04518	1.7
101.06026	2.2
105.07033	1.4
107.07067	1.4
107.08601	31.9
107.09319	2.2
109.10156	13.9
111.08087	9.6
111.11726	9.0
115.07566	1.8
117.09138	2.4
125.13287	1.1
129.09177	1.7
131.07054	2.9
133.08609	28.3
133.10152	2.2
135.11702	82.0
136.12086	1.1
139.11227	1.2
147.10229	1.7
149.13277	2.3
153.12759	100.0
167.14308	1.5
171.13814	89.4
175.09612	1.7
177.11258	14.1
197.15392	24.5
211.16914	4.4
212.16335	1.5
215.16435	6.7
221.13805	2.6
229.18018	31.4
229.20218	2.2
230.15256	1.2
255.19600	2.4
259.19052	2.1
283.17542	19.9
287.22205	7.6
290.67844	1.2
303.21719	1.4
323.20657	2.6
341.21722	7.0
347.24426	1.7
381.24997	1.7
435.29529	3.4
438.50412	1.2
493.33850	1.4
569.39081	3.7
586.41412	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	586.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
57.07079	63.9
57.66106	0.7
59.05008	13.8
60.31569	0.7
62.32802	0.8
67.05520	1.3
69.07066	2.1
69.81555	1.6
69.81950	1.8
71.08636	65.4
72.66432	0.8
73.06561	3.3
81.07061	2.1
83.08633	1.5
85.10188	62.3
87.04473	8.6
87.08135	1.2
89.06039	100.0
91.05491	1.5
93.07057	1.5
95.08590	1.7
97.10194	0.9
98.20800	1.5
99.11756	6.5
103.07607	5.5
105.07049	1.4
107.07088	2.3
107.08574	1.5
109.06527	1.6
109.10155	0.9
117.06939	0.9
117.09148	3.5
119.08609	2.3
121.10143	1.3
123.16752	0.7
127.14869	1.3
130.08688	2.8
131.07048	4.3
131.08604	1.0
133.08611	75.4
135.08090	1.2
138.09863	0.8
141.16402	7.7
145.10139	1.3
175.09673	3.0
177.11238	30.7
185.19073	1.6
199.20554	6.3
219.12358	1.1
221.13795	6.6
239.14902	2.7
243.23322	3.8
265.16599	2.5
283.17435	3.6
289.90152	0.7
327.20218	4.5
349.46078	1.0
352.51746	0.8
353.21716	1.9
371.22784	23.1
411.25870	4.0
415.25217	3.9
429.27100	1.1
490.44733	0.9
569.42944	4.4
586.45544	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	584.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64372	1.5
53.03937	1.8
55.05513	6.7
57.03428	3.0
57.07082	91.0
59.04712	2.5
59.05008	45.0
62.23633	1.2
66.24940	1.2
67.05499	6.6
69.07069	6.7
69.75933	7.3
70.06594	1.9
71.08640	100.0
73.02904	2.4
79.05499	5.9
81.07063	13.1
83.08602	6.0
83.17637	1.4
85.06579	1.4
85.10191	83.9
85.69026	1.4
87.04507	1.7
88.07624	1.6
89.06047	26.6
89.64756	1.5
91.05496	9.0
93.07061	16.7
95.04966	4.1
95.08625	10.5
97.06563	2.4
99.11742	10.0
101.09662	3.9
103.07591	2.8
105.07040	27.3
107.08598	10.9
109.06529	1.6
109.10153	6.4
117.07017	4.4
117.09148	16.5
119.08593	18.6
120.08911	2.5
121.10169	12.1
123.08080	3.1
123.11726	2.9
128.06227	2.3
129.06985	2.7
130.07816	1.7
131.08615	8.6
133.08659	9.3
133.10149	18.3
135.11705	4.1
137.09688	1.9
141.06976	1.8
141.16405	11.7
142.07779	4.9
143.08566	4.9
144.09299	3.4
145.10136	15.7
146.10628	1.8
147.10036	1.7
147.11713	4.9
151.11288	1.8
151.43588	1.6
155.08582	3.5
156.09383	2.3
157.10152	11.4
159.11720	10.2
161.13283	3.3
165.09224	2.2
167.08543	1.9
168.09415	2.9
169.10156	6.3
170.10841	1.9
171.11752	6.3
173.13286	4.6
175.09668	1.8
175.14836	4.1
177.11282	9.4
179.08475	1.8
181.10182	3.0
182.10927	1.7
183.11703	5.0
185.13251	3.8
186.13994	1.5
187.14824	4.3
191.26523	1.6
193.10275	2.4
194.10825	2.5
195.12140	7.9
197.13321	5.0
198.13844	1.6
199.20590	26.1
203.14349	2.2
207.11754	3.3
209.13210	4.4
210.13904	1.4
211.14806	3.4
219.17506	1.7
221.13329	1.9
221.15410	4.7
222.15756	2.3
223.14761	2.7
225.16385	5.3
227.17902	1.9
235.15038	3.5
240.23315	2.8
247.14870	1.6
249.16083	1.6
253.16467	4.0
257.24768	39.9
275.17596	1.5
293.19522	2.7
300.29016	1.9
311.20660	3.2
311.29498	3.0
315.28870	4.1
371.23132	1.8
385.28821	1.5
403.30035	1.6
492.35248	1.7
511.35284	1.4
536.20251	1.5
541.40479	2.8
566.40826	3.1
567.44629	3.2
584.41193	12.9
584.55670	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	585.3638
Annotation	Terragine E
Peak:m/z	Relative Intensity
50.87424	3.3
53.12881	3.8
55.05512	12.5
57.07090	4.4
67.05518	22.6
67.84750	3.2
69.03426	16.8
69.07063	26.1
71.04994	7.9
71.52385	4.4
76.12900	3.7
79.05494	17.2
80.01758	3.8
81.03429	17.7
81.07058	64.7
83.05006	5.2
83.08622	14.0
85.02910	7.5
85.06525	6.3
87.07232	3.2
91.05483	24.2
93.07050	19.3
95.04964	6.2
95.08615	41.2
96.04496	12.7
97.02896	19.6
97.06519	7.1
97.10197	6.0
99.04459	6.0
99.08080	13.4
105.07041	26.9
107.08599	35.9
109.02886	11.8
109.06558	6.6
109.10158	15.2
111.08076	7.7
111.11745	4.2
119.08603	27.5
121.10142	56.9
123.11720	25.9
125.09628	6.2
127.03929	19.6
127.07595	4.1
133.10143	12.5
135.11682	15.7
137.13268	10.9
143.03477	6.3
145.10155	7.2
147.11696	62.5
149.13263	6.2
161.13220	5.2
163.14821	4.0
165.12761	40.6
175.11203	5.6
177.16396	100.0
178.25729	3.4
183.13838	8.5
193.12186	9.0
195.17477	21.9
197.13455	4.9
211.13235	6.3
213.18517	25.8
217.19588	4.7
229.14366	50.1
274.27502	12.3
274.75693	4.0
285.07507	8.3
319.15207	5.5
337.16544	26.9
355.17435	32.4
373.18335	5.3
381.58911	4.9
407.36813	4.8
425.37988	5.2
438.33878	4.1
585.13507	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	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.1
57.03426	1.4
57.07077	2.1
59.04997	1.6
66.77399	0.6
67.05514	6.9
69.07076	4.3
71.04998	1.1
71.08636	1.2
71.52659	1.0
79.05494	2.7
81.07064	7.1
83.08631	2.2
89.06032	2.3
91.05479	2.8
93.07043	4.6
94.07423	0.8
95.04951	1.2
95.08612	6.5
97.06528	0.9
97.10198	0.9
101.64491	0.7
105.07038	3.5
107.08588	3.2
109.10181	8.4
117.07035	1.0
119.08602	3.0
121.10200	2.2
131.08614	0.9
133.08618	1.0
133.10150	1.4
135.11742	1.8
145.10136	1.7
147.07991	0.8
147.11674	1.0
157.10121	1.1
159.11725	0.9
161.09717	0.8
161.13281	0.8
166.09586	0.6
171.11720	1.0
173.13205	0.7
173.15370	0.7
209.13338	1.0
214.82343	0.7
221.15401	0.8
249.11008	31.3
305.13644	2.5
337.27365	1.8
402.50986	0.7
584.56384	1.0
585.37640	100.0
586.38049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01861	3.0
55.05515	5.0
57.03439	3.1
57.07072	5.5
59.05013	2.3
67.05516	11.1
69.03447	13.6
69.07059	8.0
69.97576	10.9
71.05009	3.3
73.02926	3.0
79.05479	8.2
81.03421	9.5
81.07074	14.5
83.04979	8.7
83.08624	4.6
85.02921	20.2
87.00843	7.6
91.05479	16.2
93.07063	15.8
95.04986	4.5
95.08615	20.4
97.02914	13.7
97.06506	3.5
99.04436	5.7
105.01855	3.7
105.07049	18.8
107.08611	25.4
109.02881	10.0
109.06526	2.8
109.10169	18.1
111.04491	2.2
111.08081	4.5
117.07019	8.5
119.08591	45.4
121.06487	4.8
121.10174	27.7
122.07228	2.1
123.11754	5.0
127.03938	18.9
128.06230	2.6
129.07036	6.6
130.07797	4.3
131.08575	22.0
132.09377	2.4
133.10144	32.2
135.08075	5.0
135.11739	10.7
137.06009	4.7
137.09627	9.5
139.11195	15.1
142.07803	3.7
143.08572	9.0
144.09346	3.2
145.04955	7.0
145.10139	67.3
145.11281	3.3
147.04433	2.5
147.08054	23.8
147.11700	21.0
149.09628	7.6
149.13232	3.0
151.11127	3.7
155.08560	6.3
156.09355	7.8
157.10144	17.6
158.10939	4.1
159.02907	5.1
159.08081	6.8
159.11717	21.1
161.09590	5.9
161.13281	9.2
163.07585	2.8
163.11154	5.3
163.14833	5.3
165.09109	16.4
167.08588	3.0
169.10146	6.8
170.10953	4.9
171.08073	2.4
171.11720	23.0
172.08774	2.5
172.12418	7.1
173.09644	10.1
173.13272	30.6
175.07613	2.5
175.11220	6.5
175.14793	6.8
177.13016	2.7
177.16370	8.3
181.10092	3.1
182.10959	2.4
183.11694	13.0
185.09642	3.8
185.13327	12.8
186.10448	3.1
186.14093	6.2
187.11185	9.8
187.14848	79.6
188.15639	21.2
189.12842	5.8
189.16357	5.8
191.10677	5.0
191.14342	2.3
197.09720	4.0
197.13222	13.2
199.11208	17.3
199.14848	5.7
201.12730	10.3
203.14424	4.2
205.15897	68.2
206.16634	3.6
209.13242	3.5
211.11200	7.2
211.14836	8.6
213.04065	3.4
213.12833	5.4
215.10722	5.2
215.14275	4.5
217.12236	4.2
223.11174	3.0
224.15588	4.9
225.12810	10.1
227.14296	8.5
229.12263	6.7
229.15866	3.0
231.04988	3.3
231.13795	5.3
239.14333	4.6
239.17952	16.4
241.19522	4.3
242.13004	6.0
243.13820	11.5
243.17560	4.8
245.15326	7.6
247.13234	3.5
249.16435	2.7
257.19073	14.5
267.17511	16.6
275.20108	4.4
285.18515	100.0
301.07037	4.6
303.19604	66.8
448.46741	2.2
480.98218	2.7
497.21817	5.0
515.23267	4.4
533.23883	3.2
585.90552	11.1
586.28760	2.5
586.40381	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	584.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11337	2.6
53.03949	2.7
55.05502	11.0
56.44779	2.2
57.07078	13.8
59.04996	4.3
63.88871	2.2
67.05517	16.5
69.03421	6.4
69.07072	12.6
69.29861	3.2
69.30208	23.2
71.08656	4.1
79.05487	16.1
81.03416	4.2
81.07064	23.6
83.04954	2.9
83.08603	7.0
84.08166	3.8
85.02853	2.8
85.10159	5.2
89.06046	18.8
91.05492	29.1
93.07048	33.5
95.04952	9.1
95.08611	25.4
97.06551	5.7
105.07036	51.8
107.08620	31.3
109.06509	5.3
109.10172	15.7
111.08110	3.2
113.99175	2.5
115.09168	2.8
117.07040	14.0
119.06173	2.3
119.08595	60.9
120.09411	3.1
121.06500	6.1
121.10139	22.6
123.08067	10.8
123.11672	4.0
125.05989	2.9
125.09635	2.9
128.06226	7.1
129.07034	13.0
130.07787	4.3
131.08588	34.5
133.06421	2.8
133.08659	11.8
133.10143	24.8
135.08049	8.2
135.11694	10.2
137.09618	11.0
139.11139	4.1
141.07018	4.8
142.07825	15.2
143.08582	22.1
144.09341	6.5
145.06525	3.5
145.10144	45.6
147.08080	13.2
147.11711	14.9
149.09593	7.1
151.07526	6.2
155.08575	12.7
156.09341	9.9
157.10141	41.3
158.10837	3.4
159.08063	5.8
159.11696	23.4
160.08859	23.2
161.09586	5.2
161.13228	5.2
163.11185	9.3
165.09138	20.9
165.93797	2.7
167.08601	5.1
168.09369	3.9
169.10210	14.6
170.10866	4.6
171.08186	3.6
171.11687	21.0
172.12442	6.9
173.13272	16.8
175.11168	9.0
175.14796	9.1
177.12784	3.3
179.08554	3.9
181.10121	10.0
181.12198	9.6
182.10918	5.8
183.11746	15.4
184.12509	3.4
185.13293	14.3
186.56435	2.3
187.11208	4.2
187.14845	7.6
189.12708	5.5
190.13521	4.3
191.14215	4.0
192.09424	2.9
193.10156	6.3
193.12186	5.3
194.10979	4.6
195.11696	11.6
197.13327	15.7
198.14006	3.0
199.11195	3.9
199.14868	3.6
201.12711	5.4
201.16531	3.0
203.14323	12.5
207.11670	9.3
207.13765	6.9
208.14552	6.1
209.13229	16.0
210.14056	5.1
211.14816	8.4
213.12904	2.9
221.13330	5.9
221.15387	43.0
222.15826	4.5
223.14848	10.9
225.16301	5.1
233.13074	3.7
234.16188	4.8
235.14735	6.7
237.16248	4.2
247.16907	8.6
249.16458	3.4
251.18076	3.5
263.17999	4.2
265.15985	3.3
271.17041	3.0
274.19116	3.0
285.17114	2.9
286.19177	10.1
299.20078	7.8
311.19742	4.1
311.29425	3.1
325.21597	8.1
337.21637	7.3
339.29016	6.7
343.08292	3.1
352.19958	4.8
352.23978	62.7
365.24765	8.5
371.22775	6.3
391.25708	2.4
398.28006	3.7
404.30704	6.1
412.29807	14.4
438.31305	10.4
489.33792	5.7
491.35394	9.3
492.35315	11.1
504.36011	100.0
549.41241	8.0
584.42059	34.9
584.55884	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05523	8.1
56.73374	1.4
57.07085	10.9
57.45927	1.4
59.05012	2.9
64.22151	1.4
65.03922	2.1
67.05516	12.5
67.98696	1.3
68.06947	1.3
68.17962	1.6
69.03443	5.5
69.07080	8.4
70.06617	1.4
71.01958	2.9
71.08635	2.1
71.10548	1.3
79.05505	14.8
81.07068	19.5
82.07433	1.5
83.04991	3.8
83.08638	4.0
85.06544	4.2
85.10213	1.7
89.06033	10.1
91.05487	24.0
93.07057	30.5
95.04984	5.5
95.08624	22.2
97.06531	2.4
103.05460	2.6
104.43135	1.5
105.07043	46.0
106.07845	2.9
107.08601	24.9
109.06529	5.2
109.10180	10.9
111.08091	1.9
115.05471	2.5
117.07023	12.4
118.07862	2.1
119.08597	53.1
120.09444	2.5
121.06515	4.4
121.10148	22.2
123.08076	11.9
123.11737	4.0
125.06021	4.2
128.06242	6.3
129.07025	11.1
130.07797	5.7
131.08598	27.6
132.09325	2.1
133.08618	5.8
133.10146	31.2
135.08069	11.7
135.11713	10.0
137.09630	8.0
139.07634	1.3
141.06996	4.7
142.07776	10.7
143.08569	22.1
144.09393	7.4
145.10138	39.3
147.08067	17.0
147.11717	11.4
149.09644	8.2
149.13284	2.6
151.07555	5.4
155.08583	8.8
156.09340	10.5
157.10147	35.8
158.10925	6.7
159.08104	6.0
159.11702	23.4
160.12354	2.0
161.09622	5.8
161.13301	4.8
163.11180	6.4
165.07001	3.1
165.09125	19.9
166.09476	1.7
167.08620	4.6
168.09392	3.5
169.10146	15.1
170.10925	8.4
171.11714	25.4
172.12465	4.8
173.09641	3.8
173.13272	14.0
175.11214	6.5
175.14899	7.8
177.11365	1.8
177.12813	4.0
179.08684	3.6
179.14275	1.3
180.09224	2.0
181.10127	9.3
181.12257	6.4
182.10945	4.9
183.11732	19.4
184.12398	2.7
185.13278	13.0
187.11229	2.9
187.14874	7.5
189.12770	6.5
190.13553	3.1
191.14352	2.5
192.09361	1.8
193.10185	7.8
193.12257	5.8
194.10905	4.5
195.11732	12.1
195.13596	2.7
196.12379	3.3
197.09669	1.8
197.13260	16.7
198.13957	2.5
199.11192	4.5
199.14861	5.7
201.12738	4.4
201.16336	3.5
203.14340	13.9
206.10927	3.2
207.11707	5.1
207.13882	6.6
208.12495	3.1
208.14529	4.9
209.13290	12.1
210.13882	2.2
211.11238	2.9
211.14880	7.3
213.12750	2.4
215.14186	1.9
217.15927	2.9
219.11760	2.6
219.13837	2.4
221.13356	5.7
221.15364	48.2
222.09941	1.7
222.13921	3.1
222.15845	3.7
223.11273	2.1
223.14778	7.1
225.12758	3.0
225.16428	3.9
227.14360	2.4
229.15912	1.7
234.16164	7.7
235.14836	5.6
236.76845	1.4
237.12743	3.3
237.16469	5.5
239.17976	3.6
246.14243	1.8
247.14760	2.0
247.16986	9.3
249.16420	3.5
251.17931	2.7
253.19667	2.3
256.26193	2.4
259.14847	1.7
259.17175	1.5
260.15527	1.6
263.17935	1.8
265.15945	1.7
265.19458	1.6
271.17032	1.7
271.20578	3.1
274.19388	1.9
279.17401	1.7
281.19064	4.1
286.19293	2.8
287.20200	2.5
296.21146	2.0
297.18771	1.5
299.20157	7.5
300.20706	3.9
300.28906	2.6
311.20126	1.8
311.29559	3.0
312.20834	1.8
312.24301	3.1
324.24417	1.8
325.21698	9.8
325.24908	1.6
329.22656	1.5
337.21713	6.2
349.21390	1.5
352.24023	60.7
353.24622	1.5
365.24817	13.7
371.22693	6.4
376.27438	1.6
378.25458	2.7
383.25916	3.0
391.26297	2.6
397.27441	1.9
398.28305	5.1
404.30704	4.7
411.28983	2.2
412.29800	11.4
425.30679	2.2
438.31335	13.8
489.33563	5.4
491.35370	11.7
492.35507	6.6
504.36017	100.0
505.36618	1.7
549.40485	1.8
566.41351	2.5
569.39893	1.8
584.42072	29.5
584.55914	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.8
53.03939	2.0
55.05517	5.4
57.07090	5.9
58.80297	0.7
59.05008	3.9
65.03934	0.8
67.05507	11.4
69.03431	5.6
69.07075	5.1
69.51797	2.9
69.52219	2.5
79.05498	10.5
81.07071	15.6
83.04991	2.4
83.08628	1.9
85.06543	2.3
89.06039	1.4
91.05490	18.0
93.07056	23.0
95.04984	6.2
95.08620	18.2
95.09177	1.3
96.20069	0.7
97.06545	3.4
97.10164	1.0
98.21462	1.8
103.05473	0.8
105.07040	30.3
107.08604	17.5
109.06540	4.3
109.10172	11.2
109.40728	0.8
111.08098	3.5
115.05452	1.6
116.50694	0.7
117.07028	6.4
119.08596	36.9
121.06551	3.6
121.10164	19.8
122.07288	1.3
123.08082	12.9
123.11707	2.6
125.06009	1.3
125.09687	1.1
128.06253	3.6
129.07013	5.4
130.07805	2.0
131.08577	14.2
133.06487	1.5
133.10147	21.4
135.08070	9.0
135.11694	9.3
137.09621	15.6
137.10588	1.0
141.06995	2.1
142.07811	6.2
143.08575	12.3
144.09332	3.2
145.06543	1.3
145.10135	25.4
147.08046	20.5
147.11702	8.3
149.09688	3.4
149.13260	1.3
151.07533	7.2
151.11221	2.2
153.06960	1.2
154.07858	1.0
155.08575	5.9
156.09309	5.8
157.10144	16.7
158.10930	2.1
159.08102	2.6
159.11700	11.5
161.09616	4.2
161.13293	6.1
163.11211	4.5
165.06993	2.2
165.09135	39.1
166.07848	1.0
166.29921	0.8
167.08641	2.0
168.09364	2.0
169.10184	6.9
170.10953	3.0
171.11710	11.6
172.12451	1.5
173.09631	1.8
173.13264	7.7
175.11249	1.8
175.14842	5.5
177.09215	0.9
179.08636	2.8
179.10701	1.1
180.09384	2.0
181.10161	4.4
181.12289	3.2
182.10988	1.8
183.11690	8.8
185.09656	1.1
185.13289	6.4
187.14828	4.3
189.12784	2.6
191.14334	1.7
193.10220	2.6
193.12196	0.9
194.10968	2.6
195.11705	5.6
196.12474	1.8
197.13254	6.4
199.11221	1.1
199.14870	2.1
201.12694	1.7
201.16345	1.4
203.14342	14.5
205.15785	0.9
206.10963	1.3
207.11725	3.7
207.13867	4.2
209.13342	5.7
211.11375	1.1
211.14923	2.9
213.12735	1.4
213.16370	1.0
217.15927	0.8
220.12491	1.5
221.13426	3.7
221.15382	100.0
222.13969	1.1
222.15887	1.0
223.14891	3.5
225.12898	1.0
225.16483	1.5
229.16032	1.0
233.13258	1.9
235.14868	3.8
237.16585	1.8
239.17970	1.6
245.13318	1.0
247.14754	1.6
247.17094	1.3
249.16475	1.3
263.18155	1.4
265.19592	2.3
275.17966	1.6
277.19543	1.7
279.17651	0.9
285.18610	1.0
286.19525	1.2
287.20380	1.5
297.22290	1.5
299.20093	2.3
325.21793	1.4
352.24060	3.1
365.24756	1.8
377.24857	1.3
378.25436	1.4
411.28983	1.5
437.30844	1.7
446.31747	1.0
473.34171	6.0
491.35196	7.1
503.35117	6.1
548.40320	1.5
565.40552	8.7
583.41382	29.8
599.41376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.0
53.03935	4.7
55.01848	1.0
55.05513	11.7
57.05595	0.9
57.07066	6.7
59.04997	2.4
62.28334	1.1
64.48836	1.0
65.03929	1.7
67.05184	1.2
67.05508	17.0
68.12511	1.0
69.03413	5.0
69.06732	1.2
69.07066	11.8
69.15296	10.4
71.04985	1.2
71.08648	1.1
79.05491	16.8
81.07055	20.1
83.04987	5.8
83.08633	5.1
85.06540	4.2
85.10374	1.0
87.04478	1.3
88.11012	1.1
91.04912	1.6
91.05478	30.5
93.07045	37.6
93.07640	2.1
93.30527	0.9
95.04958	9.4
95.08606	25.0
95.21854	1.0
97.06546	5.4
98.20728	2.3
103.05447	3.1
105.04535	1.7
105.07030	49.4
107.04958	1.2
107.08590	31.4
109.06542	6.0
109.10159	16.3
111.08103	1.8
115.05447	4.6
116.06196	2.0
117.07006	12.3
119.06039	1.1
119.08579	50.3
121.06506	2.9
121.10140	39.9
123.08064	12.0
123.11714	5.8
125.05997	1.8
125.09639	2.9
128.06219	6.9
129.07004	12.0
130.07780	4.3
131.08566	22.7
133.06508	2.4
133.10126	30.8
135.08047	6.5
135.11722	10.6
137.09633	7.0
139.11198	1.9
141.06947	5.4
142.07791	14.1
143.08565	27.3
144.09320	4.0
145.10123	38.2
147.08057	7.1
147.11664	11.7
149.09601	7.5
149.13266	3.0
151.07544	10.4
151.11241	1.6
153.07031	3.1
154.07797	2.1
155.08545	12.0
155.10565	2.4
156.09337	10.9
157.10138	35.1
158.10925	4.2
159.08064	3.6
159.11687	20.1
161.09621	4.8
161.13275	4.4
162.60553	1.1
163.11208	4.0
165.07004	4.1
165.09132	10.9
166.07829	1.5
167.08536	6.5
167.10657	23.3
168.09380	4.1
169.10121	19.4
170.10922	5.8
171.11690	20.2
173.09612	3.1
173.13235	16.5
175.11208	3.5
175.14784	6.5
179.08551	9.6
180.09363	3.7
181.10104	12.6
181.12282	4.2
182.10898	7.0
183.11693	21.1
183.13245	1.7
184.12468	3.3
185.09673	1.3
185.13252	12.5
187.14882	5.6
189.12773	5.8
191.14355	4.4
192.09366	2.6
193.10127	11.1
194.10880	7.2
195.11688	15.0
196.12456	2.7
197.13274	15.1
199.11198	2.5
199.14809	10.4
201.16449	3.1
203.14262	5.6
205.10214	3.1
205.15929	1.3
206.10910	4.5
207.11713	14.9
207.13811	6.2
208.12506	4.3
209.13257	15.7
210.13988	1.7
211.11148	1.7
211.14845	9.3
213.12717	1.9
213.16415	3.2
215.14355	3.2
217.10188	2.6
217.15918	5.9
218.10942	1.8
219.11740	4.6
220.12503	4.4
221.13254	12.3
221.15416	22.3
222.13963	2.1
223.11406	1.1
223.14819	12.4
224.15605	2.1
225.12732	2.4
225.16403	4.6
227.14336	2.2
230.10925	2.3
231.11751	4.8
231.17632	1.3
232.12451	2.7
233.13257	6.4
233.15442	6.7
234.14027	3.0
235.14784	8.3
236.15474	1.3
237.12755	1.3
237.16318	5.4
239.18021	2.8
241.19411	1.4
243.11711	1.8
243.17506	1.4
244.12520	3.1
245.13263	5.7
246.13959	3.4
247.14838	6.6
247.17102	2.1
248.15662	3.3
249.16319	7.4
250.17143	1.2
251.18030	5.8
253.19606	2.4
255.17545	1.3
257.13284	3.4
257.18994	3.7
258.14063	2.1
259.14905	4.2
260.15674	3.0
261.16394	5.2
263.17920	5.5
264.57217	1.2
265.19577	5.6
269.13196	1.1
269.19067	4.6
271.14673	1.6
271.20807	1.3
272.15662	1.8
273.16202	4.9
274.17264	1.4
275.17996	6.5
277.19510	2.8
279.21063	1.4
281.19055	1.7
283.20605	9.8
285.16330	2.4
287.17877	2.4
289.19464	2.5
290.20273	1.3
293.19095	1.7
295.20609	3.4
297.16339	1.3
297.22113	1.8
299.20361	2.1
301.19385	2.5
303.21097	1.2
307.20587	2.0
317.22498	1.2
321.22061	1.3
329.22623	1.3
331.24261	2.6
335.23718	1.9
343.24347	1.5
347.23834	2.9
349.25409	2.9
355.51212	1.0
357.25970	1.9
361.25421	1.4
365.24945	1.4
375.26770	3.0
377.71945	1.3
385.29041	1.8
401.28555	1.7
403.29974	4.3
427.30212	1.7
491.34824	3.2
503.35120	2.4
509.34018	1.5
527.34631	1.2
547.39441	3.9
565.40405	19.1
583.41431	100.0
584.42236	1.2
599.60388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.6
53.03947	5.8
55.01857	1.0
55.05309	1.0
55.05516	11.8
57.07084	10.8
59.04996	3.5
65.03932	3.6
67.05509	22.0
69.03443	7.7
69.07072	15.2
71.04989	1.4
71.08642	2.1
71.52568	1.3
77.03889	2.0
79.05496	20.4
81.07065	26.9
83.04998	5.3
83.08615	7.8
83.34393	1.1
85.06561	5.5
85.10188	1.7
87.04470	1.1
91.05484	42.4
93.07048	44.7
93.87828	1.3
94.25832	1.0
95.04979	9.8
95.08613	31.1
97.06528	3.9
97.10170	2.2
98.47088	1.0
103.05482	3.1
105.04527	1.3
105.07039	64.3
107.04953	1.1
107.08601	38.5
109.06518	7.1
109.10169	19.6
111.08091	3.5
115.05460	4.7
116.06244	2.1
117.07027	14.0
119.08591	73.7
121.06551	5.8
121.10152	41.2
121.11041	1.6
123.08078	14.3
123.11703	5.8
125.06003	3.0
125.09651	1.9
128.06232	11.0
129.07011	17.2
130.07808	5.9
131.08586	28.9
133.06520	2.3
133.07623	1.0
133.10139	34.1
135.08037	9.8
135.11711	12.2
137.09610	11.1
139.11177	1.8
141.06966	7.0
142.06747	2.2
142.07788	21.1
143.08569	37.4
144.09358	7.8
145.06554	1.6
145.10127	42.5
147.08058	16.3
147.11687	13.2
149.09604	5.7
149.13272	2.5
151.07561	14.6
151.11174	1.5
153.07043	4.8
154.07716	2.6
155.08571	14.8
156.09358	16.2
157.10133	49.3
158.10910	7.6
159.08084	4.5
159.11694	23.9
161.09624	5.1
161.13301	7.2
163.11153	6.7
165.07065	7.1
165.09125	31.4
166.07791	3.4
167.08600	8.2
167.10710	8.8
168.09384	7.0
169.10144	22.9
170.10904	7.8
171.08107	1.3
171.11703	29.0
172.12370	1.5
173.09689	3.0
173.13266	20.2
175.11252	3.0
175.14795	8.6
178.07855	2.2
179.08534	14.2
180.09386	7.2
181.10112	15.7
181.12204	8.3
182.10959	8.8
183.11719	22.5
184.12488	4.2
185.09673	2.9
185.13268	17.1
187.11266	1.8
187.14778	6.5
189.12827	5.9
191.08644	2.4
191.10707	1.4
191.14323	8.3
192.09364	4.0
193.10144	13.0
193.11971	1.6
194.10928	11.9
195.11714	20.2
195.13461	2.1
196.12463	5.8
197.09608	1.3
197.13251	18.3
198.14085	1.4
199.11176	1.6
199.14839	10.9
201.12738	1.7
201.16490	2.4
203.08516	1.8
203.14296	11.4
204.09460	1.3
205.10109	4.3
205.15919	1.4
206.10938	5.8
207.11722	17.9
207.13785	6.0
208.12537	7.1
209.13293	23.7
209.15169	1.7
210.14018	2.0
211.14830	10.0
213.12854	2.7
213.16408	3.2
215.14386	2.2
217.10104	3.5
217.15843	8.7
218.10953	2.1
219.11696	6.8
220.12465	6.0
221.13281	13.3
221.15430	55.9
222.14070	3.8
223.14810	13.4
224.15627	2.5
225.12865	3.0
225.16382	5.5
227.14336	3.3
229.10231	1.6
229.15884	1.8
230.10921	2.3
231.11717	5.4
231.17514	2.8
232.12515	4.3
233.13281	10.1
233.15479	3.8
234.14082	2.9
235.14854	11.8
236.15652	2.3
237.12958	1.5
237.16446	8.4
239.14276	1.9
239.18010	3.2
241.19603	1.4
243.11748	2.2
243.17406	2.0
244.12547	2.1
245.13245	5.7
246.14110	4.3
247.14799	7.8
247.16977	1.3
248.15665	3.2
249.16393	9.2
250.17143	1.9
251.18015	7.6
253.16077	1.5
253.19623	1.4
255.17477	2.8
257.13168	1.7
257.19049	7.8
258.14035	2.2
259.14871	7.3
260.15707	5.2
261.16312	7.2
263.18018	5.1
265.19507	8.0
267.17545	1.9
269.13202	2.0
269.19003	3.5
271.14874	2.5
271.20593	1.5
272.15460	1.3
273.16266	5.2
274.17197	2.6
275.17917	9.8
276.18915	1.6
277.19678	3.4
279.21213	1.3
281.19022	3.3
283.20593	14.9
287.17685	2.3
287.20416	2.0
288.18573	1.2
289.16086	1.4
289.19568	3.6
290.20453	1.5
291.21094	2.1
293.18982	2.6
295.14948	1.3
295.20706	3.1
297.22195	4.9
299.20380	1.4
300.21024	2.1
301.19308	2.5
303.21085	2.2
305.19089	1.4
307.20663	2.3
309.22195	2.2
313.19366	1.4
315.21082	2.2
317.22809	2.5
321.22235	1.5
327.21048	1.5
329.22549	1.9
331.24023	7.0
335.23831	2.1
343.24438	2.0
349.25195	7.3
352.24014	1.6
357.26028	2.4
359.23663	2.0
365.25043	1.9
366.25226	1.5
373.25473	1.6
375.26761	7.2
375.90845	1.2
403.29941	5.6
413.28659	1.7
491.35239	6.0
503.35220	5.0
509.34235	1.9
547.39478	2.9
565.40356	21.7
583.41498	100.0
584.41742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47455	1.0
53.03944	2.9
53.08319	1.0
55.01857	1.5
55.05515	10.0
57.07078	8.6
59.04998	3.7
65.03932	2.0
67.05510	15.7
69.03432	5.5
69.07074	12.9
69.28479	4.1
69.28918	4.8
71.08627	0.9
77.03941	1.5
79.05497	17.5
81.07064	25.7
81.67538	1.0
83.04974	4.1
83.08625	5.5
85.06548	4.9
91.05485	27.9
93.07048	38.7
93.07646	2.0
95.04980	6.7
95.08616	25.2
95.90736	1.4
97.01488	1.0
97.06535	4.0
97.10188	2.0
101.57664	1.0
103.05468	3.5
105.04598	1.3
105.07037	63.5
107.08603	33.1
109.06531	7.3
109.10162	15.1
109.64024	1.1
111.08076	1.6
115.05474	4.1
117.07027	11.0
119.06076	1.2
119.08591	58.0
121.06483	6.4
121.10147	35.2
121.11027	1.4
123.08083	12.9
123.11709	4.5
125.05953	2.2
125.09636	1.8
128.06229	7.2
129.07037	10.5
130.07791	4.9
131.08568	24.9
133.06557	1.3
133.10141	29.5
133.11111	2.2
135.08069	7.8
135.11670	8.9
137.09599	7.3
137.13249	1.5
139.07626	1.1
139.11179	2.1
141.07004	5.8
142.07782	16.5
143.08568	29.9
144.09384	4.7
145.10124	33.2
147.08070	15.7
147.11673	12.5
149.09628	7.5
149.13351	2.5
151.07567	13.0
153.06981	2.8
154.07803	2.2
155.08548	14.6
156.09360	14.4
157.10135	40.2
158.10924	6.4
159.08112	2.9
159.11684	18.4
161.09642	3.6
161.13274	6.7
163.11217	4.6
165.07086	5.7
165.09128	27.1
166.07845	2.7
167.08585	7.4
167.10684	8.2
168.09352	6.5
169.10127	18.1
170.10959	7.0
171.11713	23.4
172.12500	2.2
173.09698	3.6
173.13235	16.9
175.11224	3.6
175.14864	6.1
177.12752	1.0
178.07848	1.4
179.08543	8.9
180.09412	5.4
181.10149	12.0
181.12276	4.8
182.10896	6.7
183.11697	21.1
184.12494	3.5
185.13264	14.1
187.11140	1.3
187.14821	5.5
188.11964	1.2
189.12712	5.2
191.08592	1.9
191.14323	5.6
192.09406	3.7
193.10136	11.3
194.10933	10.3
195.11707	18.7
196.12459	4.2
197.13271	17.1
199.11275	1.6
199.14844	11.4
201.12810	1.7
201.16432	3.9
202.01924	1.0
203.14368	12.5
205.10197	2.9
206.10942	4.7
207.11731	15.5
207.13866	5.8
208.12526	5.0
209.13277	22.6
209.15211	1.3
210.14014	2.9
211.11186	1.3
211.14841	10.1
212.15694	1.3
213.12785	2.4
213.16425	3.4
215.14331	2.4
217.10175	3.4
217.15852	8.0
218.11012	1.6
219.11693	6.7
219.17490	1.2
220.12469	4.2
221.13284	11.1
221.15424	51.0
222.14091	2.7
223.14812	13.2
224.15506	1.4
225.16412	4.7
227.14317	3.1
229.10123	1.1
229.83246	1.1
231.11717	3.4
231.17484	2.7
232.12558	3.1
233.13254	6.8
233.15471	4.5
234.14026	3.7
235.14830	9.4
236.15585	2.0
237.16402	4.9
239.14302	1.9
239.17989	3.3
241.16095	1.2
243.11708	1.6
244.12468	2.1
245.13239	6.6
246.14117	3.2
247.14673	6.7
247.17000	1.8
248.15552	2.0
249.16370	6.9
250.16998	1.8
251.17989	4.3
253.16016	1.6
253.19643	1.5
257.13290	2.6
257.19089	5.3
258.14093	2.2
259.14893	4.3
260.15643	4.8
261.16382	7.4
263.18051	4.5
265.17114	1.3
265.19559	7.9
269.19006	3.1
271.15262	5.8
271.20587	2.5
272.15543	2.0
273.16415	4.6
275.17889	9.2
277.19656	3.2
279.20847	1.7
281.18906	2.5
283.20554	12.4
285.16208	1.5
287.17581	1.8
287.20325	2.7
288.18777	1.6
289.19568	3.9
291.21384	1.3
295.20682	3.4
297.22192	3.4
301.19330	1.7
303.21066	2.6
307.20566	2.7
309.22217	2.7
311.17792	1.9
315.20941	1.9
329.22748	1.9
331.24298	4.2
335.23846	1.7
347.23618	2.5
349.25262	5.5
352.23868	1.5
357.25613	2.6
361.25403	2.1
363.27252	1.3
365.24863	1.5
373.25186	1.8
375.22586	1.6
375.26590	5.5
403.30005	4.6
491.35004	4.5
503.35226	4.3
547.39337	3.0
550.37787	1.3
565.40381	23.7
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
53.38304	1.6
55.05502	5.9
57.07077	8.2
59.05002	3.8
60.52632	1.5
67.05505	12.6
69.03442	3.5
69.07063	5.8
71.08636	3.8
71.54009	1.9
76.63126	1.8
79.05494	10.1
81.03447	1.8
81.07061	16.3
83.08639	2.4
85.06537	1.7
91.05496	17.1
93.07040	22.6
95.04972	3.7
95.08614	21.0
97.06526	1.6
105.07037	27.3
107.04941	3.7
107.08601	18.1
109.06551	2.6
109.10182	9.2
115.05458	2.5
117.07027	5.1
119.08585	27.4
120.09011	1.4
121.06516	3.0
121.10155	17.5
122.07310	1.8
123.08080	12.0
123.11755	3.7
125.09627	2.2
128.06241	2.5
128.27428	1.6
129.07004	5.8
131.08591	13.6
133.06451	1.8
133.10158	16.8
135.08099	8.1
135.11670	4.1
137.09619	9.4
139.11195	1.9
142.07771	8.1
143.08571	13.0
144.09303	1.5
145.10130	19.7
147.08058	17.1
147.11711	5.5
149.09624	3.4
151.07530	14.0
155.08563	3.7
156.09346	7.2
157.10132	22.6
158.10971	1.8
159.08116	1.7
159.11702	13.1
161.09596	3.8
161.13286	4.2
163.11217	3.7
165.07037	3.1
165.09122	28.3
167.08565	2.4
169.10120	9.1
170.10883	4.1
171.11716	12.8
173.09572	2.2
173.13208	7.7
175.11179	2.4
175.14842	4.6
179.08632	5.0
180.09253	2.5
181.10172	7.8
181.12227	4.0
182.10965	3.1
183.11719	10.8
185.09691	2.5
185.13193	9.0
187.14856	5.1
189.12758	5.1
193.10144	5.5
194.10938	2.9
195.11740	6.7
196.12512	1.8
197.11789	1.8
197.13318	9.4
199.14894	2.0
201.16425	2.5
203.14328	10.7
207.11755	5.5
207.13829	4.4
208.12434	1.9
209.13297	8.8
211.14847	2.8
213.16455	2.9
219.11717	2.1
220.12527	3.4
221.13339	3.0
221.15363	46.2
223.14824	4.1
225.16310	2.3
231.17531	1.8
233.13200	3.9
233.15410	2.4
235.14967	2.7
237.16504	2.3
239.18103	2.3
247.14848	5.4
249.16467	2.2
251.17993	2.0
259.14734	1.8
263.18027	3.7
271.20590	1.9
275.18057	2.8
277.19333	3.2
283.20569	2.8
295.20578	1.9
297.22092	3.9
299.20084	2.3
341.30649	1.6
349.25302	1.7
357.25818	2.5
365.24951	2.4
375.26831	3.2
384.91055	1.6
385.28531	1.8
403.29971	6.4
440.27460	1.7
473.33932	1.9
491.35321	2.3
503.35422	4.6
509.34341	2.7
565.40350	22.3
583.41437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.01885	2.6
55.05523	25.7
57.03439	17.9
57.07080	11.2
59.05006	5.1
62.64929	2.7
67.05513	67.1
67.60463	2.7
69.03443	4.3
69.07077	31.3
69.30954	13.8
69.31375	6.4
71.04990	3.8
71.08640	5.0
79.05505	36.5
81.03432	42.9
81.07063	71.9
83.04995	14.0
83.08628	27.2
85.02913	16.3
85.10195	4.0
91.05493	37.1
93.07061	36.1
95.04981	22.7
95.08616	44.1
97.06516	5.6
97.10194	7.8
99.08118	2.9
105.07046	34.8
107.04987	6.0
107.08610	14.7
109.06521	5.9
109.10195	15.8
111.08096	8.7
113.06010	2.7
117.07070	6.5
118.27437	2.9
119.08607	29.3
121.10159	17.9
123.08082	6.6
123.11739	6.4
127.07587	2.8
129.07022	10.4
131.08566	12.7
133.10144	22.1
135.11775	5.9
135.12814	2.8
142.07784	4.5
143.08490	3.1
144.09335	2.7
145.10153	7.9
147.08034	3.2
147.11687	14.9
149.09653	3.9
155.08575	5.8
157.10191	15.3
161.13246	4.2
169.10170	3.3
171.11720	4.8
173.13254	3.6
175.11220	9.5
182.10759	2.7
185.13280	2.7
193.10571	4.7
193.12270	31.0
197.13364	3.3
211.13283	44.1
223.28207	2.5
267.16022	12.6
278.19159	2.9
285.17004	49.3
337.27383	100.0
529.39105	12.1
547.39984	92.5
582.40594	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08050	0.6
58.54811	0.6
58.66893	0.5
60.34495	0.7
62.74501	0.6
67.05503	1.5
67.09904	0.6
69.03446	0.6
69.31397	4.3
69.31815	1.0
93.07059	1.2
95.08633	0.8
105.07024	1.0
107.08614	1.4
109.06508	0.7
109.10185	1.5
119.08635	1.3
121.82532	0.6
131.08521	1.1
133.10168	1.0
135.11720	0.7
144.08096	0.7
151.09218	0.6
161.17072	0.7
171.10463	0.7
181.10233	0.7
204.10193	1.4
213.10280	1.1
216.10257	3.7
220.09808	1.2
223.12390	0.8
230.11795	4.0
235.12292	0.8
237.12621	1.0
242.10498	0.7
245.10539	2.2
250.13466	0.8
251.11882	3.3
252.14969	1.1
258.11337	1.8
259.10559	0.8
261.14114	0.7
264.11258	0.8
265.12244	1.5
276.12180	0.7
278.13086	1.0
280.14392	6.5
290.12903	0.8
292.14529	0.8
296.13882	1.4
301.11859	1.6
304.11868	13.3
304.15262	1.2
306.16080	3.3
307.16833	0.9
313.72818	0.7
314.12701	1.2
315.13675	1.0
319.12878	3.0
327.14005	1.0
328.14478	1.9
330.16229	0.8
340.14661	0.9
341.15414	0.8
342.16031	2.5
343.12927	2.3
343.16843	1.8
344.17639	1.4
356.17487	3.8
366.15894	0.8
372.13574	1.6
373.14139	1.5
374.14914	4.8
386.14868	1.5
387.15808	2.4
400.16452	0.8
402.18106	7.2
421.16309	1.0
423.22394	0.9
435.18155	1.5
436.19067	2.2
449.19916	1.0
451.21533	0.7
463.21335	0.7
481.22574	2.9
495.19916	1.0
506.21127	1.2
509.21860	2.2
523.23676	1.2
565.24200	1.0
568.23047	5.0
583.25519	100.0
584.25922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	17.3
55.05507	26.0
64.73128	12.2
65.36607	13.1
67.05517	47.6
69.03436	32.7
69.07075	34.5
70.05093	60.5
74.38998	11.5
79.05508	27.7
81.03461	15.9
81.07065	65.7
83.08620	22.6
91.05498	27.6
93.07047	41.5
95.08619	98.4
97.02902	100.0
105.07042	43.2
107.08614	61.9
109.10160	61.3
119.08614	57.2
121.10168	33.6
123.11742	24.7
125.02378	36.3
129.05504	18.4
131.08592	13.8
133.10120	28.6
135.11699	30.6
137.13315	18.5
143.03397	54.0
145.10155	19.6
147.11668	35.4
149.13245	13.7
149.93956	13.8
157.04962	42.3
159.11642	23.2
161.13271	33.5
163.14828	13.3
173.13214	15.8
177.16351	14.3
183.35378	13.9
189.16379	33.0
191.18011	29.6
203.17976	28.0
206.76001	13.8
215.17912	17.2
217.19540	36.4
220.92847	14.4
287.05603	27.8
297.21692	13.9
407.36890	79.9
581.13586	29.4
581.29303	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	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89196	1.2
53.03942	2.1
55.01884	1.1
55.05512	7.5
57.03444	1.3
57.07082	12.9
59.04990	5.9
65.03941	1.9
67.05509	11.0
69.03427	5.2
69.07072	11.4
69.93304	3.9
69.93703	2.5
71.04997	1.2
71.08636	9.5
73.02907	2.5
74.91846	1.0
79.05496	15.7
81.07062	23.1
82.92284	1.1
83.04980	2.6
83.08621	4.2
85.06547	3.5
85.10164	8.6
91.05489	27.9
93.06475	2.4
93.07052	29.6
95.04972	42.6
95.08607	13.7
97.06541	2.9
101.52733	1.0
103.05476	3.2
105.07043	55.0
107.04978	1.4
107.08606	32.7
109.06513	7.6
109.10175	10.4
114.96047	1.2
115.05476	4.9
116.06216	1.6
117.07038	15.8
118.07777	1.3
119.04980	2.2
119.08591	52.7
121.06522	4.6
121.10147	26.5
122.07330	2.5
123.08075	10.3
123.11740	4.0
128.06241	10.2
129.07011	14.9
130.07776	6.5
131.08568	32.7
132.09373	1.8
133.06508	4.3
133.10139	21.8
134.07286	1.2
135.08052	11.9
135.11699	5.3
137.09625	3.1
138.10400	2.2
141.07001	8.2
142.07782	14.7
143.08563	47.6
144.09366	8.2
145.06511	4.1
145.10129	49.6
146.07262	3.1
146.10924	1.8
147.08051	7.1
147.11702	13.6
148.08841	1.8
149.09607	6.9
151.11157	3.0
153.06982	4.0
154.07816	3.4
155.08565	17.6
156.09351	13.8
157.10133	44.4
158.10939	8.8
159.08073	11.6
159.11699	20.4
160.08881	1.5
161.09645	13.6
161.13297	2.4
162.10468	1.8
163.11111	1.6
165.07018	8.6
166.07843	4.0
167.08566	10.3
167.10664	7.2
168.09346	8.5
169.10139	26.1
170.10924	7.5
171.08116	4.1
171.11684	26.0
172.08846	2.9
172.12460	2.3
173.09647	9.8
173.13237	11.5
174.10429	2.6
175.11150	6.1
175.14879	3.3
178.07788	2.5
179.08563	10.3
180.09250	6.9
181.10135	19.0
182.10880	8.9
183.08141	2.9
183.11707	23.7
184.12439	3.4
185.09645	7.2
185.13235	11.9
186.10483	1.7
187.11192	10.5
187.14891	4.1
188.12024	4.4
189.09163	3.8
189.12697	7.7
191.08690	2.3
191.14342	7.6
192.09401	3.8
193.10127	15.5
194.10925	8.6
195.08081	1.9
195.11714	24.4
196.08881	1.3
196.12463	5.7
197.09764	6.7
197.13268	21.7
198.10483	3.1
198.14055	3.7
199.11218	14.1
199.14876	7.9
199.20517	1.8
200.11993	2.8
201.12749	5.9
202.13634	1.4
203.08585	2.0
203.14365	4.1
204.09476	1.7
205.10167	3.3
206.10878	7.8
207.11705	17.4
208.12558	6.0
209.09662	2.7
209.13254	19.1
209.15100	1.7
210.10461	3.3
210.14053	4.2
211.11203	9.4
211.14845	8.6
212.12137	2.1
212.15800	1.7
213.12778	8.6
213.16348	4.1
214.13635	2.0
215.10773	2.1
215.14355	5.2
216.15245	1.2
217.10176	3.9
217.15891	2.9
218.10913	2.9
219.11807	6.4
220.12566	4.3
220.14590	1.6
221.09680	1.3
221.13275	12.1
222.10349	1.8
222.14056	4.8
223.11215	5.5
223.14818	12.4
224.11916	2.5
225.12827	8.9
225.16373	2.4
226.13560	2.1
227.14372	12.4
229.10187	2.1
229.12257	1.8
229.16006	1.8
230.10959	2.4
231.11766	5.8
231.13812	1.8
232.12497	3.4
233.13272	8.3
233.15419	4.6
235.11205	2.8
235.14813	9.5
236.15596	1.8
237.12799	4.6
237.16426	3.7
238.13576	2.6
238.17171	2.0
239.14381	4.2
239.17987	4.6
240.15083	2.0
241.15926	4.3
243.11784	3.1
244.12529	2.5
245.13335	6.5
245.15286	2.4
246.14102	3.5
247.14842	9.2
248.15555	2.0
249.12825	3.3
249.16418	6.0
251.14386	4.1
253.15916	7.4
255.17526	4.4
257.13107	2.4
257.15521	2.3
257.19110	1.7
257.24875	2.8
258.14047	2.0
259.14908	3.3
260.15619	2.5
261.12778	1.9
261.16351	7.2
262.17267	1.3
263.14276	2.4
263.18054	3.4
265.15881	4.7
269.19092	2.0
271.14539	1.7
271.17062	4.6
273.18539	52.8
275.14484	2.4
275.17926	2.7
276.18680	1.6
277.15936	4.4
277.19501	1.3
279.17661	1.6
281.19086	3.2
285.16183	2.0
286.19345	5.3
287.14523	1.3
287.20340	1.9
289.15915	9.8
289.19257	2.5
291.17490	4.4
291.21124	3.7
293.19025	2.2
299.20157	21.2
300.20895	2.6
301.19614	2.1
302.16766	1.6
305.19196	1.7
307.20581	3.1
309.22122	1.9
311.20239	2.5
312.20963	2.5
319.20709	5.3
325.21628	4.8
327.21118	1.5
331.20682	2.4
333.22183	2.1
334.22888	3.2
337.21664	19.5
345.22198	1.9
347.20032	1.2
349.21561	1.7
350.22339	1.7
351.23190	3.4
352.23972	100.0
353.24808	6.0
357.22061	2.3
363.23221	7.6
365.24893	9.0
375.23334	1.9
376.24130	5.3
377.25107	1.9
401.28598	2.0
402.86835	1.3
406.28732	1.4
411.26688	1.7
417.27551	1.5
429.28076	3.7
434.28122	5.6
443.29694	2.7
444.30298	37.6
445.30954	5.0
472.33566	2.0
474.87756	1.5
490.34290	17.9
521.37476	1.9
526.34467	2.3
539.38599	1.3
549.37164	2.4
564.39636	4.8
582.40649	83.6
583.40491	1.3
605.38348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03948	1.6
55.01872	1.2
57.03425	0.7
61.02921	0.7
68.99803	1.2
69.03091	0.3
69.03436	4.4
70.06592	0.3
71.04986	0.6
71.36704	0.4
73.02932	1.1
73.71313	0.2
81.03429	6.9
82.06561	0.2
83.04992	0.4
84.08129	0.3
85.02912	5.9
86.48722	0.2
87.00829	1.6
87.04510	0.3
91.05469	0.2
95.01395	0.2
95.04970	0.3
97.02903	5.2
99.04471	2.0
101.02372	0.2
105.01868	1.1
109.02888	9.4
111.04450	0.8
113.02362	0.2
115.03951	0.4
117.01839	0.3
119.04915	0.3
121.02807	0.3
123.04431	0.3
125.02378	0.5
127.03928	100.0
128.04286	0.3
129.01816	1.0
139.03934	0.5
141.01846	1.9
143.03401	0.2
145.04970	2.0
147.02919	0.9
151.03888	0.3
153.05478	1.3
159.02954	0.8
167.07016	0.3
171.02933	0.4
171.06540	0.4
177.05557	0.2
181.04965	0.3
189.03960	0.3
193.04956	0.3
194.83273	0.2
195.02904	0.2
207.06578	0.3
213.03891	1.4
217.05156	0.4
231.04976	1.4
235.06094	0.4
244.03903	0.2
273.06100	0.6
285.06165	0.3
285.74835	0.2
287.05545	2.1
303.07205	0.5
339.07138	0.7
357.08215	1.4
360.17502	0.2
375.09195	1.4
383.10107	0.3
395.52014	0.2
401.07455	0.2
519.13464	0.4
581.23175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.05508	8.6
57.07075	8.4
59.04999	2.8
60.77576	2.0
65.03947	2.3
67.05500	16.2
69.03437	4.9
69.07078	10.8
71.08641	2.6
71.52110	2.2
79.05502	17.3
81.03435	2.2
81.07057	18.2
83.04993	3.6
83.08617	6.4
85.06544	2.2
85.10181	2.3
85.46537	2.0
87.04487	2.0
89.06060	3.6
91.05482	24.7
93.07048	31.1
95.04987	9.0
95.08614	22.1
97.06537	5.4
105.07047	42.9
105.07697	1.8
107.04996	2.1
107.08598	29.4
109.06533	7.4
109.10173	14.6
111.08112	4.3
114.58496	1.9
115.05488	3.5
117.07030	8.0
119.08598	42.4
121.06514	4.2
121.10150	38.8
123.08073	15.3
123.11703	7.3
128.06284	5.9
129.07042	7.1
131.08577	17.5
133.08612	3.2
133.10133	38.6
135.08102	7.2
135.11673	10.2
135.64771	2.0
137.09651	4.8
139.11205	3.5
141.06989	4.4
142.07758	10.7
143.08583	16.4
144.09402	3.1
145.10135	28.7
147.08040	11.7
147.11678	9.7
149.09618	12.8
149.13322	2.7
151.07597	9.9
155.08588	8.5
156.09377	8.2
157.10133	25.4
158.10973	4.5
159.08076	6.6
159.11693	15.2
161.09651	2.7
161.13290	4.6
163.11276	5.4
165.09094	14.6
167.08638	4.1
167.09209	2.7
167.10687	30.6
168.09497	2.7
169.10184	9.1
170.10902	3.4
171.11702	16.6
172.12549	2.0
173.09671	6.9
173.13196	15.2
175.11182	4.0
175.14919	5.9
177.09035	2.6
179.08595	6.1
181.10144	6.8
181.12309	7.4
182.10950	4.8
183.11697	12.5
184.54556	2.2
185.09726	3.1
185.13313	6.4
187.11165	3.1
187.14859	9.5
189.12845	5.0
191.14456	2.1
192.09349	2.4
193.10132	6.5
193.12131	2.7
194.10954	5.1
195.11847	10.2
195.13585	2.9
196.12477	4.7
197.13165	10.1
199.11314	3.1
199.14841	8.2
201.12779	2.4
203.14293	4.3
206.10928	5.1
207.11703	8.6
207.13702	4.0
209.13290	9.9
210.13957	2.2
211.11320	2.1
211.14859	8.4
213.12830	2.4
213.16371	4.2
215.14398	6.3
219.11729	3.9
220.12529	3.1
221.13318	8.7
221.15424	37.1
223.14886	6.3
225.12726	3.3
225.16422	4.3
227.14380	2.4
231.11739	4.2
232.12492	3.2
233.13318	4.6
233.15254	12.1
235.14882	5.3
237.12743	2.5
237.16437	3.4
243.11798	2.5
244.12555	2.5
245.13216	4.3
247.14864	4.3
247.17076	3.4
251.17888	3.7
257.13318	3.0
259.14731	4.2
261.16364	4.3
265.19458	2.6
269.19012	2.9
271.14859	2.4
273.16214	4.3
275.17944	3.0
277.19717	2.4
293.18945	2.9
312.20963	6.7
325.19385	2.5
373.25269	6.3
545.37964	3.2
563.39001	15.5
581.27502	7.5
581.39917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.4
57.03434	0.9
61.00962	0.3
61.02922	0.6
67.05506	0.5
68.99800	0.3
69.03433	3.6
69.07064	0.4
70.06593	1.2
71.04873	0.4
72.26001	0.3
73.02906	0.4
81.03416	0.8
82.06583	0.4
84.08130	0.7
85.02927	3.1
86.09708	0.5
87.04478	1.8
91.05482	0.5
93.06991	0.4
95.04960	0.5
95.08620	0.4
97.02905	2.8
98.06052	0.3
105.07011	0.4
109.02854	0.5
111.04461	0.3
115.03938	2.0
117.03342	0.5
121.02882	2.0
127.03924	1.2
133.04948	1.8
137.02376	3.0
145.02890	0.9
147.04431	0.5
149.02374	1.7
154.53905	0.3
157.06528	0.3
161.05997	0.4
163.03915	0.4
167.06967	0.4
177.05492	1.3
178.05881	0.7
185.05949	1.4
204.98769	0.3
213.05460	2.7
217.04924	0.3
231.06483	0.9
235.21126	0.3
241.04913	1.9
244.03772	0.6
258.05154	0.4
259.06174	0.4
268.35040	0.3
269.04459	1.3
272.03146	0.4
287.05524	100.0
288.05841	0.6
303.05011	1.1
391.19653	0.6
449.10840	1.7
450.72577	0.3
581.24536	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
57.03440	1.4
61.02930	1.7
61.37057	0.1
67.05505	0.2
69.03441	1.4
69.66866	0.8
70.06580	0.1
71.01345	0.2
72.04395	0.1
73.02919	2.0
81.03411	0.4
85.02911	2.4
91.03954	0.7
93.03391	0.3
97.02900	2.0
104.96091	0.1
109.02877	0.3
111.04437	0.2
115.03971	1.1
121.02876	2.0
123.04382	0.2
127.03909	0.6
133.04947	0.3
137.02348	4.7
137.03343	0.2
145.04985	0.4
149.02351	1.6
150.03111	0.2
157.06505	0.3
163.03922	0.2
163.06012	0.2
167.03485	0.2
167.07016	0.3
169.06378	0.2
175.07516	0.3
185.06001	1.5
197.05920	0.2
203.07062	0.2
213.05461	3.3
231.06516	1.1
231.45435	0.1
241.04967	2.3
255.41830	0.2
258.05231	0.4
259.06039	0.3
269.04453	1.2
287.05511	100.0
288.05737	0.6
449.10913	2.0
486.11887	0.1
503.08258	0.2
605.87659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	NSC641260
Peak:m/z	Relative Intensity
55.01866	0.2
57.03441	0.9
61.02939	1.0
65.03958	0.2
67.05484	0.1
69.03436	3.6
71.51228	0.2
73.02910	0.4
80.49136	0.1
81.03420	0.4
81.07045	0.2
81.69303	0.1
83.04989	0.1
84.08175	0.2
85.02436	0.2
85.02910	2.9
87.04473	2.2
91.03956	0.4
91.05481	0.2
93.03389	0.2
93.07043	0.1
95.04969	0.3
97.02894	2.6
97.06475	0.1
99.04479	0.2
109.02842	0.2
111.04449	0.1
115.03938	1.7
119.86292	0.1
121.02878	1.9
123.04436	0.3
127.03916	0.4
133.04970	2.2
137.02351	4.4
145.05034	0.1
147.04424	0.3
149.02336	2.2
150.03114	0.2
157.06483	0.4
161.05988	0.2
163.03880	0.2
167.03423	0.4
167.07120	0.1
175.07558	0.2
179.03438	0.2
185.05986	1.5
189.05431	0.1
197.06023	0.1
203.07083	0.3
213.05481	3.6
223.04092	0.2
230.05791	0.1
231.06531	1.2
241.04961	2.3
241.07216	0.2
244.03685	0.7
258.05255	0.5
259.06036	0.3
269.04489	1.1
270.05060	0.2
272.03168	0.4
287.05515	100.0
288.05795	0.6
333.44061	0.1
449.10913	1.4
548.50214	0.1
579.00275	0.1
581.24524	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	581.1508
Annotation	Kaempferol 3-lathyroside
Peak:m/z	Relative Intensity
53.03932	0.2
55.01864	0.2
57.03444	2.6
61.02929	3.4
65.03954	0.1
67.05490	0.1
67.49436	0.1
68.41174	0.1
68.99797	0.6
69.03434	2.8
71.01358	0.6
71.04977	0.3
71.52438	0.1
73.02924	5.7
79.05489	0.2
81.03407	0.5
83.04964	0.2
85.02913	5.0
87.04477	0.6
89.06036	0.2
91.03964	2.2
95.04977	0.1
97.02901	4.3
99.04465	0.2
102.07098	0.1
103.03983	0.2
105.03389	0.3
107.04955	0.5
107.08547	0.1
109.02882	0.4
111.00814	0.6
115.03940	2.2
121.02876	3.5
127.03923	1.6
129.05457	0.1
129.06947	0.2
133.02856	0.5
133.04973	0.4
135.04390	0.2
137.02350	0.7
145.04970	0.9
145.05957	0.1
145.06554	0.1
147.04410	0.8
153.01837	3.2
157.06497	0.5
161.02449	0.1
161.06004	0.1
163.06041	0.6
165.01843	1.4
167.07086	0.2
171.04431	0.4
175.03793	0.2
177.05475	0.1
183.02896	0.8
185.05977	0.5
189.05472	0.2
197.06017	0.2
198.05173	0.1
203.03461	0.2
213.05473	1.2
229.04955	0.2
231.06511	0.8
241.04936	0.9
241.07059	0.2
243.02960	0.2
243.06473	0.3
257.04587	0.2
258.05225	1.0
259.05923	0.7
271.05939	0.1
273.07596	0.2
283.06024	0.5
286.04776	0.4
287.05515	100.0
288.05707	0.7
297.07639	0.2
299.05527	5.5
300.06314	0.8
311.05536	1.4
313.07004	0.6
323.05518	0.2
324.06216	0.1
325.07080	1.1
329.06564	5.6
339.08743	0.5
341.06638	0.4
349.07083	0.2
353.06555	4.0
353.10818	0.2
359.07614	0.5
365.06546	0.5
367.08038	0.2
377.06699	0.3
383.07587	0.8
395.07669	0.8
413.08701	1.1
431.09708	1.7
449.10855	5.1
581.15009	2.8
581.23645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01852	2.0
55.05512	15.6
57.03186	1.1
57.03437	10.1
57.07079	3.6
65.03941	2.8
67.05506	45.0
68.05818	0.8
69.03444	0.8
69.07067	20.3
69.99625	3.3
71.04975	3.2
71.08619	1.4
73.02901	0.8
79.05492	23.6
81.03410	2.4
81.07056	43.9
82.07389	0.8
83.04968	3.2
83.08149	1.2
83.08621	13.4
83.09088	0.5
85.06531	2.0
91.05480	12.0
93.07043	28.6
95.04991	4.1
95.05505	0.9
95.08610	46.1
96.08947	1.3
97.02882	2.2
97.06540	4.3
97.10170	7.6
99.04449	3.0
105.07024	10.9
107.04980	6.4
107.08597	20.7
109.06516	1.7
109.10168	11.6
111.08089	2.3
117.07006	6.0
119.08588	10.2
121.06544	3.9
121.10151	12.6
123.11713	5.2
125.05970	1.4
125.09611	1.1
127.88665	0.7
129.06999	0.9
131.08594	1.7
133.10114	4.6
135.08057	1.4
135.11688	27.1
137.13290	2.3
139.07558	1.0
145.10126	15.8
147.11717	2.2
149.13293	1.3
151.14766	0.9
153.12711	1.0
159.11757	1.2
161.13275	1.9
163.11179	33.4
175.14856	1.3
181.12219	5.5
227.12784	39.8
245.22635	1.5
263.23737	2.5
267.15845	1.0
283.15408	39.0
330.09885	0.8
335.26007	0.9
337.27374	100.0
338.27765	1.2
456.35599	1.5
474.36475	1.8
530.39270	5.1
545.38403	59.1
548.40210	2.8
562.42578	0.9
580.39160	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70701	2.9
53.03917	3.3
55.05524	21.2
57.03425	15.7
57.07067	6.3
59.04992	5.9
59.56881	3.6
67.05510	56.4
69.07063	11.3
69.22787	28.5
71.04971	5.7
71.08630	4.9
79.05070	4.2
79.05493	45.5
81.03423	42.8
81.07056	62.5
83.04976	12.8
83.08626	20.9
83.09049	3.5
85.02904	14.6
85.06525	4.7
85.10165	5.3
89.06038	3.9
91.05497	43.5
93.07046	42.0
95.04977	20.5
95.08608	37.2
97.06558	5.7
97.10119	5.5
105.07036	27.3
107.04929	4.3
107.08587	22.6
109.10171	10.2
110.62782	3.4
111.08087	4.3
114.60213	3.2
117.07066	4.1
119.08576	17.2
121.10161	20.2
129.07028	7.2
131.08611	16.1
133.10118	12.2
135.11671	9.4
142.07861	4.3
145.10077	5.0
147.11676	13.9
157.10146	10.5
159.11723	4.4
175.11166	10.6
175.69789	3.9
193.12233	38.6
211.13316	50.0
236.02730	3.5
258.22641	4.0
261.22006	7.7
267.15884	8.0
284.89563	4.1
285.16940	44.8
335.25812	100.0
527.37146	6.6
545.30566	5.9
545.38428	83.7
555.41626	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	581.1503
Annotation	NSC641260
Peak:m/z	Relative Intensity
57.03440	2.3
61.02924	2.9
66.90871	0.4
68.09454	0.4
69.03440	3.7
69.96103	2.0
73.02927	4.2
74.04030	0.4
85.02914	4.1
87.04469	1.1
89.80769	0.4
91.03960	1.7
97.02905	4.1
98.21007	1.1
109.02855	0.5
111.00784	0.6
115.03936	2.7
121.02860	2.3
127.03885	0.9
133.02872	0.5
133.04980	1.9
137.02364	0.7
145.05028	0.7
148.94766	0.4
153.01836	3.0
165.01859	1.4
183.02867	0.5
213.05437	1.5
222.23491	0.4
241.05037	0.5
258.05322	0.9
259.05902	0.6
287.05524	100.0
299.05563	1.1
329.06519	1.3
352.93799	0.4
353.06396	0.9
431.09442	0.7
449.10938	1.1
452.10818	0.4
453.72507	0.4
463.05841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01878	2.1
55.05520	4.8
56.05050	3.8
57.03444	4.3
58.02976	0.8
60.04538	100.0
61.02932	1.9
63.91281	0.8
67.05513	9.8
68.99825	1.0
69.03442	11.2
69.07077	5.4
70.06600	1.8
71.05001	2.3
71.52438	1.0
72.04534	3.5
73.02922	2.0
74.06094	3.2
79.05510	5.7
80.05042	1.6
81.02981	1.2
81.03433	11.3
81.07076	11.8
82.06626	2.0
83.05014	1.1
83.08631	1.2
84.04514	1.2
85.02919	19.9
86.06086	1.7
87.00840	6.1
90.05603	1.5
91.05515	5.2
93.07080	5.8
94.06614	1.2
95.08628	11.5
96.08144	2.0
97.02909	5.2
97.06572	2.0
97.10189	2.1
98.06088	1.4
99.04468	4.6
100.07616	1.0
102.05537	2.0
104.07124	2.0
105.01888	3.0
105.07048	2.9
106.06600	1.0
107.08611	5.5
109.02897	9.2
109.10200	2.8
112.07630	1.0
115.03947	1.1
116.07109	1.6
116.31647	0.8
117.07006	0.9
119.08617	3.4
121.10181	5.6
123.11755	1.8
126.05572	0.8
127.03945	14.1
129.01874	2.0
131.04971	0.9
131.08606	2.0
133.10168	2.5
135.11707	3.4
137.09601	1.2
145.02896	1.7
145.04997	2.8
147.02974	1.1
147.04570	0.9
147.11739	2.0
149.13313	1.9
150.05539	0.9
152.07072	0.8
159.02940	2.3
161.06084	0.9
175.04082	0.9
175.14888	0.9
177.05527	4.8
187.92024	0.9
189.12727	2.2
207.06612	1.4
208.06970	1.0
231.05174	1.2
248.23727	1.0
251.10675	0.9
260.23856	3.2
278.24814	8.6
296.25922	9.6
310.11496	2.2
314.26944	25.7
331.08163	2.3
332.08447	4.4
332.28015	69.3
358.98233	1.0
374.29111	3.0
387.69226	0.9
494.33304	1.4
518.33057	1.0
526.30066	0.9
536.34296	5.7
562.32269	5.5
580.33380	96.2
581.33759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84573	3.0
53.03942	4.8
55.05515	18.4
57.03439	10.2
57.07073	6.1
58.22496	2.7
58.47717	2.5
59.56374	2.6
60.68779	2.5
63.70843	2.4
63.98095	2.6
65.03951	2.9
67.05179	4.8
67.05506	55.5
68.92095	2.8
69.07075	13.7
69.77239	15.8
71.04987	3.0
71.08643	3.5
79.05495	32.2
81.03425	49.2
81.07066	55.9
83.04978	9.2
83.08624	20.1
85.02921	11.8
91.05489	27.4
93.07050	38.2
95.04980	18.5
95.08617	34.6
97.06532	5.2
97.10200	4.6
105.07050	20.9
107.08601	19.0
109.06498	5.3
109.10138	14.0
111.08117	6.1
116.00396	2.7
117.07013	7.4
119.08604	19.1
121.10156	22.5
123.11732	3.9
129.07051	5.9
131.08571	12.7
133.10133	15.2
135.11703	12.4
145.10161	7.6
146.84760	2.9
147.11700	10.9
149.09618	4.5
149.13206	5.7
157.10146	9.9
159.11678	5.3
163.11223	2.9
168.86366	3.2
175.11208	8.9
193.12236	27.3
211.13326	42.3
228.13113	3.8
261.22171	8.5
267.15903	9.1
285.16986	39.0
335.25824	85.9
527.37451	6.9
545.30573	5.9
545.38434	100.0
580.38605	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	579.3895
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03947	4.0
54.24923	2.4
55.01873	5.6
55.05513	33.7
57.03423	10.0
57.07067	5.6
59.04983	6.7
65.03935	6.0
67.05510	100.0
69.03426	3.5
69.07072	27.5
71.04974	7.8
76.00377	3.2
79.05083	4.3
79.05499	61.3
81.03406	12.0
81.06595	4.0
81.07060	78.0
83.04962	10.6
83.08612	12.5
85.06539	3.2
89.06013	2.5
91.05478	41.8
93.07046	60.5
95.04958	10.4
95.08611	56.5
97.06514	8.0
97.10151	9.4
105.04568	3.4
105.07028	30.6
107.04942	7.7
107.08598	36.6
109.06522	5.8
109.10159	37.9
111.08070	4.1
115.05405	2.8
117.07018	11.6
119.08581	25.3
121.06490	5.2
121.10155	36.8
123.08083	5.4
123.11703	6.9
125.09618	8.4
129.06985	5.6
131.08568	21.5
133.06447	3.5
133.10156	19.0
135.08055	6.6
135.11682	22.2
137.09634	5.8
139.11148	5.8
143.08559	7.1
145.10127	23.4
147.08014	3.5
147.11705	15.0
149.09579	7.4
149.13252	8.6
151.11224	3.0
152.59671	2.6
153.12708	4.6
155.08545	4.5
157.10109	9.0
159.11676	9.1
161.13255	7.2
163.11243	14.3
163.14850	4.8
167.08473	2.8
169.10127	4.0
171.11673	6.3
173.09633	4.1
173.11833	4.5
173.13310	8.1
177.12712	3.3
181.12129	3.0
185.13292	4.2
187.14804	3.3
189.12737	3.2
191.10677	3.4
193.12306	5.0
195.11655	3.1
197.13324	2.6
199.14877	3.9
209.11749	6.1
211.13243	3.7
227.12798	7.5
229.14359	6.9
241.14217	2.9
243.21133	3.8
243.23427	2.9
245.13832	3.6
259.20789	3.2
261.22162	16.5
265.14432	6.5
277.21518	7.1
283.15424	14.8
301.16278	6.9
315.23175	3.3
317.24643	3.9
335.25766	20.8
363.25256	3.7
451.31961	4.7
469.33286	6.4
487.33838	4.3
489.30127	2.5
489.35983	26.0
515.37067	4.7
525.35413	5.8
543.36774	19.9
547.38898	3.8
561.37891	39.5
579.39001	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3897
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03936	6.5
55.01863	8.6
55.05510	29.0
57.03422	7.6
57.07070	2.7
59.04996	2.7
59.11585	2.0
63.49144	2.3
65.03925	5.1
67.05509	100.0
68.56486	2.3
69.03434	3.2
69.07068	21.5
69.93056	11.6
71.04990	8.5
79.05501	61.6
81.03407	12.3
81.07062	87.3
83.05000	11.9
83.05402	2.3
83.08624	18.8
85.02898	3.8
85.06540	4.2
87.04478	4.1
89.06013	4.3
91.05484	47.3
93.06483	4.4
93.07050	67.4
94.00298	2.4
95.04972	12.1
95.08615	63.4
97.06521	13.5
97.10138	14.1
98.20867	2.7
105.07034	35.0
107.04933	10.7
107.08598	40.7
109.06493	6.1
109.10159	42.8
111.04454	7.2
111.08080	6.7
115.05457	3.7
116.19881	2.2
117.07014	13.0
118.96452	2.2
119.08595	34.6
121.06544	5.5
121.10153	39.5
123.08068	6.7
123.11701	8.9
125.09641	8.3
129.07008	8.7
131.08588	29.1
133.06439	3.0
133.10149	20.2
135.08028	5.3
135.11694	24.0
137.09625	3.6
137.13306	4.2
139.11180	5.7
143.08531	9.3
145.10126	30.0
147.07973	2.8
147.11700	12.8
149.09602	10.7
149.13234	7.0
153.12697	4.0
155.08591	4.0
157.10092	8.1
159.11673	7.9
161.09650	3.5
161.13249	3.6
163.11191	13.7
163.14847	5.9
169.10158	5.7
171.11723	5.8
173.09587	4.7
173.11800	5.6
173.13271	9.4
175.11142	3.3
175.14975	3.1
181.12260	6.1
183.11629	4.3
185.13252	5.1
187.11305	3.1
187.14906	5.0
189.11198	4.9
189.12708	3.0
191.10687	8.0
193.12253	7.5
197.13280	4.2
201.16354	4.1
209.11754	8.3
211.13257	6.4
227.12747	10.9
229.14348	10.8
235.17000	3.6
243.21155	4.8
245.13823	9.3
247.76190	2.6
261.22275	15.1
265.14386	8.1
267.15878	5.0
277.21411	6.2
283.15356	19.3
301.16437	18.4
301.21649	3.2
315.23080	5.5
317.24637	3.9
333.24292	5.3
335.25858	25.9
351.25351	3.1
363.25394	4.1
433.31094	3.1
451.31964	5.0
469.33557	3.9
487.34204	4.3
489.35764	7.5
525.35651	4.0
543.36841	31.5
561.37903	44.7
572.58923	2.9
579.25623	3.6
579.39087	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	579.1714
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
50.78960	0.1
53.03955	0.1
55.01870	0.2
57.03425	0.6
58.45414	0.1
59.04994	0.2
66.97991	0.1
67.05522	0.3
69.03098	0.1
69.03436	2.2
69.07063	0.2
70.06591	0.1
70.81183	0.1
71.04973	0.2
73.02897	0.2
78.20294	0.1
78.40086	0.1
79.05485	0.4
81.03419	0.2
81.07071	0.6
83.04990	0.2
84.90527	0.1
85.02913	1.4
87.04470	1.2
89.06033	0.4
90.01905	0.4
91.05480	0.4
93.07039	0.4
95.08631	0.3
97.02901	1.5
97.06525	0.3
99.04469	0.1
103.05460	0.2
105.07003	0.3
107.04958	0.3
107.08599	0.2
108.13843	0.1
109.02895	0.1
109.10194	0.2
115.03937	1.3
115.30456	0.1
118.04158	0.7
118.53507	0.1
119.04927	0.2
119.08578	0.2
121.02881	0.1
121.10150	0.2
123.04449	1.5
124.01582	0.3
127.03917	0.2
131.04945	0.3
131.08549	0.1
133.04991	1.0
133.06516	0.3
133.08615	0.2
133.10085	0.2
135.11699	0.2
147.04405	0.4
147.11659	0.2
149.02364	1.9
149.09608	0.2
152.01048	2.1
153.01836	0.8
158.03673	0.3
161.06026	0.1
163.03952	0.2
167.07057	0.4
170.02107	1.6
173.05919	0.2
175.03889	0.3
177.05446	0.3
179.03435	0.5
181.04869	0.2
191.07101	0.1
197.06044	0.2
201.05548	0.2
207.06456	0.7
209.08083	0.1
213.05463	0.5
229.08614	3.1
242.05786	1.9
252.04298	0.4
253.04965	1.8
257.08121	0.2
265.11862	0.2
269.04483	1.6
270.05243	4.0
285.07581	100.0
286.07941	0.8
287.05460	0.3
297.07565	0.3
327.08612	0.6
331.08197	0.4
360.67084	0.1
375.10855	0.1
417.11481	0.3
447.12912	7.7
579.22821	0.2
579.33289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18983	0.5
63.71329	0.4
63.91278	0.5
68.66523	0.5
69.03432	2.1
71.01447	0.8
71.01793	0.9
81.03416	1.2
85.02916	2.7
87.00831	0.9
97.02899	1.9
98.38656	0.5
99.04480	1.1
101.47690	0.5
105.01855	0.8
109.02891	1.5
116.96794	0.6
118.06550	4.4
127.03932	100.0
132.08122	0.9
142.06479	0.6
143.07300	0.6
144.08105	1.8
145.04994	1.7
146.06023	12.1
159.09196	1.0
170.06099	1.1
188.07086	20.2
205.09755	8.1
209.15503	0.6
211.11922	0.5
231.05086	0.6
312.32190	0.5
375.09256	2.7
589.69550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03920	0.7
55.01865	0.4
61.02900	0.4
61.91722	0.2
65.03925	1.0
66.44241	0.2
67.05486	0.4
69.03426	1.7
69.13534	0.2
70.54877	0.2
70.95505	0.2
70.95834	0.3
70.98236	0.2
71.04967	0.3
78.04718	2.0
79.05489	0.6
79.90741	0.2
81.03419	0.8
82.04199	0.5
85.02903	2.7
89.06048	0.2
90.16805	0.2
91.05476	1.3
93.03407	0.5
95.04967	0.6
97.02894	1.0
97.06495	0.4
103.05468	1.4
106.04165	1.2
107.04970	1.2
110.03670	0.5
115.05457	2.7
117.06233	0.4
117.07026	5.7
122.03575	0.2
123.04432	4.9
124.05213	1.8
125.05956	0.3
126.39497	0.2
127.03888	0.5
127.05465	0.7
131.04955	0.3
133.08574	0.3
134.03664	0.5
135.04414	0.2
137.05980	0.4
140.67102	0.2
142.02621	0.5
143.04926	0.3
145.06490	8.1
147.04442	0.3
147.08073	0.4
151.03923	1.0
152.04684	1.5
153.05490	0.7
155.06047	3.5
155.07167	0.3
167.07051	100.0
168.07422	0.5
171.06514	0.4
171.77718	0.2
173.05998	20.9
175.07573	0.7
181.04973	21.7
201.05502	0.7
203.06949	0.2
205.08607	3.9
221.08377	0.3
233.08110	4.6
234.85985	0.2
235.09677	4.4
235.11899	0.4
270.05252	0.4
285.07559	1.8
355.11978	0.3
369.13614	0.3
387.14420	15.1
388.14832	0.3
417.15442	10.7
534.57471	0.3
579.20782	60.3
580.21112	0.8
606.14380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84295	0.3
53.03946	0.4
55.01849	0.4
62.44638	0.3
65.03934	1.2
67.05473	0.5
69.03442	1.6
69.41711	0.9
69.42131	1.3
71.05000	0.4
72.89153	0.3
78.04708	1.9
79.05469	1.2
79.50174	0.3
81.03394	0.8
81.07053	0.6
82.04189	0.5
85.02914	2.3
89.01315	0.3
91.05467	1.3
93.03391	0.6
95.04956	1.0
97.02887	1.0
97.06526	0.6
103.05463	1.2
105.07020	0.4
106.04174	1.5
107.04935	1.5
108.02119	0.3
110.03693	0.4
111.04453	0.3
115.05464	2.7
117.07017	5.6
119.08590	0.4
122.03637	0.3
123.04430	5.7
124.05196	1.6
125.06017	0.4
127.03918	0.4
127.05432	0.8
130.04169	0.3
133.06526	0.4
137.05928	0.3
141.01775	0.3
143.04874	0.3
145.06494	8.2
147.08018	0.7
151.03897	1.1
152.04701	1.6
153.05450	0.8
155.06032	4.2
159.14091	0.3
167.07045	100.0
168.07410	0.4
171.06503	0.5
173.05997	21.8
175.07532	0.7
181.04958	22.6
185.11737	0.3
190.06274	0.4
196.98062	0.3
201.05521	0.8
205.08603	4.2
207.06403	0.4
207.67099	0.3
233.08110	5.5
235.07462	0.5
235.09657	4.2
240.08607	0.3
293.38223	0.3
387.14398	14.1
417.15475	9.9
579.20758	59.7
580.21045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2609
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
57.07068	1.2
69.46468	6.8
79.55228	0.8
82.34297	0.9
112.39957	1.1
141.72438	0.9
183.74805	0.9
207.58797	1.0
364.17007	1.3
377.17865	1.6
379.19476	2.1
390.18600	1.4
392.16159	1.1
393.20703	3.3
404.19977	1.5
405.20914	2.7
406.17725	1.2
407.22644	1.4
417.21286	1.0
419.22702	1.4
420.19373	1.1
420.57062	1.1
421.20258	7.8
431.18607	1.7
432.19345	1.3
433.16464	3.0
433.24622	1.7
434.17322	3.0
435.17172	5.5
435.23001	1.3
436.22745	11.7
447.21643	2.9
448.18671	2.3
449.19266	10.0
460.22510	2.0
462.20795	1.9
463.21460	8.9
464.21783	1.9
467.37485	1.5
475.21008	12.6
476.21490	1.5
477.23029	4.4
491.24472	3.2
492.21506	13.9
501.22476	1.4
503.24374	1.6
507.27454	2.1
519.23883	2.9
523.27319	10.5
535.27014	2.7
547.23419	1.3
551.26581	22.1
551.34906	1.5
579.25995	100.0
580.26135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
64.51363	0.1
69.03390	0.1
69.52295	0.9
81.03423	0.2
81.07051	0.1
87.04448	0.2
89.03930	0.2
90.54478	0.1
91.05440	0.2
93.07057	0.1
97.02904	0.2
102.16344	0.1
115.05452	0.2
134.03632	1.7
137.02348	4.7
141.06996	0.4
145.06505	0.2
149.16460	0.1
167.07047	2.8
169.06468	0.5
173.05960	0.5
177.05522	0.2
181.04941	0.5
181.06477	0.3
183.04379	0.4
185.06013	0.2
186.06754	0.5
191.03394	0.3
196.05203	0.2
197.05980	1.4
213.05496	2.4
214.06248	2.8
225.05478	6.6
228.04179	0.2
229.08603	1.2
231.43642	0.1
241.04976	0.2
242.05824	0.8
253.04967	6.6
257.08020	0.3
269.04395	1.7
270.05249	15.5
271.05994	0.4
284.03241	0.2
285.07581	100.0
286.07968	0.8
299.05603	0.2
316.06067	0.2
331.08124	4.0
387.14459	0.3
389.18381	0.2
417.15482	0.3
447.13022	1.7
579.20935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1348
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03930	0.5
53.35088	0.1
54.04503	0.2
55.05489	0.3
57.03415	0.4
61.02901	0.2
65.03931	0.2
67.05494	0.5
68.99782	0.3
69.03431	1.7
69.07037	0.4
70.06551	0.2
70.86390	0.4
71.04984	0.4
73.02888	0.5
79.05451	0.3
81.03413	1.9
81.07014	0.6
85.02909	2.2
86.79808	0.2
87.00777	0.7
91.05486	0.9
91.67651	0.2
93.07016	0.4
95.04911	0.3
95.08578	0.5
97.02898	1.1
97.06484	0.5
99.04427	0.5
100.11240	0.2
103.03907	0.3
103.05481	1.5
105.01846	0.4
105.07003	0.7
107.04931	0.2
107.08578	0.4
109.02875	1.3
109.10095	0.2
117.03355	0.3
119.04960	1.1
119.08558	0.5
121.02843	0.4
121.10149	0.4
124.05188	0.3
125.09615	0.3
127.03931	2.0
131.04950	2.8
133.06502	0.2
135.04475	0.3
135.08015	0.3
137.02301	0.2
137.05957	0.4
137.09601	0.2
145.02821	0.4
145.04950	0.4
145.10097	0.2
147.04417	1.8
147.11703	0.2
147.95216	0.2
151.03903	0.5
152.54327	0.2
153.01839	1.4
153.05386	0.2
159.02878	0.3
159.11781	0.2
161.02275	0.2
161.05981	0.3
163.03838	0.3
165.01839	0.3
167.07074	0.9
173.13174	0.4
175.03883	0.8
177.05467	1.6
181.08611	0.2
189.05405	0.2
191.07018	0.3
207.06512	2.1
209.08092	0.2
217.05005	1.2
222.17209	0.2
225.05505	0.2
228.04231	0.4
229.04921	0.4
231.04883	0.3
243.06532	0.3
245.04446	3.8
256.03812	0.2
257.04480	0.5
258.05231	0.3
269.04669	0.3
270.05246	0.3
271.06042	1.0
273.03964	5.4
285.04007	0.4
285.07611	0.3
286.05112	0.3
287.05515	7.6
288.06342	1.0
298.04791	0.3
299.05490	0.7
301.03452	16.6
302.04126	0.5
302.12469	0.2
315.05011	5.9
316.05792	37.6
317.06454	0.7
329.06540	0.5
331.08133	100.0
332.08444	0.6
373.09296	0.5
376.10690	0.2
417.12146	0.2
493.13519	2.2
535.14117	0.3
547.19714	0.3
578.42023	0.2
579.13501	3.3
579.22217	0.2
579.34265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02642	1.2
53.03940	3.6
54.87610	1.4
55.01873	1.4
55.05516	12.5
57.03434	7.7
65.03934	1.8
67.05511	38.3
69.03449	1.8
69.07070	10.2
71.04989	3.4
79.05498	30.6
81.03413	3.4
81.07064	41.2
83.04984	4.0
83.08626	9.0
85.06525	2.0
91.05480	14.5
93.07052	44.1
94.07423	1.4
95.04998	6.0
95.08616	45.5
97.02925	2.0
97.10162	3.5
99.04454	1.9
105.07035	10.9
107.04948	3.9
107.08609	27.0
108.09033	1.2
109.06525	1.3
109.10171	11.6
111.04491	2.1
117.07018	5.7
119.08593	12.2
121.06509	4.3
121.10152	14.9
123.08115	1.4
123.11711	2.6
125.06023	1.4
131.08560	3.7
133.10121	4.8
135.07983	1.6
135.11694	32.4
145.10130	21.3
147.11676	1.8
149.13185	1.6
159.11691	3.0
163.11200	33.4
163.14792	1.9
173.13280	2.2
181.12225	5.0
227.12801	46.2
229.46698	1.5
259.01791	1.5
261.22186	5.7
283.15414	34.9
330.87039	1.5
335.25821	100.0
384.12726	1.4
518.23096	2.3
528.37598	2.7
543.36877	51.5
546.38654	3.8
547.68286	1.7
550.25061	2.0
578.24451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1348
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
60.20346	0.1
65.99660	0.2
69.03431	0.2
69.41187	1.2
81.03416	0.2
85.02910	0.4
97.02927	0.3
98.20848	0.3
109.02862	0.3
118.04128	0.2
119.04935	0.5
121.02854	0.2
127.03927	0.2
147.04420	0.3
154.99788	0.9
158.07326	0.3
162.03076	0.5
163.23293	0.1
185.05948	0.4
186.06831	0.3
207.06497	0.2
213.05492	0.9
214.06255	1.3
227.10060	0.2
269.04517	0.3
270.05234	1.5
271.06003	0.2
273.03952	7.7
286.04788	0.3
287.05600	0.3
298.04749	10.8
301.03455	47.1
313.07434	0.2
315.04956	0.2
316.05795	14.3
317.06073	0.2
331.08139	100.0
332.08542	0.8
353.81812	0.2
379.96997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80335	0.2
53.03946	1.1
55.01861	0.6
55.45961	0.2
57.03433	0.5
61.02916	0.5
68.99796	0.4
69.03439	3.8
71.03529	0.5
71.04999	0.3
73.02916	0.4
81.03430	3.9
81.07076	0.3
85.02911	5.1
87.00842	2.6
93.03410	0.4
97.02901	2.1
99.04464	1.3
105.01881	1.1
109.02891	2.8
117.01865	0.3
118.04131	0.2
119.04919	0.4
121.02855	0.2
125.28285	0.2
127.03936	4.1
129.01801	0.3
145.02853	0.3
145.04948	1.2
147.04362	0.2
154.99815	0.4
159.02960	1.5
162.03159	1.6
167.07094	0.3
169.06516	0.3
177.05493	0.7
185.06049	0.3
186.06795	0.3
197.05991	0.8
198.06812	2.9
213.05521	0.9
214.06328	1.1
215.03395	0.3
220.18872	0.2
225.05521	2.7
226.06282	4.8
231.05043	0.5
232.17294	0.2
241.04961	0.3
242.05812	0.3
245.04517	0.2
269.04529	0.3
270.05328	1.2
271.06091	0.5
273.03967	2.5
286.04703	0.5
298.04764	15.6
299.05377	0.3
301.03491	15.1
301.07047	1.1
315.05029	0.8
316.05814	9.9
329.06549	0.7
331.08157	100.0
332.08508	0.7
579.13159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74048	0.7
54.68223	0.7
55.33368	0.7
58.37099	0.8
59.05006	5.0
63.82332	0.7
69.03426	1.8
69.32482	1.3
69.32883	5.2
70.06618	0.7
71.04993	1.0
73.02905	1.3
73.06550	2.3
81.03435	1.1
82.78645	0.8
85.02911	2.1
87.04475	28.8
89.06040	71.4
93.07055	0.7
95.04977	1.1
97.02911	1.1
103.03953	100.0
103.07599	1.9
107.07069	1.4
109.02874	0.9
114.98920	0.7
117.03333	0.7
117.09148	1.8
119.04927	0.9
119.07040	1.3
121.08600	1.2
127.03942	1.0
130.08650	0.8
131.07053	7.8
133.08618	48.0
137.05981	1.2
144.06589	1.0
145.02837	1.1
147.06531	9.2
159.65276	0.9
163.09673	1.8
166.08670	1.0
167.07014	4.1
175.09715	4.7
177.05467	3.8
177.11241	20.3
181.05040	1.0
188.03835	0.9
191.09190	7.3
191.14337	1.0
202.80511	0.9
206.04620	0.9
207.06535	1.6
207.12354	3.4
219.12288	1.7
221.13823	5.4
235.11749	6.6
237.13477	1.0
240.20898	0.8
249.80351	0.8
250.30222	0.7
265.16650	1.2
271.06036	1.0
279.14453	2.7
283.17581	1.2
285.07706	1.4
323.17142	1.2
329.00903	0.8
353.21826	1.1
515.30872	1.0
517.28369	1.1
561.31403	11.4
578.24603	1.4
578.34100	3.0
579.20923	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30095	0.4
53.61242	0.5
59.05007	5.8
63.53102	0.5
69.03453	0.5
71.05005	1.0
71.51802	0.5
73.02905	1.3
73.06573	1.1
81.03419	0.5
83.05006	0.6
85.06528	0.5
87.04476	9.6
89.06040	100.0
91.07584	0.6
93.07040	0.5
100.07657	0.5
103.07588	1.9
107.07078	1.3
117.09190	1.0
119.04926	0.6
130.08636	0.7
131.07048	3.1
133.08617	63.0
144.06631	0.8
147.04382	0.5
147.10219	1.3
151.36002	0.5
161.11760	0.4
167.07040	0.7
168.07372	0.6
175.09668	2.6
177.05453	0.5
177.11247	26.7
191.12836	1.3
201.05611	0.6
219.12262	0.7
221.13878	6.1
223.07906	0.5
231.94734	0.5
237.13162	0.5
239.14937	1.2
265.16440	2.6
265.18924	0.5
283.17599	1.6
301.86301	0.5
309.19061	2.1
327.20120	1.8
334.88254	0.5
353.21512	0.6
371.22842	1.0
415.25244	1.4
416.75983	0.5
459.27905	2.5
503.30716	16.4
561.34875	4.4
578.36877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21030	0.4
53.03946	1.4
54.45884	0.4
55.01867	1.2
55.05507	0.8
57.03445	1.0
57.07076	0.8
58.99586	1.7
59.05001	1.5
62.38115	0.4
62.38587	0.5
65.03925	0.5
65.71375	0.4
67.05506	1.9
69.03434	40.0
69.07073	2.7
69.35406	0.4
69.68604	2.2
70.06593	1.0
71.04985	1.5
73.02918	1.8
76.02242	3.5
79.05502	2.0
81.03429	6.0
81.07063	3.8
83.04991	2.6
83.08618	0.6
85.02911	12.4
85.06546	1.8
86.09757	0.6
87.00838	4.1
87.04474	1.3
89.06032	0.7
91.05488	3.0
93.07043	3.2
95.04973	0.9
95.08611	5.0
97.02903	4.2
97.06535	1.8
98.21510	0.9
99.04460	3.5
100.07628	0.5
103.03976	0.6
105.00113	0.8
105.01868	2.4
105.07056	2.9
107.08601	8.4
109.02881	5.1
109.06501	3.2
109.10181	1.7
111.08073	1.6
112.07727	0.4
117.01860	1.1
117.05507	1.3
119.04941	0.6
119.08595	2.7
121.02900	0.7
121.06498	1.6
121.10154	9.6
122.02734	8.7
123.08101	2.0
123.11717	5.8
125.09639	12.1
127.03934	9.1
129.01857	0.5
131.08575	4.2
133.10152	3.2
135.08060	8.7
135.11687	4.3
137.09590	0.4
145.05016	2.6
145.10101	2.3
147.04401	0.5
147.11678	2.6
149.09618	7.1
149.13283	2.3
150.10437	0.5
151.11223	0.6
153.09111	5.2
158.10921	1.9
159.02940	2.3
161.09650	0.6
161.13135	0.4
163.11230	2.2
163.14830	3.8
165.12798	2.7
167.05258	1.0
167.06955	0.4
167.10707	1.1
173.13274	15.2
175.03856	0.6
177.05505	0.9
189.12715	0.5
191.14319	60.8
207.06596	0.5
209.15381	100.0
210.15829	0.5
213.03906	0.6
223.11604	2.7
231.05005	1.2
240.08810	0.8
241.12602	2.8
249.06050	0.8
261.09717	0.5
264.60901	0.4
266.23782	0.4
330.17368	4.9
334.16956	0.5
389.17862	0.6
421.18604	0.4
435.27866	0.4
438.15829	0.5
454.08136	0.4
578.22876	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	578.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01873	1.7
55.05507	1.2
57.03437	1.2
57.07075	0.9
58.99583	1.1
59.05010	1.0
61.02929	0.6
63.33775	0.3
67.05499	2.2
68.99795	0.5
69.03433	39.4
69.07057	2.2
70.06592	0.6
71.05013	1.8
71.15152	0.7
73.02918	1.3
76.02232	3.2
79.05497	2.0
81.03420	4.7
81.07056	3.2
83.04995	2.1
83.08607	0.8
85.02908	11.6
85.06570	1.1
86.99084	0.5
87.00824	3.9
87.04469	0.5
89.06036	0.6
91.03944	0.4
91.05490	2.2
92.09148	0.3
93.07047	3.0
95.04955	0.7
95.08614	5.3
97.02888	4.4
97.06526	2.4
99.04445	2.4
100.02207	0.7
103.03973	0.5
105.00104	0.8
105.01868	2.7
105.07028	3.3
107.07890	0.5
107.08605	8.7
109.02892	5.2
109.06514	3.4
109.10192	1.8
111.08085	2.2
112.07608	0.4
115.64543	0.4
117.01884	0.8
117.05494	1.2
119.08593	3.4
121.06505	1.2
121.10153	11.0
122.02731	9.9
123.08057	1.9
123.11703	4.7
125.09634	11.8
127.03928	9.0
129.01854	1.0
129.06998	0.3
131.08574	4.3
133.10176	3.4
135.08069	7.5
135.11702	4.3
136.08815	0.4
137.09630	0.7
143.08548	0.8
144.06549	0.5
144.09430	0.4
145.04984	3.0
145.10165	2.1
146.02780	0.4
147.02925	0.4
147.04352	0.4
147.11705	2.7
149.09619	6.4
149.13272	2.6
150.10411	0.5
151.11226	0.9
153.09131	4.2
158.10889	2.4
159.02899	2.5
161.09634	0.5
161.13293	0.3
163.11180	1.7
163.14827	3.9
165.12756	2.2
167.05322	0.8
167.10712	1.1
171.11617	0.5
173.13274	16.4
176.11920	0.5
177.05493	0.6
181.06837	0.3
189.12700	0.5
190.05350	0.4
190.13152	0.4
191.14316	63.1
197.09976	0.4
208.06903	0.4
208.85701	0.4
209.15375	100.0
210.15640	0.4
223.11526	2.7
231.05057	1.1
240.08698	0.5
241.12598	2.9
249.06062	0.5
254.24576	0.3
261.09866	0.5
330.17361	5.4
333.16629	0.5
334.05789	0.4
370.07910	0.5
389.18420	0.5
407.19208	0.8
446.73953	0.4
457.20349	1.0
578.22406	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	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.2
53.03936	9.1
53.47824	2.8
55.01868	6.5
55.05279	3.8
55.05516	55.8
57.03427	8.4
57.07076	5.3
58.68544	3.1
59.04992	3.2
62.86349	2.8
65.02904	2.5
65.03942	3.7
66.25407	2.6
67.05509	99.0
69.07070	23.0
71.04987	7.0
71.08638	3.7
73.38268	2.9
75.33777	2.5
79.05499	52.3
79.18758	3.2
81.03423	6.2
81.06590	5.4
81.07062	100.0
83.04972	10.7
83.08634	26.8
85.06576	5.6
86.23364	3.2
91.05487	46.2
93.07047	67.1
95.04955	11.0
95.08612	68.6
97.02883	5.4
97.06537	5.3
97.10175	32.5
99.00799	7.3
99.08022	3.7
101.86024	2.9
105.07046	45.1
107.04954	10.0
107.08600	47.9
109.02859	10.3
109.06542	5.7
109.10165	44.4
111.04438	4.6
111.08070	9.4
111.34570	3.2
117.07018	18.4
119.08590	37.5
121.06512	8.3
121.10153	24.8
123.08041	5.3
123.11726	16.0
125.09644	28.6
128.06236	6.5
129.07014	10.0
131.08588	28.2
133.10135	50.1
135.08093	7.0
135.11700	24.5
137.09604	3.2
137.13261	7.1
139.07463	3.6
143.08542	17.6
143.10707	3.5
145.06432	5.1
145.10135	25.9
147.08051	4.5
147.11702	18.1
149.13263	12.5
151.11168	10.3
153.09114	3.6
153.12717	5.4
155.08522	8.1
157.10132	14.1
159.11743	14.5
161.09666	17.8
161.13246	15.7
163.11238	8.9
163.14824	4.7
169.10205	7.2
171.08028	5.9
171.11697	12.3
173.13228	17.1
175.14859	6.1
179.10704	7.2
181.10165	4.3
181.12219	4.5
183.11681	8.7
185.13248	6.9
187.14854	8.2
189.09109	10.8
189.11142	14.0
195.11691	4.7
197.13295	4.5
199.14870	9.1
201.16367	6.1
207.09976	3.5
211.14851	5.2
225.11189	18.8
225.16248	3.4
227.12747	22.0
243.12216	5.2
243.21086	9.7
259.20511	9.6
261.22147	27.6
277.21652	7.6
279.23227	9.1
287.23618	6.5
297.22110	4.9
299.14908	40.1
299.19913	4.8
301.16479	5.1
301.25180	3.8
306.35776	2.8
315.23233	16.9
317.24783	3.3
327.23260	3.5
333.24176	5.3
335.25787	33.6
351.25510	3.8
403.29916	5.3
421.30890	12.5
430.90753	3.0
431.29300	6.2
439.32040	10.3
449.30490	12.0
457.33011	5.7
467.31567	24.9
485.32629	28.1
495.35306	4.1
513.36005	23.6
515.37134	9.0
519.36829	7.9
523.34406	6.1
527.37170	9.8
531.36530	20.9
541.35352	76.2
545.37976	10.7
559.36224	82.3
577.23914	4.9
577.37524	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01870	7.1
55.05515	35.5
57.03443	12.8
57.07067	5.7
59.04995	3.5
65.03960	5.4
67.05511	88.5
69.03440	4.2
69.07074	30.4
69.91522	4.8
69.91899	5.7
71.05002	15.1
78.74357	2.0
79.05499	71.3
81.03420	26.0
81.07060	100.0
83.04988	10.2
83.08628	23.9
85.06560	10.7
87.04461	4.3
91.05492	55.2
93.07052	72.3
93.07644	4.2
95.04965	14.4
95.08614	66.0
97.06541	10.6
97.10184	23.9
99.08082	2.7
103.05495	2.6
105.07041	60.4
105.07697	4.5
107.04965	3.9
107.08612	44.9
109.06522	4.9
109.10170	33.5
111.08108	5.9
113.06014	2.7
117.07023	19.6
119.07808	4.5
119.08588	47.6
119.09384	4.4
121.06521	6.5
121.10146	37.9
123.08080	6.7
123.11710	10.7
125.09675	13.2
128.06276	3.6
129.07011	17.9
131.08571	38.3
133.06494	3.4
133.10144	30.3
135.08052	6.0
135.11705	16.8
137.09642	6.2
137.29843	2.1
139.11174	5.5
141.07005	2.9
142.07808	2.6
143.08556	17.1
145.10146	27.2
147.11702	23.8
149.09639	6.6
149.13297	11.0
151.11241	3.3
155.08565	9.3
157.10144	20.1
159.11699	20.5
161.09444	2.2
161.13284	10.1
163.11183	6.6
163.14830	4.5
165.12796	3.5
167.10658	2.8
169.10172	10.1
171.11743	9.7
173.13275	17.3
175.11241	7.0
175.14806	7.0
177.12799	4.1
179.03651	2.1
183.11769	9.1
185.13292	10.6
187.14851	6.9
189.11252	10.2
191.14326	2.6
193.12256	10.6
195.11757	4.6
195.13763	4.2
197.13303	7.2
199.14897	5.6
209.13348	5.4
211.14909	5.4
221.68309	2.4
223.14989	2.9
227.12729	18.1
233.15375	3.6
239.16435	5.5
241.19720	2.6
243.21129	4.5
259.20593	4.2
261.22092	11.9
267.15897	27.6
267.20850	3.0
273.21945	2.8
285.22198	6.4
287.20242	2.9
287.23624	5.2
289.21649	5.4
299.23782	3.5
301.25241	11.7
303.23230	7.7
305.24780	3.1
315.23245	2.9
317.24844	2.9
323.23990	3.9
333.24161	3.2
335.25797	20.1
341.24637	3.0
359.25656	4.4
363.25290	5.4
377.28220	2.6
381.94629	2.6
417.31491	8.1
435.27640	3.1
435.32715	20.0
453.33707	18.2
471.35110	13.7
475.30020	3.0
509.36328	10.1
527.37341	92.0
545.38458	74.6
559.39752	18.6
577.41229	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.8
55.01875	8.7
55.05519	55.4
57.03448	4.6
57.07080	6.6
62.59435	3.8
62.81384	3.1
65.03931	4.7
67.05182	6.5
67.05513	100.0
69.03426	5.3
69.07082	18.9
69.53065	23.2
71.04997	10.1
71.08663	3.8
73.99437	3.4
79.05074	5.4
79.05505	72.0
81.03429	4.3
81.07072	94.2
83.04971	10.2
83.08646	28.9
85.06551	7.0
91.05498	47.8
93.07066	69.2
95.04952	10.7
95.08623	78.9
97.06565	8.5
97.10178	34.7
97.83355	4.3
98.20765	7.8
99.00829	14.9
103.05495	5.1
105.07058	56.0
107.04988	11.9
107.08616	49.7
109.02887	11.7
109.06508	7.0
109.10159	32.8
111.08098	8.0
115.05482	4.4
117.07045	27.0
119.07784	6.2
119.08591	45.2
121.06494	6.2
121.10158	36.8
123.11713	10.8
125.09622	26.7
128.06203	6.2
129.07031	15.6
131.08589	35.0
133.10173	49.8
134.10567	3.3
135.08109	6.6
135.11708	28.3
137.09607	3.8
137.13254	8.6
141.07098	3.9
143.08583	21.9
143.10757	4.5
145.10149	23.3
147.08119	6.0
147.11693	19.3
149.09641	7.2
149.13266	18.6
151.11150	10.4
153.09074	4.6
155.08638	8.0
157.10153	11.0
159.11703	20.9
161.09616	17.0
161.13251	10.2
163.11217	7.4
163.14847	6.9
169.10146	5.5
171.08078	6.2
171.11743	13.1
173.09720	4.8
173.13289	17.1
175.14864	7.9
179.10686	10.6
183.11775	8.9
185.13275	15.1
187.14787	8.4
189.09134	9.2
189.11241	13.1
197.13235	8.8
199.14859	6.3
211.14883	6.3
219.80481	3.5
223.14882	4.8
225.11235	14.7
227.12836	22.8
243.12286	8.2
243.21175	7.2
245.13721	3.9
259.20630	5.4
261.22217	37.5
262.68033	4.0
277.21631	8.7
279.23352	7.3
279.59790	3.7
281.13696	10.8
283.15326	7.4
287.23779	5.6
297.22122	7.4
299.14880	39.7
299.19827	4.3
301.25308	4.8
313.21796	6.3
315.23224	16.8
317.24609	4.5
325.86401	3.9
333.24271	7.2
335.25827	40.4
335.65088	4.4
345.46924	3.8
372.81235	3.8
393.14389	3.9
421.31024	8.3
431.29300	6.8
439.32300	8.6
449.30447	16.8
453.34238	3.8
457.32993	6.5
467.31613	25.1
485.32889	22.1
513.35992	17.8
515.37128	5.5
519.36584	12.6
523.34180	5.8
527.37329	14.4
531.36884	18.9
533.38556	5.0
541.35272	72.2
545.38251	9.8
548.86096	4.6
559.36365	89.3
577.37622	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61069	1.8
53.03950	7.7
55.01876	5.8
55.05309	1.9
55.05526	19.6
57.03462	4.1
57.07083	12.7
59.67171	2.3
61.02927	5.4
64.41240	1.8
65.03942	2.1
67.05517	31.3
68.99784	3.7
69.03441	31.3
69.06728	3.2
69.07082	48.3
69.36439	7.8
69.36872	7.5
71.05003	4.0
71.08646	2.9
72.42448	1.7
73.02910	4.8
79.05499	13.2
81.03435	18.3
81.07072	94.7
83.04992	4.6
83.08635	29.7
85.02922	69.0
85.06573	11.5
87.00845	30.7
91.05482	6.2
93.07058	19.9
95.04984	3.6
95.08624	100.0
97.02905	24.3
97.06520	6.7
97.10196	21.3
99.04485	10.7
99.08107	8.2
105.01888	28.7
105.07017	8.2
107.08617	18.9
109.02895	21.2
109.06535	2.1
109.10178	63.7
111.04449	2.8
111.08101	4.6
111.11739	19.9
115.03956	2.4
115.63972	2.2
117.07033	3.9
119.08573	5.6
121.09376	2.4
121.10154	10.9
123.04453	1.9
123.08053	2.4
123.11736	30.4
125.13277	8.1
127.03948	47.3
127.11187	3.3
128.06107	2.2
129.01859	3.2
131.08556	1.9
133.10172	4.7
135.11711	10.9
137.13257	16.3
139.14775	2.9
143.14337	5.2
145.04982	17.0
145.10182	2.7
147.11740	3.3
149.13304	23.0
151.14856	26.2
157.10178	3.2
157.15898	2.4
159.02927	8.1
159.11710	2.8
161.13251	3.2
163.14862	10.6
165.16431	13.9
177.16476	4.2
179.17937	5.4
183.17442	2.8
191.17966	2.6
192.66386	1.9
193.19537	4.0
205.19676	3.6
213.03868	2.3
219.21089	4.8
231.05084	9.8
240.16728	2.2
249.25844	7.0
263.27292	2.1
267.26828	3.3
275.27411	13.8
281.28357	4.6
285.07681	2.6
293.25412	2.9
293.28476	31.0
311.29572	22.4
315.08340	1.9
317.28677	3.4
329.30524	7.3
335.29730	2.5
371.29700	3.3
383.29633	7.0
401.30563	7.7
413.12250	3.9
414.12692	6.1
415.13043	15.5
415.27353	2.2
419.31512	3.1
487.31015	2.5
505.31476	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	575.6129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05269	2.3
55.05515	33.4
57.07079	74.5
65.03931	2.8
65.79664	1.4
67.05508	60.0
69.07072	63.0
69.86841	1.8
71.04996	4.3
71.08635	58.9
79.05492	13.9
81.07059	100.0
82.07381	3.4
83.08625	51.7
85.10187	34.8
87.04449	4.5
91.05483	10.8
92.05761	1.7
93.07038	14.5
94.07419	1.6
95.08613	95.6
96.08953	2.6
97.10174	43.3
98.20725	3.3
99.11734	5.8
105.07030	8.3
107.08585	9.6
109.10162	54.4
111.11725	32.2
113.13283	3.0
119.08570	5.5
121.10126	4.4
123.11706	28.2
125.13278	13.9
127.14792	1.8
133.10129	4.7
135.11691	4.2
137.13263	9.4
139.14806	5.5
141.16406	2.4
145.10172	3.0
147.11752	2.4
149.13261	2.1
151.14790	9.4
153.16394	2.9
159.11685	3.4
161.13187	3.0
165.16399	8.3
179.17989	3.9
187.14859	1.8
211.49721	1.4
239.23531	3.8
263.23682	2.5
284.26666	2.1
301.19995	2.1
302.20554	2.1
313.27576	2.1
314.27762	1.9
361.38422	2.6
399.24167	1.8
482.39264	20.0
508.39365	1.7
540.43372	11.1
557.60370	11.6
575.50098	53.4
575.60846	9.6
576.49847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78493	0.2
51.13667	0.2
52.76333	0.2
53.03940	0.7
54.62051	0.2
55.01865	1.0
55.05513	13.7
57.03434	0.7
59.04992	0.9
60.52342	0.2
65.03945	0.7
67.05495	0.3
68.29369	0.2
69.03429	1.9
69.17595	0.8
69.18013	1.7
71.04971	0.4
73.02922	5.7
73.06178	0.5
73.06557	6.2
81.03426	1.5
81.07027	0.3
81.82763	0.2
83.04971	0.2
85.02912	3.1
87.00830	1.2
87.04449	0.3
87.95408	0.2
89.06025	1.5
91.05481	1.2
97.02899	1.6
97.06577	0.3
98.21497	0.5
99.04453	1.9
105.01878	0.5
109.02930	1.2
109.10135	0.4
113.06013	0.4
117.05487	2.0
121.02885	2.3
121.04027	0.5
127.03939	1.9
128.07127	0.3
129.07022	1.1
130.34424	0.2
131.07054	2.9
131.08589	1.3
133.06525	0.3
133.08615	1.1
137.49243	0.2
143.04929	0.6
145.04930	0.6
147.04323	0.3
149.02347	100.0
150.02679	0.4
151.07594	0.3
157.06525	0.4
159.02890	0.9
161.05986	3.8
161.08113	0.4
167.03391	0.8
175.07556	13.3
177.11197	0.5
183.02959	0.3
185.05934	0.7
189.11197	0.4
201.32661	0.2
203.07042	16.6
221.08096	9.6
221.13762	0.3
275.12766	8.5
293.13837	61.3
294.14053	0.4
311.14929	0.3
332.82101	0.3
334.14041	0.3
370.09735	0.3
371.22696	0.5
408.52597	0.2
414.12698	0.8
577.96478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.3
55.01878	5.7
55.05513	25.2
57.03428	7.9
57.07078	11.1
57.59931	4.2
59.05007	4.1
61.77971	3.7
67.05524	33.2
67.46915	3.8
69.03439	40.2
69.07079	54.5
70.06585	4.4
71.05004	4.9
71.08659	5.3
71.52376	7.9
73.02905	4.4
79.05499	17.1
81.03438	27.1
81.06591	5.6
81.07071	99.3
81.26543	3.8
82.72189	3.7
83.05013	6.3
83.08638	32.0
85.02438	6.0
85.02919	81.2
85.06531	13.0
87.00851	28.9
90.11462	3.9
91.05482	11.4
93.07055	26.2
95.04977	10.3
95.08622	100.0
97.02912	33.5
97.05978	6.2
97.06519	32.0
97.10178	23.7
99.04455	8.8
99.08103	8.9
100.07642	5.1
105.01884	24.5
105.07029	11.4
107.08591	27.3
109.02909	19.7
109.06542	8.3
109.10182	64.5
111.04468	8.0
111.11726	16.6
119.04948	4.0
119.08608	12.2
121.10163	15.1
123.08073	4.0
123.11705	29.5
124.56262	4.1
127.03949	43.7
131.08582	6.7
133.10124	4.9
135.11722	14.9
137.13298	19.3
143.08530	6.2
145.05006	12.0
145.10149	7.8
146.08112	4.4
147.08029	7.5
147.11792	6.4
149.13258	17.0
151.14873	19.3
159.02940	5.2
163.14818	11.9
165.16420	14.5
167.07065	4.7
173.13225	5.4
179.17952	7.0
205.19568	5.1
207.06534	6.2
211.26996	4.2
216.09531	4.2
219.21217	5.8
231.05054	13.7
275.27316	14.7
281.28418	4.8
285.07367	4.7
293.28439	27.9
301.07254	6.1
311.29526	19.4
327.05112	5.7
329.05579	6.0
329.30652	8.6
412.55740	4.7
413.12347	14.1
414.12601	13.5
415.12976	45.7
480.68970	4.4
528.87317	4.5
577.35504	31.9
599.38007	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	575.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01630	0.2
55.01858	0.6
55.05505	0.5
57.03428	0.5
59.04988	0.2
63.62796	0.2
67.05495	0.9
68.99775	0.2
69.03432	0.4
69.07076	1.7
71.05003	0.2
73.95133	0.2
79.05492	1.8
81.07050	0.7
83.08624	0.3
85.02883	0.6
89.06034	0.3
91.05479	0.4
93.07058	0.3
95.08588	0.6
97.02877	0.3
97.05923	0.4
97.06535	7.6
98.07324	0.2
103.48993	0.2
105.03410	0.5
107.08584	0.2
109.10117	0.3
119.08589	0.3
119.79542	0.2
120.46747	0.2
121.10179	0.2
126.69318	0.2
127.03909	0.3
131.04929	0.4
134.03622	0.5
147.11818	0.2
166.99765	0.4
168.00571	0.8
169.01370	0.5
171.04497	0.3
175.07867	0.2
182.02205	0.2
183.02896	1.2
183.04384	0.3
185.00850	0.7
185.06067	0.2
186.01643	0.3
186.06761	0.3
199.03845	0.3
200.04683	0.3
213.05563	0.3
214.06261	0.2
216.04175	0.4
217.04999	0.2
228.04152	0.7
241.04861	0.4
242.05775	0.3
243.06726	0.3
244.01308	0.2
244.03664	3.7
245.04445	2.1
246.05266	0.3
253.04907	0.3
256.03632	1.9
259.06018	3.4
260.06689	0.4
269.04523	0.6
270.05170	1.6
271.05981	0.4
272.03094	1.1
273.03964	3.5
284.03165	3.6
285.03824	0.2
285.07440	0.3
286.04700	0.7
287.05505	6.0
295.05841	0.3
297.04102	0.5
298.04761	2.7
299.02292	0.2
299.05624	1.0
300.02640	1.5
301.03458	3.2
301.06763	0.4
302.04205	4.1
302.07532	0.3
310.04742	0.2
311.05566	0.6
312.02655	3.6
313.03677	0.4
313.07053	7.1
313.10687	0.3
315.04977	7.0
316.05771	11.6
317.06577	3.6
323.05560	0.3
324.06305	0.8
325.07135	0.4
326.04321	0.4
326.07773	0.3
327.04996	18.3
338.04263	0.4
339.04907	0.6
339.08707	1.2
341.06427	0.5
341.10263	1.4
351.08643	0.4
353.06653	0.8
354.07285	3.7
369.09720	10.6
380.08945	1.0
395.11151	2.6
413.12323	100.0
414.12625	0.8
425.33768	0.2
575.17773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11283	0.8
53.03949	5.1
55.01877	7.2
55.05517	17.1
57.03441	6.0
57.07088	6.6
59.04984	1.9
61.02934	4.2
65.03931	1.5
67.05512	26.4
68.99788	2.7
69.03088	1.7
69.03440	21.8
69.07078	40.7
70.06588	3.1
71.04996	5.5
71.08634	2.7
71.10726	1.4
73.02908	3.1
74.09739	0.9
79.05508	17.8
81.03430	16.8
81.07069	100.0
83.04984	2.5
83.08629	13.5
85.02918	51.5
85.06557	43.2
87.00840	23.7
87.04480	1.2
91.03967	1.6
91.05486	8.2
93.07060	37.0
95.04981	3.2
95.08620	79.1
97.02905	16.5
97.06548	6.2
97.10188	9.4
99.04477	8.1
99.08106	34.9
99.08757	2.1
100.07627	1.8
103.03969	1.0
105.01879	16.6
105.07048	12.9
107.05030	1.1
107.07874	2.0
107.08608	39.0
109.02894	16.2
109.06515	2.7
109.10172	40.3
111.08094	14.2
111.11725	8.3
113.09644	5.3
115.03953	1.3
116.07101	3.0
117.01856	2.8
117.06991	1.9
119.08582	9.4
121.06511	1.6
121.10161	37.9
121.11046	2.2
123.08111	1.7
123.11726	25.5
125.09617	4.6
125.13296	2.2
127.03933	25.5
127.11185	2.9
129.01837	2.2
129.07016	1.3
129.12723	1.0
131.08594	4.8
133.10146	7.5
135.08057	1.4
135.11713	19.0
137.06017	1.3
137.13269	16.8
139.11220	6.7
141.89908	0.9
143.08554	1.7
145.04985	10.1
145.10120	3.1
147.02917	0.9
147.08076	1.4
147.11700	6.5
149.13287	30.6
151.11220	1.4
151.14891	4.6
152.32912	0.8
152.64708	0.8
153.09164	0.9
153.12726	2.5
155.08517	1.3
155.14273	1.6
157.10139	1.9
159.02881	6.4
159.08131	1.0
159.11699	3.8
161.13313	6.1
163.11145	1.4
163.13594	1.3
163.14845	13.5
165.16397	2.9
167.14366	3.6
168.00623	1.1
169.10182	1.6
171.11723	1.8
173.08009	1.0
173.09616	1.2
173.13315	1.5
175.14845	2.9
177.05458	1.8
177.12823	1.1
177.16409	25.8
179.17963	1.3
181.15884	1.6
183.02873	2.5
187.14871	1.1
188.07124	1.5
189.07463	1.4
189.16368	2.4
191.17931	3.4
195.17474	25.4
197.13185	0.9
197.19102	1.2
203.17973	3.1
205.19518	2.7
207.06660	1.4
209.19144	2.1
213.18530	65.9
217.19502	2.9
221.19011	2.3
227.20044	2.3
231.05086	4.9
231.73117	1.0
233.81497	0.9
235.20566	4.0
236.09230	2.0
237.09431	1.8
247.24240	1.1
253.21655	2.4
255.14699	1.2
257.19028	1.5
261.25809	2.3
273.25763	5.2
275.19983	1.4
279.26889	5.8
287.05518	1.8
291.26880	20.6
297.27979	8.4
302.04404	1.2
309.27936	35.1
313.07071	2.2
315.04941	2.9
317.06815	1.1
327.05035	4.2
327.29001	33.8
333.27762	1.1
339.04874	1.3
349.23914	4.3
354.07474	1.9
367.24991	1.0
369.09604	5.5
381.27768	2.1
399.28891	2.7
413.12357	23.8
413.22375	0.9
417.29898	1.3
479.45123	1.0
503.30005	2.0
521.30939	1.6
575.22083	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	575.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.05517	0.4
57.03436	0.5
57.07077	0.3
59.02668	0.2
67.05502	0.7
69.03422	0.7
69.07074	2.1
70.63428	0.3
70.63741	0.3
79.05499	2.1
81.03407	0.3
81.07077	1.0
81.07479	0.2
83.05006	0.3
83.08633	0.3
85.02901	0.9
85.30756	0.2
87.00816	0.2
90.04810	0.2
91.05482	0.4
93.07060	0.5
93.40617	0.2
95.04965	0.2
95.08627	1.0
95.31872	0.2
97.02869	0.3
97.06538	8.0
97.10155	0.3
105.03402	0.3
105.07043	0.3
107.08630	0.4
109.02876	0.2
109.10146	0.5
111.08093	0.3
119.08616	0.2
121.10165	0.2
127.03941	0.5
131.04929	0.4
133.10060	0.2
135.11732	0.2
139.00337	0.3
145.04976	0.3
147.04390	0.2
147.11732	0.3
149.13324	0.3
163.14900	0.2
166.99878	0.2
168.00580	1.4
169.01352	0.6
183.02907	1.2
185.00893	0.5
185.06053	0.3
186.01601	0.5
213.05522	0.3
214.06253	0.2
216.04243	0.5
216.40598	0.2
217.04974	0.4
228.04185	0.6
241.04993	0.4
242.05791	0.5
244.03699	3.6
245.04417	1.5
246.05186	0.3
256.03592	1.7
257.04495	0.2
259.06073	3.6
260.06802	0.6
268.03577	0.2
269.04434	0.7
269.66452	0.2
270.05225	1.7
271.06073	0.6
272.03113	1.5
273.03973	2.4
273.25787	0.2
283.06018	0.2
284.03198	3.6
285.04022	0.2
286.04846	0.3
287.05524	5.4
291.26660	0.3
297.04074	0.7
298.04807	2.3
299.05518	0.9
300.02640	1.3
301.03528	2.5
301.06735	0.5
302.04227	6.5
309.27878	0.3
311.05536	0.9
312.02664	3.4
313.03436	0.5
313.07047	6.8
313.10736	0.4
315.05017	7.0
316.05789	8.4
317.06567	4.9
324.06314	0.7
325.03485	0.5
326.04208	0.3
326.07809	0.5
327.05020	17.6
328.05981	0.2
335.05643	0.2
336.06561	0.2
338.04276	0.2
339.04999	0.9
339.08704	1.3
341.06592	0.4
341.10342	1.0
351.08862	0.3
353.06421	0.9
354.07321	3.9
355.08246	0.2
369.09714	11.8
380.09076	0.4
395.11307	1.3
398.10178	0.3
413.12338	100.0
414.12512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96558	0.3
53.03937	0.4
54.01672	0.3
55.01858	1.2
55.05497	0.9
57.03423	0.7
65.17606	0.3
67.05502	1.8
68.99806	0.8
69.03442	2.0
69.07076	2.2
69.53767	2.4
71.01348	0.5
79.05514	1.9
81.03406	1.0
81.07070	3.3
82.08907	0.3
83.08602	1.1
84.02126	0.5
85.02910	3.5
85.06574	0.7
87.00845	0.8
91.05496	0.6
93.07057	1.8
95.08614	2.9
97.02888	1.1
97.06525	1.1
97.10178	0.6
98.21549	0.5
99.00819	1.5
99.04449	0.6
99.08093	0.6
105.07026	1.2
107.08581	1.4
109.02876	1.1
109.10159	1.8
111.08085	0.4
112.01571	1.3
113.07349	0.3
119.08577	0.6
121.10155	1.2
123.04366	0.3
123.11688	1.4
127.00285	2.0
127.03902	2.5
129.07013	0.6
130.85971	0.3
131.08557	0.4
133.10149	0.3
135.11737	0.7
137.02367	0.6
138.88477	0.3
140.01028	0.9
143.08536	0.5
145.04968	0.8
145.10172	0.4
147.04338	0.4
147.11702	0.4
149.05991	0.5
149.13239	1.4
152.06226	0.4
153.07001	0.8
154.99840	0.4
155.03328	0.6
155.08614	0.8
157.06474	0.3
159.02904	0.5
160.05165	0.4
161.05989	1.1
163.14827	0.5
165.07010	0.8
167.08572	0.9
168.00557	29.3
169.01320	1.8
169.04990	1.0
169.06462	0.7
171.08006	0.6
172.81572	0.3
173.05943	1.3
174.06770	0.5
175.07655	0.5
177.05489	1.3
177.16359	0.5
181.06410	0.7
183.02905	81.9
185.05994	0.4
186.01624	9.9
186.06828	0.4
187.07558	1.4
189.09108	0.6
192.04146	0.4
193.06589	0.4
195.02943	0.4
195.08052	0.8
197.05959	0.4
198.06841	0.4
199.07561	1.4
201.03851	0.6
201.05496	1.2
201.09158	1.0
203.17999	0.4
207.06541	0.8
207.11942	0.3
211.07576	2.5
212.08327	0.8
213.05530	0.8
213.09129	0.9
214.06259	0.4
217.08591	0.4
221.08115	0.4
229.08643	1.2
231.10114	0.6
239.07080	3.2
253.08748	0.5
255.06276	0.3
257.08099	5.0
263.06851	0.5
263.74887	0.4
269.04376	0.4
270.05164	0.4
273.04092	0.6
273.25711	0.6
278.09372	0.4
282.05032	0.4
285.03943	0.7
291.26877	1.4
293.08167	0.3
295.06030	0.8
296.06656	0.4
297.03940	0.8
298.04739	0.8
301.03452	0.9
301.07074	0.8
302.04260	4.3
309.07602	0.7
309.27817	1.9
310.04758	0.5
311.05548	1.5
313.03629	2.4
313.06964	0.6
314.04254	0.8
315.05148	0.7
317.06488	4.9
319.05994	0.8
323.05463	1.3
323.09171	0.6
324.06323	1.0
325.07129	1.2
326.04276	6.5
326.07974	0.6
327.05023	1.0
327.28876	1.3
328.05780	4.6
329.06476	0.7
334.08435	1.6
335.09100	1.3
336.06393	0.7
337.07175	1.2
339.05054	3.6
339.08621	0.8
340.06042	0.5
341.06580	15.2
341.10736	0.7
342.03757	0.7
342.07455	0.7
347.05661	0.4
349.10764	1.5
351.05005	1.2
351.08731	1.0
352.09479	2.2
353.06436	1.0
354.07410	8.0
355.08020	0.4
356.08893	5.4
357.09634	2.0
362.07858	1.6
363.08670	0.8
365.06442	1.5
366.07251	0.4
367.11844	3.9
369.05334	0.6
369.09711	7.0
377.10376	1.7
380.08911	1.2
384.08408	0.9
385.13144	0.7
395.11307	11.7
413.12354	100.0
414.12546	1.1
422.67188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87494	0.4
54.62964	0.3
55.01884	0.7
57.03437	0.3
59.04995	0.6
67.05476	0.3
67.96262	0.3
68.99795	0.7
69.03423	0.8
69.07056	1.0
69.56834	2.0
70.06579	0.3
71.04977	0.5
71.46467	0.3
78.77165	0.3
79.05479	1.2
81.03378	0.5
84.02122	0.4
85.02887	1.5
91.05448	0.4
95.04959	0.5
95.08588	0.3
97.02894	0.6
97.06520	1.4
99.00856	1.6
105.07018	0.4
112.01557	1.3
127.00325	1.9
127.03934	0.6
129.07028	0.5
131.04890	0.5
133.06482	0.4
140.01039	1.0
141.07039	0.5
145.02852	0.6
147.04372	0.7
153.06979	0.5
154.99754	0.5
155.03381	0.5
155.08569	0.7
156.73914	0.4
161.06007	1.4
165.07002	0.7
167.08540	0.7
168.00549	26.4
168.05721	0.4
169.01309	1.3
169.05008	0.8
173.05989	1.5
174.06712	0.4
175.07594	0.7
177.05415	1.5
180.05550	0.4
181.06566	0.8
183.02896	79.0
183.08070	1.0
186.01599	10.0
186.06830	0.6
187.07581	1.4
192.04259	0.4
193.06453	0.5
195.02994	0.5
195.08044	0.6
197.06055	0.6
198.06784	0.3
199.07571	1.2
200.08340	0.4
201.03920	1.0
201.05438	1.0
207.06505	0.9
211.07559	3.1
212.08350	0.8
213.05493	0.6
213.09128	1.0
227.06985	0.4
229.08585	0.9
239.07016	3.7
250.09848	0.5
255.06572	0.5
257.08084	5.2
267.06531	0.5
267.10327	0.4
278.09512	0.4
285.03967	0.9
286.04657	0.5
291.06708	0.6
293.08191	0.8
295.06207	0.7
296.06912	0.5
297.03958	0.9
298.04691	0.7
301.03433	0.6
302.04224	4.1
309.07596	0.8
310.04684	0.5
311.05618	1.8
312.06268	0.4
313.03458	2.0
313.06778	0.6
314.04181	1.1
317.06540	4.2
319.06061	0.9
323.05478	1.3
324.06229	1.0
325.06961	0.7
325.10690	0.5
326.04236	6.0
326.07968	0.5
327.04987	1.1
328.05869	4.5
328.09500	0.6
329.06509	0.8
334.08282	1.8
335.09238	1.3
336.06326	0.6
337.06952	0.9
339.04977	4.1
339.08667	0.6
340.05783	0.5
341.06577	15.5
341.10168	0.8
342.03656	0.5
342.07303	0.9
347.05524	0.9
349.10999	1.6
351.04974	1.0
351.08725	1.3
352.09476	1.2
353.06390	0.9
354.07352	8.1
356.08908	5.5
357.09683	2.1
361.06696	0.4
362.07941	1.1
365.06558	1.4
366.07248	0.5
367.11853	3.8
369.05359	0.7
369.09720	8.4
377.10260	1.2
379.08066	0.4
380.08972	1.4
384.08188	0.6
385.12918	0.7
395.11246	12.0
398.09915	0.4
413.12323	100.0
414.12625	1.1
575.21161	1.7
575.29614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.7
57.03429	5.0
57.07081	34.1
67.05511	41.7
69.04188	1.8
69.07067	9.5
69.15936	14.3
71.04997	16.7
71.08644	22.8
78.97011	1.6
79.05504	11.3
81.07065	74.4
83.04987	1.8
83.08629	10.8
85.06557	2.8
85.10208	13.2
87.04479	16.7
91.05493	14.4
93.07040	12.1
95.08615	25.9
97.06534	1.8
97.10179	7.3
98.21518	3.6
105.07034	7.6
107.08598	8.9
109.10171	13.7
111.08132	1.7
111.11709	2.2
121.10140	3.7
123.11740	14.7
131.08517	2.9
133.10141	10.5
135.11713	3.1
137.13326	2.1
149.13240	2.6
149.74225	1.7
151.11182	5.6
159.11732	4.8
165.32721	1.7
166.05724	1.5
169.12288	2.0
171.91634	1.6
177.12825	2.8
183.13832	1.9
187.13261	3.8
239.23692	2.1
257.17468	1.8
269.17551	4.9
283.26373	6.4
301.20135	21.1
313.27377	31.9
315.55518	1.5
420.72708	1.8
431.02396	1.8
481.38919	100.0
495.40341	4.5
507.40781	4.8
539.43091	59.7
574.40350	2.2
574.49042	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.47851	0.3
57.03434	0.4
59.04992	1.5
67.05496	0.6
68.31029	0.4
68.99772	0.8
69.03423	0.8
69.07061	1.0
70.76051	1.1
71.01349	0.3
73.43085	0.4
76.21844	0.4
78.27515	0.3
79.05489	0.9
81.03448	0.6
81.07021	0.7
83.04997	0.5
84.02113	0.7
85.02921	1.8
89.06047	3.5
95.01389	0.5
97.02882	1.1
97.06561	1.0
99.00830	2.0
104.60603	0.4
109.02848	0.4
112.01588	2.2
123.04411	0.5
127.00273	1.4
127.03934	0.6
127.06456	0.4
129.07042	0.6
130.32108	0.4
133.08583	1.7
137.05998	0.7
140.01022	0.9
141.06985	0.5
143.08643	0.4
144.81401	0.4
145.04988	0.5
147.04391	0.6
153.05484	0.5
153.07028	1.1
155.08571	1.1
160.05121	0.4
161.05965	1.1
162.06969	0.5
165.06978	0.9
167.08530	0.4
168.00562	27.7
169.01295	1.3
173.05959	1.2
175.07536	0.6
177.05455	1.2
177.11137	0.6
181.06572	0.6
183.02908	85.2
186.01614	11.6
186.03291	0.6
186.06859	0.8
187.07564	1.7
189.09134	0.6
192.04025	0.5
195.08078	0.5
198.06885	0.4
199.07542	1.7
199.97603	0.4
201.03947	1.2
201.05476	1.5
201.09198	0.6
211.07588	1.8
213.09174	1.0
214.06187	0.7
227.07002	0.7
229.08606	0.6
239.07082	3.4
249.05518	0.4
257.08109	4.9
267.06628	0.4
273.03723	0.5
278.09729	0.5
281.08084	0.4
285.03796	0.7
295.06064	0.8
297.04010	1.0
298.04794	0.7
301.03491	0.5
301.07181	0.6
302.04224	4.2
306.09064	0.5
308.06812	0.5
309.07355	0.6
309.22739	0.4
310.23062	0.5
311.05560	1.1
311.08856	0.5
313.03546	2.7
314.04211	1.0
317.06589	5.5
319.06006	0.4
320.06705	0.4
321.07556	0.4
323.05545	1.0
323.09036	0.6
324.06360	1.0
325.07053	0.7
326.04233	7.4
327.04926	1.5
328.05835	5.4
329.06693	0.5
333.07663	0.4
334.08502	2.5
335.09216	1.0
336.06192	0.6
337.07141	1.2
339.05066	3.8
339.08804	0.7
340.05661	0.6
341.06549	14.5
342.03717	0.5
342.07385	0.9
347.05676	1.0
349.10721	1.6
351.04959	1.0
351.08707	1.4
352.09564	1.3
353.06464	0.9
354.07343	7.8
355.08206	0.5
356.08926	5.5
357.09637	2.1
362.07825	1.7
363.08780	0.7
365.06580	1.5
367.11829	3.9
369.05319	0.7
369.09732	7.7
377.10318	1.4
380.08887	1.1
384.08176	0.6
385.12805	0.9
395.07245	0.3
395.11267	11.9
413.12347	100.0
414.12732	0.9
484.63794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01877	6.5
55.05268	1.3
55.05515	15.6
56.62716	0.8
57.03436	5.5
57.07072	5.7
59.05016	4.9
61.02913	3.4
65.03955	1.0
67.05180	1.3
67.05515	20.1
68.99780	3.1
69.03437	29.6
69.07073	100.0
70.85692	2.1
71.04998	7.8
71.08633	1.2
73.02906	2.9
79.05500	15.6
81.02934	0.9
81.03426	21.5
81.07063	81.6
83.01358	1.4
83.04991	6.8
83.08636	9.6
85.02914	53.5
85.06544	13.4
85.10201	1.3
86.02341	0.9
87.00838	21.3
87.04473	2.2
89.23013	0.9
91.03938	1.5
91.05492	12.8
93.07051	34.5
95.04983	11.9
95.08614	52.9
97.02895	18.3
97.06531	10.3
97.10183	6.4
99.04475	9.6
99.08102	14.3
101.02378	1.1
105.01871	10.1
105.07043	17.6
107.04950	1.3
107.08607	33.5
108.03165	0.8
109.02888	22.0
109.06513	3.3
109.10167	31.3
111.08092	4.1
111.11732	29.8
113.09644	3.2
115.03951	1.5
117.01868	2.4
117.07029	2.6
119.08595	21.3
119.09457	1.1
121.06458	1.6
121.10154	26.8
123.08076	2.5
123.11717	22.1
125.09653	2.4
125.19135	1.0
127.03925	35.3
127.11161	2.3
129.01846	2.9
129.12764	2.5
131.08557	4.7
133.10141	14.7
135.08028	1.0
135.11700	44.2
137.09622	2.1
137.13269	7.2
139.10109	1.4
139.11186	25.9
143.08545	1.1
145.02930	1.6
145.04967	9.5
145.10150	9.9
147.02945	1.5
147.07948	0.9
147.11711	12.4
149.09627	1.4
149.13277	12.0
151.11183	3.2
151.14827	4.9
153.12761	42.5
155.10658	1.3
157.10150	2.2
157.12210	5.5
159.02928	8.8
159.11702	14.5
161.13287	8.8
163.14839	4.8
165.12747	3.2
167.14359	1.8
169.10153	0.9
171.02870	1.0
171.11746	1.6
173.13264	5.2
175.14902	4.5
177.03975	1.0
177.05525	2.7
177.12807	1.8
177.16364	11.8
178.05763	1.1
185.15410	1.5
185.33278	1.0
187.06053	0.9
187.11090	1.1
187.14821	5.6
189.03961	1.6
189.12708	1.1
189.16397	3.5
193.16060	1.3
195.17439	8.7
196.10085	1.4
201.16371	2.9
203.17970	1.7
207.06540	1.8
207.17502	1.1
209.19106	1.4
213.03903	1.5
213.18497	12.1
215.17947	2.6
217.19618	1.0
225.14038	1.0
227.20105	4.8
229.19475	1.1
231.05045	5.7
231.20943	0.9
239.20110	5.1
253.13359	2.3
259.24231	1.7
263.23502	1.2
271.24188	3.8
277.25336	7.7
286.04630	2.5
289.25266	22.2
291.62201	0.9
295.26328	21.7
301.07138	4.5
307.26328	36.2
311.02731	0.9
321.07440	1.8
325.27396	30.2
349.27203	0.9
363.21213	1.0
393.05856	1.6
397.27112	1.5
519.28937	1.2
537.30591	1.1
573.15955	7.5
573.25739	2.7
573.33356	1.5
574.80951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06239	3.3
55.01864	6.9
55.05518	15.7
57.03431	14.1
57.07084	57.0
59.04993	3.5
67.05507	31.2
69.07072	16.0
69.17667	25.4
69.18082	5.7
71.05009	3.9
71.08637	28.0
72.08170	4.4
74.09724	53.5
79.05502	22.8
81.03418	19.1
81.07063	30.8
83.04987	14.8
83.08630	19.7
85.02907	6.0
85.10172	14.3
87.04472	51.8
89.06001	3.3
91.05478	16.4
93.07042	29.7
95.04990	6.0
95.08614	43.4
97.02908	6.9
97.06513	7.8
97.10162	4.9
98.21568	4.8
105.07073	8.9
107.04961	13.6
107.08583	18.7
109.06521	3.7
109.10176	15.3
111.04417	5.4
111.08084	4.5
117.07043	6.1
119.08595	8.8
121.06503	3.9
121.10136	11.3
123.08053	5.3
123.11697	4.8
131.08574	7.5
133.10146	4.6
135.11656	21.1
145.10106	17.6
147.08060	4.3
149.10814	3.1
153.12738	13.9
155.08626	3.5
163.11221	34.1
163.93504	3.3
173.09633	8.6
181.12245	10.4
191.10713	12.5
209.11742	31.2
227.12823	17.5
265.14343	7.3
283.15414	22.5
301.16513	76.1
313.27386	100.0
459.24039	3.6
503.37231	7.0
521.38525	47.1
539.39447	59.5
546.25568	5.8
574.25525	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	572.401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67344	1.6
53.03950	2.9
55.05513	18.1
57.03435	8.4
57.07072	6.5
59.05012	8.9
67.05509	20.5
69.03431	1.9
69.07074	85.4
70.09698	1.6
70.63473	3.0
71.05006	10.7
73.02901	2.0
73.06535	4.9
75.41595	1.6
79.05497	19.4
81.03405	2.4
81.07059	26.9
83.04977	5.8
83.08618	19.4
85.02898	2.1
85.06540	6.1
87.04492	10.7
89.06039	79.2
91.05482	4.6
93.06484	2.6
93.07050	36.1
95.08061	2.3
95.08614	26.1
97.06537	36.3
97.10155	2.6
99.04468	5.1
99.85062	1.6
103.07558	2.4
105.07038	2.8
107.07049	2.8
107.08607	41.1
109.02842	1.8
109.10155	15.9
111.08075	11.9
111.11731	8.5
115.07572	3.3
122.49220	1.9
125.13273	1.7
131.07036	3.9
133.08611	68.4
133.10115	3.3
135.11703	85.4
139.11192	3.1
146.64186	1.6
153.12756	99.9
157.12241	1.8
168.58716	2.2
171.13812	75.4
175.09654	4.6
177.11237	25.4
197.15392	100.0
213.14827	2.3
215.16408	19.7
221.13750	6.9
229.18013	5.4
255.19557	8.2
259.19113	4.1
273.20581	6.3
283.17596	4.4
303.21735	4.1
309.19092	4.5
327.20163	32.1
329.23126	2.4
347.24326	2.6
367.23221	5.7
435.29501	3.1
465.10828	1.7
479.32068	7.1
537.36212	6.6
555.37036	6.3
572.39856	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	572.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.05512	16.9
57.03435	2.2
57.07062	3.5
59.04998	9.1
63.34510	1.1
67.05515	15.0
68.22034	1.2
69.03418	2.8
69.07073	55.5
71.02969	1.5
71.03288	2.0
71.04986	2.9
73.06567	2.8
75.26720	1.2
79.05502	16.2
81.03413	1.6
81.07062	36.7
83.04977	10.6
83.08624	4.5
85.02881	1.5
85.06548	3.5
87.04459	5.3
89.05205	1.5
89.06038	36.0
91.05479	3.0
93.07053	35.9
94.01443	1.1
95.08614	25.7
96.54794	1.2
97.06541	18.5
97.10181	22.6
99.04492	1.9
101.06063	2.7
101.09619	1.6
107.08601	2.8
109.10165	2.7
111.11735	11.4
117.09113	2.4
121.02927	1.5
121.10152	40.6
130.08670	1.1
131.07091	1.6
133.08629	27.0
135.11707	5.6
139.11189	100.0
153.11621	1.1
153.12759	5.1
157.12253	82.1
157.45609	1.2
171.13931	2.1
175.09685	1.6
177.11253	12.7
180.10181	1.0
183.13815	21.9
186.49408	1.3
195.12254	1.4
197.15367	5.6
201.14867	6.8
205.20396	1.2
210.33548	1.3
215.16434	30.0
221.13913	1.6
241.17924	2.9
246.84447	1.2
273.20596	5.6
283.17520	15.3
323.20721	1.8
341.21750	5.3
381.24615	1.5
421.27872	2.4
479.32214	2.6
537.36682	1.6
572.40070	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
57.07084	46.0
59.05011	16.6
61.87600	0.9
65.96839	0.8
67.05511	2.2
67.91211	0.8
69.07079	2.9
71.08641	92.7
73.06566	3.1
79.05499	2.5
81.07051	2.1
83.08620	1.5
85.10195	47.8
87.04478	9.9
89.06042	100.0
91.05521	1.2
93.07091	1.6
95.08601	1.5
103.07591	5.8
105.07025	3.0
107.07095	1.4
109.10175	1.5
117.09139	1.9
127.14838	6.3
130.08650	2.8
131.07056	5.2
133.08621	73.0
141.16403	1.0
161.11728	1.6
167.17992	1.2
171.11705	0.9
175.09703	3.7
175.13306	1.0
177.09656	1.7
177.11250	34.7
185.19046	8.6
194.62436	0.8
219.12262	1.2
221.13866	8.2
229.21664	6.6
229.61089	1.2
239.14894	1.3
250.59421	0.9
265.16541	2.6
283.17578	4.2
291.19766	1.2
292.19833	1.7
309.19504	1.1
327.20142	3.6
353.21771	2.0
353.45682	1.0
371.22818	23.2
411.25952	3.8
415.25409	3.2
555.41071	8.3
570.28772	1.1
572.35889	5.3
572.44421	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	571.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.0
55.05515	56.5
57.07067	8.7
63.60481	4.5
64.12511	3.7
67.05189	5.7
67.05511	72.5
69.03440	7.6
69.07072	43.3
69.73673	9.4
69.74088	18.5
71.04976	5.9
71.08665	4.7
79.05494	42.6
81.07063	72.4
83.04967	7.4
83.08624	34.9
85.06557	6.3
91.05498	51.0
93.07053	57.1
95.04968	5.0
95.08611	73.5
97.06519	16.3
97.10182	35.2
98.21468	7.7
105.07050	56.5
107.08594	41.1
109.06544	4.8
109.10178	41.3
115.05428	5.3
117.07025	39.3
119.08587	47.5
121.10148	31.0
123.08119	4.6
123.11724	12.1
125.09648	24.1
128.06178	4.8
129.06981	25.5
131.08577	55.3
133.06494	4.2
133.10130	32.3
135.07996	5.4
135.11685	21.5
141.06970	5.8
143.08574	30.8
145.10146	54.9
147.11702	22.4
149.13255	8.6
153.06941	4.6
155.08572	9.7
157.10143	24.8
159.11736	48.6
161.13249	13.4
169.10095	10.6
171.11699	25.1
173.11906	6.2
173.13258	36.7
175.14780	6.6
177.12515	4.3
181.10121	6.2
183.11699	10.0
185.13255	18.0
187.14850	21.6
189.11180	15.1
189.16295	6.1
195.11765	9.1
197.13252	9.9
199.14877	5.4
201.16402	9.2
209.13301	6.5
213.16449	5.9
215.17996	9.1
223.14969	6.0
225.16347	7.6
227.17993	8.3
229.19485	5.2
239.17935	4.8
275.20084	8.6
277.21677	6.4
289.21497	7.7
297.22147	5.2
315.23129	9.4
317.24850	6.3
357.27875	5.3
367.29874	14.8
369.28137	5.8
383.33398	6.6
385.31039	95.4
397.74274	4.3
399.32611	7.6
450.99991	5.0
457.36819	4.5
459.34930	9.5
473.36404	7.1
513.38892	6.6
517.40424	11.8
535.41547	30.5
553.34192	6.7
553.42578	100.0
571.35773	5.5
571.43652	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.7
71.49945	1.2
74.61045	0.8
82.99886	2.2
85.02910	1.1
88.26888	0.8
94.99857	1.0
95.21806	0.8
97.02895	1.7
100.07601	1.5
101.00877	15.0
109.02877	1.1
113.00876	2.9
115.02433	1.5
119.01930	18.7
119.04939	0.9
121.01647	0.8
127.02416	3.8
127.03883	1.1
129.00345	0.9
129.04065	0.9
131.01923	9.9
133.03481	3.5
137.02936	1.0
139.02405	2.0
143.01910	30.0
145.01707	1.1
145.03468	13.6
147.01488	1.9
147.04401	2.4
155.01904	20.3
157.03452	7.8
161.02972	25.2
162.03204	1.2
163.02702	1.8
167.01906	13.1
167.03307	0.9
168.99817	5.1
169.03470	4.7
171.01408	2.2
171.05057	2.7
173.02974	23.3
175.02946	1.0
175.04532	2.7
179.01884	6.0
180.99838	1.2
181.03426	1.4
184.08086	1.0
185.02968	42.7
187.00928	5.0
187.02872	1.1
187.04591	4.6
189.02441	2.0
191.04037	3.2
196.99443	2.0
197.02962	16.4
199.00925	2.7
199.04559	1.8
200.07642	0.9
201.02504	3.0
201.05957	1.1
201.07843	1.9
203.04024	12.9
204.04189	1.1
205.01976	1.2
208.04654	0.8
209.03008	2.3
213.02451	1.8
215.00485	7.0
215.04019	9.1
217.01973	2.1
219.03543	2.0
221.05090	3.4
227.03990	10.1
229.02008	3.4
231.03563	4.4
233.05061	1.7
235.06662	2.7
239.04015	1.5
241.01923	1.4
245.05093	100.0
246.05260	2.1
247.02979	6.5
247.05077	2.2
247.08435	2.1
253.01945	1.3
257.05121	5.2
259.03040	3.0
261.04837	1.2
263.06198	9.7
265.05896	1.5
271.02945	3.1
275.02621	3.1
275.06131	11.7
289.04050	9.6
293.07205	2.5
299.02493	2.6
301.03989	3.1
303.05505	1.6
305.07147	9.9
305.12735	1.0
307.04962	6.6
317.03769	1.3
319.05093	4.4
327.63486	0.9
331.05042	8.1
333.06268	1.0
335.08328	4.4
337.06024	1.1
337.09906	2.0
343.05099	1.4
349.06232	14.0
349.10019	2.5
359.04614	2.9
361.06158	1.0
365.09314	17.5
377.05664	3.6
391.07233	5.0
409.08157	3.6
409.13336	1.5
411.09622	1.0
426.11465	0.9
469.10394	2.4
471.10599	1.3
482.92264	0.9
483.11392	2.3
511.11508	12.4
539.10663	3.5
541.12671	0.8
571.13025	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	571.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.3
57.03427	4.7
57.07082	100.0
58.04214	5.0
59.05007	67.3
67.05499	5.7
69.07056	8.5
71.08642	98.5
71.52831	5.1
72.08170	4.6
79.05479	4.5
81.07041	14.0
83.08619	10.2
85.10195	90.3
87.04446	11.8
87.08092	3.3
88.05260	3.8
89.05554	3.3
89.06036	20.6
90.01921	29.7
91.05470	5.5
92.36376	3.3
93.07050	8.3
95.08614	10.9
97.10149	4.1
99.11754	18.8
101.03062	3.2
101.09660	6.0
103.07547	7.2
105.07046	5.1
107.08591	7.5
116.08365	3.2
117.09137	18.4
119.08566	16.2
121.10181	3.6
123.08069	3.5
124.76849	3.8
126.05193	3.7
130.08681	3.2
131.08582	4.5
133.08585	9.8
133.10156	6.0
135.11700	6.4
138.13994	4.7
141.16422	6.2
145.10114	5.6
147.11705	4.6
159.11688	7.2
165.09187	9.0
177.11172	3.6
178.07182	5.8
189.16536	3.7
199.20546	18.8
221.15413	13.7
222.09735	8.6
247.65776	4.1
257.24808	21.4
265.82806	4.2
276.91028	5.0
331.92935	5.4
371.22736	4.5
420.36749	4.4
565.91138	10.8
571.40540	9.0
571.48480	6.1
589.48999	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	571.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44488	1.6
55.05503	3.9
56.54283	1.3
57.03423	3.1
57.07077	100.0
58.04204	5.5
59.05002	35.8
67.05502	3.7
69.07058	5.7
69.42004	10.4
71.05009	2.2
71.08632	82.4
72.05762	6.7
72.08154	7.2
73.02905	2.8
73.06550	4.5
74.09716	1.9
79.05487	3.8
81.07074	4.3
83.08612	4.9
85.10185	58.7
86.07339	2.1
87.04486	8.1
87.08106	3.2
88.05264	1.8
89.06030	17.0
90.01910	22.5
91.05481	2.7
93.07041	3.8
94.22503	1.7
95.08595	6.8
97.10163	4.2
99.11742	12.5
100.08880	2.1
100.79674	1.7
101.09653	3.4
103.07576	6.2
105.07040	3.6
107.08604	3.0
109.10146	4.6
113.13287	4.6
116.08340	1.7
117.09138	9.5
119.08640	3.6
131.88000	1.9
133.08583	7.0
133.10115	1.9
143.08594	1.5
145.10016	1.6
152.15585	2.5
155.17943	9.1
157.10033	1.4
171.11697	2.1
178.07112	5.6
183.17418	5.0
186.03561	1.6
191.45049	1.8
213.22139	13.4
221.15433	3.1
222.09679	3.5
237.17012	3.5
237.24963	1.7
266.12427	3.5
266.88428	1.7
267.18021	3.1
271.26205	7.1
284.13364	4.2
331.93039	2.1
342.17657	3.3
354.70462	1.7
420.36819	6.7
565.91370	2.5
571.41559	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	570.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.9
57.03446	1.8
57.07080	100.0
59.05006	26.2
67.05507	1.2
69.07079	2.5
70.91147	1.6
71.08636	69.3
73.06567	1.1
81.07081	1.3
83.08627	2.1
85.10188	64.7
87.04483	5.7
89.06038	73.3
89.48680	0.8
91.05539	1.0
95.08620	1.2
97.10196	3.6
99.11740	13.1
101.09680	1.9
103.07607	1.8
107.07093	1.1
111.11787	1.4
113.13304	4.3
117.09138	5.4
121.10214	0.8
130.08698	2.0
131.07097	2.1
133.08612	49.4
147.10202	2.1
152.42302	0.7
155.17960	12.8
161.79411	0.7
162.04834	0.6
162.19307	0.7
175.09700	1.8
177.11240	26.7
195.12349	1.3
195.69775	0.7
208.12616	0.7
213.22141	20.2
219.12361	1.2
221.13907	3.7
225.23026	0.7
239.15005	2.9
251.28934	0.7
254.24873	1.0
265.16589	2.0
271.26337	8.2
283.17551	18.8
323.20752	4.5
327.20352	1.7
341.21649	6.3
371.22842	15.9
371.27209	1.2
381.24997	1.7
553.43610	3.6
565.90637	0.8
570.46002	4.9
590.58716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84981	0.3
57.07079	100.0
59.99118	7.4
67.05511	0.6
69.03438	1.0
69.07088	0.6
71.52319	0.4
81.03413	0.9
81.07067	0.7
83.08601	0.5
85.02906	1.6
85.07678	1.4
86.06073	11.6
87.00851	0.4
93.07035	0.6
94.04202	1.0
95.04988	0.7
97.02879	0.6
102.03780	1.6
107.08601	0.5
109.02897	0.8
116.05326	42.0
122.06038	39.4
127.03940	1.7
130.81689	0.4
141.13884	1.3
142.12291	0.6
145.04294	6.3
145.05147	0.5
149.02350	0.7
159.02872	0.4
163.03893	0.6
164.06992	0.6
201.10580	79.8
202.11012	0.4
231.04930	0.4
233.62791	0.5
241.53116	0.4
261.36499	0.4
343.49194	0.5
347.21207	0.4
370.11380	13.5
416.46976	0.4
429.27139	0.4
553.12994	0.7
570.21277	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05506	1.1
57.07076	6.7
58.06594	2.0
61.28848	0.5
62.02212	0.4
67.05498	1.1
67.32324	0.4
70.06596	15.3
71.08636	2.1
71.52449	0.7
72.08149	0.7
74.06064	0.7
74.58662	0.4
79.05486	0.8
79.16338	0.4
81.07038	0.5
83.04986	0.8
83.08646	0.6
85.10179	0.8
88.07633	18.4
88.44661	0.4
91.05463	0.7
93.07062	1.0
95.04957	0.6
95.08622	1.1
97.56067	0.4
102.09189	14.2
105.03401	14.1
105.07003	0.8
107.08603	0.5
109.10191	0.6
123.35029	0.5
131.04990	0.6
149.02368	11.4
149.05988	60.7
175.03949	0.6
181.06549	1.5
190.77832	0.5
193.04965	9.9
212.23689	0.8
219.06558	1.0
256.26355	45.6
257.26746	0.5
297.07599	13.1
341.05823	0.8
341.07083	0.7
341.10211	49.4
570.34271	100.0
571.34631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.25044	0.3
55.01862	0.4
55.05516	1.0
57.03436	0.4
57.07084	0.5
67.05503	1.2
69.03434	1.1
69.07067	1.3
69.46391	1.0
69.46822	1.5
71.05003	0.4
78.04691	0.4
79.05489	1.4
81.03436	1.9
81.07053	3.6
83.08609	0.5
85.02901	1.1
85.06535	1.0
89.03919	4.4
91.05501	1.5
93.07054	2.6
95.04969	0.6
95.08611	4.6
97.02896	0.8
97.06532	0.9
99.08088	0.8
105.03410	2.4
105.07028	1.1
106.04126	0.5
107.04989	0.6
107.08586	3.7
109.02888	1.3
109.10170	2.5
111.08083	0.7
117.03387	18.4
121.02865	0.5
121.10155	5.2
123.11736	0.9
124.03924	0.4
127.03903	1.4
131.08549	0.4
133.10127	0.9
134.03627	1.1
135.04442	1.2
135.11711	1.2
137.06017	1.2
137.13252	0.4
139.11145	0.3
145.02853	50.0
145.10078	1.1
147.04376	0.8
147.11661	0.5
149.05997	6.6
151.07518	0.4
153.05441	0.6
161.05956	0.5
163.03900	0.8
165.16400	0.3
167.07019	1.0
177.05479	100.0
177.16406	10.6
177.17587	0.2
178.05858	0.7
186.05521	1.3
187.11180	0.4
195.06548	4.9
195.17442	5.0
213.11092	0.3
213.18466	1.6
217.89262	0.4
223.16463	0.3
231.19551	2.2
233.11542	0.4
260.01398	0.7
286.04706	0.8
287.05179	1.0
301.07120	2.2
302.07394	1.5
303.05194	1.9
321.09738	1.3
331.02667	0.5
339.10812	6.0
482.41556	0.4
569.29449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.0
55.05522	12.3
55.05734	2.2
55.88465	2.4
57.03411	2.6
57.07067	4.1
67.05508	20.8
69.07080	18.5
71.01375	27.0
71.16589	3.8
75.04472	9.1
79.05498	13.3
81.07070	49.3
83.08624	15.4
83.75236	2.4
85.02910	36.2
91.04961	2.7
91.05488	15.0
93.07055	37.5
95.08618	100.0
97.06509	2.5
97.10155	8.1
99.63906	2.4
101.02395	66.5
105.06402	3.2
105.07046	37.1
107.08608	67.5
109.10165	77.3
111.11717	6.5
114.07719	2.3
117.07051	3.5
119.07809	4.1
119.08599	55.0
121.09340	5.0
121.10159	59.6
123.11710	34.9
127.03917	13.8
131.08607	5.8
133.10155	47.4
135.10712	3.1
135.11705	49.6
137.13263	4.8
139.10957	2.6
145.04977	86.2
145.10147	12.8
147.11707	38.7
149.13275	29.3
151.11208	3.6
151.14879	3.0
157.10153	4.9
159.11676	14.8
161.13284	43.1
163.14828	25.3
165.12741	2.8
173.13242	8.0
175.14853	34.1
177.16405	31.7
179.14331	5.7
179.17946	6.4
185.13165	3.1
187.14825	12.4
189.14792	3.9
189.16400	45.5
191.17989	25.9
193.15926	3.0
196.21413	2.3
201.16393	13.8
203.17978	37.8
205.19583	21.6
207.17473	54.9
213.16454	3.6
215.17961	13.4
217.19534	55.9
219.21114	3.4
221.19038	4.4
229.19492	11.7
231.21066	11.7
233.19023	5.4
243.21088	7.8
245.22638	12.7
255.21141	3.4
257.22638	9.9
262.39554	2.7
271.24258	16.1
285.07330	3.3
285.25696	4.2
297.25668	8.4
311.27292	3.1
315.26752	3.0
346.08246	2.6
365.32037	3.5
404.06104	2.4
407.36777	45.4
425.37836	63.4
569.15808	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43564	0.9
53.03943	3.2
55.01869	1.4
55.05515	10.3
57.07077	6.3
59.05000	2.5
65.03942	3.9
66.04735	1.0
67.05505	16.2
69.03437	1.8
69.07074	14.3
71.04999	1.4
71.08636	2.0
77.03928	1.5
79.05495	22.2
80.06273	4.0
81.07061	34.4
83.04996	1.8
83.08630	4.9
85.06559	3.5
85.10187	1.9
85.15010	1.0
91.04901	2.4
91.05481	44.7
92.06273	3.5
93.07047	51.9
94.07824	2.7
95.04977	43.7
95.08609	27.7
97.06522	2.8
103.05490	4.3
105.04555	2.0
105.07035	84.1
106.07816	4.1
107.08598	47.6
107.09306	2.5
108.09397	2.8
109.06520	4.4
109.10154	17.0
111.08079	2.1
115.05457	5.4
117.07021	27.7
118.07832	3.0
119.08584	100.0
120.09404	7.6
121.06509	1.6
121.10143	30.7
122.10931	1.2
123.08071	16.6
123.11720	6.2
125.09643	3.6
128.06230	11.2
129.07007	18.1
130.07819	9.9
131.08574	52.0
132.09370	11.3
133.10135	58.2
134.10915	5.1
135.08087	5.2
135.11702	21.1
137.09587	7.0
137.13266	1.5
138.10422	8.3
139.11234	2.6
139.60374	1.3
141.06972	6.5
142.07788	17.1
143.08571	43.2
144.09335	13.7
145.10126	89.7
146.10892	3.9
147.08038	3.0
147.11700	23.6
148.12500	2.0
149.09621	4.9
149.13287	3.7
151.11261	3.0
153.07007	2.9
154.07733	2.7
155.08545	18.9
156.09335	15.4
157.10132	49.3
158.10898	10.7
159.08115	1.6
159.11694	40.3
160.12489	4.2
161.09642	7.5
161.13251	8.2
163.11172	3.0
163.14879	1.4
164.75873	1.2
165.07019	4.1
166.07782	2.3
167.08554	10.1
168.08066	1.2
168.09363	5.8
169.10155	22.9
170.10965	7.5
171.11694	36.9
172.12404	5.7
173.09628	1.7
173.13261	28.5
173.14679	1.6
175.11243	2.8
175.14816	22.6
177.12740	7.4
179.08542	7.8
180.09366	4.4
181.10103	12.6
181.11400	1.2
182.10938	7.0
183.11705	25.5
184.12457	6.3
185.13260	27.7
185.14883	1.9
186.14059	6.4
187.11157	1.4
187.14801	14.2
189.12794	4.0
191.14349	9.2
192.09389	2.5
192.15169	3.8
193.10104	8.7
193.15921	1.8
194.10918	7.1
195.11690	21.0
196.12491	10.2
197.13248	27.2
197.14999	1.4
198.14090	4.8
199.11140	2.0
199.14830	11.3
200.15523	2.0
201.12814	3.8
201.16376	7.0
203.14386	3.4
205.10158	2.2
205.15865	2.4
206.10918	4.5
207.11656	10.5
208.12454	5.5
209.13263	27.6
210.14101	3.3
211.14815	17.2
211.16743	1.4
212.15544	2.5
213.16451	4.3
215.14383	2.1
217.15869	5.7
219.11787	3.9
219.17484	2.5
220.12474	2.5
221.13245	9.0
222.14027	2.3
222.29868	1.1
223.14845	12.5
224.15565	3.6
225.16304	10.4
226.17183	3.0
227.14359	2.4
227.18073	2.2
229.15898	2.6
231.11824	1.5
231.17500	2.2
233.13307	4.2
235.14851	7.6
236.15677	2.1
237.16423	8.5
239.18033	5.3
241.19577	1.8
243.17464	1.8
245.13274	2.3
247.14845	3.2
249.16441	4.7
251.18054	3.7
252.18578	1.9
253.15999	1.6
253.19438	2.0
255.17572	1.5
257.13110	1.4
257.19080	2.6
259.14932	2.4
259.20627	2.9
260.15564	1.1
261.16440	3.6
263.17877	5.7
265.19519	5.1
267.17691	1.1
267.21140	2.6
269.18988	1.7
270.19833	2.2
272.21414	1.3
273.16528	1.5
275.17926	1.9
277.19577	4.0
281.18976	1.7
283.20605	3.3
283.26450	1.5
284.29614	1.3
285.22110	2.7
289.19345	1.5
297.22128	3.5
305.22665	2.6
309.22025	2.4
311.29572	1.5
323.23672	7.7
324.24655	1.8
335.23914	2.0
336.24515	1.7
337.25247	3.1
338.26068	50.8
347.23776	1.4
351.26764	3.2
375.26947	2.2
400.35992	1.2
415.30078	2.2
420.30127	1.4
430.32333	19.3
458.35159	3.3
476.36557	26.5
489.37268	1.9
550.41827	1.8
568.42816	45.1
568.55792	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	568.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49077	3.3
51.48669	2.6
55.05513	4.1
57.03432	2.6
57.07084	100.0
59.05011	55.6
60.51704	2.7
67.05534	3.8
69.07081	3.4
71.08641	71.5
83.02894	2.9
83.08614	4.6
85.10193	55.2
87.04491	4.4
88.07618	3.6
89.06039	18.0
95.12550	2.7
97.10168	3.9
98.21456	7.4
99.11719	8.7
101.09659	6.5
102.09183	4.7
111.11657	3.0
113.13291	3.7
117.09161	23.2
147.10201	6.5
155.17928	13.8
213.22263	19.7
271.26349	31.4
281.19464	3.2
284.29492	53.2
285.29861	57.6
562.77429	3.2
568.56421	13.0
584.80994	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	569.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28367	0.2
53.03952	0.5
55.01897	0.2
55.05516	0.5
57.03958	0.2
61.48608	0.2
63.02381	0.3
67.05515	0.3
69.03432	0.8
69.07078	0.6
69.46029	0.9
69.46452	0.6
71.04986	0.2
77.46842	0.2
78.04710	0.2
79.05485	0.5
81.03435	1.8
81.07053	1.3
83.08634	0.3
83.56533	0.2
85.02902	1.3
85.06557	0.4
89.03924	3.7
91.05484	0.6
93.07049	1.2
95.08627	2.1
97.02920	0.2
97.10192	0.4
99.04477	0.2
99.08115	0.3
105.07050	0.4
107.08596	1.6
109.02888	0.8
109.10178	0.9
111.08105	0.2
117.03394	13.2
121.10143	1.9
123.11725	0.4
127.03883	0.5
134.03632	0.7
135.04416	0.7
135.11725	0.4
137.13280	0.2
145.02861	41.4
146.03201	0.3
149.06000	5.2
163.03957	0.5
177.05486	100.0
177.16405	5.2
178.05858	0.4
186.05504	1.0
195.06535	3.4
195.17448	2.1
198.65886	0.2
213.18520	0.8
231.19579	1.0
321.09735	2.2
339.10764	7.3
369.55487	0.2
414.26074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01873	2.8
55.05513	2.3
57.03439	1.6
65.03961	6.2
67.05496	3.5
67.83169	1.0
69.03429	3.2
69.07060	3.4
70.06590	1.3
70.64069	3.7
71.04980	1.2
73.90068	1.2
78.04713	2.8
79.05502	8.6
81.03417	4.4
81.07071	7.8
82.06610	1.1
83.04988	1.8
83.08626	1.4
85.02905	4.1
85.06518	1.1
87.93207	1.2
91.05494	11.5
93.03429	3.8
93.07063	4.6
95.04967	2.8
95.08614	5.4
97.02924	2.4
97.06528	4.0
97.10175	2.2
100.11234	4.2
103.05466	4.9
105.07053	12.5
106.04189	1.5
107.04977	12.9
107.08608	4.7
109.02872	3.8
109.06500	2.6
109.10146	4.2
110.03673	4.7
111.04466	8.5
115.05441	6.7
117.07047	3.0
118.04176	3.4
119.04959	7.9
119.08593	4.1
121.06494	3.2
121.10204	2.4
122.03669	1.8
123.04448	7.2
123.11719	2.2
124.05217	3.0
125.06008	6.1
125.09679	1.0
127.03918	2.2
128.06244	3.0
129.07021	8.2
131.04958	6.7
131.08557	2.5
132.05687	2.6
133.02866	4.9
133.06523	7.3
133.10149	3.1
135.04501	1.4
135.11679	2.4
136.05232	1.5
137.05998	11.5
137.09607	2.0
141.06960	1.1
143.08583	1.2
144.05742	2.8
145.02876	3.8
145.04863	1.7
145.06500	1.3
147.04434	8.2
147.08076	3.7
147.11700	1.5
148.05194	1.9
149.06004	3.8
151.03912	2.2
151.07527	2.7
151.40640	1.2
152.04750	2.1
153.05495	29.4
155.04997	1.7
157.06487	1.6
159.08084	9.0
160.05185	1.3
161.05997	12.7
161.09637	1.6
163.03923	1.2
163.07579	2.9
165.05478	2.6
167.07062	100.0
171.08043	2.7
172.05205	2.3
173.05949	1.4
173.13374	1.4
175.03912	1.4
175.07561	23.6
175.14915	1.8
176.28699	1.4
177.05557	9.1
178.07788	1.9
179.07091	5.5
179.08411	1.4
181.05006	2.0
182.15495	1.6
187.07564	24.7
189.05524	4.2
189.07039	1.7
189.09119	2.2
190.07796	3.4
191.07043	17.1
191.08563	2.7
195.06564	2.8
196.47044	1.2
199.07553	8.4
202.07831	4.3
203.08594	4.8
205.06506	2.7
206.07294	2.1
207.06517	4.9
207.08192	1.5
209.08063	3.6
210.14912	2.0
215.08647	1.8
216.07777	1.8
217.06618	1.9
217.08640	2.1
218.07332	4.1
219.08087	7.2
219.10051	2.4
220.08878	3.1
221.09735	3.1
222.06816	1.2
223.07541	1.4
229.08563	2.6
231.08041	5.8
232.08833	2.8
233.06009	2.8
233.09714	5.5
234.06830	3.7
235.07491	4.1
236.08359	2.7
237.09181	2.0
243.08153	1.6
245.06076	1.7
246.06783	2.1
247.07523	4.4
248.08354	3.9
249.09163	7.5
250.09848	2.0
251.07019	2.7
251.10684	4.8
259.07635	2.6
260.08405	2.3
261.05396	1.4
261.09103	4.3
262.06268	1.8
262.09903	1.5
263.07053	3.2
263.10687	2.0
264.07785	3.8
265.08624	5.5
266.09381	2.4
274.06250	2.2
275.07025	3.6
275.10287	1.5
276.07867	9.0
277.08591	6.4
278.09290	2.7
279.06723	2.6
279.10178	3.2
280.07266	1.2
281.11655	8.8
289.08505	6.0
290.09213	3.1
291.10165	4.2
292.07370	2.2
293.08105	3.8
293.11597	2.5
294.08694	2.5
295.09442	1.5
305.08032	2.6
306.08755	1.8
307.09787	12.4
308.10446	3.9
309.11356	11.2
311.09015	1.3
319.09671	9.1
320.10336	2.5
321.11377	7.1
322.11942	1.3
323.12766	4.2
326.11606	3.0
329.10190	1.8
337.10629	2.7
339.08340	2.3
339.12338	39.0
341.13892	25.1
351.12320	22.9
353.13873	11.1
369.13104	1.8
478.15961	1.2
566.92810	1.4
567.13232	1.8
567.29498	2.1
567.42261	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04280	0.2
65.03925	0.3
67.05502	0.4
68.99787	0.4
69.03407	0.5
69.61450	1.2
78.03461	0.5
79.05479	0.5
81.03403	0.6
81.07044	0.4
85.02912	0.4
86.54540	0.2
91.05451	0.4
95.08601	0.3
96.04459	0.2
97.02880	0.3
99.04447	0.2
103.03114	0.2
105.07036	0.5
106.02930	1.7
107.04961	0.5
109.02834	0.5
118.04148	0.4
119.04934	0.4
119.08604	0.3
123.04378	0.3
124.03964	12.0
125.06049	0.3
132.05687	0.3
147.04440	0.3
148.04767	0.3
153.05505	1.5
154.05753	0.3
159.08022	0.3
161.05920	0.7
167.07063	2.7
168.00569	3.2
168.07382	1.4
175.07507	0.9
176.07880	0.4
179.03386	0.2
184.05214	0.3
186.01633	1.2
187.07587	0.4
188.07825	0.3
199.07507	0.3
212.04707	0.3
213.05548	0.3
229.04956	0.4
240.04169	1.0
241.04956	0.7
249.09087	0.3
250.07082	0.9
255.06602	0.7
257.04590	0.3
258.05292	1.5
268.08179	13.5
269.04498	2.7
276.07721	0.3
283.05954	0.3
285.03928	4.6
286.04736	52.1
287.05051	0.4
294.08521	0.3
301.07083	100.0
302.07370	0.9
307.09650	0.3
308.10059	0.6
309.11157	0.4
310.11551	0.4
322.11484	0.3
339.12250	1.0
340.12650	1.6
341.13559	0.3
342.14093	0.6
351.11896	0.3
352.12671	0.5
535.52344	0.2
559.81171	0.2
568.14679	2.4
568.23303	0.3
568.26447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90704	1.3
51.18227	1.4
54.18600	1.1
55.01878	1.6
55.05540	1.6
56.33732	1.3
57.63861	1.2
65.03947	8.2
67.05521	1.4
70.84832	2.4
77.74515	1.2
78.04723	2.8
79.05503	6.4
81.03414	3.2
81.07059	2.7
85.02885	2.1
91.05499	11.4
93.03416	5.8
93.07065	3.1
94.04226	1.7
95.04998	3.1
95.08624	2.7
97.06542	1.5
100.11270	2.5
103.05469	4.8
105.07050	10.3
106.04210	2.1
107.04964	13.5
107.08612	1.5
109.02879	2.2
110.03666	4.6
111.04468	6.2
115.05450	6.2
117.07008	1.5
118.04177	3.3
119.04990	7.2
119.08620	2.4
121.06508	2.0
122.03647	1.4
123.04451	5.0
124.03983	2.7
124.05218	3.6
125.05996	9.8
127.03944	1.8
128.06255	3.8
129.07025	7.9
131.04962	4.2
131.08554	1.7
133.06509	6.7
133.10190	2.0
135.11740	1.6
136.05237	1.7
137.05984	12.1
141.07071	2.0
143.04979	1.7
143.08638	1.4
144.05766	1.5
145.06470	1.7
147.04442	10.3
147.08086	4.1
151.03986	1.6
152.04742	3.5
153.05496	39.6
155.07071	1.5
156.05701	2.2
157.06528	1.8
159.08064	8.3
160.05220	2.5
161.06013	15.8
163.07559	2.1
165.05562	1.5
167.07071	100.0
171.04376	1.8
171.08029	2.6
172.05219	3.2
175.07564	21.4
177.05499	7.4
178.07831	2.3
179.07103	7.3
179.08492	1.8
187.07576	24.2
187.09192	2.1
189.05508	5.1
189.07042	3.0
189.09125	2.5
190.07858	2.9
191.07053	7.2
191.08630	4.6
193.10149	2.5
195.36609	1.4
199.07582	7.6
202.07845	5.4
202.36896	1.5
203.08577	4.7
204.09435	1.5
205.06609	2.7
206.07312	3.0
207.06544	4.4
210.14987	1.5
215.07018	2.2
216.07838	3.6
218.07335	5.6
219.08026	9.3
220.08916	3.8
221.09669	4.5
229.08722	3.8
231.08107	3.4
232.08891	2.0
233.05981	3.5
233.09651	3.9
234.06847	4.7
235.07600	5.9
237.09184	2.1
246.06813	2.5
247.07599	6.0
248.08388	5.3
249.09206	9.9
250.06177	1.6
250.09964	1.7
251.07080	2.8
251.10709	5.4
259.07504	1.9
261.05533	2.8
261.09091	4.3
262.06339	2.1
263.07156	3.5
264.07867	5.6
265.08801	6.7
265.11462	1.2
266.09158	1.5
268.08044	3.7
273.08960	1.5
274.06421	1.6
275.07028	2.5
276.07974	7.1
277.08701	6.8
278.09500	2.6
279.07086	1.5
279.10062	6.2
280.07401	1.8
281.11829	9.8
286.04749	17.2
288.07785	2.2
289.05695	1.5
289.08649	6.8
290.09274	2.1
291.06882	1.5
291.10135	5.6
292.07535	1.9
293.08069	3.8
293.11713	2.8
294.08850	1.8
301.07120	36.2
305.08182	3.6
306.08948	3.8
307.09680	17.5
308.10468	4.6
309.08035	2.2
309.11154	9.9
310.11902	1.8
311.12833	2.6
319.09766	6.6
320.10648	1.6
321.11270	9.6
323.09378	1.5
323.12729	6.4
325.10648	1.8
326.11530	1.6
337.10632	1.8
337.83640	1.3
339.12311	55.0
341.13882	23.1
351.12286	27.4
353.13855	12.3
369.13458	3.1
375.67477	1.4
411.24713	1.5
553.51764	1.4
567.20496	1.5
568.14288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.0
55.01875	3.3
57.03431	2.2
61.02916	1.7
67.05493	1.0
68.99786	2.0
69.03087	0.7
69.03437	11.5
69.07064	0.6
69.42457	0.4
70.28297	1.0
70.28660	1.1
71.04995	1.8
73.02929	2.7
79.05503	2.4
81.03423	14.0
81.07069	1.4
85.02914	27.9
87.00843	10.5
91.03952	0.9
91.05499	1.1
93.03398	0.8
93.07055	0.7
94.04218	0.5
95.04990	0.8
95.08596	1.2
97.02906	10.6
97.06524	0.9
99.04459	5.2
103.03931	0.9
105.01883	7.7
105.07101	0.6
107.04954	0.7
107.08592	0.6
108.04508	1.2
109.02889	12.1
109.06542	3.6
109.10130	1.1
115.03911	0.8
117.01869	1.6
117.03368	0.7
119.05008	0.6
120.33853	0.5
121.06483	0.9
121.10139	1.4
123.04470	0.5
125.05995	0.8
127.03934	18.8
129.01857	2.2
131.04932	0.7
133.06407	0.7
137.05991	59.8
138.03123	5.4
145.03000	1.0
145.04971	10.1
147.02905	0.8
147.04474	0.6
149.05948	1.0
149.13217	0.7
153.05481	100.0
159.02907	8.2
159.04262	0.7
161.05998	10.4
162.03154	0.9
175.07574	0.8
177.04021	0.7
177.05466	7.1
179.06999	3.3
189.03894	0.6
189.99658	0.5
191.07036	0.9
195.06523	1.0
195.08096	1.8
196.66103	0.5
197.05946	0.5
203.07031	1.5
207.06598	1.7
213.03880	1.0
219.06400	0.6
223.07518	1.8
231.04958	4.0
239.07237	0.5
241.08589	1.1
243.06526	0.7
248.07614	0.8
251.07097	0.8
261.07635	1.4
266.08652	0.6
267.06436	0.8
269.08151	4.6
270.08762	0.5
283.06189	0.8
283.09726	0.7
284.06854	0.9
293.08167	0.7
299.09158	5.5
300.09866	1.2
301.10727	36.5
307.09634	0.5
311.09241	0.9
313.10699	4.1
325.10672	4.3
343.11798	9.3
353.10095	0.6
363.12180	0.6
367.11862	3.4
387.09933	0.5
391.11331	1.2
409.12836	8.7
495.12796	0.7
513.13947	4.3
531.14746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.05514	15.7
57.07070	13.7
59.05006	6.5
67.05515	41.1
67.31540	3.8
69.07072	23.9
69.19065	41.6
71.08633	5.6
79.05510	23.8
81.07066	42.3
82.63853	4.3
83.08614	11.3
84.77222	3.9
91.05492	35.4
93.07059	53.3
95.04947	4.4
95.08614	51.7
98.21628	6.0
103.05466	3.9
105.07037	81.9
107.08615	43.9
109.06488	5.4
109.10160	53.7
113.80714	3.8
115.05492	4.3
117.07019	13.6
119.08599	100.0
121.10159	64.7
121.78736	3.6
123.08120	5.4
123.11729	18.5
128.06244	11.4
129.07047	12.4
130.07793	4.4
131.08582	31.0
133.08691	4.7
133.10150	57.1
135.08080	9.7
135.11705	34.5
141.06985	9.8
142.07794	13.1
143.08609	34.2
145.07565	3.8
145.10136	52.5
147.11688	24.6
149.09680	5.9
149.13297	5.7
153.06975	3.8
155.08559	17.0
156.09384	16.0
157.10141	61.2
158.10896	7.3
159.08099	6.6
159.11746	33.1
161.13240	8.8
167.08583	11.2
167.10709	10.1
168.09357	10.5
169.10124	30.3
170.10944	7.1
171.11739	31.3
172.79547	4.4
173.09648	8.7
173.13263	27.2
175.11200	6.5
175.14799	40.6
177.12778	11.8
178.13104	8.5
179.08562	9.8
180.09290	4.6
181.10165	16.2
182.10988	8.8
183.11748	21.9
185.09613	7.7
185.13309	16.0
187.14836	11.5
189.12740	6.3
193.10155	5.9
194.10945	8.5
195.11729	16.6
196.12531	5.9
197.13278	31.1
199.11230	10.3
199.14844	5.4
201.16489	9.2
206.10939	5.1
207.11670	15.2
208.12483	9.4
209.13321	16.3
211.11377	6.0
211.14851	11.7
213.12671	5.6
213.16426	16.0
215.14417	5.3
221.13368	6.2
223.14842	18.0
225.12746	8.1
225.16550	4.9
231.11772	6.0
233.13298	8.8
234.14140	4.7
235.14851	7.9
239.17967	7.4
258.14197	4.7
263.17853	5.3
270.17731	5.2
273.18607	31.3
279.21112	11.8
299.20190	47.9
315.20956	5.4
319.23999	5.1
336.25970	5.2
375.23297	5.0
407.65283	4.7
467.37354	11.5
473.33917	7.1
530.39111	7.6
565.27130	13.6
565.40503	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
56.94416	0.3
56.97137	0.3
57.03434	0.4
65.40965	0.3
67.03675	0.3
67.05497	0.4
67.42356	0.3
69.03446	2.4
69.79984	1.3
72.23324	0.3
79.05510	0.6
81.03415	2.9
81.07053	1.2
81.37759	0.3
85.02914	1.2
89.03917	4.9
91.05492	0.8
93.07047	0.7
95.04990	0.5
95.08589	0.8
97.02914	0.8
97.06527	1.0
98.20850	0.6
99.04466	0.6
103.05449	0.4
105.07057	0.7
107.08616	0.4
108.59147	0.4
109.02877	1.4
109.06519	0.4
109.10150	0.6
117.03391	16.3
118.78002	0.3
119.04995	0.5
119.08567	0.9
121.10177	0.9
122.73508	0.3
123.04491	0.4
127.03899	0.8
127.51402	0.3
131.08539	0.4
133.10135	0.7
134.03664	0.8
135.04434	0.7
137.05989	1.3
145.02852	44.6
147.04398	0.8
147.11714	0.4
147.73979	0.3
149.05978	6.7
149.09610	0.4
158.06021	0.4
161.05882	0.5
162.03160	0.4
163.03915	1.1
167.07022	0.8
177.05481	100.0
178.05887	0.4
184.44012	0.3
186.05493	1.2
191.14383	0.4
195.06525	1.2
203.06985	0.4
207.06529	1.3
209.15329	0.4
264.48907	0.4
283.25482	0.3
286.04797	0.7
287.04932	0.6
288.05359	0.7
301.07083	1.3
302.04190	0.3
302.07446	1.0
303.07666	1.3
305.29517	0.4
317.06479	0.6
321.09729	3.5
339.10764	10.8
339.52643	0.3
387.14859	0.4
565.21765	0.8
565.30133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73144	0.2
57.03450	0.9
59.42450	0.2
68.99816	0.4
69.03082	0.2
69.03437	2.7
69.37627	1.1
70.06587	0.2
70.92328	0.2
81.03436	0.3
85.02912	2.2
87.04472	1.3
89.06041	0.4
91.05476	0.8
93.07040	0.2
95.05020	0.3
97.02901	1.7
98.20693	0.2
109.02893	0.3
112.29710	0.2
115.03936	1.3
117.03424	0.2
119.04943	0.5
119.05939	0.1
119.08563	0.2
121.02851	0.2
127.03973	0.4
133.04985	1.3
133.08617	0.5
145.02852	1.2
145.06552	0.2
147.04433	0.2
149.02354	1.8
149.09607	0.2
151.07613	0.3
153.01848	3.6
159.04407	0.6
161.48500	0.2
165.01865	0.3
167.07040	0.3
169.06519	0.7
177.05484	0.9
187.07552	0.4
197.06010	0.6
205.12306	0.3
207.06610	0.3
215.07059	4.4
215.09128	0.3
217.94739	0.2
223.13298	1.5
225.05533	0.3
243.06511	2.9
251.74261	0.2
253.04984	1.3
255.11426	0.3
269.08246	0.3
271.06033	100.0
272.06421	0.5
283.06076	0.4
302.04178	1.7
313.07010	0.7
317.06613	3.3
371.11780	0.2
403.09882	0.2
433.11359	7.0
565.25354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1559
Annotation	Apiin
Peak:m/z	Relative Intensity
52.01152	0.1
55.05482	0.1
57.03404	0.2
66.30242	0.1
67.01865	0.4
67.02153	0.1
68.99799	0.3
69.03431	0.6
70.63840	0.1
70.64178	0.2
71.05004	0.4
73.02888	0.2
81.07016	0.1
83.04975	0.1
85.02917	1.2
87.04443	0.4
91.05466	0.4
93.07011	0.1
95.04870	0.1
97.02898	0.6
98.20882	0.1
105.06992	0.1
109.06479	0.1
115.03922	0.7
116.63451	0.1
117.03370	0.1
119.04946	1.6
120.06093	0.1
121.02856	0.5
127.03934	0.2
129.01724	0.1
129.05463	0.1
133.04997	0.7
140.98779	0.1
145.02838	0.7
147.04402	0.1
147.06526	0.1
153.01836	4.5
163.03897	0.4
171.02879	0.3
173.13156	0.1
176.03441	0.1
177.05431	0.3
187.04028	0.1
191.14348	0.1
203.07120	0.1
225.05453	0.1
229.04904	0.2
243.06522	0.3
247.06021	0.2
251.25786	0.1
253.05075	0.1
271.06018	100.0
272.06381	0.4
287.05511	2.8
302.04474	0.1
317.06302	0.2
365.80612	0.1
433.11346	6.6
438.06046	0.1
565.15491	3.8
565.23297	0.2
576.71436	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1559
Annotation	Apiin
Peak:m/z	Relative Intensity
56.73144	0.2
57.03450	0.9
59.42450	0.2
68.99816	0.4
69.03082	0.2
69.03437	2.7
69.37627	1.1
70.06587	0.2
70.92328	0.2
81.03436	0.3
85.02912	2.2
87.04472	1.3
89.06041	0.4
91.05476	0.8
93.07040	0.2
95.05020	0.3
97.02901	1.7
98.20693	0.2
109.02893	0.3
112.29710	0.2
115.03936	1.3
117.03424	0.2
119.04943	0.5
119.05939	0.1
119.08563	0.2
121.02851	0.2
127.03973	0.4
133.04985	1.3
133.08617	0.5
145.02852	1.2
145.06552	0.2
147.04433	0.2
149.02354	1.8
149.09607	0.2
151.07613	0.3
153.01848	3.6
159.04407	0.6
161.48500	0.2
165.01865	0.3
167.07040	0.3
169.06519	0.7
177.05484	0.9
187.07552	0.4
197.06010	0.6
205.12306	0.3
207.06610	0.3
215.07059	4.4
215.09128	0.3
217.94739	0.2
223.13298	1.5
225.05533	0.3
243.06511	2.9
251.74261	0.2
253.04984	1.3
255.11426	0.3
269.08246	0.3
271.06033	100.0
272.06421	0.5
283.06076	0.4
302.04178	1.7
313.07010	0.7
317.06613	3.3
371.11780	0.2
403.09882	0.2
433.11359	7.0
565.25354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94421	0.3
52.27259	0.3
55.05505	0.6
56.06530	0.3
57.07069	0.6
67.05499	1.2
69.03430	0.5
69.07078	0.4
70.06573	0.5
71.52622	0.4
79.05492	0.5
81.03387	0.6
81.07056	1.0
83.08649	0.4
85.02906	0.4
87.96673	0.3
91.05479	0.6
93.07063	0.4
95.04923	0.4
95.08636	0.4
96.25011	0.3
97.02911	0.4
97.06556	0.3
105.07013	0.4
107.08605	0.3
113.05778	0.5
116.07101	1.0
127.03872	0.4
141.17313	0.3
149.02330	5.0
171.00555	0.4
175.07639	0.9
185.04315	0.4
193.04977	1.1
197.60078	0.3
199.07367	0.9
203.05334	0.4
229.14362	0.4
231.63322	0.3
243.06300	0.5
243.91136	0.3
245.08113	2.5
261.07419	2.5
273.34253	0.3
275.10995	3.0
289.05432	0.4
289.13257	0.4
299.12601	7.3
317.13699	16.5
345.13181	1.4
359.14749	0.5
423.12329	0.7
461.18027	0.8
465.12695	0.4
471.66379	0.3
479.18915	12.4
521.19995	34.6
522.20020	0.4
565.18958	100.0
566.19183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55465	0.4
53.03956	0.6
55.05508	1.2
56.23806	0.5
57.03432	0.7
57.07068	0.4
60.67971	0.4
61.75080	0.4
67.05503	1.2
68.98250	0.4
69.03434	1.8
69.07071	0.9
69.85226	0.5
70.04743	0.3
71.04991	0.5
71.52248	0.4
71.52596	0.4
73.02893	0.4
79.05499	1.4
81.03435	2.8
81.07049	2.7
83.04992	0.8
83.08634	0.6
84.08144	0.5
85.02911	1.9
85.06532	0.6
89.03930	4.7
91.05499	2.6
93.07072	2.0
95.04964	1.3
95.08608	1.6
97.02898	1.0
97.06535	2.8
99.04449	0.8
103.05448	0.6
105.07046	1.7
107.04968	0.7
107.08612	1.9
109.02872	1.2
109.06533	1.7
109.10161	1.1
117.03390	14.4
117.07043	0.7
119.04939	1.8
119.08598	1.0
121.06517	0.7
121.10162	1.3
122.03551	0.5
123.04501	0.4
123.08096	1.3
123.11739	0.8
127.03933	1.2
131.08569	0.9
133.10153	1.6
134.03651	1.4
135.04443	1.0
135.08110	0.5
135.11676	0.6
137.06004	3.1
145.02858	41.3
145.10141	0.7
147.04410	1.9
147.11723	0.6
149.05992	4.7
149.09624	0.8
151.03990	0.4
151.07545	0.9
151.11205	0.5
153.09114	0.9
163.03958	0.5
165.05423	0.4
165.12819	0.5
167.06999	2.1
173.06020	0.6
173.13307	1.1
175.03969	1.7
177.05489	100.0
177.16365	0.6
179.07030	0.8
181.05061	1.0
186.05519	1.1
191.07103	0.8
191.14313	2.4
195.06520	1.0
207.06573	3.5
209.15378	3.1
233.08394	0.5
241.08730	0.6
287.05200	0.5
311.12814	0.5
317.06573	1.0
321.09662	1.8
331.08072	0.7
339.10861	5.9
371.05774	0.5
407.91531	0.5
565.19940	1.0
565.37347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1191
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03943	1.1
57.03440	1.2
61.02878	0.7
69.03136	0.6
69.03434	6.0
69.38721	0.5
69.69781	2.1
69.70191	1.4
73.02899	1.3
76.08797	0.6
81.03419	4.2
85.02902	5.3
87.00837	1.9
87.04444	0.7
93.07021	0.8
97.02900	2.7
99.04455	1.9
105.01901	0.7
109.02882	4.0
117.03383	1.4
127.03928	5.0
137.02353	1.7
145.02829	4.6
145.04976	1.6
149.05994	0.8
153.01849	0.8
177.04047	1.1
177.05489	8.4
187.05913	0.7
201.05563	0.8
228.04222	2.5
229.05138	0.7
245.04482	1.1
256.03769	0.9
257.04483	1.1
273.04007	1.1
274.04791	4.1
285.03958	1.3
301.03436	11.7
302.04233	54.2
313.03244	0.9
315.05103	0.7
317.06586	100.0
318.06781	1.1
339.11133	0.6
359.07788	2.0
418.93805	0.7
479.11874	20.5
521.13123	1.1
547.10822	3.7
565.12024	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	565.1197
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01866	0.3
57.03408	0.4
68.99778	0.4
69.03431	2.0
70.06573	0.2
71.51577	0.3
73.02898	0.2
79.05463	0.2
81.03387	0.6
81.07022	0.2
85.02915	1.9
87.00821	0.4
87.04494	0.9
91.05434	0.3
93.07013	0.2
97.02895	1.7
99.00799	0.3
99.04458	0.2
100.07599	0.2
101.05937	0.2
105.01865	0.3
106.04805	0.2
109.02895	0.9
115.03960	1.1
117.03255	0.2
119.04909	0.2
127.00275	0.5
127.03941	0.9
133.04973	1.1
133.10066	0.2
134.03613	1.1
135.04401	0.4
137.02328	0.2
137.05948	0.2
140.01079	0.4
145.02815	0.7
145.04904	0.2
145.10126	0.3
147.04414	0.3
149.02365	0.2
151.03864	0.3
153.01846	1.1
159.02991	0.2
163.03885	0.2
167.07024	0.4
168.00557	5.5
169.01341	1.5
177.05447	1.6
179.03494	0.2
183.02956	0.3
184.05127	0.2
186.01619	1.9
199.19067	0.2
200.04614	0.4
207.06419	0.2
215.07033	0.6
217.04858	0.2
218.05740	0.7
222.93703	0.2
228.04169	0.7
229.04935	0.7
231.04944	0.2
243.06232	0.4
245.04523	1.3
246.05244	1.5
253.04965	0.3
256.03738	0.9
257.04379	1.2
261.07608	0.2
268.10995	0.2
271.06030	15.1
273.03857	0.4
274.04767	1.0
284.03278	0.8
285.03806	1.1
299.05432	0.4
301.03430	3.1
302.04227	44.7
317.06570	100.0
318.06845	0.6
343.51923	0.2
495.05685	0.2
521.25623	0.2
565.11786	0.2
565.24780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01878	2.7
55.05514	22.7
67.05504	7.7
69.03434	5.9
69.07076	19.2
69.42313	5.1
69.42729	11.3
70.06587	4.1
71.04991	2.7
72.49165	2.0
79.05509	11.2
81.03399	2.7
81.07054	28.3
83.04990	8.6
83.08630	4.4
85.02908	6.9
91.05505	5.1
93.07049	17.0
95.04983	5.8
95.08608	18.7
97.02884	5.7
97.06538	57.0
97.10170	37.2
99.04460	4.4
105.07045	24.1
107.08601	17.7
109.06535	8.3
109.10165	11.8
116.07079	4.1
119.08552	14.6
121.06553	5.8
121.10164	14.0
123.08062	10.2
123.11714	13.7
125.09641	9.6
127.07542	2.6
131.08586	4.8
133.10153	7.0
135.08080	2.8
135.11670	10.3
137.09607	7.5
137.13316	2.9
139.11174	3.1
143.10692	8.6
145.10156	8.3
147.11699	38.7
149.09665	12.9
149.13275	4.8
151.07567	4.6
151.11188	8.9
157.10085	2.4
157.12241	3.0
159.11702	9.3
161.05954	2.9
161.09644	2.7
161.13228	9.7
163.03918	5.4
163.11224	7.5
163.14905	2.8
165.09131	3.2
165.12770	24.8
171.11647	5.4
173.09503	2.6
175.11203	5.9
177.05493	2.6
177.12794	7.4
179.14328	6.8
187.11118	3.2
187.14845	3.3
189.12791	4.6
191.14545	2.5
193.12239	25.6
196.57585	2.3
199.14818	3.1
205.12260	6.1
207.13864	7.2
215.14413	3.7
221.15378	3.0
223.13168	2.8
229.14365	22.4
241.08617	6.7
243.15924	13.7
259.09641	13.1
267.21048	4.9
285.22180	6.1
295.20627	3.3
301.06705	3.4
303.23199	14.9
305.24799	3.6
311.12756	2.4
313.21555	18.3
315.08563	7.3
316.09039	11.8
321.24231	11.9
327.16010	9.2
331.22705	76.9
337.14426	5.6
349.23764	71.1
349.28119	2.4
355.15402	30.9
360.01288	2.3
367.24829	100.0
385.25980	2.8
388.16937	2.0
444.06631	2.1
493.27960	5.1
511.28836	2.6
564.19385	2.9
564.34717	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
55.03174	2.5
55.05525	23.8
57.03423	8.5
57.07052	3.3
59.04976	3.1
61.13779	2.6
66.34393	2.9
67.05511	66.1
69.07069	18.5
71.04957	3.5
71.52186	4.2
79.05495	34.7
81.06596	5.9
81.07057	100.0
83.04983	6.1
83.08618	11.8
90.10134	2.6
91.05483	32.1
93.07047	41.2
95.04970	8.1
95.08619	45.3
97.06507	6.4
97.10181	4.9
105.07033	43.1
107.08595	26.6
109.10146	23.0
111.08099	4.0
117.07026	6.1
119.08567	28.8
121.10133	28.5
123.08076	5.2
123.11708	25.9
125.09624	4.4
131.08566	12.3
133.10123	15.4
135.11723	14.0
137.13280	2.9
139.87100	2.7
145.10133	10.8
147.11693	45.5
149.09618	3.6
149.13261	5.0
157.10164	5.3
159.11726	8.4
161.13261	5.2
163.11253	3.9
163.14793	4.7
165.12761	23.5
173.13295	7.6
183.13789	5.7
187.14864	4.9
193.12222	4.3
202.88504	3.3
227.12601	3.5
229.14342	4.0
243.21172	8.9
261.22104	30.0
267.15906	38.1
277.21463	3.6
279.23282	4.2
285.16968	40.2
289.21527	2.9
317.24689	4.3
335.25833	36.6
453.33429	5.3
471.34689	4.8
527.37225	8.8
545.38397	38.3
563.26404	5.5
563.39246	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	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
55.03174	2.5
55.05525	23.8
57.03423	8.5
57.07052	3.3
59.04976	3.1
61.13779	2.6
66.34393	2.9
67.05511	66.1
69.07069	18.5
71.04957	3.5
71.52186	4.2
79.05495	34.7
81.06596	5.9
81.07057	100.0
83.04983	6.1
83.08618	11.8
90.10134	2.6
91.05483	32.1
93.07047	41.2
95.04970	8.1
95.08619	45.3
97.06507	6.4
97.10181	4.9
105.07033	43.1
107.08595	26.6
109.10146	23.0
111.08099	4.0
117.07026	6.1
119.08567	28.8
121.10133	28.5
123.08076	5.2
123.11708	25.9
125.09624	4.4
131.08566	12.3
133.10123	15.4
135.11723	14.0
137.13280	2.9
139.87100	2.7
145.10133	10.8
147.11693	45.5
149.09618	3.6
149.13261	5.0
157.10164	5.3
159.11726	8.4
161.13261	5.2
163.11253	3.9
163.14793	4.7
165.12761	23.5
173.13295	7.6
183.13789	5.7
187.14864	4.9
193.12222	4.3
202.88504	3.3
227.12601	3.5
229.14342	4.0
243.21172	8.9
261.22104	30.0
267.15906	38.1
277.21463	3.6
279.23282	4.2
285.16968	40.2
289.21527	2.9
317.24689	4.3
335.25833	36.6
453.33429	5.3
471.34689	4.8
527.37225	8.8
545.38397	38.3
563.26404	5.5
563.39246	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	564.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51886	0.5
55.05493	0.5
59.05010	6.2
69.03436	2.1
70.06593	1.6
71.52203	0.7
72.08154	1.5
73.02908	0.6
73.06551	1.1
77.00626	0.5
79.05515	0.6
81.03423	1.7
82.06599	0.5
82.50433	0.5
84.04530	0.6
84.08160	0.9
85.02901	4.4
86.09724	0.7
87.04474	3.5
89.06039	100.0
91.05474	0.9
93.07051	0.5
95.01659	0.8
95.04985	0.5
95.73792	0.4
97.02913	1.6
97.06537	0.8
103.07581	2.8
105.07053	1.0
107.07103	1.5
107.08594	0.8
109.02876	1.7
111.04460	0.5
119.05013	0.8
121.06503	0.7
121.10159	0.8
124.03967	0.6
126.05650	0.6
127.03970	2.1
129.05525	0.8
130.08678	1.0
131.07095	0.8
133.08614	56.5
137.05972	1.0
145.02907	0.6
145.83650	0.6
147.04443	3.4
147.06412	0.5
147.10201	1.8
148.33269	0.5
163.03992	0.9
166.08685	1.0
167.07066	0.6
177.05525	1.9
177.11232	19.9
181.08633	0.7
191.12825	1.4
195.12451	0.9
221.13835	4.8
237.19409	0.5
239.14848	3.6
283.17514	4.6
309.18835	0.6
315.10388	0.6
327.20169	60.0
367.23544	0.9
385.24356	45.0
399.57062	0.6
564.22003	1.1
564.32422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98925	2.3
53.03937	4.8
55.01875	7.7
55.05522	37.9
57.03451	15.1
57.07085	5.0
65.03948	3.6
67.05514	95.4
69.03442	3.5
69.06721	3.9
69.07079	33.7
69.82097	9.8
69.82508	4.3
71.04999	9.3
71.08656	3.4
79.05504	61.3
81.03419	10.1
81.07070	100.0
83.04976	10.3
83.08636	26.9
85.02874	3.0
85.06544	6.4
91.05490	57.2
93.07061	79.9
95.04993	15.6
95.08622	69.2
97.06554	11.5
97.10189	20.4
98.21458	3.1
99.08120	2.3
105.07050	62.7
107.04986	2.9
107.08615	46.2
109.06529	5.6
109.10184	33.5
111.08127	6.9
113.21613	2.4
115.05461	3.2
117.07010	17.5
119.08598	49.4
121.06506	5.4
121.10170	40.3
123.08089	8.4
123.11739	10.5
125.09672	13.3
128.06261	4.7
129.07014	11.1
131.08589	37.3
133.10138	36.4
135.08054	5.3
135.11737	19.1
137.09633	3.9
137.13284	4.3
139.11192	9.5
141.07030	2.4
141.78638	2.5
143.08577	14.4
145.10141	30.0
147.11707	24.8
149.09671	5.8
149.13263	12.0
151.11227	2.9
155.08618	5.8
155.10555	3.5
157.10107	14.3
159.11694	17.5
161.13272	16.6
163.11188	5.2
163.14859	4.1
165.12846	3.1
167.08546	4.1
169.10159	9.8
171.11740	15.6
173.11801	5.5
173.13268	18.7
175.11223	5.4
175.14825	8.3
177.12759	3.1
181.10173	3.9
183.11703	7.2
185.13312	8.4
187.14885	7.8
189.11246	11.1
189.12805	3.3
191.14189	2.5
193.12251	7.6
195.11789	5.1
197.13315	6.4
199.14862	9.7
201.14880	4.3
203.12764	6.1
203.14481	3.0
211.14920	5.1
223.14853	2.9
227.12811	13.0
229.14287	5.2
231.17395	2.8
239.16376	4.5
241.14360	8.1
243.21101	5.3
247.16913	2.8
259.15466	3.6
259.20633	4.6
261.22205	8.6
267.15909	13.4
269.17502	3.8
271.20667	4.8
275.20099	2.8
285.17017	2.9
285.22034	3.4
287.23700	7.2
289.21585	9.7
291.23099	2.7
301.25333	7.1
303.23325	3.0
305.24796	5.1
316.89963	2.3
317.24985	6.0
335.25848	12.5
351.25830	3.3
361.27304	5.9
363.25211	5.7
417.31326	5.4
435.32492	12.7
453.33783	18.4
471.34885	17.4
487.33871	4.3
489.35489	3.1
491.35699	2.6
509.36292	5.6
527.37384	50.1
545.38440	86.1
563.39703	35.4
571.41516	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05496	0.2
57.03437	0.2
60.20204	0.2
62.02117	0.2
67.05482	0.4
67.89114	0.1
68.99792	0.3
69.03421	0.5
71.04972	0.2
71.06586	0.3
73.02922	0.2
79.05486	0.2
80.74166	0.1
81.03435	0.4
81.07054	0.5
83.04993	0.1
84.08145	0.6
85.02904	0.7
85.70107	0.1
87.00835	0.3
91.05478	0.4
93.07029	0.2
95.08633	0.4
97.02890	0.3
97.06511	0.3
99.04440	0.4
105.07019	0.2
107.04939	0.1
107.08584	0.3
109.02882	0.6
109.10159	0.3
110.53372	0.1
115.03983	0.2
116.07165	0.2
119.08538	0.2
127.03893	0.8
132.05695	1.5
133.06490	0.4
133.10129	0.2
135.11691	0.2
140.01074	0.3
145.04918	0.2
147.02956	0.2
147.11670	0.2
156.34860	0.2
159.02943	0.4
167.07004	0.2
168.00543	1.8
179.03384	0.1
186.01616	1.1
213.05479	0.2
226.06099	0.2
227.06970	0.2
229.05002	0.7
239.03348	0.2
241.05150	0.2
243.06505	0.2
254.05840	1.0
255.06564	0.3
257.04477	1.5
269.04697	0.3
269.08145	0.6
270.05185	0.3
271.06012	0.9
272.06839	1.0
279.23318	0.1
282.05185	0.5
283.05896	0.3
285.03943	4.6
297.07748	0.3
299.05505	5.9
300.06293	52.2
301.06635	0.5
302.04138	0.3
315.08624	100.0
316.08978	0.7
338.24130	0.2
514.37390	0.2
563.20782	0.2
563.34619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67682	0.2
53.03953	1.3
55.01865	0.9
55.27404	0.2
57.03443	1.4
58.83718	0.2
61.02940	1.2
66.96252	0.2
68.99799	1.0
69.03436	8.4
69.07050	0.2
70.03703	0.2
70.04699	0.8
71.01330	0.4
71.05002	0.9
73.02919	1.4
79.05505	0.2
81.03423	7.2
81.07043	0.3
84.08161	0.9
85.02911	10.8
87.00323	0.2
87.00832	3.3
87.04464	0.3
91.03923	0.3
91.05477	0.2
93.07035	0.3
95.08582	0.4
97.02902	3.5
99.04457	1.9
101.02357	0.5
103.03947	1.2
105.01881	1.7
107.08551	0.2
108.02074	1.0
109.02890	5.3
109.10147	0.2
111.38651	0.2
115.03860	0.2
117.01836	0.6
117.03381	0.3
118.04166	0.5
118.28684	0.2
119.04918	0.3
123.11720	0.2
127.03928	7.5
129.01855	1.2
144.05710	0.2
145.02826	0.5
145.04964	1.7
147.02905	0.5
147.04437	0.4
159.02890	1.5
169.06456	0.6
170.07257	0.2
176.12598	0.2
177.05467	1.1
181.06514	0.3
187.06030	0.8
189.03960	0.3
191.08475	0.2
197.05991	0.3
213.03914	0.6
226.06253	6.3
226.08490	0.3
231.04945	0.6
250.06110	0.2
252.04237	0.3
253.04936	0.3
254.05754	19.5
255.06409	0.2
257.04330	0.2
267.06540	0.3
269.04333	0.2
269.08014	0.5
270.05109	0.4
271.06039	0.9
278.05838	0.4
282.05258	15.4
283.05875	0.3
285.07550	0.7
287.09149	0.3
296.06818	0.4
297.07507	0.3
299.05453	0.7
300.06317	8.9
301.07077	0.4
306.05237	0.3
313.07059	3.2
314.07693	0.2
315.08627	100.0
316.09079	0.5
327.08459	0.2
339.08725	0.7
353.09988	0.2
357.09738	3.8
369.09613	0.4
381.09689	0.6
383.11090	0.3
404.01419	0.2
406.02277	0.2
451.61569	0.2
453.00330	0.2
459.12424	0.2
477.13959	7.7
477.29395	0.3
519.15192	0.6
545.13019	2.0
563.13953	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	563.1766
Annotation	Glycyroside
Peak:m/z	Relative Intensity
58.18909	0.1
59.04990	0.4
65.03931	0.1
69.03410	0.2
69.07041	0.1
70.63960	0.2
72.70850	0.1
78.79791	0.1
79.05499	0.2
81.03429	0.1
81.07043	0.3
85.02913	0.3
89.06030	0.5
91.05434	0.1
92.59509	0.1
93.07036	0.3
95.08611	0.2
97.02879	0.2
97.06554	0.2
105.07046	0.2
107.04957	1.2
107.08599	0.2
117.02154	0.1
118.04177	2.0
119.04910	0.1
119.08540	0.1
123.06480	0.1
127.03939	0.2
133.02913	0.2
133.06499	0.3
133.08627	0.1
134.59760	0.1
135.04486	0.1
136.01569	0.5
137.02356	0.6
137.05960	0.4
145.02875	0.2
147.04457	0.2
154.02655	0.7
156.05678	0.2
163.03928	0.3
166.08626	0.1
177.05469	0.5
181.06467	0.4
182.07242	0.4
195.08069	0.1
197.04317	0.2
197.06009	1.0
198.06726	0.6
199.89005	0.1
213.09129	4.6
225.05562	0.5
226.06239	2.6
237.05487	4.1
241.08612	0.3
251.07169	0.2
253.02473	0.2
253.04987	3.5
254.05760	5.2
269.08099	100.0
270.08374	0.6
315.08725	0.4
339.67542	0.1
349.94662	0.1
401.11987	0.1
431.13388	1.1
563.17566	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01866	9.9
55.05517	40.3
57.03434	10.7
57.07059	4.7
65.03946	4.3
67.05508	84.5
69.03431	5.8
69.07076	20.9
69.86803	4.8
69.87198	7.5
71.04987	7.9
79.05064	4.2
79.05494	46.6
81.03418	27.9
81.07064	100.0
81.44411	2.7
83.04998	15.3
83.08628	28.4
85.02900	11.1
85.06532	3.2
91.05489	45.6
93.07052	62.7
95.04986	15.8
95.08611	53.7
97.06532	11.7
97.10195	13.4
98.10493	3.1
99.04470	2.8
99.08111	3.5
105.07039	47.3
107.04970	5.2
107.08601	44.0
109.06554	4.5
109.10168	35.1
111.04432	5.8
111.08057	9.9
113.09638	4.1
115.05473	3.2
117.07021	17.3
119.08595	38.8
119.16692	2.5
121.06470	5.1
121.10165	31.4
122.12717	2.6
123.08089	7.1
123.11732	15.2
125.09633	10.6
128.06203	3.5
129.07008	9.5
131.08585	33.7
133.10141	39.7
135.08087	5.7
135.11714	16.0
137.09679	6.0
137.13222	4.8
141.06894	3.1
142.07811	3.5
143.08597	12.3
145.10129	26.8
147.11710	22.8
149.09642	7.1
149.13293	9.5
153.12762	3.5
155.08505	6.3
157.10092	17.9
159.11697	10.2
161.13280	11.4
163.11162	7.3
165.33112	2.6
169.10156	9.9
171.11772	12.7
173.13254	15.0
175.11229	8.2
175.14752	4.8
177.12715	4.4
181.12199	2.8
183.11652	7.2
185.13284	9.4
187.13278	3.0
187.14861	8.6
189.11221	8.1
193.10510	3.8
193.12222	21.9
195.11703	3.9
197.13263	8.0
199.14839	3.5
207.11740	3.2
209.13380	4.1
211.13252	30.2
211.14958	4.0
221.15332	4.7
227.12871	12.1
229.14386	4.8
243.21112	3.2
261.22165	11.6
267.15909	5.9
275.20187	3.1
285.17014	18.4
285.22037	4.6
299.23724	3.2
301.25403	3.8
303.23294	7.8
303.81033	2.8
317.24878	6.6
335.25916	18.1
359.25711	6.7
417.31537	3.2
435.32507	11.4
451.24335	2.7
453.33438	11.6
471.34650	11.3
487.34274	3.2
489.35724	3.7
527.37476	33.4
545.38318	91.4
563.26532	21.2
563.39240	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68576	0.6
54.47731	0.5
55.01877	12.9
55.05502	0.8
57.03428	2.8
58.13102	0.6
59.05005	5.7
69.03419	2.5
69.07037	0.9
71.01347	0.6
71.04986	0.9
71.51566	0.7
73.02924	31.1
73.06557	1.5
78.91071	0.6
79.30180	0.5
81.03432	0.8
81.07061	1.9
83.04993	1.1
85.02465	0.9
85.02898	4.7
85.06544	1.0
87.04477	8.7
89.06039	60.6
91.05475	1.7
93.07027	1.0
95.04959	0.9
95.08609	1.2
97.02895	1.6
97.06533	1.1
99.04461	100.0
101.06023	1.9
103.03955	5.6
103.07593	1.5
105.07053	1.4
107.07069	1.0
109.02934	1.0
109.10226	0.9
113.06019	6.1
115.32219	0.6
117.05503	59.0
117.09125	2.3
119.04927	0.8
121.10151	1.3
127.03933	2.0
129.05505	1.7
129.09196	0.6
130.08662	0.8
131.07045	7.7
133.08615	36.0
141.05521	1.0
142.36655	0.7
143.07085	1.7
144.06589	1.2
147.04445	1.2
150.07768	0.7
157.08646	7.6
159.06610	1.2
161.08128	5.6
167.07115	0.8
175.09653	4.5
175.13248	0.7
177.05510	1.0
177.11241	14.0
187.09691	1.6
188.03772	1.0
203.07347	0.8
203.09210	2.2
205.10716	3.4
207.06683	0.8
219.12271	0.8
221.13792	3.4
224.09128	1.5
249.13310	4.1
265.16452	1.3
292.57339	0.7
293.15918	0.9
299.05460	0.8
300.06296	4.5
300.09302	0.7
315.08621	18.2
327.20206	1.9
356.08582	0.8
371.22995	1.1
381.09796	1.3
382.10251	1.9
383.26907	0.8
400.11197	2.1
415.25479	5.0
428.23837	0.6
435.24850	0.6
527.30621	3.8
545.31586	1.7
562.25177	1.3
562.33545	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	562.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01865	3.7
55.05514	15.9
57.03444	15.4
58.45058	1.4
67.05511	20.6
69.03424	5.9
69.07066	7.0
71.04984	3.4
79.05070	2.1
79.05498	24.4
81.03426	94.1
81.07065	23.0
83.04979	11.2
83.08628	23.0
85.02910	13.9
91.05489	28.0
92.44122	1.4
92.59099	1.4
93.07047	15.4
95.04971	27.0
95.08602	9.8
97.02892	3.3
97.06539	12.6
97.10173	5.3
99.08071	1.7
105.07034	18.3
107.04935	7.6
107.08584	8.6
109.06516	6.4
109.10158	3.5
111.04425	2.0
111.08075	7.9
113.06004	1.9
116.07059	2.4
117.07019	2.7
119.08595	16.1
120.19391	1.5
121.06518	4.5
121.10138	7.8
123.08080	3.2
123.11720	1.8
125.09610	3.9
127.03949	1.5
129.07010	11.8
131.04932	1.7
131.08577	12.3
132.73090	1.5
133.06500	4.7
133.10141	8.9
135.11661	1.6
136.61034	1.6
137.06075	1.5
137.09636	3.0
141.64488	1.3
142.07741	1.4
145.06503	4.3
145.10129	2.3
147.08078	4.9
147.11707	11.4
149.09563	6.8
157.10130	11.4
163.11140	2.1
165.12796	3.7
171.08098	1.8
175.11220	12.5
193.12256	32.8
211.13327	19.0
249.15047	2.0
255.13843	2.6
267.15933	100.0
273.14813	3.8
283.15424	1.7
285.16974	22.0
349.21622	4.2
365.23416	2.1
367.22607	10.7
380.19843	2.2
385.23831	10.8
403.24799	2.7
433.25870	8.7
441.26392	5.8
459.27463	55.7
477.28525	45.2
491.20654	2.5
562.17780	2.1
581.71997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
54.88531	1.6
55.01862	8.0
55.05513	31.8
57.03423	5.2
57.07077	4.8
59.05004	2.2
65.03937	3.2
66.68723	1.6
67.05508	55.7
67.69934	1.5
68.06335	1.9
69.03417	2.1
69.07072	16.7
69.54977	11.9
71.04995	4.9
76.48990	1.6
78.59871	1.6
79.05077	2.9
79.05501	43.5
81.03422	11.6
81.06596	3.1
81.07061	47.9
83.04991	11.5
83.08627	20.0
85.02917	3.6
85.06544	2.8
91.05486	33.0
93.07041	46.7
95.04978	13.1
95.08613	35.9
97.06532	6.3
97.10172	24.0
98.20849	3.3
99.08178	2.0
103.05472	2.1
105.07040	29.7
106.26911	1.7
107.04947	7.1
107.08595	30.5
109.06525	6.0
109.10166	21.7
111.04462	10.2
111.08078	6.7
117.07023	16.8
119.08594	23.1
121.06478	3.4
121.10166	18.7
123.08043	4.8
123.11734	6.6
125.09636	20.5
129.07021	9.2
129.65042	1.7
131.08568	30.8
133.10144	18.3
135.08057	4.4
135.11694	18.4
143.08556	10.5
145.10136	25.6
147.08051	3.1
147.11707	13.9
149.09644	5.7
149.13275	6.6
153.09105	2.1
153.12747	4.6
155.08603	6.7
157.10141	7.7
159.08075	2.4
159.11700	14.8
161.13254	6.0
163.11183	16.9
163.14813	1.8
164.75482	1.9
169.10149	5.9
171.10347	2.2
171.11719	7.6
173.09668	4.9
173.13242	11.2
175.14803	2.5
177.12819	2.7
181.10146	3.8
181.12260	7.2
183.11691	5.2
185.13298	6.1
187.11349	2.7
187.14806	6.6
189.11229	11.4
191.10718	4.1
193.12225	2.8
195.11757	2.2
197.13318	4.8
199.14865	5.1
209.11763	4.6
211.13251	2.5
213.16515	2.1
227.12770	38.7
243.20996	3.8
245.13861	2.0
254.16885	1.9
259.20590	3.1
261.22092	10.8
267.15976	3.2
277.21707	2.9
279.23019	1.8
283.15393	17.2
283.20691	2.0
297.22015	2.8
299.23630	12.4
301.21616	4.2
315.23154	3.5
317.24844	8.5
333.24252	4.4
335.25851	12.6
352.13461	2.1
415.29950	2.9
423.32352	2.7
433.31064	7.3
451.32098	13.5
469.33078	11.8
487.33832	9.9
515.37518	3.8
525.35779	20.3
543.36823	100.0
561.37848	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01873	6.3
55.05270	3.0
55.05516	34.0
57.03447	7.7
57.07073	3.1
65.03957	2.9
67.05512	58.1
69.03431	2.7
69.06780	1.6
69.07077	17.3
71.04986	2.5
71.37803	3.6
73.65028	1.5
75.17600	1.5
79.05501	42.0
80.76772	1.4
81.03414	7.4
81.07064	57.1
83.04993	12.4
83.08617	18.6
85.06546	2.3
86.47969	1.5
91.04921	1.6
91.05488	36.5
93.07047	46.0
95.04972	10.9
95.08614	42.6
97.02901	1.8
97.06533	5.6
97.10171	19.6
105.07037	32.7
107.04979	3.1
107.08601	32.2
109.06531	5.0
109.10162	19.3
111.04454	5.4
111.08092	5.1
115.05488	2.1
117.07034	16.5
119.08578	24.5
120.90384	1.6
121.06503	2.3
121.10150	19.3
123.08079	3.1
123.11715	6.7
125.09649	16.3
128.06248	2.1
129.07018	10.0
131.08575	28.4
133.10132	19.3
135.08154	4.1
135.11697	18.1
137.13210	2.0
143.08571	9.6
145.06520	1.8
145.10147	20.6
147.08052	2.2
147.11707	13.5
149.09601	3.9
149.13290	5.8
153.09087	3.3
153.12767	4.6
155.08557	4.0
157.10144	10.2
159.08015	2.1
159.11700	14.3
161.13271	6.6
163.11174	11.9
163.14845	2.7
169.10143	4.6
171.11650	7.9
173.09647	2.6
173.13300	11.7
175.11188	2.9
175.14859	2.3
181.10117	3.9
181.12276	6.8
183.11734	3.7
185.13280	6.6
187.11165	2.8
187.14806	4.3
189.11232	8.1
191.10704	3.8
193.12234	4.7
195.11690	2.6
197.13315	4.4
199.14880	2.9
209.11743	4.5
209.13405	2.4
211.14941	2.7
213.12833	1.6
223.14934	2.7
227.12755	22.4
228.61388	1.8
241.19502	2.4
243.21169	3.1
245.13843	2.5
259.20657	5.3
261.22174	10.1
267.15988	2.9
277.21603	3.3
281.22754	1.9
283.15469	12.1
283.20682	2.1
299.23740	10.8
301.21606	3.2
315.23038	2.1
317.24866	9.2
327.22867	1.8
327.76910	1.7
333.24246	4.3
335.25830	12.5
373.27414	2.4
423.32687	2.5
433.31281	5.7
441.33667	1.8
451.32245	10.5
469.33203	10.2
487.34259	9.2
515.37305	6.1
517.35437	3.7
525.35791	17.6
543.36847	100.0
561.37842	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67742	1.3
53.03945	5.0
55.01883	8.9
55.05274	2.8
55.05518	39.5
57.03445	8.2
57.07058	5.7
59.04991	2.0
65.03925	3.6
67.05512	64.7
69.03426	3.3
69.07083	16.0
70.76287	2.5
70.76620	2.7
71.04991	4.5
71.08627	2.0
79.05502	48.3
81.03420	11.5
81.06588	3.4
81.07063	60.9
83.04989	13.4
83.08633	21.7
85.02905	2.3
85.06539	3.3
85.10175	2.1
91.05493	38.0
93.07054	43.5
95.04974	11.4
95.08614	35.9
97.02875	1.9
97.06534	6.1
97.10178	26.9
105.07042	30.3
107.04951	4.2
107.08606	34.4
109.06530	5.8
109.10165	23.5
111.04468	9.6
111.08090	6.5
117.07043	18.5
119.08598	27.3
121.06522	2.7
121.10159	20.1
123.08107	4.3
123.11709	8.3
125.06006	2.4
125.09642	23.0
128.06233	2.3
129.07013	9.6
131.08589	29.7
133.10138	16.9
135.08087	4.5
135.11699	18.7
137.09657	2.0
141.06998	2.7
142.07794	2.2
143.08589	10.1
145.10133	23.5
147.11678	11.6
149.09618	4.1
149.12033	1.3
149.13268	7.0
153.12775	7.3
155.08546	6.1
157.10130	8.8
159.08057	1.8
159.11703	15.9
161.13266	8.7
163.11218	12.1
163.14865	2.7
167.08643	2.0
169.10164	5.2
171.08113	1.7
171.10201	3.3
171.11697	9.6
173.11885	2.5
173.13254	11.9
175.11143	2.2
175.14839	2.5
181.10115	1.9
181.12279	6.5
183.11736	4.7
185.09666	2.2
185.13298	7.3
187.14867	5.6
189.11247	10.7
189.16466	1.8
191.10661	3.5
193.12280	5.2
195.11705	2.9
197.13298	3.2
199.14815	3.5
207.11768	1.7
209.11586	2.3
209.13377	2.7
209.15295	1.9
211.13168	3.1
211.14966	2.5
213.16524	2.2
225.16554	1.7
227.12798	28.8
227.14955	2.3
235.79066	1.6
241.19554	2.0
243.21049	2.1
245.13876	2.7
259.20663	5.6
261.22153	10.0
267.16000	1.9
273.22235	1.7
277.21814	3.6
279.23209	3.6
283.15454	16.7
283.20618	2.4
297.22302	2.2
299.23788	15.3
301.21768	3.9
317.25015	9.4
325.21289	1.9
333.24286	3.5
335.25925	10.8
357.24533	1.8
403.25085	1.8
415.29987	3.3
433.31088	6.8
451.31848	9.0
469.33298	12.2
487.34149	10.2
515.37158	4.8
517.35834	1.9
525.35736	22.8
543.36890	100.0
561.37903	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01870	6.7
55.05267	3.1
55.05515	36.9
55.25311	1.8
57.03427	6.7
57.07062	3.2
59.05007	2.8
62.26082	1.9
65.03920	2.6
67.05507	56.0
69.03439	2.2
69.07082	16.7
70.96187	4.3
71.04998	4.9
72.12031	1.7
79.05072	3.4
79.05502	41.9
81.03443	9.8
81.07063	60.8
83.04987	11.6
83.08630	20.1
85.06552	2.3
91.05483	36.3
93.07048	45.7
95.04973	11.0
95.08608	35.6
97.06531	7.2
97.10162	27.8
105.07038	33.8
107.04931	5.7
107.08604	32.4
109.06548	3.8
109.10159	20.2
111.04447	7.3
111.08098	5.0
115.05470	2.4
117.07021	19.7
119.08586	22.3
121.06512	3.6
121.10175	18.8
123.08088	4.8
123.11676	9.6
125.09637	21.5
128.06194	2.1
129.07005	8.2
131.08562	30.2
133.10146	19.6
135.08093	5.0
135.11703	16.7
137.09583	2.5
141.07016	2.6
143.08548	10.1
145.06459	2.3
145.10132	23.6
147.11693	12.4
149.09572	3.4
149.13275	7.6
153.09169	1.8
153.12759	7.7
155.08588	5.2
157.10159	8.7
159.11703	16.1
161.13281	7.1
163.11194	12.5
163.14792	2.6
167.08514	2.3
169.10178	6.8
171.11708	8.1
173.09695	2.6
173.13283	11.0
175.14854	2.9
181.10025	2.2
181.12263	3.6
183.11723	5.7
185.13229	6.7
187.14836	5.2
189.11281	11.6
189.12688	2.3
191.10716	4.2
193.12361	2.7
195.11823	2.2
197.13319	3.3
199.11137	2.4
199.14870	4.1
201.16344	3.1
205.15738	2.5
209.13327	3.9
213.16335	3.2
227.12775	28.7
243.21040	3.6
245.13828	2.3
259.20615	5.3
261.22253	10.7
267.15872	3.3
273.22101	2.7
283.15356	15.9
299.23608	15.2
301.21646	2.5
317.24905	9.1
333.24173	4.6
335.25980	8.9
357.24075	2.8
415.29501	2.3
433.31219	9.0
451.32114	11.4
469.33331	11.9
487.34183	10.0
507.34851	3.3
515.37335	4.7
525.35626	20.1
543.36877	100.0
561.37885	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
54.42630	1.2
55.01863	4.3
55.05515	19.9
57.03439	8.7
57.07069	4.0
65.03940	3.2
67.05510	54.0
69.07076	12.0
70.95810	1.8
70.96131	1.8
71.05013	2.4
79.05496	44.1
81.03423	4.4
81.07059	61.5
83.04983	4.5
83.08629	13.8
85.02888	1.5
85.06557	1.7
91.05489	24.9
93.07047	64.6
95.04994	6.6
95.08612	68.2
97.02905	3.8
97.06549	3.3
97.10176	5.2
99.04459	3.1
99.08105	1.8
103.05463	2.1
105.07048	17.1
107.04928	8.1
107.08601	45.1
109.06534	4.4
109.10167	15.7
111.04426	2.3
113.05901	1.5
117.07011	14.4
119.08600	16.3
121.06525	6.1
121.10145	24.1
123.08057	1.9
123.11717	4.7
125.06028	2.1
129.07039	2.1
130.07843	2.6
131.08571	10.9
133.10150	8.7
135.08043	2.4
135.11702	53.2
137.13295	2.2
139.11183	1.8
143.08629	1.6
145.10133	34.0
147.11713	5.7
149.13266	8.0
159.11728	6.1
161.13281	3.3
163.11185	56.3
163.14883	2.2
171.11685	1.6
173.13319	4.4
175.14825	1.8
181.12238	11.5
187.14847	3.3
209.11732	3.2
213.16254	1.6
227.12798	100.0
243.21176	5.8
261.22131	19.9
279.23285	1.5
283.15408	55.0
293.97354	1.3
296.57504	1.3
317.24860	10.0
335.25815	65.5
469.33289	1.9
525.36066	1.8
543.36865	52.9
561.39661	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
54.59832	1.4
55.01870	3.5
55.05516	21.8
57.03450	9.9
57.07062	3.0
65.03937	4.4
67.05511	61.6
68.27351	1.6
69.03427	2.4
69.07078	15.4
71.04992	3.5
71.08607	2.4
79.05503	56.5
81.03422	3.5
81.07063	65.3
83.04980	4.7
83.08620	14.3
85.06562	2.1
91.05486	25.0
93.07050	68.7
93.07645	3.3
95.04980	9.6
95.08614	67.7
97.02902	4.1
97.06542	6.7
97.10184	4.8
99.04475	2.3
99.08066	2.2
105.04510	2.3
105.07038	23.3
107.04946	9.7
107.08604	46.1
109.06554	2.4
109.10155	20.8
111.04488	1.8
111.08108	2.2
117.07021	15.5
119.08592	22.6
121.06506	5.2
121.10151	28.2
121.84183	1.9
123.08095	2.0
123.11724	6.7
125.06011	2.0
126.77309	1.6
130.07771	1.8
131.08585	13.0
133.10152	11.0
135.08099	1.9
135.11710	50.6
137.09637	2.2
137.13284	2.7
143.08589	2.5
145.10130	32.5
145.11171	2.8
147.11722	6.1
149.13283	6.8
153.12729	2.7
157.10101	2.0
159.11736	5.7
160.16809	1.5
161.13261	5.2
163.11191	49.3
163.14854	4.4
171.11673	2.1
173.13261	5.8
175.14862	3.1
181.12250	10.3
187.14821	3.5
209.11668	2.3
227.12799	100.0
229.45825	2.0
243.21092	7.8
261.22162	22.0
283.15424	37.8
299.23798	1.8
315.92065	2.4
317.24805	10.7
335.25821	93.6
511.59500	1.6
543.36816	64.8
561.39453	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	560.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05511	5.5
57.07072	0.6
59.04992	0.6
67.04234	0.6
67.05508	3.6
69.03420	1.6
69.07072	5.5
69.24131	5.3
70.06606	3.3
71.04985	1.8
79.05503	4.0
79.86407	0.5
81.03426	0.8
81.07072	9.9
82.06580	4.1
83.04989	0.8
83.08646	3.8
85.02898	1.5
85.06543	1.2
91.05499	2.8
93.07059	7.8
94.06555	1.8
95.04977	0.8
95.08620	14.0
97.02872	0.8
97.10181	4.0
98.06068	17.7
98.09723	0.5
99.08081	1.6
100.07656	0.5
105.07052	3.5
107.08611	17.6
109.02935	0.6
109.10175	4.7
111.08100	1.5
116.07101	7.2
121.10162	31.1
123.08100	0.8
126.05553	1.0
127.03921	0.7
128.07060	0.6
135.11705	6.9
137.13266	3.9
144.06578	100.0
147.28545	0.5
149.13322	1.8
158.08167	2.6
177.16405	18.0
184.06157	0.6
195.17442	0.9
202.07404	0.6
204.08704	6.4
246.09798	1.5
312.10904	1.2
330.11792	3.1
348.12949	25.9
366.14005	30.0
462.85339	0.6
560.30780	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	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01859	5.1
55.05513	13.1
57.03444	13.8
67.05510	15.1
68.99792	2.2
69.03423	4.9
69.07061	4.3
69.73438	9.8
71.04972	3.4
73.57958	1.8
75.44881	2.1
79.05500	19.7
81.03426	49.6
81.07064	16.2
83.01351	3.4
83.04978	8.7
83.08624	15.1
85.02889	4.0
86.48822	2.0
91.05499	17.1
93.07050	16.5
95.04989	15.9
95.08615	12.3
97.06537	5.7
97.10163	8.1
99.12542	1.8
105.07044	15.0
107.04981	10.1
107.08607	12.5
108.42027	2.0
109.06550	2.5
109.10148	3.9
111.08030	5.4
115.05431	3.0
117.07014	6.8
119.08583	13.5
121.02879	5.6
121.06482	5.8
121.10146	8.1
123.08086	5.1
125.09622	5.0
129.06973	6.6
130.07327	3.0
131.08542	6.6
133.10126	6.3
135.08083	2.9
135.11699	6.4
143.08586	3.3
145.10179	10.1
147.08047	3.8
147.11713	5.6
149.09634	4.3
153.07010	3.0
157.06480	3.5
157.10143	5.7
161.05966	6.6
163.11159	11.7
167.08607	3.3
168.00537	3.3
171.07993	3.5
173.09564	3.3
175.07617	2.8
175.11130	4.8
176.07762	2.5
181.06477	3.3
182.06764	2.0
185.05840	1.9
189.09079	3.9
193.12216	12.6
199.07527	6.4
200.07903	2.3
203.07021	2.8
204.07262	2.7
213.09096	2.4
217.08583	5.8
218.09018	4.9
227.12733	3.0
247.80989	2.1
259.09735	2.1
260.10172	2.4
267.15930	38.3
269.15433	2.8
283.15433	27.4
285.03870	2.7
286.04709	24.9
287.05069	21.1
289.14508	3.1
298.04630	4.1
299.05212	4.8
301.03912	3.7
301.07120	41.7
302.07425	51.9
311.05435	7.0
312.06033	12.4
313.06839	9.0
314.07471	6.8
327.08603	8.1
328.08966	10.2
355.07977	7.4
355.22797	2.4
356.08405	9.9
365.21155	3.9
365.80746	2.5
383.22198	18.1
401.23251	7.8
457.25867	26.9
474.12759	3.1
475.26950	100.0
486.12650	3.9
493.28006	8.5
518.15454	4.9
542.15192	4.9
560.16425	59.2
560.36578	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	10.0
57.03424	11.4
57.07060	13.8
67.05516	66.5
69.62450	40.5
75.99150	13.3
79.05479	31.0
79.85569	10.1
81.07064	67.6
82.63724	9.2
87.04465	10.4
91.05474	22.7
93.07032	40.4
95.08606	40.2
105.07035	19.2
107.08607	24.2
109.10143	34.9
119.08562	12.0
121.10139	37.0
123.11693	23.1
131.08591	23.2
133.10141	15.2
135.11671	23.7
145.10107	13.6
147.11656	15.6
149.13187	19.9
159.11707	11.9
161.13310	10.7
163.14803	14.3
173.13287	14.8
187.14880	16.6
243.21005	38.6
261.22147	100.0
335.25967	16.2
353.26910	60.6
361.08102	11.0
542.36670	10.5
560.36493	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	560.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
54.17167	0.5
55.01877	2.1
55.05507	1.2
57.03440	2.0
59.05003	1.0
61.02929	1.9
67.05515	1.4
68.99775	0.6
69.03431	7.5
69.07069	1.4
70.04083	100.0
70.06598	0.6
71.04999	1.7
71.10213	1.3
73.02916	2.7
79.05502	1.4
81.03426	8.4
81.07076	2.1
83.01302	0.8
83.05003	0.6
84.08162	0.9
85.02913	22.3
86.19913	0.5
87.00830	8.4
87.04470	1.1
91.03943	0.7
93.07072	1.3
95.08636	1.7
97.02898	10.7
97.06534	3.1
99.04468	4.4
99.08087	1.1
101.06023	1.2
103.03967	1.3
105.01874	9.0
105.07056	1.5
107.08608	0.8
109.02892	8.1
109.06529	0.7
109.10185	1.5
115.03966	0.6
115.07594	1.8
117.01865	1.4
117.07041	0.6
119.08601	1.4
121.10147	0.9
127.03931	20.5
129.01904	0.8
129.23804	0.5
131.08589	0.6
133.08606	1.1
133.10178	1.0
135.11803	0.8
145.04973	11.9
145.10184	0.8
147.02939	1.1
147.11685	0.6
159.02901	5.9
189.04007	1.8
199.09767	0.8
213.04044	1.2
216.62593	0.6
223.09698	1.0
231.05020	4.7
249.06161	1.4
249.37402	0.5
271.05969	0.7
272.06357	0.9
300.05948	1.1
301.07056	0.9
302.07367	1.5
318.09308	5.2
321.86850	0.6
397.13062	0.8
398.13361	2.5
406.24469	0.6
407.61240	0.6
453.81830	0.6
560.18048	4.5
560.31189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30719	0.2
53.03939	0.5
55.01876	0.4
55.05516	4.8
57.03437	0.2
57.07080	18.0
61.02935	0.3
64.63258	0.1
65.03941	0.4
67.65343	0.1
68.99809	0.2
69.03448	1.2
69.61801	0.2
70.11742	0.7
71.04990	0.2
73.02923	0.4
73.06562	0.9
74.21732	0.2
76.30194	0.2
81.03436	1.3
81.07023	0.2
85.02431	0.2
85.02912	3.3
87.00831	1.5
91.02483	0.2
93.03378	0.2
97.02905	1.4
99.04459	0.6
104.64362	0.2
105.01876	0.7
109.02875	1.2
121.02886	2.0
121.03802	0.3
127.03939	1.8
129.01865	0.2
129.06989	0.4
130.08693	0.2
131.08572	0.6
143.04958	0.2
145.04967	0.8
149.02353	100.0
150.02675	0.4
157.06538	0.2
159.02884	0.8
161.05992	1.0
164.07072	0.2
167.03395	0.7
175.07571	4.6
185.05917	0.2
190.04968	0.2
203.07040	6.2
205.08615	8.5
221.08142	1.5
223.09657	0.7
237.12964	0.2
277.14359	41.7
278.14728	0.2
295.12082	0.2
295.15417	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24020	2.0
53.03936	3.0
55.01865	5.7
55.05515	36.5
57.03433	5.9
57.07065	2.6
65.03928	2.8
67.05509	42.9
69.03427	3.3
69.07073	14.4
71.04994	2.6
79.05499	36.2
81.03416	7.2
81.07062	35.5
83.04971	7.4
83.08634	18.5
84.30603	1.8
85.06570	2.1
91.05482	31.9
93.07044	30.7
94.10519	1.8
95.04970	8.0
95.08615	20.8
97.06522	5.6
97.10184	23.3
105.07043	30.9
107.04965	3.8
107.08604	20.6
109.06554	3.4
109.10165	12.1
111.04513	2.4
111.08076	5.0
112.51035	2.0
115.05434	2.7
117.07018	20.0
119.08581	26.8
121.06499	2.3
121.10162	12.5
123.08087	6.2
123.11727	3.5
125.09638	19.3
128.06216	4.7
129.07034	15.3
130.07845	2.3
131.08582	26.6
132.20467	1.9
133.10132	19.0
133.51239	2.0
135.08081	3.8
135.11697	9.0
141.06953	4.4
142.07794	3.6
143.08568	16.9
145.06532	2.0
145.10149	28.1
147.11717	14.7
149.09604	2.9
149.13295	4.8
153.12737	4.4
155.08548	5.6
156.09370	2.3
157.10127	15.4
159.08080	3.0
159.11693	16.9
161.09634	2.0
161.13280	4.9
163.11197	7.0
167.08647	3.1
169.10149	8.6
171.08101	3.1
171.11679	12.7
173.09634	3.4
173.13307	8.5
175.11217	2.6
175.14920	4.0
177.12738	3.1
181.10167	4.7
181.12157	2.5
183.11737	7.9
185.13261	12.5
187.14790	2.6
189.11221	13.3
193.12244	2.6
195.11668	4.9
197.13313	6.1
199.11079	3.4
199.14818	5.5
203.14264	2.7
209.13344	4.3
213.16428	2.2
213.72594	1.8
215.14288	2.1
221.13371	1.9
223.14903	1.7
227.12657	14.8
241.19522	6.9
245.13855	3.0
257.18881	3.0
259.20605	14.0
279.21249	2.1
283.15500	10.9
287.23419	2.2
291.19376	2.2
297.22049	13.0
313.21545	2.9
315.23273	12.4
333.24374	9.0
421.31097	3.0
431.29596	5.9
449.30392	10.1
467.31772	13.6
485.32697	8.8
505.33411	2.7
513.35974	5.4
523.34125	12.2
531.36963	3.2
541.35303	100.0
549.12518	2.2
559.36444	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.6
53.03954	11.1
55.05521	28.8
57.03447	9.6
57.07080	4.1
60.52233	1.7
65.03950	5.4
67.05512	89.7
68.71854	1.7
69.07079	19.1
70.10324	7.2
71.05013	2.8
71.08626	2.1
73.06538	2.5
79.05500	90.5
79.42989	1.5
81.03420	7.1
81.07067	77.5
83.04991	10.3
83.08624	9.5
85.06545	2.5
91.05492	69.3
93.07053	100.0
95.04985	20.3
95.08614	54.4
97.06541	7.0
97.10185	6.6
99.08082	3.1
103.05544	2.3
104.11741	1.5
105.04516	2.7
105.07048	50.6
105.07768	2.5
107.04964	5.6
107.08607	31.2
109.06541	5.0
109.10162	16.2
111.08072	2.7
115.05460	2.3
117.07057	12.7
118.48484	1.6
119.08592	32.7
119.75612	1.5
121.06512	4.1
121.10155	19.5
123.08086	5.8
123.11747	2.9
129.06993	16.8
131.08566	11.4
133.10144	16.2
135.11740	10.9
141.07036	2.8
143.08562	9.7
145.10129	18.7
147.08052	2.5
147.11703	42.1
149.13301	3.6
157.10120	2.9
159.11732	6.6
161.09682	4.1
161.13258	14.0
163.14737	2.3
171.11728	24.6
173.13293	6.1
183.11705	1.8
187.14928	2.8
189.12735	9.8
195.11903	1.7
207.13818	27.3
243.21190	3.7
261.22260	10.6
279.15991	3.5
281.17487	49.6
317.24765	3.2
335.25830	58.1
393.88956	1.7
449.34396	2.0
541.38959	89.4
559.39886	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	559.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01862	5.6
55.05515	21.7
57.03434	7.3
57.07092	10.4
61.02928	4.7
65.03941	2.2
65.25878	2.1
67.05513	31.1
68.99805	3.3
69.03422	24.2
69.07077	50.4
70.06590	2.7
70.22552	3.9
70.22942	4.0
71.04983	2.7
71.08614	5.7
72.26287	1.8
73.02911	5.6
79.05497	14.3
81.03426	19.7
81.07064	77.0
81.90221	1.8
83.05006	2.6
83.08629	35.1
84.08918	2.3
85.02909	53.7
85.06561	11.5
85.10184	2.2
87.00829	20.2
89.06022	5.3
91.05476	8.6
93.07050	17.6
95.04958	3.0
95.08611	100.0
97.02904	23.5
97.06525	6.1
97.10178	21.1
98.20895	2.8
99.04454	9.5
99.08090	8.7
105.01863	19.5
105.07056	9.6
107.08621	15.9
109.02888	18.0
109.06516	3.6
109.10157	57.8
111.04398	2.7
111.08124	2.4
111.11741	12.9
116.17019	2.3
117.01870	2.6
119.08586	7.6
121.10137	17.6
123.08067	3.6
123.11729	29.8
125.09626	3.2
125.13284	7.4
127.03916	31.5
127.11189	2.5
129.05492	2.4
129.12814	2.4
131.08572	4.1
133.08604	2.7
133.10138	5.7
135.08032	2.5
135.11710	11.5
137.13228	12.3
139.14796	3.9
143.14343	4.6
145.04927	10.9
145.09993	2.9
147.11676	7.0
149.13258	23.5
151.14822	22.5
157.10175	3.2
157.15904	3.3
159.02887	5.6
161.09555	3.6
163.14854	13.2
165.16412	10.1
169.15962	2.4
173.13165	2.8
177.16359	5.6
179.17944	5.7
183.17407	4.6
205.14330	2.0
205.19589	3.5
211.20410	2.4
219.21149	3.1
231.04990	5.6
249.25835	4.0
267.26822	9.0
275.27298	16.5
293.28424	29.9
294.21451	3.9
301.07050	4.0
311.29465	38.4
313.07059	8.3
336.52820	2.1
362.30029	2.9
380.30914	3.8
383.29651	2.9
388.04868	2.1
397.12708	3.9
401.30405	3.5
523.32904	3.0
559.34747	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	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.8
53.03958	4.2
55.01860	4.4
55.05273	2.1
55.05513	25.3
57.03426	3.6
57.07078	3.1
65.03936	3.5
65.50649	1.9
67.05189	3.0
67.05515	42.0
69.07080	14.2
71.05003	3.7
71.08629	3.0
79.05068	3.1
79.05495	35.7
81.03441	3.6
81.07066	47.5
83.04966	4.2
83.08631	14.6
85.06546	2.7
89.06030	3.2
91.05483	30.3
93.07052	37.1
95.04959	5.2
95.08609	28.8
97.02847	2.8
97.06555	4.2
97.10184	15.4
98.19141	1.8
99.00819	3.7
99.08103	2.4
105.07048	28.3
107.04954	4.7
107.08604	26.2
109.02895	5.4
109.06547	2.0
109.10184	12.8
111.08127	4.4
117.07027	10.0
119.08593	23.0
121.06543	3.3
121.10154	18.1
123.04483	1.9
123.11753	5.4
125.09645	10.1
128.06302	3.3
129.07028	5.7
131.08580	19.6
133.06517	2.2
133.08595	3.4
133.10146	31.6
135.08130	4.1
135.11690	13.0
137.09587	2.6
142.07793	2.1
143.08583	8.8
145.10175	11.6
147.11641	11.5
149.09570	2.4
149.13275	5.9
151.11211	5.1
153.09126	2.4
153.12791	2.8
155.08577	4.0
157.10152	5.2
159.11700	10.6
161.09579	9.1
161.13287	3.3
163.11217	3.6
163.14873	3.9
165.09174	2.1
167.08472	2.1
169.10170	6.7
171.08101	1.9
171.10426	1.8
171.11772	7.2
173.09665	2.3
173.13260	11.8
179.10756	4.9
181.10185	2.5
183.11723	3.7
185.09694	1.9
185.13313	5.1
187.11285	2.8
187.14850	2.6
189.09135	4.0
189.11224	6.2
189.12834	1.8
195.11624	2.3
197.13326	2.3
199.14825	4.2
207.10220	2.2
209.13266	2.2
225.11284	6.1
227.12865	6.2
237.16595	2.2
243.21147	3.5
259.20651	4.2
261.22260	7.6
273.21988	2.1
275.20203	2.1
277.21582	3.1
278.09164	1.7
281.13947	6.8
287.23856	3.9
291.19604	5.5
297.17081	2.0
297.22284	2.9
313.21509	2.2
315.23297	13.9
333.24210	3.6
421.31039	7.2
427.25613	2.0
439.32239	5.7
449.30756	8.9
457.32736	2.8
467.31699	16.0
485.32571	11.1
513.35657	17.1
515.37592	2.3
523.33990	3.9
531.36780	15.8
541.35291	50.4
556.45123	2.3
559.36346	100.0
559.44910	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	559.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
60.04524	1.7
67.05508	0.7
69.03442	0.6
71.05010	0.6
71.51901	0.4
71.52938	0.4
73.21519	0.4
79.05524	0.7
79.68281	0.3
81.03436	0.4
81.07076	0.8
83.05043	0.4
84.08152	0.5
84.46623	0.4
85.02904	0.6
86.06066	0.5
86.09709	7.6
93.07022	0.5
95.04998	0.5
95.08623	0.9
97.02907	0.9
97.06585	0.6
99.04466	0.5
99.35964	0.3
100.83908	0.4
105.07079	0.5
109.06570	0.5
113.38815	0.4
119.08609	0.6
121.06455	0.4
121.10175	0.9
125.05776	3.9
127.03931	0.6
128.07169	0.5
137.06015	1.3
143.11852	0.4
143.61967	0.4
145.02890	0.5
147.04449	0.6
149.09673	0.6
167.07074	0.5
168.07590	0.4
173.12993	1.2
177.05536	0.4
201.08926	0.8
207.31120	0.4
209.11559	0.8
211.09422	0.6
245.06456	0.6
268.16577	0.5
286.17712	0.5
293.17273	31.0
296.15933	1.2
311.18332	15.1
314.17105	0.9
339.17792	1.8
343.86377	0.4
350.15720	0.4
353.18924	0.7
371.19174	3.1
383.28583	0.4
455.22345	2.3
473.18481	0.3
473.23642	14.4
515.24725	47.3
559.23688	100.0
560.24054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56958	0.3
53.03924	0.3
55.01844	0.4
55.05473	0.8
59.04991	0.5
59.16200	0.3
67.05517	1.6
69.07027	1.2
71.52444	0.5
79.05446	1.3
81.03375	0.8
81.07020	1.2
83.08563	1.0
84.08133	0.3
89.05984	0.5
91.05484	1.7
93.07015	0.9
95.04948	0.7
95.08590	0.8
97.06494	0.6
97.10125	0.7
103.24064	0.3
105.07048	1.4
107.04906	1.1
107.08543	1.1
109.06487	0.5
109.10122	0.5
115.05429	0.6
117.06962	0.5
118.04129	1.3
119.04912	0.5
119.08546	1.0
121.02845	1.2
121.10048	0.6
123.04460	0.4
125.09635	0.4
127.03884	0.3
128.06195	0.9
129.06973	1.0
131.08537	0.5
133.06468	0.5
133.10066	0.5
135.11647	0.4
137.02295	0.3
141.06990	0.5
143.08522	1.2
145.06427	0.4
145.10121	0.6
147.04376	0.7
147.11630	0.5
149.09550	0.3
152.06163	0.6
153.06958	0.4
157.06514	1.5
157.10133	0.6
158.07321	0.6
159.08005	0.3
159.11693	0.4
160.05197	1.1
161.05978	2.1
161.09549	0.4
162.03046	0.5
165.06993	0.4
167.08548	1.0
168.05650	0.6
169.06444	0.7
171.08006	0.8
173.05928	1.0
173.09666	0.4
173.13211	0.3
175.03842	0.3
175.07524	0.8
179.64722	0.3
181.06413	0.4
184.05173	0.4
185.05986	2.9
185.09496	0.3
186.06717	1.2
187.07509	0.5
189.09125	1.1
195.04454	0.3
195.08055	0.8
196.05252	0.5
197.05945	0.7
198.06808	0.4
199.07487	1.0
200.04623	0.3
201.09100	3.0
203.07045	0.4
212.04550	0.4
213.05591	1.7
213.09090	1.4
214.06238	7.7
217.08669	0.6
219.10057	0.6
223.07564	0.4
224.04660	0.6
226.06186	0.8
230.05617	0.4
231.10159	0.5
241.05020	1.0
241.08606	2.0
242.05815	0.9
246.05174	1.0
252.04295	0.6
253.04977	0.6
255.06715	0.3
259.09723	0.6
267.15836	0.4
269.04364	2.4
270.05258	6.8
271.05997	1.0
275.20026	0.7
281.04327	0.4
283.02536	0.4
283.06003	0.7
285.07538	0.7
286.04718	2.4
297.04031	2.1
298.04730	39.8
299.05521	2.4
300.06201	0.9
301.07074	6.0
310.04645	1.1
311.05399	1.0
312.06409	0.5
313.07068	100.0
314.07303	1.1
325.07080	3.1
327.08664	0.5
337.06995	0.7
338.33167	0.3
341.06598	8.3
343.08133	1.8
353.06650	0.4
475.10745	0.4
483.10394	0.4
499.13959	2.6
513.15540	1.3
515.13831	0.5
523.13776	0.5
541.15027	11.6
541.34906	1.6
559.16016	13.9
559.36127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
55.05509	0.3
57.03433	0.2
67.05489	0.4
68.57335	0.2
68.99789	0.4
69.07052	0.3
70.06535	0.2
79.05482	0.6
81.03403	0.4
81.07047	0.5
83.08627	0.3
85.02899	0.2
89.06010	0.2
91.05471	0.5
93.07027	0.4
95.08598	0.4
97.10153	0.2
105.06996	0.5
107.08572	0.3
109.10143	0.3
118.04192	0.6
119.04932	0.3
119.08584	0.5
121.02881	0.2
123.04480	0.2
128.06209	0.4
129.06999	0.3
131.08594	0.3
133.10152	0.2
135.07915	0.2
140.01089	0.5
142.07793	0.2
145.63191	0.2
152.75073	0.2
156.05713	0.3
157.10117	0.2
159.07990	0.2
160.05235	1.0
161.06009	1.3
167.08575	0.2
168.00546	3.8
169.01311	0.5
173.05983	0.9
174.06778	0.5
184.05232	0.6
185.06000	0.3
185.09596	0.4
186.01643	1.6
187.03976	0.2
189.05432	0.3
189.09140	0.8
195.08037	0.3
201.05428	0.2
202.06247	0.5
212.04739	0.8
213.05466	0.2
213.09065	0.4
229.05032	0.4
230.05753	1.7
231.10175	0.3
233.08421	0.2
240.04195	0.9
241.04993	0.6
255.06488	0.8
257.04395	0.4
258.05289	2.0
259.09653	2.2
268.03723	0.5
269.04443	0.5
285.03961	6.2
286.04733	60.1
287.05118	0.4
301.07077	100.0
302.07495	0.7
313.07004	0.4
319.53290	0.2
541.35376	0.4
559.36267	1.0
569.94836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11037	1.5
53.03945	4.8
55.05517	16.7
57.03442	17.5
57.07081	39.4
58.06613	9.2
59.04994	2.2
65.03921	1.8
67.05508	26.0
69.03428	2.0
69.07071	13.0
69.73315	8.3
70.06600	2.1
71.04980	5.3
71.08636	25.7
79.05493	20.7
79.64100	1.5
81.03424	49.0
81.07066	37.5
83.04974	12.1
83.08627	29.5
85.02909	17.7
85.06538	1.8
85.10186	14.3
86.21555	1.6
87.04469	2.3
88.07637	1.9
89.06027	4.4
91.05485	25.9
93.07057	17.6
95.04984	18.7
95.08610	25.0
97.02896	1.8
97.06495	2.5
97.10177	8.5
99.08086	2.3
102.65417	1.6
105.06525	1.5
105.07048	19.2
107.04956	4.2
107.08598	6.2
109.06535	3.7
109.10178	11.4
111.08096	10.7
113.05997	3.0
119.05046	1.8
119.08576	15.3
121.10146	6.9
123.08086	3.8
123.11711	6.4
126.51222	1.5
129.07025	7.8
131.08575	9.7
133.10153	9.4
135.09908	1.6
142.07813	2.2
145.10088	4.0
147.11711	13.2
149.09599	4.7
157.10144	12.4
175.11139	10.2
193.12251	34.9
211.13316	65.3
211.15311	3.9
239.23677	2.8
257.24466	2.9
267.15887	15.7
283.26297	2.5
284.26578	2.9
285.16986	70.6
313.27380	100.0
505.38828	13.1
523.39972	76.0
558.54010	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	559.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
55.05490	1.4
57.03401	1.7
57.07039	0.8
66.66356	0.6
67.05490	2.4
69.03385	0.5
69.07028	1.5
69.17907	0.5
69.18210	5.0
79.05468	2.3
81.03391	0.9
81.07066	2.6
83.04961	0.6
83.08584	1.5
85.02892	1.0
85.06504	0.6
89.06001	1.0
91.05479	2.6
93.07019	2.0
95.04942	0.8
95.08575	1.9
95.29961	0.5
97.06534	0.7
97.10158	0.6
103.05438	0.8
105.07033	2.9
107.04964	1.1
107.08589	1.2
109.06550	0.7
109.10144	0.9
115.05426	1.4
117.06975	0.8
118.04144	1.4
119.04914	0.5
119.08560	1.5
121.02866	5.3
121.10105	0.8
123.04424	1.0
125.09584	0.7
128.06209	3.1
129.07002	3.2
131.06935	0.5
131.08548	1.2
133.06508	0.6
133.10152	0.8
135.04443	0.6
141.06995	1.3
142.07709	0.5
143.04913	0.6
143.08566	4.0
145.06435	0.6
145.10088	1.2
146.63780	0.6
147.04428	0.5
147.08084	0.7
147.11617	0.8
152.06183	1.5
153.07033	4.2
155.08580	0.7
157.06470	2.3
157.10155	0.8
160.05168	2.0
161.05989	4.2
167.08554	1.5
168.00497	1.9
170.07326	0.8
171.08064	4.0
173.05954	1.3
174.06758	2.3
175.07587	4.7
181.06485	4.7
184.05180	0.7
185.06018	0.9
186.01566	1.3
187.07555	1.6
189.09148	4.3
193.12250	0.6
195.08049	2.1
197.05992	0.7
198.06726	1.7
199.07532	9.3
199.31877	0.5
201.05476	1.4
203.07014	6.8
203.10551	0.7
205.08565	1.1
213.05487	0.7
213.09148	2.7
214.06230	1.6
215.06946	0.9
216.07828	1.0
217.08618	9.3
219.02695	0.6
224.04579	0.6
227.07074	0.6
229.04906	1.0
230.05701	2.0
231.10158	2.2
241.08580	2.2
254.05730	0.6
255.06470	1.2
257.04501	1.0
258.05240	1.1
259.09662	7.1
267.06339	0.6
268.03751	0.6
270.05154	1.4
275.20065	1.1
279.03510	0.5
279.06631	0.7
283.05984	1.0
284.06790	0.8
285.03943	4.8
285.07181	0.8
286.04730	44.4
287.05203	0.6
291.06531	0.6
295.06055	0.6
298.04681	7.6
301.07074	100.0
307.05902	0.8
308.07022	0.6
309.07437	0.7
310.04745	1.3
311.05527	10.6
312.06281	11.0
313.03650	0.8
313.07016	14.5
322.04712	0.6
323.05518	2.2
324.06216	0.6
325.03464	0.7
325.07095	1.5
327.04990	3.3
327.08569	16.5
329.06717	2.9
339.08658	2.1
341.06549	4.8
351.08737	0.8
355.08133	19.6
415.08133	0.7
427.07941	1.0
431.07672	1.7
432.08426	0.9
441.09604	1.4
443.07611	1.3
444.08777	0.9
447.10910	0.9
455.07181	0.9
459.10587	2.5
469.09116	1.1
470.09650	0.6
473.12613	4.2
483.10699	1.2
485.12482	5.2
487.13843	1.6
498.13297	0.7
499.13965	1.6
501.11710	1.1
503.13385	1.7
512.10883	0.9
513.15344	1.6
517.14996	5.7
541.14850	4.4
541.35364	1.4
559.16016	57.4
559.35114	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	557.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
57.07082	100.0
58.04207	7.9
59.05006	35.5
67.05495	11.8
69.07065	9.5
71.05006	3.8
71.08638	73.8
71.12347	3.7
71.12675	3.8
72.05769	14.9
72.83905	2.9
72.86330	3.0
73.02895	3.9
73.06541	15.0
79.05499	6.3
81.07053	13.7
85.10188	60.7
87.04483	15.7
89.06038	33.0
90.01928	31.6
93.07033	4.6
95.08610	6.8
99.11736	9.9
101.06010	5.1
103.07585	10.0
107.08606	5.4
116.08287	4.3
117.09129	7.5
133.08601	15.2
133.10091	3.7
145.10255	3.5
147.10236	4.8
147.11642	3.4
152.15634	4.0
155.17960	8.0
177.11273	6.0
178.07137	4.0
183.17535	3.5
212.21306	4.6
213.22162	10.1
222.09726	9.0
222.16948	4.6
253.16374	3.7
257.24692	4.9
262.87006	3.3
276.71069	3.8
328.15924	11.6
406.35147	14.3
450.37613	4.6
467.37347	4.6
557.40308	9.7
557.53406	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	558.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01865	3.1
55.05513	24.7
57.03421	1.6
57.07084	2.6
59.04989	5.3
67.05515	18.8
69.03427	4.6
69.07070	65.7
70.06597	1.8
71.04974	2.6
71.52376	1.6
73.02911	1.8
73.06548	5.0
73.55271	1.5
79.05499	17.5
81.07060	40.7
83.04982	9.6
83.08617	4.9
85.02894	2.6
85.06527	4.9
87.04472	10.0
89.06036	69.2
91.05479	4.9
93.06490	2.2
93.07051	36.3
93.87173	1.3
95.08606	34.4
97.06532	23.8
97.10182	24.4
99.04446	6.7
99.08044	1.9
101.06013	2.0
103.07574	2.4
105.07020	2.5
107.08588	2.7
109.10152	2.5
111.11718	10.7
111.81416	1.5
112.07613	7.1
113.07237	1.6
117.09093	1.9
119.08605	3.9
121.10153	50.2
127.03902	1.4
131.07047	4.2
133.08604	52.9
139.11189	100.0
143.08626	1.9
153.12843	1.7
157.12251	59.8
175.09772	2.3
177.11253	21.5
183.13811	94.7
187.44884	1.7
197.15335	4.0
199.13300	2.7
201.14842	21.3
215.16418	7.2
221.13820	5.5
239.15019	1.6
241.17972	8.3
245.17448	5.6
259.19095	3.2
286.04727	3.7
289.19931	2.6
301.07019	3.9
327.20132	22.0
333.22888	3.5
367.22998	3.2
385.24286	2.3
409.38947	1.5
421.27551	1.8
465.30621	5.6
523.34790	4.6
541.35669	5.3
558.38715	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01861	1.7
55.05519	13.9
55.23319	1.3
57.03427	5.2
57.07069	5.7
58.77399	1.6
59.05019	1.9
67.05182	2.8
67.05510	37.0
69.07073	12.4
69.59840	9.7
71.04976	2.9
71.08631	2.6
72.08162	24.9
73.08490	4.2
74.30500	1.4
77.03931	2.2
79.05499	35.4
81.03416	3.4
81.07066	30.7
83.04990	3.9
83.08618	10.4
85.06541	2.1
85.10180	2.1
87.04456	1.6
89.06027	8.7
89.48669	1.3
91.04970	2.7
91.05488	27.3
93.07054	27.1
95.04964	7.5
95.08614	21.4
97.06528	2.9
97.10160	5.1
103.05457	4.4
105.04510	1.6
105.07040	100.0
106.07365	21.8
107.04943	3.5
107.08606	14.1
109.06511	2.8
109.10164	9.2
111.08050	1.8
115.05457	2.6
117.07030	11.6
119.08598	22.8
120.53674	1.4
121.06506	7.0
121.10172	11.9
123.08076	2.6
125.09635	2.5
128.06244	2.9
129.07027	13.3
131.08566	17.8
133.08595	2.4
133.10136	14.4
135.11696	6.2
137.09602	1.8
139.11101	1.9
141.07018	5.3
142.07790	2.3
143.08586	15.6
145.10114	18.1
147.08047	1.7
147.11700	15.7
149.09668	3.3
149.13301	4.7
153.07022	1.6
155.08549	12.0
156.09346	1.7
157.10135	14.7
159.11682	13.6
161.13258	7.7
163.11183	3.2
165.09126	2.7
167.08565	5.8
168.09363	2.7
169.10146	15.3
171.08072	1.8
171.11684	14.7
173.13226	11.0
175.14848	4.2
181.10098	8.6
182.10979	1.7
183.11722	11.6
185.13351	7.1
187.11256	2.6
187.14787	3.0
189.12805	2.7
192.84984	1.5
193.10222	2.3
195.11723	6.9
197.13318	9.5
199.14877	4.9
201.16464	1.7
207.11830	2.7
207.13658	2.9
209.13329	8.6
211.14809	5.9
213.16351	5.3
219.11613	1.8
221.13368	1.9
223.14896	4.4
225.16489	2.6
227.12770	21.4
228.13136	13.8
237.16400	3.7
241.19533	3.4
247.17044	1.6
249.16438	2.8
259.20541	9.6
272.87579	2.0
279.15921	3.3
281.17462	8.7
331.19110	6.2
332.19397	4.4
333.24268	4.2
335.23569	2.0
339.23233	2.3
367.26715	2.0
429.31555	3.7
437.34171	7.6
447.32742	16.5
465.33768	19.3
483.34991	12.5
521.36115	5.8
527.37445	2.7
529.38806	4.5
539.37354	77.9
557.38501	49.7
557.52185	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01869	3.0
55.05516	15.6
56.42893	1.3
57.03441	3.9
57.07077	1.7
65.03947	1.6
67.05508	37.7
69.03421	1.8
69.07072	12.7
70.77244	2.8
71.05007	1.5
75.03178	1.0
76.91563	1.2
79.05496	32.2
81.03429	2.6
81.07066	32.2
83.04987	3.5
83.08611	7.4
84.99811	1.2
85.02880	1.2
85.06551	2.2
86.29768	1.1
91.04914	1.5
91.05482	30.3
91.06026	2.1
93.07053	28.7
95.04986	5.0
95.08617	22.6
97.06549	4.4
97.10180	5.0
99.08101	1.2
105.04482	1.5
105.07040	28.0
107.04972	3.3
107.08594	12.7
109.06522	2.5
109.10151	6.9
111.08082	1.9
115.05424	1.6
117.07023	14.0
119.08591	23.5
119.09371	2.0
121.06522	2.0
121.10133	9.2
123.08083	4.7
123.11700	2.2
128.06247	3.8
129.07019	16.5
130.07840	1.7
131.08575	22.9
133.06477	2.4
133.10141	15.0
135.08089	1.9
135.11707	8.1
137.09674	1.6
141.07027	5.0
142.07817	3.5
143.08572	18.4
145.06462	2.2
145.10123	25.2
147.08043	1.4
147.11691	14.2
149.09705	1.6
149.13290	4.3
154.07710	1.5
155.08572	15.7
156.09384	2.9
157.10146	19.0
159.08092	1.8
159.11703	15.4
161.09662	2.7
161.13257	8.5
163.11188	2.6
163.14922	1.7
167.08559	8.3
168.09393	2.4
169.10123	17.7
171.08223	1.4
171.11685	22.0
173.09671	1.7
173.13269	13.1
175.14854	4.6
177.12796	2.1
179.08536	2.4
180.09271	1.2
181.10118	10.8
182.10901	1.6
183.11711	17.5
183.85004	1.1
185.09720	1.3
185.13243	11.4
187.11194	1.6
187.14861	4.0
189.12781	2.2
193.10181	2.1
195.11713	10.6
197.13240	12.8
199.14807	6.0
201.16435	1.7
205.10085	1.2
207.11743	4.2
207.13820	4.3
209.13327	6.3
211.14714	7.0
213.16374	7.5
215.18138	2.3
221.13216	3.0
223.14879	6.0
225.16541	3.6
231.17432	1.4
231.21194	1.5
235.14928	2.9
237.16452	3.5
239.18066	2.5
241.19598	5.3
247.17062	2.5
249.16324	1.5
251.17886	2.5
257.19073	2.8
259.20602	10.7
261.22205	1.5
265.19754	1.6
267.21219	1.5
279.15948	3.8
281.17261	8.1
285.18622	1.5
290.60889	1.2
295.20673	1.2
297.18539	1.3
307.20721	2.0
311.23700	1.4
315.23111	1.4
321.22150	1.7
323.23810	2.4
325.21625	1.7
327.23358	1.6
333.24420	5.0
335.23880	1.9
339.23276	3.0
341.24792	1.4
348.67050	1.4
349.25415	1.9
353.24777	2.7
377.50259	1.2
419.33160	3.3
429.31534	3.4
437.34042	9.1
447.32663	18.3
465.33719	22.7
483.34756	17.4
503.35248	2.9
511.37994	2.6
521.36267	8.5
527.37543	3.0
529.38867	4.3
539.37378	100.0
557.38434	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69104	1.6
69.03432	4.2
69.42941	11.2
74.67154	1.8
77.00879	2.4
81.03438	2.4
82.99846	4.3
85.02900	3.6
91.05452	2.5
97.02913	2.9
101.00887	33.1
103.02474	2.2
113.00872	10.0
119.01932	48.6
121.01659	2.5
125.79210	2.1
127.02446	11.5
127.03931	2.4
129.03937	2.3
131.01921	21.2
137.02965	5.5
137.69090	2.0
139.02437	3.3
141.03987	4.7
143.01915	36.6
145.03481	64.6
146.08081	2.4
147.01410	4.6
147.03291	3.9
147.04420	10.0
149.02954	2.9
155.01929	25.8
157.03491	15.3
159.05040	17.2
161.02980	35.5
163.04492	8.3
167.01936	14.4
169.03474	53.2
171.01372	4.4
171.05037	13.7
173.02974	31.2
175.04634	2.7
177.06120	2.6
179.01935	6.0
181.03470	5.7
183.05002	3.8
185.02982	61.4
187.04535	79.2
189.02458	15.2
189.06158	2.2
191.03960	4.9
193.03407	1.9
195.04938	2.0
197.02980	21.6
199.04517	15.8
201.06085	4.6
203.04033	20.0
205.03532	3.0
209.02888	1.9
210.05910	2.3
211.04553	15.3
213.02461	16.5
215.00352	2.8
215.04036	12.4
216.54344	1.9
217.05544	2.1
221.05090	5.2
223.04561	4.7
225.02499	5.6
225.05995	2.4
227.04013	13.5
229.05591	4.3
231.03506	26.4
233.01523	2.2
243.03635	4.6
245.05087	100.0
251.04419	3.7
257.01382	7.1
257.05103	3.0
257.71115	2.1
263.06149	12.1
271.06638	14.8
273.04764	2.6
275.02490	59.9
275.06088	26.7
287.02594	19.6
287.05722	3.8
289.07620	4.1
293.03525	14.4
293.07117	5.8
297.04535	2.3
301.11237	2.9
305.03534	21.6
305.07211	10.8
315.05569	6.7
321.08508	3.4
333.06723	3.4
335.04581	26.5
335.08270	5.5
341.03491	6.2
349.09930	3.9
351.09607	7.4
359.04559	19.8
365.09366	10.7
365.13110	2.0
377.05652	54.3
395.01425	3.9
395.06699	80.4
437.08011	2.7
539.10962	8.2
543.58392	2.0
557.11719	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.05514	15.7
57.03012	1.7
57.03437	2.4
57.07076	5.0
65.03941	2.4
65.87558	1.6
67.05508	26.0
69.03429	4.4
69.07070	22.9
70.21358	7.5
71.05025	2.2
71.08624	1.7
79.05499	29.9
81.07062	61.4
81.07534	4.0
83.04971	2.6
83.08625	15.1
85.02927	2.7
85.06555	2.2
87.49136	2.0
91.05483	37.0
93.07046	59.3
95.04991	3.1
95.08615	82.8
97.06547	6.5
97.10159	4.1
103.05507	1.9
105.04424	1.5
105.07033	68.3
107.08601	69.7
109.06503	4.2
109.10156	55.0
111.08084	7.0
111.11679	2.8
116.06268	2.6
117.07025	20.0
118.62667	1.6
119.08588	79.3
121.06512	2.6
121.10151	51.7
123.08113	2.1
123.11702	21.6
125.05975	2.4
127.03902	1.6
127.11192	2.6
128.06172	4.1
129.07002	15.8
130.07797	2.5
131.08574	34.9
133.10138	62.4
135.04428	2.9
135.08049	2.6
135.11699	38.8
137.05978	3.6
137.13263	7.2
141.06975	4.7
142.07767	7.4
143.08571	35.9
144.09332	4.1
145.06471	3.1
145.10132	57.2
147.11691	50.4
147.12640	1.5
149.06003	11.2
149.13254	12.1
151.07497	2.5
151.11153	5.4
155.08527	8.1
156.09308	8.2
157.10144	42.2
158.10846	4.2
159.11697	55.2
160.12560	2.2
161.09654	2.9
161.13269	46.6
163.07556	7.6
163.11205	2.0
163.14857	12.7
165.12750	1.9
169.10182	8.0
170.10918	9.6
171.08075	3.8
171.11687	34.8
173.09653	2.5
173.13290	23.3
175.07564	3.7
175.14836	22.5
177.09100	4.4
177.16365	9.8
179.14354	2.2
182.10931	2.6
183.11699	20.7
185.09598	2.7
185.13260	52.4
187.11121	1.9
187.14818	48.5
189.09132	5.8
189.12799	2.6
189.16389	42.4
191.10677	9.3
191.17952	31.4
195.11732	3.8
197.13260	12.8
199.11169	2.3
199.14838	45.7
199.16628	3.5
201.12839	1.9
201.16393	36.9
203.10687	5.6
203.17961	58.0
205.12238	20.3
205.19485	2.5
207.17451	20.3
209.13300	3.6
211.14828	5.7
213.12801	3.3
213.16393	13.9
215.14369	2.9
215.17989	9.6
217.12285	13.7
217.15736	2.7
217.19476	8.1
219.13812	4.5
221.19092	5.1
223.14890	2.7
225.16333	7.5
227.14330	3.3
227.17964	13.2
229.12198	3.5
229.19530	13.3
231.13777	14.9
231.21115	6.1
233.15375	13.4
237.16296	1.7
239.17973	12.0
241.19478	5.0
243.13841	4.5
243.21091	5.6
245.15401	52.1
247.16835	3.2
247.20676	1.8
251.17970	2.2
253.15660	2.0
253.19531	7.5
255.21082	9.3
257.15472	3.1
259.16837	2.4
265.19510	3.2
267.21118	7.0
269.22626	4.2
271.17072	2.3
273.18567	4.7
285.18579	2.9
293.22586	2.7
297.25659	2.5
299.20129	5.3
303.16022	3.9
309.13223	5.5
321.13400	7.7
335.14810	4.3
349.16461	25.0
389.19629	3.9
389.32025	17.3
407.33090	100.0
417.31412	5.2
435.32632	32.2
443.24146	2.6
453.33798	15.9
493.32693	3.8
495.34454	2.1
511.34372	26.2
521.32404	4.6
539.33698	71.0
540.35193	2.2
557.34656	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97557	0.4
56.44419	0.4
57.51225	0.5
58.99858	0.5
62.50431	0.5
62.70633	0.5
68.98279	1.0
69.03421	1.5
70.99863	0.7
71.50000	0.7
73.01424	0.5
79.42873	0.5
82.99870	1.4
85.02895	1.7
87.04462	0.6
94.99876	0.5
97.01395	1.1
97.02886	1.7
98.97589	0.5
100.07645	1.3
101.00894	8.2
103.02435	0.6
105.00267	0.5
113.00881	2.1
115.02470	2.6
115.03948	0.6
119.01932	7.5
125.00880	0.8
127.02437	10.2
127.11375	0.5
129.03961	0.5
131.01920	4.3
133.03490	1.8
133.04955	0.6
135.01378	0.8
137.00882	2.1
139.02417	2.9
143.01915	6.9
145.03471	28.2
146.03638	0.5
146.08105	0.6
147.01419	1.4
152.05701	0.6
155.01909	17.1
157.02255	0.9
157.03488	13.8
159.01389	0.7
159.05043	1.0
161.02963	4.5
163.04558	1.6
167.01912	6.8
169.03508	4.8
171.01492	0.5
171.05042	0.9
173.02980	9.9
175.04527	3.6
179.02211	0.5
179.03894	0.5
181.03436	1.9
183.05055	0.9
185.02960	13.8
187.04527	4.0
193.03581	0.7
197.02992	3.1
199.04482	1.8
201.02602	0.6
201.06186	0.5
203.04019	7.3
209.03001	1.6
211.04549	2.2
213.02524	0.7
215.03966	3.7
217.05600	1.4
221.03069	1.1
221.05095	4.3
223.04608	0.8
227.04033	2.2
228.05516	0.5
228.07578	0.6
228.57791	0.8
229.05600	0.8
235.06650	30.3
236.06885	1.5
239.04045	2.2
243.05408	0.5
245.04997	1.0
251.04305	1.2
253.05157	1.2
253.07715	14.4
257.05133	1.5
259.06647	1.5
269.05164	2.0
271.06750	1.7
277.07660	0.7
287.06003	1.9
289.07910	1.0
299.06067	0.8
301.07687	6.0
319.08768	39.3
320.09058	1.5
331.08746	2.5
349.09830	100.0
350.10077	4.9
363.07440	0.9
367.10931	7.2
370.08347	0.7
375.08621	0.5
390.12323	0.6
435.09882	0.8
465.11115	1.7
467.12595	1.1
495.11926	4.5
495.17868	0.8
525.13446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.07080	98.9
59.04715	1.7
59.05006	33.1
69.07056	1.9
69.35456	2.6
69.35873	5.7
69.78423	0.8
71.08639	100.0
72.08109	0.9
73.06580	1.1
83.08613	3.6
85.10190	92.6
87.04466	5.6
89.06037	69.0
93.41451	0.9
95.08614	1.2
97.10172	1.6
99.11734	12.6
101.06009	1.0
101.09641	3.0
103.07586	1.9
111.11740	1.6
117.09138	7.0
130.08653	2.0
131.07051	1.7
133.08617	44.7
141.16396	13.5
147.10225	1.5
175.09712	2.1
177.11252	23.7
195.12352	1.2
199.20583	28.1
199.22449	1.4
221.13791	3.6
235.15440	0.9
237.16931	1.1
239.15041	2.2
240.23338	2.3
257.24774	13.5
265.16412	3.0
273.09003	1.0
283.17529	24.5
283.26443	1.3
323.20660	3.6
341.21799	6.8
371.22711	4.5
381.24643	2.6
423.96729	1.0
536.76959	1.0
539.41510	4.7
556.44348	4.6
556.52081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
55.05522	10.8
57.03432	8.9
57.07083	32.9
59.68209	2.0
66.09941	2.2
67.05498	14.0
68.07980	1.7
69.07079	12.6
70.06595	5.2
71.04997	2.8
71.08636	19.3
71.44431	4.1
75.08533	1.8
79.05497	14.9
81.07056	23.0
83.05000	2.8
83.08638	10.3
85.10196	12.4
88.07653	3.0
89.06037	15.0
91.05466	4.9
93.07046	30.0
95.04975	6.6
95.08611	40.2
97.10162	2.7
99.04446	3.6
105.07061	3.6
107.04948	6.0
107.08609	23.3
109.10147	8.5
117.07044	5.7
119.08598	7.3
121.06487	3.6
121.10155	11.8
125.05975	2.5
133.08607	9.3
135.08102	2.4
135.11688	35.9
145.10130	25.5
163.11194	48.1
177.11234	3.6
181.12224	9.4
227.12799	62.9
257.24744	2.3
283.15421	68.6
283.26346	14.8
300.28992	7.9
313.27377	100.0
371.22672	5.4
375.17819	1.9
375.77737	2.6
521.38373	74.5
556.52930	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14938	0.9
55.05514	2.8
57.03437	2.0
57.07082	100.0
57.80266	1.1
59.05007	45.0
62.03104	1.0
67.05491	1.3
69.07066	2.2
71.08640	73.4
71.52984	1.6
83.08622	3.0
85.10192	64.9
87.04465	3.9
89.06046	13.4
89.21922	1.0
90.21265	1.1
95.08591	1.6
97.10166	3.0
99.11745	12.1
101.09642	4.5
103.07569	3.0
111.11688	1.6
113.13283	4.7
115.07568	1.2
117.09145	13.7
119.76365	1.3
133.08604	11.7
133.10146	1.3
151.09679	2.8
155.17981	10.3
162.01901	1.2
191.12860	6.1
198.45210	1.1
209.13852	4.3
213.22127	23.3
249.16980	3.2
254.24713	1.4
264.09955	1.0
267.00485	1.1
267.18100	1.8
271.26343	24.5
290.79181	1.1
319.22806	1.1
329.30615	2.2
536.49939	1.5
537.43677	2.7
542.94031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05507	0.5
57.67394	0.4
67.05508	0.7
68.68896	0.5
69.03431	1.4
69.07067	1.1
70.06592	0.4
70.86366	1.4
79.05502	0.8
81.03419	1.3
81.07047	1.5
85.02907	1.1
91.05487	0.9
93.07077	1.0
95.04929	0.6
95.08603	1.7
97.02907	0.8
97.06534	1.0
99.04440	0.5
105.03371	0.7
105.07027	1.2
107.04971	1.5
107.08611	1.1
107.14805	0.5
109.02870	1.3
109.06475	0.5
109.10156	0.9
119.04947	0.8
119.08587	0.8
121.02882	11.4
121.10130	0.8
123.04474	0.5
127.03957	1.4
133.02817	0.6
135.04411	0.7
137.05983	0.9
147.04411	2.1
147.08031	0.6
160.86795	0.4
163.03886	3.3
164.07213	0.4
166.08678	1.3
177.05515	0.8
184.05254	0.5
185.05974	0.7
187.03874	0.5
199.03946	0.7
201.05470	0.8
207.06441	0.6
212.04698	0.7
213.05571	0.6
215.03494	1.4
227.03337	1.2
228.04172	0.7
229.05003	1.4
231.02998	0.6
241.04991	0.8
243.02859	1.1
244.03741	0.7
245.04469	1.4
247.45343	0.5
254.05788	0.7
255.03088	0.6
257.04541	1.7
268.03784	1.7
269.04504	1.1
270.05389	0.5
271.02469	1.0
272.03009	1.0
273.03946	2.0
277.08676	0.5
281.04486	0.6
282.05270	2.2
285.03918	1.4
286.04697	3.3
287.05634	1.7
290.04367	0.7
296.03265	0.9
297.04160	1.1
298.04776	1.6
301.06976	3.0
305.08124	1.2
310.04791	0.8
313.08475	0.6
314.04456	0.7
314.09787	0.6
315.06580	1.0
325.03522	1.4
325.07208	1.4
327.05927	0.6
331.04236	0.7
333.07590	1.2
341.08228	1.2
343.05884	1.2
344.06683	0.7
345.07654	1.2
347.05560	1.2
350.07959	0.8
355.05923	0.8
357.07703	1.6
358.08401	1.0
359.09186	1.7
360.06439	0.9
361.07101	5.3
365.10522	0.6
369.07520	1.8
373.06964	4.2
374.07758	0.8
375.04974	1.2
376.05780	1.2
377.06427	0.7
385.07043	1.5
386.07867	1.2
387.08658	10.4
388.09705	1.0
389.06451	5.8
389.10831	0.7
390.07324	3.9
391.08218	2.0
392.05331	0.6
393.05902	0.6
397.07217	0.7
402.07422	1.0
403.08408	1.1
404.05197	1.9
404.09097	1.7
405.10126	1.0
407.07642	9.6
408.08633	0.9
413.06473	1.7
414.07495	1.2
415.08102	1.7
417.05954	0.7
418.06561	0.6
419.07401	5.8
421.09253	6.3
422.10138	0.6
430.07101	0.6
431.07776	3.7
432.08411	1.6
433.09268	2.0
442.06754	0.7
443.07922	0.7
445.09174	1.0
447.10831	7.6
458.06546	1.4
459.07037	0.7
460.07880	2.2
465.11862	22.1
473.08908	3.6
475.10455	3.4
476.07147	0.7
491.09717	5.4
493.11423	2.0
495.09174	2.0
501.08295	1.0
504.06955	0.7
509.10870	1.4
519.09198	3.0
537.10321	10.8
555.11365	100.0
556.11664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2816
Annotation	Canthiumine
Peak:m/z	Relative Intensity
55.05507	0.3
57.07071	0.8
67.05509	0.5
69.07055	0.3
71.08645	0.5
71.29683	0.3
79.05495	0.4
81.07057	0.6
83.08620	0.3
85.10179	0.3
91.05458	0.3
93.07045	0.6
95.08609	0.8
105.07008	0.3
107.08614	0.4
109.10164	0.4
119.08630	0.5
119.81187	0.2
129.13646	0.2
145.10155	0.6
159.11629	0.2
163.11171	0.2
244.03783	0.3
300.14764	0.3
351.53595	0.2
363.16071	0.8
376.17007	0.5
377.17667	2.3
378.18362	2.7
379.19052	0.6
391.19220	3.1
392.19998	3.9
393.20761	8.3
393.25888	0.4
405.20685	2.0
406.21542	3.0
407.22336	9.6
419.22607	0.7
420.22998	1.2
421.16916	0.9
421.23853	7.0
422.17560	1.6
422.24789	0.3
423.18277	0.8
433.19989	1.5
434.24704	0.4
435.18253	0.8
436.18945	1.3
437.19751	8.6
445.20053	0.3
447.21860	0.5
448.22681	1.7
451.21356	13.0
459.17899	0.3
461.23380	0.3
465.22806	2.7
466.23669	0.7
473.19498	0.4
477.26578	5.4
479.24509	0.9
480.25381	1.6
485.61630	0.3
488.22079	0.4
493.25934	0.8
494.26843	0.4
503.24371	3.8
508.28580	0.8
509.21777	1.0
509.29074	5.9
521.38458	0.6
523.23700	0.6
524.24170	2.7
535.27130	6.9
538.25610	0.8
553.28125	100.0
554.28571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91230	2.0
55.05512	5.1
57.03465	1.9
67.05508	4.4
69.03440	13.0
69.07075	6.7
69.35504	15.5
70.06602	5.4
71.05012	13.9
73.02921	2.5
79.05510	6.2
81.03425	4.5
81.07059	12.7
81.26743	1.8
83.04993	3.7
85.02901	11.4
87.00836	3.7
91.05475	3.4
93.07021	9.2
95.05002	2.3
95.08616	7.8
97.02899	5.5
97.06573	9.1
99.04445	2.7
99.08105	2.2
103.05451	2.0
105.07026	7.1
107.08639	10.6
109.02900	4.0
109.06498	3.5
109.10155	7.2
119.08607	4.7
120.08138	2.4
121.10153	10.3
123.08103	4.1
123.11739	3.0
124.03986	3.7
124.07595	3.5
125.09656	5.5
127.03918	5.5
127.11217	24.2
133.10130	6.4
135.08131	2.7
135.11714	3.1
137.05988	4.6
137.09648	17.8
138.09137	2.9
139.11197	4.2
147.04428	2.3
147.11719	3.7
148.36604	2.0
148.38531	1.7
149.09644	27.2
149.13409	2.0
153.09109	2.8
153.12807	4.4
155.10692	23.4
163.11174	4.1
164.07123	2.1
165.12836	3.2
166.08702	5.4
167.10681	26.5
173.13336	2.2
175.11124	2.2
177.05504	3.8
185.11757	4.2
187.14822	2.0
205.15926	2.7
207.17526	2.0
214.80855	1.8
217.15898	4.2
223.16925	16.6
235.16945	30.1
253.18051	24.2
271.19077	100.0
289.20111	35.7
410.15106	1.9
519.24548	16.3
554.18793	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03939	1.2
53.95065	0.6
55.01890	0.7
55.05510	0.9
65.03928	0.9
65.78240	0.6
67.05510	1.3
69.03436	1.1
69.07077	0.9
69.22354	3.6
69.22780	2.5
78.04729	1.0
79.05497	6.1
81.03428	1.3
81.07058	2.6
85.02940	0.6
89.03915	0.7
91.05489	6.4
93.07032	2.3
95.04952	3.1
95.08618	1.1
97.06532	1.6
103.05505	0.8
105.03402	4.7
105.07034	1.1
106.04221	0.8
106.07448	0.7
107.04301	1.0
107.04965	11.3
109.02853	0.9
109.06504	1.4
109.10117	0.9
110.03672	0.8
111.04439	0.8
117.03425	0.8
119.04978	4.3
119.05750	0.8
121.02888	1.8
121.06509	4.8
122.03667	1.4
123.04450	2.4
123.11835	0.6
124.05276	1.4
125.06001	1.4
131.04929	1.8
133.02852	4.5
133.10083	0.9
134.03598	4.1
135.04440	2.5
136.05240	0.9
137.05029	1.3
137.06000	16.4
138.03152	0.9
145.02827	1.1
146.03574	0.9
147.04414	4.3
149.02364	4.1
149.05980	1.2
150.03156	1.0
151.03949	4.0
152.04730	2.1
153.05472	3.1
159.04443	1.1
161.02335	3.9
163.03899	3.3
164.04713	6.0
165.01875	0.7
165.05507	7.9
167.03406	2.9
167.07051	22.0
168.00597	2.1
169.01318	4.5
175.03943	4.8
177.05501	1.9
178.06277	2.7
179.03442	2.9
179.07100	0.9
181.04973	3.9
182.05743	14.6
183.02965	1.3
185.56834	0.6
186.01651	1.1
187.03929	0.8
188.04759	1.1
191.03448	1.4
192.04218	3.9
193.04982	13.4
193.06699	1.0
194.05768	6.1
197.01036	0.8
197.06248	1.2
197.08109	23.6
200.04704	1.5
203.04594	2.5
205.04767	0.7
207.06528	11.7
207.08414	1.0
215.03477	1.1
216.04218	3.3
221.04457	21.1
222.06938	1.2
225.07599	11.7
227.05460	4.5
228.04129	1.1
231.06607	0.8
237.07550	1.1
238.08432	2.0
239.09190	0.9
241.05014	1.2
244.03685	14.4
251.07384	0.9
252.04213	0.8
253.04924	0.8
253.07146	7.6
254.05725	1.4
255.02873	0.7
256.03656	4.3
257.04529	1.3
258.05246	1.0
259.06033	7.5
268.03729	1.1
269.04532	1.5
270.05307	0.9
271.06009	0.9
272.03201	5.6
273.03967	1.7
279.06531	0.6
282.05353	1.5
283.06042	0.9
284.03171	6.3
285.04004	2.9
286.04749	17.0
287.05542	12.4
299.01947	1.7
299.05618	1.8
300.02652	4.8
301.03809	1.5
301.07077	45.1
312.02759	1.4
313.03387	1.1
315.04980	20.9
323.05353	0.7
327.01358	1.7
327.05090	6.4
329.03015	1.6
340.06125	0.7
342.03723	2.4
343.04898	1.9
346.03506	2.0
347.05548	1.4
354.03714	1.7
355.08179	0.8
360.05493	1.0
364.05826	1.3
367.04523	1.5
371.07770	2.3
375.05139	2.7
376.05597	0.9
385.05508	2.2
389.06570	2.9
390.07861	1.1
392.05295	2.5
397.02252	0.7
399.06906	0.8
400.05823	1.5
400.61667	0.8
403.04282	1.6
404.04984	1.1
414.07306	1.0
417.06186	2.8
418.06873	5.9
419.07941	1.1
420.04749	1.8
431.03915	0.8
432.08981	1.0
433.09366	3.7
435.07269	2.9
442.07071	1.4
445.05597	2.8
446.06506	4.4
447.11603	1.2
450.09479	0.9
458.06555	0.8
459.07660	1.1
460.03387	0.9
460.08493	1.3
461.08881	4.7
462.10068	1.2
463.06778	5.3
470.06412	1.1
473.05026	1.9
474.05859	1.9
475.06390	4.2
478.08762	3.6
488.07550	0.7
489.08102	2.1
491.06116	3.5
493.11493	5.4
503.09845	0.7
505.07761	1.3
506.08438	9.2
521.10858	74.3
535.12177	1.3
553.13464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.05513	12.0
56.69307	1.0
57.03429	4.4
57.07079	35.0
59.05006	6.7
65.03950	1.2
67.05505	18.2
69.03426	1.8
69.07076	9.9
69.19296	10.2
71.04989	3.0
71.08636	25.2
72.08985	1.1
79.05509	12.2
81.03419	31.1
81.06590	1.9
81.07058	25.5
83.05020	4.7
83.08620	15.8
85.02907	13.9
85.10189	18.7
85.26959	1.1
86.10558	1.1
86.17829	1.1
89.06052	7.6
91.05478	12.9
93.07044	6.3
95.04961	12.5
95.08618	19.7
97.02895	1.4
97.06537	2.0
97.10178	8.2
98.20730	1.8
99.08092	1.4
99.11745	1.7
105.07040	9.8
107.04987	2.2
107.08619	4.0
109.06535	1.6
109.10172	8.6
111.08086	4.6
111.11710	1.9
113.06049	1.3
113.54192	1.0
117.07017	1.0
119.08604	7.8
121.10149	4.5
123.11736	4.6
129.07027	4.3
131.08566	5.4
133.06529	1.2
133.08644	4.1
133.10159	4.3
137.09641	1.7
142.07782	1.2
145.42519	1.1
147.08090	1.1
147.11720	5.7
149.09659	2.9
157.10077	4.7
175.11208	6.4
177.11263	1.8
180.48489	1.0
193.12267	24.9
211.13303	29.5
248.93719	1.0
249.25838	1.1
267.15930	7.4
267.26788	1.7
341.30502	7.0
507.08096	1.2
533.41602	4.7
551.43109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.1
53.13977	1.0
55.01878	11.2
55.48390	1.3
57.03440	5.7
61.02918	6.5
67.05526	1.7
68.22528	1.0
68.99797	4.1
69.03435	36.1
69.07062	1.3
69.98295	3.6
71.04990	6.9
73.02927	7.3
73.23727	1.2
79.05473	1.3
81.03424	39.0
81.07078	3.0
85.02910	87.1
87.00835	33.1
91.03955	3.1
91.05475	2.1
93.07072	1.7
95.08615	2.9
97.02896	34.0
97.06509	1.8
97.10127	1.3
99.04453	16.9
101.02361	1.9
103.03970	2.6
105.01874	27.7
107.04969	4.3
107.08589	1.5
108.04486	10.9
109.02884	39.6
109.10138	1.3
109.61147	1.1
111.04462	1.2
115.03947	1.3
117.01842	5.8
119.04945	7.2
121.02920	1.3
123.11664	1.4
125.89430	1.2
126.05544	5.1
127.03928	73.4
129.01804	5.9
129.70045	1.1
135.04425	9.7
137.06010	1.5
143.06010	1.1
145.04964	36.8
147.02936	5.4
147.04427	30.2
149.06010	2.0
150.03119	3.5
153.05461	2.6
153.07048	1.3
159.02910	27.4
162.03178	2.5
163.03906	28.4
165.05495	8.1
177.04051	2.2
177.05473	42.1
178.06285	3.1
181.06465	2.2
185.06094	1.3
187.03986	1.8
189.03964	4.4
193.04961	11.7
199.07564	1.3
207.02803	1.8
209.05959	2.5
209.11775	1.5
212.05501	1.1
213.03966	2.7
227.07056	6.5
227.12794	2.6
230.06642	4.6
231.05025	17.7
233.18997	1.6
235.02406	1.2
237.05455	2.0
248.07617	8.1
249.05977	2.0
255.06540	5.7
259.09662	11.9
266.08698	3.4
269.08060	2.0
269.21170	4.4
272.06772	2.9
287.09161	100.0
299.09262	2.5
302.04346	1.5
309.09753	1.5
311.09167	17.3
317.06311	1.3
318.06805	2.7
329.10196	27.4
329.13922	2.2
353.10208	14.3
377.10135	5.8
395.11124	11.4
481.11398	1.7
490.27835	3.3
499.12109	4.0
517.13629	2.0
547.75848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95687	2.7
53.03940	7.4
55.05504	13.0
57.07071	14.2
65.03948	4.3
67.05511	31.9
69.07072	19.6
69.21640	10.9
69.22066	19.7
79.05494	22.1
81.03418	3.5
81.07063	41.8
83.08624	8.0
91.05485	38.4
93.07054	53.0
94.52641	2.9
95.04966	5.9
95.08060	5.3
95.08624	45.1
103.05496	4.7
105.04456	3.3
105.07042	79.2
107.08603	51.7
109.06545	3.0
109.10171	50.1
115.05404	3.7
117.07013	13.7
119.08599	100.0
121.10152	49.0
123.07986	3.2
123.11729	16.0
128.06201	5.6
129.07031	11.6
130.07759	7.7
131.08582	39.2
133.10130	57.4
135.11713	52.1
137.09602	4.2
141.06958	3.5
142.07805	12.4
143.08597	25.8
144.09340	10.3
145.10144	71.1
147.11702	21.8
149.13281	7.0
155.08548	9.8
156.09329	8.5
157.10150	40.9
158.10938	7.4
159.11714	41.9
161.13275	11.7
163.11240	3.3
163.16563	3.2
167.08598	5.8
169.10156	13.7
170.10942	6.1
171.11693	24.1
173.13252	22.6
175.14818	35.8
179.08563	5.2
181.10136	8.0
182.10953	9.1
183.11717	15.8
185.13211	16.6
187.14813	16.8
193.10138	6.4
193.15858	4.2
194.10999	5.5
195.11700	13.5
197.13275	22.4
199.14824	13.0
201.16455	19.1
206.10864	3.7
207.11743	6.8
209.13286	14.5
211.14850	14.2
213.16409	6.6
215.17984	3.8
219.17422	7.1
221.13245	9.1
223.14879	12.5
225.16402	4.4
227.17818	4.8
235.14937	7.0
237.16368	6.4
239.18004	4.4
241.19443	6.2
253.19608	4.6
263.17972	4.4
267.21075	4.5
275.18036	3.9
277.19568	3.8
279.20996	3.9
285.22266	3.4
327.07846	8.4
345.25748	5.7
378.81912	3.5
383.14182	6.6
397.19589	3.5
439.20578	4.6
490.64804	4.2
495.26428	11.3
495.36310	4.5
533.41864	7.8
551.42651	42.0
551.50281	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4253
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
50.01568	1.1
51.02374	1.7
53.03934	4.0
55.05262	1.5
55.05510	11.8
56.54162	1.1
57.07083	8.7
65.03928	4.7
67.05189	1.7
67.05511	27.5
69.06737	2.0
69.07073	20.1
71.35863	1.1
71.67957	1.2
77.03936	1.6
77.75248	1.0
79.05072	1.9
79.05495	22.0
81.03411	2.2
81.07063	38.7
83.04977	1.8
83.08621	8.9
85.06540	2.0
85.10157	1.4
91.05486	40.1
91.74287	1.1
93.07050	51.8
95.04966	4.4
95.08614	44.1
97.06511	1.4
97.10166	1.9
98.21524	2.8
103.05450	3.4
105.04525	2.9
105.07037	73.8
107.07883	2.5
107.08606	48.9
108.08907	1.4
109.06501	1.5
109.10166	42.0
115.05439	4.6
116.06233	1.5
117.07017	17.5
119.08590	100.0
120.09316	1.8
121.10157	44.0
123.08082	2.6
123.11717	13.7
128.06204	6.5
129.07002	10.0
130.07808	9.7
131.08575	31.2
133.10138	57.3
135.11694	38.3
137.09622	4.8
137.13181	1.5
141.07013	5.0
142.07787	10.4
143.08583	23.4
144.09279	4.4
145.10133	63.5
146.10956	1.4
147.11691	22.0
149.09628	3.9
149.13252	5.9
153.06972	2.6
154.07690	1.9
155.08549	8.8
156.09375	11.6
157.10144	36.5
158.10867	5.3
159.11708	36.1
160.12444	1.7
161.13293	11.6
163.11137	2.0
163.14798	2.5
165.07028	3.4
166.07770	1.9
167.08562	5.0
168.09331	3.4
169.10152	16.3
170.10919	5.6
171.11700	23.4
172.12457	4.0
173.11969	2.2
173.13293	23.9
175.11244	1.2
175.14841	38.7
177.16406	1.4
179.08565	6.8
180.02434	1.1
180.09325	2.6
181.10124	9.1
182.10889	5.9
183.11716	17.9
184.12498	3.3
185.13292	14.9
187.14850	13.6
189.16403	4.1
192.09425	1.3
193.10152	6.0
193.12189	1.4
193.15915	2.1
194.10938	5.7
195.11678	11.3
196.12436	4.9
197.13278	18.4
199.14833	7.6
201.16417	16.3
205.10139	2.0
206.10924	3.2
207.11684	6.1
208.12440	2.3
209.13255	13.2
210.14047	2.1
211.14851	11.4
213.16428	7.1
215.18050	1.9
217.10019	1.6
217.15901	1.4
219.11734	1.3
219.17473	3.9
220.12489	2.5
221.13228	5.6
222.14136	1.5
223.14836	9.8
224.15544	2.4
224.93100	1.3
225.16391	6.2
227.14294	1.5
227.17857	1.3
233.13298	2.9
234.14026	1.5
235.14769	7.2
237.16298	4.2
239.17929	3.2
241.19498	5.8
245.13266	2.1
247.14850	2.7
249.16499	3.2
251.18031	2.5
253.19562	4.5
255.20934	1.3
257.13358	1.5
257.19016	1.4
258.19608	1.3
259.20612	4.1
261.16302	1.5
263.17862	3.0
265.19537	2.9
267.21109	4.0
273.16309	1.8
275.17908	2.6
277.19489	2.3
279.21143	3.0
283.20667	2.3
285.22177	4.1
289.19531	2.9
291.21075	2.4
331.24176	2.2
333.25925	2.3
345.25745	3.4
363.26642	1.4
375.26877	1.4
397.28616	1.5
399.30621	1.4
411.30188	1.4
429.31277	1.8
445.34198	1.5
495.36075	2.1
533.41272	3.9
551.27423	2.1
551.42419	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04406	1.8
55.05515	10.6
57.07068	8.5
58.13777	1.9
63.61296	2.0
67.05513	23.7
69.03426	2.3
69.07072	23.9
71.08630	2.0
71.52287	2.6
79.05490	8.6
81.07063	62.6
83.04969	3.3
83.08625	15.8
85.02911	4.9
85.06528	5.8
91.05486	8.6
93.07050	29.6
95.08616	100.0
97.06522	2.1
97.10165	6.4
105.07050	27.3
107.08601	46.6
109.10164	46.5
112.55610	2.2
117.07062	2.9
119.08601	38.2
121.10148	44.6
123.11720	32.2
129.05489	2.8
131.08588	7.9
131.60475	2.5
133.10135	29.1
134.86725	2.0
135.11696	22.9
135.55957	2.1
137.13268	32.7
143.08571	3.8
145.10143	12.1
147.11710	30.1
149.13280	19.5
151.14818	3.1
151.75656	1.9
153.12669	2.2
159.11696	16.4
161.13242	27.2
162.72801	2.3
163.14868	13.6
171.11649	2.9
173.13284	12.8
175.14854	13.1
177.16382	18.2
179.17931	3.6
185.13336	3.9
187.14874	9.8
189.16405	14.3
191.17963	40.2
193.04945	2.4
199.14844	2.7
201.16501	12.4
203.17958	55.9
205.19550	7.7
215.18120	11.0
217.19534	38.6
221.19029	4.5
227.17979	2.7
229.19508	12.3
231.21115	5.8
235.20506	5.4
243.21159	3.3
245.22696	4.2
255.21046	4.7
257.22595	9.4
269.22690	7.8
283.24371	3.2
335.83112	2.0
353.32150	14.4
373.23694	5.7
401.26883	3.5
405.34641	3.4
407.36703	25.0
413.27005	7.7
498.70724	2.1
551.14447	4.8
551.28406	57.8
551.40961	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45871	2.4
53.03936	3.6
54.58916	2.5
54.62029	2.8
55.05524	15.4
57.07064	10.7
59.62902	2.9
64.01820	2.6
64.93713	3.0
67.05237	2.6
67.05516	31.5
69.07069	24.9
70.70193	6.2
71.08662	3.0
72.19138	2.7
79.05497	13.4
81.07069	62.1
82.96365	2.6
83.08616	12.5
85.06536	7.3
87.71545	3.2
91.05486	15.9
93.07059	34.8
95.08620	100.0
97.10186	7.3
99.08101	3.1
104.49650	2.9
105.07040	29.3
107.08614	46.2
109.10172	54.8
111.11764	4.2
117.07009	4.4
119.08604	36.1
121.10159	37.3
123.11733	27.9
131.08572	10.5
132.21880	2.7
133.10146	33.8
135.11703	28.7
137.13275	46.7
145.10103	14.5
147.11725	29.6
149.13286	25.3
151.14807	5.0
157.10193	4.7
159.11658	14.6
161.13283	22.3
163.14828	9.3
173.13246	11.9
175.14825	13.7
177.16394	27.4
179.18027	3.9
187.14854	9.7
189.16379	14.5
191.17984	29.3
201.16391	19.4
203.17981	58.1
203.19792	5.1
205.19566	8.8
213.16432	3.9
215.17969	12.8
217.19540	33.4
227.18062	3.3
229.19566	23.2
231.21088	4.7
241.19611	4.2
243.21060	5.3
245.22762	3.3
255.21095	4.0
257.22699	9.1
269.22647	6.3
283.24146	2.8
297.25848	4.3
313.28870	4.5
353.32074	5.9
373.23709	10.3
385.23383	4.1
401.27100	5.1
407.36749	21.5
413.26968	7.0
427.28110	3.1
497.70642	3.2
551.13281	2.9
551.28046	9.5
551.41119	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
57.07098	3.5
67.05511	16.8
69.07067	17.2
69.49786	9.7
69.50194	3.2
71.01359	2.8
79.05490	6.0
81.07063	35.4
83.08630	5.5
85.02913	2.2
89.05943	1.8
91.05488	8.3
92.97440	1.6
93.07053	18.8
95.08614	59.2
97.10178	4.8
101.02342	2.5
105.07022	20.7
107.08594	31.3
109.09482	2.2
109.10169	32.2
111.09900	1.9
119.08591	24.9
121.10155	28.4
123.11733	15.8
127.03931	25.8
131.08586	2.5
133.10146	25.4
135.11710	27.5
137.13277	16.5
143.08539	2.3
145.04979	3.5
145.10136	7.1
147.11708	20.6
149.13239	16.3
157.10123	3.1
159.11719	6.6
161.13269	24.7
163.14890	5.1
171.11685	1.9
173.13268	5.3
175.14867	12.8
177.16335	10.2
185.13327	3.7
187.14841	7.5
189.16402	12.8
191.17966	13.8
197.13144	2.1
201.16409	6.7
203.17973	14.1
213.16376	2.5
215.17911	4.4
217.19559	35.8
227.17986	6.7
229.19525	7.3
231.21008	3.2
243.21101	2.9
255.21048	2.5
257.22711	4.6
269.22662	4.0
271.24167	4.2
281.04025	1.8
283.24316	2.8
299.70554	1.5
311.73636	1.9
371.22101	4.5
407.36758	100.0
551.40918	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	551.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67643	1.2
53.03935	2.6
55.05511	11.5
57.07082	7.5
65.03951	1.0
67.05510	23.2
69.07074	21.7
69.70966	4.2
71.08639	1.1
73.65850	1.0
79.05494	14.4
81.07065	59.8
83.08626	10.6
85.02916	4.7
85.06551	2.3
88.98514	1.0
91.05486	8.9
93.06479	2.0
93.07050	26.9
95.08614	100.0
97.10166	7.1
105.07037	26.4
106.69587	0.9
107.08598	48.0
109.10165	57.5
111.11737	2.5
113.09656	1.6
117.07024	3.0
119.08584	35.0
121.10151	47.0
123.11719	31.4
123.44036	0.9
125.09671	1.0
127.03932	3.1
129.07060	1.0
130.07776	1.1
131.08569	7.6
133.10139	30.0
135.11693	26.2
137.13268	37.5
143.08630	2.4
144.09325	1.3
145.10138	13.2
147.11696	27.5
149.13261	24.1
149.14381	1.6
151.14812	4.9
157.10095	4.4
159.11697	13.4
160.12563	1.5
161.13272	23.7
163.14836	11.2
165.16486	1.1
171.11752	4.7
173.13242	9.9
175.14830	13.7
177.16405	24.1
179.17976	4.0
185.13258	2.2
187.14859	7.9
189.16414	15.8
191.17969	29.5
193.19513	1.2
197.13399	1.2
199.14903	2.4
200.15672	0.9
201.16386	13.8
203.17972	50.9
205.19502	14.1
213.16373	3.1
215.17989	8.0
217.19531	28.5
219.21144	1.4
221.19026	3.8
227.18018	3.9
229.19557	14.6
231.21077	5.9
235.20560	1.7
241.19545	3.9
242.10306	1.1
243.21107	5.3
245.22714	7.2
255.21068	4.9
257.22665	8.9
269.22595	6.4
271.24292	3.4
281.22601	1.0
283.06155	1.8
283.24149	4.8
297.25824	2.2
313.29025	2.8
333.20380	1.0
345.20886	1.0
347.22116	1.7
353.32071	14.2
359.22253	1.9
361.23624	1.4
371.21909	1.2
373.23779	8.2
387.25418	2.3
399.25427	3.2
401.26743	4.8
407.36758	21.8
413.26706	6.2
427.28464	3.0
467.32144	0.9
473.07260	0.9
551.40973	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	551.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01859	6.1
55.05518	10.8
57.07071	5.4
59.05003	2.6
61.50780	2.2
67.05509	17.8
69.07079	20.3
71.01366	14.5
71.03699	4.0
75.04472	4.9
79.05502	10.1
80.16174	2.1
81.07066	41.9
83.08627	15.4
85.02927	11.7
89.06045	4.0
91.05485	9.8
92.06763	2.0
93.07045	22.3
95.08619	82.5
97.10177	7.6
101.02391	29.0
102.91385	2.4
105.07037	27.3
107.08601	39.0
109.10167	42.6
111.11735	3.9
119.08595	31.6
121.10171	32.5
123.11721	25.4
127.03945	14.9
131.08592	7.8
133.10149	24.7
135.11719	22.7
137.13268	14.8
143.08597	3.7
145.04984	30.5
145.10156	11.1
147.11703	20.0
149.13269	17.5
157.10150	4.1
159.11726	19.8
161.13271	19.8
163.14803	12.3
171.11693	3.1
173.13304	9.7
175.14825	10.7
175.97723	2.3
177.16417	19.0
179.17963	3.5
179.74280	1.9
185.13225	4.3
187.14877	7.8
189.16408	19.0
191.17957	15.9
199.14810	4.1
201.16391	22.4
203.18004	28.2
205.19539	8.8
215.18015	11.2
217.19571	31.6
219.21045	3.3
227.17955	4.7
229.19519	11.9
231.21042	5.5
243.21051	5.8
245.22617	4.7
255.21234	9.4
257.22562	9.1
269.22610	13.9
271.24252	2.6
283.24265	5.0
297.25775	3.8
309.25739	2.4
407.36749	100.0
505.32242	1.9
539.55206	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01878	0.9
56.16446	0.2
57.03425	0.6
61.02924	0.4
65.58167	0.2
68.99785	0.8
69.03435	4.1
69.75256	0.9
70.06603	0.2
71.04983	0.5
73.02914	0.6
77.08864	0.2
81.03423	5.4
83.04983	0.5
85.02916	5.4
85.60980	0.2
86.09714	0.4
87.00833	1.5
89.06029	1.0
91.03954	0.2
91.05466	0.2
97.02903	3.9
99.04467	1.6
104.32240	0.2
105.01871	0.6
108.09863	0.1
109.02888	9.3
109.06532	0.2
111.04450	0.5
115.03925	0.4
117.01858	0.4
121.02898	0.2
123.04470	0.2
125.02371	0.4
127.03927	100.0
128.04306	0.2
129.01819	0.4
129.30524	0.2
133.08606	0.5
135.04390	0.2
141.01843	2.0
145.04973	2.3
147.02898	0.7
147.04417	0.2
148.20692	0.2
151.03934	0.2
159.02927	1.2
175.03886	0.2
177.05486	0.3
195.02780	0.2
201.03961	0.2
207.06573	0.3
213.03955	0.8
231.05025	1.4
235.06030	0.3
245.06517	0.2
249.06050	0.3
259.04617	0.2
273.06122	0.4
285.06091	0.3
303.07114	0.5
323.55408	0.2
339.07184	0.5
357.08212	1.6
371.22839	0.4
372.23035	0.5
375.09286	0.7
378.96692	0.2
385.18304	0.2
459.74536	0.2
510.90128	0.2
519.05743	0.2
519.13336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20618	0.3
55.05522	0.9
57.03441	1.5
61.02932	0.7
69.03436	5.6
71.07606	0.5
71.07932	0.5
73.02911	0.8
73.06565	8.6
79.05502	0.6
81.03420	0.6
82.06580	0.4
84.04493	1.7
85.02917	12.4
86.09702	1.5
87.04475	3.9
91.03970	0.8
91.05499	0.6
93.07057	1.5
95.05009	0.4
97.02909	7.3
98.91018	0.3
98.97593	0.5
99.04491	0.7
101.06055	0.7
101.13869	0.4
103.05476	6.4
107.04993	1.8
109.02901	1.2
109.06538	0.3
115.03175	0.7
115.03944	8.7
115.07589	0.4
118.06565	0.4
120.08121	100.0
121.02898	0.7
126.05527	1.3
127.03945	3.1
131.04953	2.7
133.04982	11.1
133.05995	0.6
133.78169	0.4
136.06213	1.4
141.10258	0.6
144.06490	0.5
145.04979	7.2
145.06133	0.5
147.04433	0.5
149.05992	1.7
155.11783	0.3
163.06042	3.4
166.08659	46.8
169.08534	0.4
177.03465	0.4
177.05336	0.3
187.09709	1.0
193.86667	0.3
200.13965	1.3
208.32677	0.3
211.01741	0.3
212.06187	0.5
217.10741	0.9
223.11859	2.0
228.13486	2.1
253.12885	7.3
259.08093	0.4
295.10211	0.5
345.09497	0.3
347.19266	0.5
358.12515	0.3
404.14368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
61.02925	0.3
61.48462	0.3
63.77402	0.4
64.06816	0.3
69.03439	1.7
70.06596	1.0
71.04990	0.5
71.31487	0.8
72.05007	0.4
72.08146	0.5
73.02931	0.6
73.06573	1.2
81.03429	1.0
82.06586	0.9
85.02913	4.3
87.04482	5.6
89.06042	100.0
91.07639	0.4
93.07053	0.6
95.04990	0.5
96.00114	0.3
97.02917	1.9
97.31625	0.3
99.04472	0.7
100.07628	0.8
107.07096	1.5
107.08566	0.4
109.02896	1.3
111.04382	0.3
117.03400	1.2
121.06529	0.6
124.07631	0.4
127.03935	7.2
130.08659	0.8
131.07050	1.2
133.08618	55.9
138.09123	0.4
144.06628	1.9
145.02843	3.3
146.08134	0.6
147.04428	0.6
148.83499	0.4
149.05939	0.4
151.09694	0.5
168.06506	0.5
175.09718	0.8
177.03914	0.4
177.05498	10.2
177.11241	26.5
195.12343	0.7
207.06552	0.5
207.13860	0.4
221.13849	5.3
239.14944	1.6
243.82701	0.5
265.16589	1.4
267.04639	0.3
283.17532	5.2
309.19019	0.7
321.09821	0.7
327.20151	3.8
339.10852	0.8
353.21814	1.3
371.22803	80.3
468.37637	0.4
531.93427	0.4
532.18896	0.6
550.20703	0.7
550.30566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.14
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
50.46040	0.3
50.84976	0.4
53.03949	0.4
54.80057	0.5
55.01863	1.5
56.98780	0.4
57.03442	4.7
59.05003	0.6
61.02925	1.1
67.05504	0.5
67.24590	0.4
68.99777	0.7
69.03434	19.1
69.28160	3.2
70.06578	0.4
71.01330	0.5
71.05002	0.8
72.77857	0.4
73.02919	5.1
79.05495	0.8
81.03410	1.7
81.07019	0.7
83.01324	1.0
83.05008	0.5
85.02908	12.1
87.04467	8.0
91.05454	1.0
93.07037	0.6
95.08616	0.5
97.02303	0.8
97.02898	15.0
97.06537	0.7
98.20794	0.9
99.04470	4.9
101.02386	0.9
103.03961	0.5
105.07006	0.5
107.04962	0.9
108.43701	0.4
109.02865	1.3
109.10109	0.5
111.00821	0.6
111.04434	0.9
115.03931	9.1
115.17349	0.4
117.05457	0.8
119.08556	0.5
121.02863	3.9
123.04425	0.5
123.08025	0.5
127.03924	3.1
129.07042	0.5
133.04976	8.3
135.04416	0.7
135.11740	0.4
136.07576	1.2
137.02335	0.5
137.05978	0.9
139.03925	1.2
143.03468	0.6
147.04404	1.7
148.12033	0.6
149.04503	0.8
151.03888	0.6
151.07532	0.9
153.01868	3.5
157.05005	2.1
163.03900	1.4
164.07097	1.6
165.01833	1.9
165.05493	1.0
175.06075	0.5
177.05481	1.0
178.05788	1.0
181.04993	0.9
183.02882	0.7
193.04964	1.0
206.18109	0.5
207.13887	0.9
208.14110	0.7
211.06039	2.0
213.05501	1.1
229.07101	2.8
231.06577	0.7
247.08109	1.6
258.05191	1.1
269.04483	0.5
286.04605	0.5
287.05511	100.0
299.05460	2.6
307.56354	0.5
311.05670	0.9
313.07199	0.7
323.05383	0.8
325.07123	1.2
329.06512	3.5
337.06998	1.3
341.06628	0.6
353.06543	3.1
365.06699	1.3
383.07608	4.7
401.08685	1.6
419.09784	6.7
551.26080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18378	0.3
53.03953	0.5
55.01868	0.3
55.05520	0.4
57.03450	0.4
61.02919	0.5
61.52206	0.3
63.02393	0.4
63.90259	0.3
65.03943	0.3
67.05529	0.4
69.03436	2.9
70.79321	0.4
70.79662	0.7
71.05008	0.4
73.02915	0.3
79.05492	0.4
81.03429	3.3
81.07056	1.0
85.02906	4.7
87.00831	1.0
89.03915	5.5
91.05492	0.9
93.07037	0.7
95.08569	0.7
97.02895	1.4
97.06551	0.5
99.04444	0.7
105.01903	0.6
105.07028	0.7
106.04213	0.4
107.08594	0.9
109.02885	2.0
109.10165	0.7
117.03392	17.9
119.04931	0.3
119.08585	1.0
121.10148	0.7
123.11682	0.4
127.03926	2.7
129.01875	0.4
131.08496	0.4
133.10161	0.6
134.03671	1.1
135.04381	1.0
135.11702	0.4
137.05984	0.7
145.02853	46.3
145.10173	0.4
147.11716	0.4
149.05986	6.2
153.01778	0.3
159.02890	0.5
159.11647	0.3
162.03227	0.3
163.03874	0.6
167.07014	0.5
168.00581	0.4
175.14804	0.6
177.05479	100.0
178.05775	0.5
179.07196	0.3
186.05486	0.9
195.06494	1.6
248.14226	0.3
258.05304	1.0
269.04520	0.3
271.05991	0.9
285.03949	0.6
286.04724	9.9
299.05399	0.4
301.07077	26.5
302.07379	0.5
303.23111	0.3
311.41730	0.3
321.09781	2.5
339.10812	6.0
343.08139	0.4
447.38837	0.3
565.35382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01877	2.3
55.05510	2.0
57.03442	8.0
57.07072	1.9
59.04995	2.8
61.02887	10.0
63.32059	0.6
67.05494	2.5
69.03435	27.0
69.07077	1.9
69.61311	3.7
70.06578	0.7
71.01342	0.7
71.05001	3.1
73.02920	3.6
75.72504	0.7
79.05482	2.0
81.03430	9.6
81.06647	0.6
81.07052	4.2
83.04985	2.7
83.08626	0.8
85.02912	100.0
85.06539	1.9
87.04469	3.0
89.06038	1.3
91.03990	3.4
91.05482	3.5
93.07059	3.0
94.22131	0.6
94.99261	0.6
95.04986	2.4
95.08617	5.5
95.48318	0.7
97.02898	28.6
97.06535	4.9
98.20898	1.6
98.21494	1.5
99.04470	4.9
99.08185	0.9
100.80295	0.6
103.03962	1.1
105.07050	6.7
107.08601	4.4
109.02893	11.2
109.06522	6.1
109.10188	2.3
111.08115	0.9
115.03973	1.6
117.07024	1.1
119.08616	4.3
121.06530	2.4
121.10188	5.5
123.08079	31.1
125.06010	4.8
127.03927	25.3
131.08600	2.4
133.06500	2.0
133.10136	6.3
135.08095	1.8
135.11725	1.6
137.05992	5.2
137.09671	1.0
139.07462	0.8
144.08913	0.7
145.04970	30.4
145.10167	1.8
147.08026	0.8
147.11737	3.1
149.09615	2.4
151.07556	45.0
153.09099	4.2
156.09378	1.4
159.08105	0.7
161.13290	2.0
163.06015	6.0
163.07326	1.0
163.11185	22.8
163.14833	1.3
165.12842	0.8
167.07143	1.7
171.06583	0.9
171.11731	1.0
173.13226	1.8
174.10283	1.0
177.05481	1.8
181.04955	0.8
181.12231	11.5
189.07713	0.8
189.12746	14.1
190.84576	0.7
191.14352	4.4
192.11441	1.6
201.05554	1.7
203.07085	0.8
207.13817	71.3
209.15385	14.7
223.13269	0.9
225.14873	20.8
226.90314	0.8
295.45969	0.7
301.07184	1.9
317.06656	1.6
325.16907	0.8
329.57025	0.7
345.81842	0.7
346.05048	0.7
369.19153	1.8
387.14835	1.2
387.20328	5.2
440.15494	0.7
530.04449	0.8
549.25574	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01873	0.3
55.05521	0.5
57.03443	0.4
60.30283	0.2
63.02387	0.5
67.05513	1.2
69.03441	1.5
69.07077	0.7
70.85925	0.3
70.86252	0.5
71.05015	0.5
73.02932	0.3
73.22305	0.3
79.05512	0.9
79.08601	0.2
81.03423	2.2
81.07067	2.8
82.17648	0.3
83.04990	0.2
83.08620	0.3
84.20342	0.3
85.02909	2.7
89.03925	4.7
91.05486	2.0
93.07045	1.5
94.90144	0.3
95.04982	0.4
95.08627	1.6
97.02913	1.0
97.06538	0.7
99.04465	0.6
103.05468	0.6
105.07035	1.7
106.04185	0.4
107.08590	1.8
109.02876	1.6
109.06539	0.5
109.10159	1.4
117.03385	16.0
119.04965	0.8
119.08572	2.0
120.50628	0.3
121.06537	0.3
121.10159	1.1
123.11706	1.2
127.03932	1.4
131.08588	0.6
133.02843	0.2
133.10139	1.5
134.03635	1.3
135.04379	0.9
137.02399	0.2
137.05981	4.4
137.09608	0.3
145.02856	43.0
145.10127	0.7
147.04417	0.7
147.11678	0.7
149.05992	6.2
149.09665	0.3
151.07520	0.4
152.01970	0.3
153.05455	0.8
161.13101	0.3
163.03894	1.1
163.14821	0.5
167.07024	0.8
169.10246	0.3
173.13266	0.5
175.14822	2.6
177.05479	100.0
178.05835	0.4
179.07062	2.3
181.04953	0.3
185.13289	0.3
186.05540	1.3
191.14334	0.8
193.15891	0.6
195.06548	2.0
201.16342	0.4
207.06526	1.3
209.07898	0.3
255.06500	0.4
286.04727	1.0
296.29501	0.3
301.07117	4.8
301.10419	0.3
321.09851	1.6
339.10782	7.5
368.11847	0.4
369.12424	0.9
523.02100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03429	3.3
59.53054	0.8
64.25098	0.7
64.61594	0.9
66.15531	0.8
69.03080	1.3
69.03442	14.3
70.06616	1.3
70.47024	0.7
71.50423	0.7
71.86886	0.9
73.02913	0.8
79.05494	3.4
81.18407	0.8
85.02924	9.0
87.04485	6.5
89.05965	0.9
91.05526	1.1
97.02909	12.5
103.05492	9.0
107.04990	4.4
109.02884	1.1
110.03678	1.6
115.03947	9.2
117.03415	0.8
119.04944	3.0
121.06510	1.1
123.04430	7.4
127.03931	8.4
128.04257	3.6
128.24135	0.8
131.04948	21.3
133.04977	5.5
135.04408	1.7
137.06001	1.2
146.08138	0.9
147.04437	22.1
149.06020	12.0
150.07632	1.9
159.04433	6.4
165.05510	8.5
167.07028	1.2
175.03934	37.4
177.05498	34.9
179.06989	4.6
187.05017	1.9
193.04999	13.9
203.01498	2.0
203.03426	41.5
209.13783	0.9
221.04486	100.0
231.45772	0.9
239.05547	86.4
262.06400	1.2
313.10809	1.1
341.10333	1.6
358.12823	3.1
550.19183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01874	0.8
55.05507	0.5
57.03440	2.8
57.07069	0.7
59.04999	0.2
61.02545	0.4
61.02891	2.6
67.05513	1.4
68.99796	0.3
69.03433	9.5
69.07065	0.8
69.38168	1.4
71.01360	0.3
71.04993	1.4
73.02920	1.0
73.35227	0.3
79.05497	1.3
81.03425	4.8
81.07061	2.1
83.01334	0.4
83.04987	1.2
83.08626	0.7
85.02909	31.8
85.06565	0.5
87.00815	0.5
87.04465	1.0
89.16403	0.2
91.03949	1.2
91.05483	0.6
93.07050	1.8
95.04967	1.0
95.08604	2.1
97.02900	10.2
97.06530	2.3
98.20759	0.4
99.04464	1.9
101.02402	0.4
105.01891	0.3
105.07029	2.3
107.04958	0.4
107.08604	2.2
108.05743	0.4
109.02888	4.1
109.06518	2.9
109.10162	0.8
110.71154	0.2
111.08081	0.4
115.03936	0.6
117.03410	0.4
117.06969	0.3
118.04200	0.6
119.08607	1.7
121.06485	0.6
121.10152	2.1
122.07262	0.3
123.08074	9.6
123.11683	0.4
125.05994	2.2
125.09622	0.3
127.02971	0.5
127.03919	8.4
129.07001	0.2
130.09436	0.3
131.08583	0.7
133.06506	0.6
133.10138	2.3
134.03610	0.3
135.08073	0.7
135.11699	0.9
136.06192	0.8
137.05942	1.3
137.09590	0.4
140.00957	0.2
143.08591	0.3
145.02893	1.1
145.04965	8.5
145.10139	1.4
147.08044	0.3
147.11696	1.7
149.09641	0.7
149.13322	0.3
151.07549	10.7
151.11194	0.2
153.01823	0.7
153.09114	2.1
159.02954	0.4
159.08081	0.3
159.11684	0.5
160.02394	0.2
161.13245	0.5
161.38383	0.2
163.06055	1.3
163.11185	6.7
163.14850	0.7
165.12726	0.3
167.07063	0.5
168.00531	3.4
169.01303	0.4
171.06525	0.4
171.11726	0.4
173.13217	1.2
177.05457	3.0
179.14442	0.2
181.12234	5.4
181.90053	0.2
186.01576	1.5
189.07552	0.6
189.12747	3.7
191.14305	3.9
192.11511	1.4
207.13811	25.5
209.15384	6.5
212.04744	0.6
223.13344	0.5
225.14867	9.7
229.04956	0.6
240.04132	0.6
241.04991	1.3
255.06549	0.4
257.04361	0.3
258.05267	1.7
268.03714	0.3
269.04361	1.6
285.03967	5.2
285.22147	0.3
286.04730	53.1
287.05090	0.5
301.07074	100.0
302.07410	0.8
303.23315	0.3
349.21103	0.3
369.19058	0.5
387.20129	2.8
549.25464	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	549.1245
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03955	0.7
54.68837	0.1
55.01876	0.7
57.03422	0.6
61.02915	0.5
65.03941	0.2
65.70473	0.1
67.01847	0.3
67.05500	0.4
68.99770	0.6
69.03432	3.6
69.07064	0.2
70.06589	0.4
70.37379	0.1
70.72781	0.3
71.01360	0.1
71.04974	0.4
73.02926	0.8
79.05491	0.3
81.02987	0.2
81.03423	2.9
81.07044	0.6
83.08606	0.2
84.08110	0.1
85.02911	6.1
87.00838	2.0
88.83928	0.1
91.03935	0.2
91.05481	0.4
93.07037	0.4
95.04967	0.3
95.08603	0.5
97.02383	0.2
97.02905	2.1
97.06510	0.2
99.04473	1.0
103.03937	0.4
105.01878	1.0
105.03381	0.7
105.07035	0.2
107.04959	0.6
107.08583	0.4
109.02881	3.3
109.06520	0.3
109.10123	0.3
111.04438	0.3
114.31310	0.1
115.05467	0.2
117.01849	0.3
117.07059	0.1
119.08568	0.5
121.02866	0.3
121.10154	0.3
123.04427	0.7
123.11720	0.2
125.05923	0.1
125.09705	0.2
127.03922	4.3
129.01831	0.5
129.07021	0.2
129.63391	0.2
131.08580	0.2
133.10114	0.2
134.08467	0.1
135.04440	0.6
137.02357	0.3
137.05989	0.6
139.03854	0.1
141.05438	0.1
145.04973	1.4
145.10092	0.3
147.02899	0.3
147.04492	0.2
147.08080	0.3
151.07497	0.1
153.05493	1.3
159.02913	1.1
159.11748	0.2
161.02345	1.9
161.05997	0.7
163.03941	1.1
164.04651	0.2
167.03412	8.5
167.07050	0.3
171.04422	0.6
175.03993	0.8
175.07552	0.9
177.05501	0.7
179.03391	0.3
182.02177	0.2
183.03004	0.2
185.04526	0.2
185.05977	0.3
188.04697	0.3
189.04013	0.2
189.09146	0.3
191.03438	0.2
197.04459	0.9
201.05431	0.2
203.07048	4.6
205.04959	0.4
207.06564	0.2
212.04657	0.1
213.03865	0.3
213.05621	0.3
216.04230	0.6
217.08572	1.1
219.06480	0.3
227.06946	0.9
230.05748	0.5
231.06557	14.3
233.08057	0.5
240.04132	0.3
241.04887	0.2
245.08121	3.6
255.06454	0.8
259.06064	1.8
269.08063	0.2
273.07571	1.7
283.05884	1.0
286.04715	0.5
301.07080	100.0
302.07394	0.6
313.06985	0.3
313.10464	0.2
325.06973	0.6
331.08295	0.3
343.08109	1.1
367.07782	0.2
463.12338	0.4
549.12524	0.9
549.20148	0.3
549.31940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1242
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03949	0.5
54.48375	0.3
55.01867	0.6
55.05496	0.3
57.03436	2.1
59.05005	1.3
61.02905	0.6
67.05506	0.3
69.03432	2.8
69.90351	1.3
70.06585	0.4
71.05005	0.6
73.02927	0.7
79.05488	0.8
81.03413	1.5
82.06582	0.6
85.02912	8.1
85.06575	0.3
87.00828	0.4
87.04465	1.0
89.06049	1.7
91.05473	0.7
93.07052	0.7
95.04977	0.5
95.08617	0.4
97.02892	2.3
97.06499	0.4
99.04449	0.7
100.07568	0.4
103.03951	4.3
103.07604	0.5
104.04291	0.5
105.03377	0.3
105.07056	0.9
107.08588	0.3
109.02891	1.2
109.06512	0.4
111.04424	0.4
117.66034	0.3
117.94759	0.3
119.08584	0.6
121.06497	0.4
121.10117	0.6
123.08076	1.9
125.06044	0.4
127.03934	2.0
131.08571	0.3
133.02864	0.3
133.08588	0.4
133.10141	1.2
135.04454	0.3
135.08095	0.6
135.11743	0.3
137.01379	0.5
137.02354	7.4
137.05962	1.3
141.06973	0.6
145.04970	2.3
145.10100	0.3
147.04385	0.4
147.06519	0.3
147.11699	0.6
150.03117	0.7
151.07550	2.5
151.11212	0.4
157.06519	1.3
161.58023	0.3
163.03786	0.4
163.11163	2.1
167.06995	0.4
169.06532	0.9
171.04440	0.5
171.07939	0.3
174.12346	0.3
175.03938	0.5
177.05440	0.3
177.11256	0.5
181.12210	0.8
184.05261	0.3
185.06003	0.7
187.03918	0.9
188.04710	0.4
189.03989	0.3
189.05501	1.2
189.12755	1.3
191.03474	0.4
191.09094	0.3
191.14366	0.6
193.05019	0.4
196.05270	0.4
197.05980	3.2
199.03999	0.6
201.05699	0.3
207.12242	0.2
207.13817	10.0
209.15396	1.2
211.07533	0.7
212.04727	0.8
213.05481	10.9
215.03326	0.4
225.05511	1.1
225.14906	1.7
227.06944	2.1
231.06572	0.5
240.04298	0.7
241.04970	11.3
245.08102	0.8
255.06480	2.3
268.03668	0.8
269.04465	11.5
273.07544	0.3
279.11014	0.2
283.06100	1.7
286.04715	3.2
301.07080	100.0
302.07428	0.7
369.18900	0.3
387.19946	0.4
549.26074	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03957	1.8
55.01866	1.2
57.03443	1.7
59.04992	0.2
59.70327	0.2
60.76549	0.2
61.02934	1.3
64.91590	0.2
67.05507	0.2
68.99796	1.2
69.03436	10.4
69.82085	0.9
69.83395	0.2
71.01368	0.3
71.04993	0.9
73.02914	1.5
73.97620	0.1
81.03426	8.4
83.39115	0.2
85.02913	14.4
87.00316	0.3
87.00835	5.5
87.04468	0.3
89.06071	0.3
91.03941	0.3
91.05482	0.3
93.07042	0.3
95.08577	0.2
97.02902	4.8
97.06565	0.2
98.20830	0.2
99.04467	3.1
101.02364	0.3
103.03976	0.9
105.01203	0.2
105.01875	2.7
109.02895	6.3
113.27120	0.2
115.03937	0.4
117.01851	0.5
118.04129	0.2
119.04937	0.2
121.02821	0.2
127.03933	10.9
129.01846	1.2
136.06100	0.2
137.05960	0.3
145.02876	0.4
145.04985	2.4
145.06108	0.2
145.06555	0.2
145.10069	0.2
147.02861	0.6
153.01842	0.2
159.01750	0.3
159.02943	2.9
167.06972	0.3
168.00589	2.0
169.01315	0.3
177.05466	0.8
184.05226	0.3
186.01604	0.7
187.06032	0.3
189.03946	0.6
213.03952	0.6
222.25061	0.2
229.05077	0.4
231.05013	1.7
231.50887	0.2
240.04152	0.5
241.04936	0.4
253.04720	0.2
255.06522	0.3
257.04395	0.2
258.05270	1.4
269.04318	0.5
270.05219	0.2
271.06046	4.1
284.03442	0.2
285.03940	2.8
285.07144	0.3
286.04742	34.7
299.05548	2.1
301.07086	100.0
302.07397	0.6
309.03787	0.2
310.04782	0.6
325.07037	0.7
329.06830	0.3
343.08191	2.8
355.08002	0.2
367.08160	0.5
397.09259	0.2
463.12372	1.0
531.11627	0.2
549.12372	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.7
55.01870	0.6
57.03429	1.1
57.07084	0.4
59.05007	1.6
61.02910	1.6
64.47862	0.3
66.44511	0.3
67.05502	0.7
69.03438	3.9
71.04990	0.7
72.76305	0.3
73.02921	0.5
79.05479	0.5
81.03441	2.1
81.07045	1.2
83.04974	0.6
84.44948	0.3
85.02916	14.3
87.00811	0.6
87.04474	0.8
89.06046	5.6
91.03956	0.5
91.05497	0.6
93.07051	0.9
95.08606	1.0
97.02895	4.9
97.06544	1.0
99.04461	1.0
103.03887	0.3
105.07027	0.9
107.08595	1.0
109.02872	1.6
109.06521	1.2
109.10137	0.5
111.04341	0.3
111.08085	0.4
118.04179	0.7
119.04940	0.6
119.08569	0.5
121.02826	0.4
121.06553	0.4
121.10170	0.9
122.07339	0.3
123.08086	5.0
125.06007	0.9
127.03930	3.9
131.08582	0.4
133.06506	0.5
133.08609	4.3
133.10138	0.6
134.08972	0.3
135.07967	0.3
137.05983	0.7
140.00992	0.5
145.02841	0.3
145.04985	3.8
145.10107	0.9
147.11748	0.6
151.07562	5.5
153.09125	1.0
159.04442	0.4
163.06024	0.8
163.11191	3.4
163.14795	0.3
167.07062	0.3
168.00549	3.5
171.06540	0.4
173.13271	0.7
177.05447	1.4
177.11230	1.1
181.12244	2.1
186.01634	1.2
189.07542	0.3
189.12732	2.3
191.10530	0.4
191.14355	1.3
192.11449	0.6
207.13817	11.5
209.15419	3.2
225.14876	4.3
229.05098	0.5
229.35849	0.4
240.04176	0.7
241.05040	0.5
255.06519	0.5
258.05334	1.4
268.03680	0.3
285.03964	6.5
286.04745	55.5
301.07092	100.0
302.07251	0.5
387.20050	1.4
415.25143	0.7
548.34839	0.6
549.25494	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	549.1244
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.79890	0.3
58.19311	0.3
63.45402	0.3
70.05371	1.0
75.36763	0.3
81.03417	0.3
85.02895	0.7
109.02897	0.7
110.76442	0.2
118.03429	0.3
118.04211	0.7
119.88750	0.3
127.03925	0.9
148.30800	0.3
168.00575	3.7
186.01646	0.9
229.04982	0.5
240.04149	0.8
241.05023	0.4
257.04321	0.5
258.05194	1.5
268.03699	0.6
285.04004	4.7
286.04745	54.7
301.07095	100.0
302.07272	0.3
372.94019	0.3
438.90659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
64.15289	1.0
65.03957	1.9
67.05504	1.3
69.03433	1.4
70.06600	1.3
70.77752	1.4
70.78080	1.0
72.08164	1.6
79.05499	1.6
81.03403	1.1
81.07052	1.0
83.04970	2.7
85.02930	1.4
89.68840	1.0
91.05487	7.4
93.07043	1.0
94.04205	1.1
95.04976	2.3
97.02898	2.2
103.05513	1.1
105.07028	2.0
107.04944	0.9
107.08633	1.1
109.06580	1.4
111.04490	1.6
115.05472	2.9
117.03396	1.8
119.04966	10.9
122.03669	2.8
126.11554	1.0
127.03938	1.2
133.02878	3.8
135.04456	1.4
135.08049	1.4
137.05986	36.4
145.02855	3.8
145.06555	2.1
147.04411	9.7
149.05997	3.1
150.06776	2.3
151.03940	3.1
151.07549	2.1
152.08328	1.4
158.03679	3.2
160.05240	1.4
161.05998	4.0
162.06786	3.3
165.06946	1.2
167.07027	1.2
173.06035	9.2
175.03925	9.5
175.07617	2.3
177.05505	5.8
177.06905	1.4
178.07719	1.1
179.07034	3.5
180.07822	1.5
181.08717	1.1
185.06096	1.0
186.03102	7.9
187.07498	1.0
189.05495	1.8
189.07036	1.9
191.07069	1.7
201.05487	100.0
203.07025	2.4
205.04903	2.5
205.06554	4.8
205.11896	1.1
206.07280	2.3
207.06566	3.0
213.05585	2.3
217.06534	2.5
218.07288	1.5
219.06395	1.5
219.08249	1.4
221.05945	2.0
222.06769	2.6
223.07431	1.4
231.06590	4.0
233.05923	5.9
234.06760	7.9
235.07605	1.5
237.09103	3.8
245.06058	2.8
247.07579	1.7
249.09166	4.9
250.06377	3.7
251.07123	2.7
261.05548	2.1
262.06262	8.5
263.07068	4.0
264.07907	1.8
265.08643	6.8
273.05511	2.9
277.08594	9.3
278.05765	1.5
279.06680	2.6
279.10245	1.6
290.05789	8.4
292.07297	3.4
293.08105	6.4
294.09024	1.9
295.09665	1.7
297.11240	2.5
305.08090	15.3
307.06418	1.6
307.09604	6.6
309.11124	1.8
314.67694	1.2
322.08463	2.8
325.10782	15.3
337.10776	20.4
343.12057	1.0
351.10672	1.4
355.11777	70.5
363.62637	1.1
474.28641	1.0
547.17517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78421	0.6
59.05013	1.6
65.35033	0.7
69.03422	1.5
70.06595	1.5
71.52563	1.0
73.02921	1.0
73.06564	1.8
79.05508	1.0
81.03458	0.8
83.04988	0.9
85.02907	2.0
86.09724	1.0
86.96307	0.6
87.04482	12.2
89.06040	100.0
89.19411	0.6
91.05497	1.1
91.07580	0.7
93.07069	0.8
95.05009	0.9
95.08616	0.7
97.02906	1.5
98.97591	0.7
107.07097	1.8
107.08627	0.7
109.02872	0.6
117.03416	0.8
117.09132	0.8
119.08566	0.8
123.04485	0.7
127.03967	0.8
130.08624	0.9
131.07071	3.4
133.08620	58.3
137.06006	1.9
143.73439	0.7
167.07114	1.2
175.09734	1.5
177.05511	1.2
177.11230	18.0
177.12692	1.3
191.14311	0.7
201.05540	1.9
207.06551	0.9
221.13950	1.9
265.16534	0.7
287.05463	3.6
288.05768	0.8
337.10864	1.4
355.11963	1.3
361.02573	1.1
385.11670	0.8
427.16275	0.7
529.17139	0.8
547.21973	0.6
547.32751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.0
50.25944	1.0
53.00591	0.9
53.03946	4.2
55.01880	5.2
55.05518	42.8
56.84782	1.1
56.95622	1.2
57.03445	14.5
57.07082	9.9
57.47020	1.0
59.05000	1.4
63.05868	1.0
65.03941	3.3
67.05513	89.3
68.05811	1.4
69.03437	3.7
69.07074	40.9
69.42561	2.4
69.42962	6.7
71.04987	4.0
71.08633	3.8
73.06587	1.0
79.05504	46.2
80.05841	1.3
81.03429	65.9
81.07066	81.6
82.07401	1.5
83.04994	8.7
83.08626	36.9
83.09122	2.1
85.02914	3.5
85.06545	3.8
85.10188	1.3
91.04901	1.7
91.05489	44.4
93.07057	47.6
94.07402	1.5
95.04981	37.8
95.08618	59.8
97.02885	1.6
97.06551	10.0
97.10172	23.5
99.08110	3.4
101.05985	1.1
105.04563	1.3
105.07038	32.0
107.04967	13.5
107.08609	26.0
109.06563	5.4
109.10165	30.8
111.04448	1.8
111.08089	8.6
111.11725	3.2
115.05447	1.3
117.07047	10.7
119.05009	1.5
119.08599	30.1
121.06523	8.2
121.10154	22.4
123.04471	1.2
123.08080	3.6
123.11729	9.4
125.09655	13.8
129.07019	10.3
131.04897	1.2
131.08583	20.4
133.06500	2.6
133.10129	17.9
135.08055	5.2
135.11711	11.7
136.12120	1.2
137.09641	4.1
137.13289	4.4
142.07811	2.0
143.08562	4.5
145.06514	1.6
145.10136	11.8
147.08075	4.5
147.11710	14.0
149.09660	6.0
149.13297	5.4
151.11201	2.7
151.14897	2.1
155.08601	2.9
157.10181	9.7
159.11696	6.2
161.09616	1.8
161.13280	7.0
163.11224	4.5
163.14871	5.3
165.12820	2.8
167.08647	1.2
167.14249	1.3
169.10109	1.4
171.11757	3.1
173.13310	4.3
175.11235	8.3
175.14862	4.8
177.12706	2.0
177.16386	1.9
183.11752	2.4
183.29921	1.2
185.13341	3.2
187.11252	1.6
187.13310	1.1
187.14836	3.4
189.11281	4.6
189.16429	3.8
191.18100	1.3
193.10471	1.8
193.12256	26.2
199.14885	2.4
201.16411	2.6
203.14470	1.2
203.17926	1.5
205.12329	2.6
205.15993	1.3
207.13866	1.5
211.13312	6.1
213.12822	1.2
217.15863	1.2
223.13210	1.6
225.08095	1.1
225.16524	1.2
227.12808	12.9
227.18193	1.3
228.13225	3.1
241.18010	3.2
245.22673	6.0
249.14803	4.9
263.23706	10.3
267.15942	61.0
269.22778	1.3
275.20172	3.4
285.25778	1.3
287.23819	1.6
289.21658	5.7
301.25354	1.7
303.23465	1.7
303.26779	13.1
319.26501	1.7
329.24692	1.7
331.26282	1.5
337.27399	52.6
343.22760	1.5
343.26520	1.3
361.27542	3.0
363.25485	2.4
393.69864	1.2
403.24625	1.4
421.25894	2.8
427.35574	1.8
435.27686	1.2
437.34177	7.9
455.35321	17.7
473.36176	12.7
503.37790	1.2
511.38068	1.9
529.30615	1.8
529.38971	82.6
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	547.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
64.15289	1.0
65.03957	1.9
67.05504	1.3
69.03433	1.4
70.06600	1.3
70.77752	1.4
70.78080	1.0
72.08164	1.6
79.05499	1.6
81.03403	1.1
81.07052	1.0
83.04970	2.7
85.02930	1.4
89.68840	1.0
91.05487	7.4
93.07043	1.0
94.04205	1.1
95.04976	2.3
97.02898	2.2
103.05513	1.1
105.07028	2.0
107.04944	0.9
107.08633	1.1
109.06580	1.4
111.04490	1.6
115.05472	2.9
117.03396	1.8
119.04966	10.9
122.03669	2.8
126.11554	1.0
127.03938	1.2
133.02878	3.8
135.04456	1.4
135.08049	1.4
137.05986	36.4
145.02855	3.8
145.06555	2.1
147.04411	9.7
149.05997	3.1
150.06776	2.3
151.03940	3.1
151.07549	2.1
152.08328	1.4
158.03679	3.2
160.05240	1.4
161.05998	4.0
162.06786	3.3
165.06946	1.2
167.07027	1.2
173.06035	9.2
175.03925	9.5
175.07617	2.3
177.05505	5.8
177.06905	1.4
178.07719	1.1
179.07034	3.5
180.07822	1.5
181.08717	1.1
185.06096	1.0
186.03102	7.9
187.07498	1.0
189.05495	1.8
189.07036	1.9
191.07069	1.7
201.05487	100.0
203.07025	2.4
205.04903	2.5
205.06554	4.8
205.11896	1.1
206.07280	2.3
207.06566	3.0
213.05585	2.3
217.06534	2.5
218.07288	1.5
219.06395	1.5
219.08249	1.4
221.05945	2.0
222.06769	2.6
223.07431	1.4
231.06590	4.0
233.05923	5.9
234.06760	7.9
235.07605	1.5
237.09103	3.8
245.06058	2.8
247.07579	1.7
249.09166	4.9
250.06377	3.7
251.07123	2.7
261.05548	2.1
262.06262	8.5
263.07068	4.0
264.07907	1.8
265.08643	6.8
273.05511	2.9
277.08594	9.3
278.05765	1.5
279.06680	2.6
279.10245	1.6
290.05789	8.4
292.07297	3.4
293.08105	6.4
294.09024	1.9
295.09665	1.7
297.11240	2.5
305.08090	15.3
307.06418	1.6
307.09604	6.6
309.11124	1.8
314.67694	1.2
322.08463	2.8
325.10782	15.3
337.10776	20.4
343.12057	1.0
351.10672	1.4
355.11777	70.5
363.62637	1.1
474.28641	1.0
547.17517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
55.05521	1.4
58.19896	1.4
59.14443	1.2
62.52496	1.0
65.03929	3.2
67.05505	3.2
69.03433	1.8
70.06590	3.3
72.08140	2.2
79.05504	2.1
81.03412	2.2
81.07061	1.4
83.04991	5.9
85.02931	5.4
85.06555	7.2
86.09699	1.6
89.03901	1.1
91.05493	6.4
93.03447	1.5
93.07034	1.2
94.04138	1.7
95.04964	3.4
97.02888	3.2
97.06545	1.7
98.21458	2.9
103.05472	1.5
105.07052	2.2
105.67625	1.3
107.04971	2.8
107.08578	1.6
109.02877	1.4
109.10175	1.3
111.04462	2.7
111.89378	1.1
115.05468	2.2
117.03403	1.3
117.06988	1.7
119.04966	11.0
119.08556	1.7
121.02834	1.6
121.06500	2.5
122.03644	3.8
123.08089	1.4
124.05208	2.0
127.03903	3.4
130.04166	2.2
131.04924	2.4
131.56934	1.1
135.04346	1.4
135.08067	1.4
137.05992	54.7
145.02852	2.4
145.05074	1.7
145.06438	2.0
147.04428	9.3
149.05930	1.9
150.06770	3.5
151.03888	3.0
151.07584	1.8
158.03651	3.8
160.05205	1.3
161.05995	4.5
162.06747	4.1
165.09109	1.3
173.06013	8.4
175.03955	8.7
175.07590	1.4
177.05440	3.8
177.06895	1.7
179.07048	3.2
180.07816	3.3
185.05981	1.8
186.03125	8.5
188.04652	2.2
189.05453	2.5
189.07013	3.9
191.07036	1.6
201.05487	100.0
203.07037	2.8
205.06485	4.3
206.07259	1.8
207.06503	2.6
213.05429	3.3
217.06494	3.6
218.07060	1.7
219.06522	4.2
219.08316	1.6
221.09595	1.3
222.06746	3.4
223.07552	2.1
231.06564	5.5
233.06078	5.9
233.08096	1.4
234.06726	9.2
235.07608	2.9
237.09102	4.0
245.06042	2.8
246.06888	1.2
247.07556	2.2
249.05371	1.4
249.09145	6.5
250.06281	5.0
251.07088	2.7
262.06198	10.6
263.07068	2.3
263.16449	1.7
264.07764	1.8
265.08673	8.9
273.05463	3.0
274.06476	1.3
276.07877	1.5
277.05518	1.8
277.08585	12.7
278.05579	2.2
279.06528	2.7
279.10202	2.1
281.08044	1.2
290.05801	10.4
291.06592	1.9
292.07239	3.7
293.08005	9.0
294.08920	3.5
295.09747	2.6
297.11359	2.2
299.09570	1.5
305.08167	17.7
307.06180	2.2
307.09518	9.0
309.11133	2.5
310.08505	1.9
319.09674	1.5
322.08325	3.6
325.10730	22.9
337.06769	2.2
337.10733	34.9
355.11765	70.8
400.90656	1.2
529.17603	1.2
547.27246	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1815
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
55.01875	0.3
55.05546	0.2
57.03421	0.2
59.04992	0.2
63.78269	0.2
65.03952	0.4
67.05498	0.6
68.61048	0.2
68.99792	0.3
69.03416	0.5
69.07064	0.3
69.28549	1.6
79.05476	0.3
81.03414	0.4
81.07079	0.4
85.02917	1.3
89.03938	0.3
91.05495	0.6
93.07062	0.4
95.04953	0.4
97.02879	0.4
97.06528	0.5
99.00795	0.5
105.07053	0.4
107.04964	0.3
107.08607	0.3
109.02885	0.5
112.01596	0.4
113.02351	0.2
115.05493	0.3
117.03349	0.2
119.04961	1.2
119.08587	0.3
121.02873	0.4
121.10167	0.3
125.12852	0.2
127.00291	0.6
127.03950	0.5
128.06187	0.3
129.06984	0.4
131.04919	0.3
131.08537	0.4
132.34113	0.2
136.48991	0.2
137.02367	0.3
137.05980	0.5
140.01151	0.3
141.06982	0.3
142.07823	0.3
143.08595	0.5
145.02840	0.6
145.06516	0.2
147.04372	0.2
149.02348	0.8
149.09627	1.6
153.01884	0.3
153.05557	0.3
153.07008	0.7
154.99698	0.3
155.08571	2.1
157.06497	0.4
157.10101	0.3
158.07349	0.4
159.08086	0.5
163.03943	0.4
165.01877	0.7
165.05800	0.2
165.06987	1.1
167.08640	0.2
168.00548	8.8
168.05713	0.6
169.01341	8.2
169.04994	0.4
169.06500	1.5
171.08066	1.5
172.08812	0.5
173.05956	0.4
175.07565	0.2
177.01894	0.5
177.05511	1.0
179.03427	0.3
179.08641	0.3
181.04971	0.6
181.06520	0.3
182.07193	0.4
183.02905	21.7
183.08070	9.0
184.08855	3.5
185.06143	0.2
185.09625	1.3
186.01613	3.4
187.07600	0.4
191.03494	0.3
191.14372	0.6
194.02142	2.3
195.02954	1.5
197.05971	0.3
199.07596	0.7
201.05511	0.5
201.09161	0.3
203.03416	0.2
207.02834	0.3
207.06537	0.5
209.04443	2.5
209.06166	0.3
211.07558	2.6
219.02907	0.4
221.04448	0.3
231.03105	0.3
233.09686	0.3
235.07571	0.3
251.06929	0.2
254.05684	0.2
261.03784	0.2
261.09207	0.5
263.07059	0.2
265.08698	0.3
269.04712	0.2
270.05292	1.0
277.08795	0.3
279.10095	0.2
282.05237	0.6
283.06131	0.4
284.06778	0.4
286.04800	0.4
289.08701	0.5
291.06451	0.4
293.08026	0.3
295.06052	0.6
297.07684	0.3
298.04752	1.5
299.09155	0.9
300.06458	0.2
301.07214	0.5
305.08066	0.2
306.08896	0.9
307.09567	1.0
309.04028	0.3
309.07474	2.0
310.04749	2.4
311.09366	0.3
311.12909	0.5
313.07077	4.8
316.07187	0.3
317.08154	1.0
319.06073	2.6
321.11499	0.3
323.05466	0.6
323.09204	0.7
324.06219	0.8
324.10040	1.2
325.07104	3.0
325.10599	0.4
333.07645	1.2
334.04520	0.2
334.08374	4.3
335.09244	0.6
337.07089	12.3
338.07932	0.4
339.08640	0.6
339.12296	1.9
341.10092	0.2
349.10724	3.3
350.07849	0.5
351.08658	4.9
352.09409	7.0
365.10233	0.7
367.11795	100.0
368.12085	0.8
385.12857	6.4
463.14426	0.2
527.01996	0.2
529.17084	0.5
547.14734	0.2
547.34558	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
56.95354	0.4
57.03436	0.5
58.78330	0.4
59.77430	0.4
67.05493	2.3
68.99801	0.7
69.03425	2.1
69.07062	1.7
70.73802	0.5
71.04985	0.8
71.10529	0.6
71.10877	0.6
75.65324	0.4
79.05480	1.8
81.03419	1.8
81.07056	4.9
83.08616	0.7
84.08136	0.5
84.52700	0.4
85.02918	2.9
85.06533	0.6
89.03890	0.8
91.05500	1.2
93.07050	1.6
95.04947	1.0
95.08620	1.7
97.02889	1.5
97.06528	3.2
99.00851	0.6
105.07032	1.3
107.08604	1.6
109.02876	1.6
109.06526	3.3
109.10157	1.6
110.09705	0.5
117.03403	2.4
119.04943	0.9
119.08577	0.8
121.02879	1.1
121.10162	0.8
123.11737	1.0
127.03941	1.3
131.08594	0.8
133.10149	0.9
137.02419	0.5
137.05998	1.3
143.08575	0.6
145.02846	7.0
145.10185	0.8
147.04416	2.0
149.02341	0.9
149.06033	0.8
149.13266	0.7
153.05461	1.8
153.06947	0.6
155.08566	2.3
157.06433	0.7
157.10222	0.5
159.08066	0.6
161.05914	0.5
163.03995	1.2
165.01889	1.4
165.07028	1.1
167.06992	1.1
168.00562	8.3
169.01344	8.1
169.06493	1.3
171.08093	1.6
173.05923	0.7
174.11314	1.0
175.03966	0.8
177.01904	0.9
177.05476	14.0
181.06506	0.9
183.02913	22.3
183.04543	1.1
183.08064	7.6
184.08885	3.1
185.09665	1.5
186.01619	3.8
191.03438	1.2
191.14415	0.8
194.02135	1.9
195.02905	4.0
199.07617	0.9
201.05389	0.7
201.09111	0.7
209.04425	2.5
211.07582	2.8
213.09166	0.7
219.02925	1.9
231.02988	1.0
239.86131	0.6
259.09778	0.8
261.04013	1.5
270.05252	1.2
281.14999	0.5
283.06000	1.2
284.06711	1.8
295.06052	0.6
297.07471	0.6
298.04910	0.6
298.07974	0.7
299.09171	17.0
307.09604	1.3
309.07672	1.5
310.04715	2.7
311.12671	0.7
313.07156	2.5
317.08084	0.6
319.06073	3.3
323.09198	0.8
324.09857	1.1
325.07126	3.0
333.07626	1.2
334.08331	3.9
335.09366	0.7
337.07071	13.5
337.10577	0.8
339.12271	2.2
349.10892	2.6
351.08768	4.9
352.09442	5.7
355.15488	1.9
367.11798	100.0
385.12924	8.8
397.12885	1.0
427.13861	0.6
450.29056	0.5
451.13779	1.0
503.14941	0.8
511.15948	0.6
529.17096	0.8
547.34631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01877	0.4
55.05512	0.5
57.03437	5.7
59.05006	100.0
67.05505	0.7
69.03419	1.8
69.07082	0.7
69.32338	0.9
69.32762	1.8
70.06594	1.1
70.66534	0.3
71.04993	1.1
73.02934	0.5
74.03676	0.3
76.38554	0.3
79.05499	0.6
81.03434	1.4
81.07076	1.5
83.04996	0.4
84.08139	0.4
85.02903	4.9
86.09693	0.4
87.04475	0.5
89.06047	1.0
91.05510	0.5
93.07040	0.7
95.04971	1.3
95.08627	0.7
97.02898	2.0
97.06559	1.0
99.04459	0.8
99.08108	1.4
100.07639	0.5
101.06018	0.7
101.09677	1.0
105.07062	0.9
107.08624	0.7
109.02914	1.6
109.06546	0.5
109.10199	0.9
113.05997	0.5
115.07587	2.0
117.03357	0.5
117.09139	34.7
119.08598	0.6
121.10149	0.5
123.31067	0.4
124.03966	0.4
127.03949	1.6
131.07132	0.5
131.08606	0.6
133.08609	0.4
133.10188	1.1
135.08136	0.4
135.10210	0.8
137.06033	0.4
140.33350	0.4
141.05574	0.5
142.96149	0.3
145.02875	1.0
145.05040	0.6
145.10164	0.6
159.06581	0.7
159.08015	0.4
169.01360	0.5
173.13307	0.5
175.13307	18.1
177.05537	1.2
183.02911	1.7
184.03369	0.5
191.14375	0.5
193.14468	1.5
233.17477	5.7
245.15503	0.6
251.18553	3.0
263.16547	0.6
283.06265	0.5
285.09784	0.4
291.21851	0.6
299.09247	0.6
309.22888	1.1
367.26923	29.6
383.11273	2.0
384.11603	6.3
546.33551	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	546.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01859	1.5
55.05519	16.0
55.65788	1.3
57.03448	7.8
57.07069	3.8
58.90138	1.4
59.14441	1.4
65.03931	2.8
67.05514	79.3
68.18699	1.5
69.03423	2.8
69.07079	13.4
69.43587	4.4
69.44012	5.5
71.05000	4.0
73.02905	1.3
74.68764	1.4
77.65781	1.6
77.85286	1.4
79.05502	42.9
80.05837	2.0
81.03413	7.3
81.07069	83.7
82.07374	2.2
83.04951	2.5
83.08635	11.2
85.02905	6.2
85.06539	3.4
91.05493	30.1
93.07050	54.3
94.07365	1.7
95.01333	5.9
95.04965	5.1
95.08617	65.1
96.05341	1.9
96.08971	1.8
97.02895	1.5
97.06526	5.7
97.10183	8.0
97.10728	1.3
99.08102	3.8
100.77879	1.6
103.03970	1.7
105.07037	22.4
106.07402	2.1
107.04917	2.1
107.08616	39.2
109.06530	3.1
109.10171	34.0
110.41824	1.4
111.04465	1.3
111.08089	2.9
111.11750	1.8
113.02405	2.8
115.05516	1.6
117.07030	11.3
119.08591	23.7
120.08907	1.8
121.06522	1.8
121.10153	33.5
123.08077	1.4
123.11713	18.3
125.09624	3.8
127.11267	1.4
128.56506	1.3
129.07033	2.5
131.08585	24.7
133.10135	16.0
134.10428	1.3
135.08078	1.8
135.11708	26.5
137.09608	2.7
137.13297	7.5
139.11191	2.7
141.01854	7.1
143.08536	2.4
145.10138	19.6
147.11703	13.1
149.09639	1.9
149.13280	20.3
151.11195	2.3
151.14778	3.4
157.10097	3.5
159.11717	14.4
161.13249	12.3
163.11188	1.8
163.14841	13.0
165.12732	2.7
171.11778	2.0
173.13274	16.3
175.14769	7.2
177.12785	2.7
177.16409	6.1
179.14360	3.3
184.07364	2.1
185.13222	1.5
187.14847	11.8
189.11186	2.1
191.14270	1.8
193.12221	2.2
201.16399	3.1
205.15833	2.7
209.70358	1.2
209.89174	1.5
215.17949	1.8
219.17430	2.0
227.12614	1.7
233.22731	3.0
236.43742	1.5
243.21117	29.6
261.22174	100.0
267.15891	3.2
268.16269	4.6
279.23270	5.2
302.25800	2.3
303.23221	2.1
310.05780	1.3
326.90259	1.4
335.25824	36.3
336.26172	2.2
353.26910	36.8
454.34171	2.5
511.28952	5.4
528.37799	14.7
540.66394	1.7
546.38806	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75632	0.7
55.01873	1.2
55.05493	0.7
67.05509	1.9
69.03445	2.3
69.68158	5.0
70.06587	2.3
71.04969	1.2
79.05515	1.8
80.00562	0.7
81.03415	1.8
81.07068	1.9
83.05006	2.1
83.41417	0.7
84.08142	1.2
85.02911	2.4
85.06573	1.3
86.09711	1.6
87.04491	1.9
89.06028	1.3
91.05476	2.6
93.07039	2.2
94.04197	1.8
95.04971	1.8
95.08624	1.6
96.92837	0.8
97.02926	1.6
97.06521	1.0
99.04453	1.3
105.07046	2.3
107.04956	1.7
107.08611	2.3
109.02866	1.9
109.06522	2.7
109.10160	0.9
110.03649	0.7
111.04436	1.4
115.05434	1.4
117.03387	1.2
117.07002	1.2
119.04961	2.4
121.06552	1.1
121.10140	1.3
122.03642	4.0
123.08018	1.0
125.06021	1.4
127.03903	1.9
128.07103	1.3
129.07315	0.7
130.04155	1.9
133.06509	0.9
133.10164	1.3
135.11777	1.1
137.06006	53.8
138.03322	0.7
145.02852	4.4
145.05022	1.0
145.06471	2.1
145.10146	1.1
146.03619	1.1
147.04449	4.2
147.11736	1.1
149.06041	1.2
149.09648	1.1
151.03922	4.0
158.03728	1.5
161.05997	4.9
161.67184	0.8
162.06830	2.0
163.03934	1.6
167.07094	1.5
169.51588	1.0
173.06021	6.3
175.03914	2.1
177.05540	7.2
177.06952	1.8
178.07825	1.0
186.03171	2.9
189.07080	3.3
195.02928	0.8
201.05499	48.1
202.07808	1.0
205.06532	5.5
206.07318	4.3
207.06454	1.2
207.10150	0.9
213.05496	5.4
213.07211	0.8
217.06493	2.8
218.07368	1.5
219.08130	1.6
220.05321	1.1
221.06047	1.4
221.09645	1.4
222.06796	3.1
231.06425	4.0
233.06131	5.5
234.06801	16.4
235.07634	5.3
237.09109	2.8
244.05287	1.4
245.06038	5.2
246.06779	2.1
247.07574	2.6
248.08372	1.4
249.05693	1.1
249.09131	5.6
250.06294	3.3
251.07124	4.0
259.07449	1.1
261.05505	2.9
262.06284	18.5
263.07162	4.6
264.07852	2.1
265.08673	7.5
266.09485	1.6
273.05554	4.1
274.06268	2.4
276.07718	1.9
277.08612	19.0
278.05832	1.8
279.06631	3.1
279.10120	1.4
287.07056	2.6
289.05038	3.0
290.05780	29.4
291.06354	1.1
292.07355	4.9
293.08167	8.2
294.08881	2.6
295.09769	2.1
297.11237	2.0
304.07431	1.7
305.08133	49.5
306.08719	1.9
307.06110	2.1
307.09656	8.8
309.11215	2.9
310.08337	0.8
319.09781	4.4
322.08429	5.2
325.10785	27.6
337.10757	100.0
355.11804	10.0
435.35938	1.0
547.20978	1.5
547.32971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88179	1.3
55.05513	7.6
57.07066	5.6
59.02457	1.2
67.05514	7.0
69.03414	2.1
69.07078	15.6
69.46624	4.7
69.47047	5.4
70.98058	1.2
71.08636	2.6
79.05482	5.2
81.07075	15.2
82.29135	1.2
82.44190	1.4
83.08620	8.2
85.10168	2.0
91.05465	3.5
93.07049	12.4
95.08618	40.2
97.10157	5.2
105.07021	4.7
107.05017	1.2
107.08598	10.5
109.06503	2.1
109.10155	10.5
111.11743	2.5
117.07044	1.4
119.08564	6.0
121.10165	7.8
123.11697	6.3
123.62010	1.2
131.08554	4.3
133.10110	3.1
135.11652	6.8
137.13269	4.0
139.14717	1.3
143.08511	3.2
145.10103	5.5
147.11696	4.9
149.13226	6.4
157.10121	3.0
159.11665	2.1
162.23503	1.3
163.11136	2.9
163.14899	1.7
171.11659	2.1
173.13214	2.1
176.15244	1.2
177.16351	3.7
180.03297	1.2
185.13251	3.2
187.14784	1.5
191.10672	3.7
201.12733	1.6
217.12309	1.5
219.13753	2.8
231.13718	4.3
245.15364	2.1
264.27435	1.4
273.16861	2.5
294.05606	1.6
313.27258	2.9
329.72934	1.3
357.27893	100.0
375.28967	43.6
388.37338	1.3
467.37442	1.6
511.39999	1.5
514.67194	1.4
546.25714	6.2
546.40704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1453
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.85442	0.1
55.01901	0.1
57.03427	0.1
60.23001	0.1
69.07092	0.1
69.74649	0.3
69.75054	0.2
79.05540	0.2
81.07088	0.2
84.10520	0.1
85.02954	0.2
91.05496	0.1
93.07090	0.1
95.08624	0.1
97.06555	0.2
98.21445	0.2
101.50519	0.1
107.05007	0.1
107.22591	0.1
112.59743	0.1
116.87012	0.1
117.03437	0.1
121.02935	0.1
124.01594	0.1
127.03974	0.2
132.05753	0.5
133.06554	0.3
135.04483	0.2
137.05946	0.6
139.03975	0.1
147.04449	0.3
147.11784	0.1
148.01740	0.1
149.09647	0.3
151.03902	0.1
152.01065	0.1
163.03941	0.2
165.01910	0.1
166.02594	0.5
167.03430	0.3
167.07152	0.1
168.05782	0.2
169.01407	0.2
177.01823	0.1
177.05528	0.3
182.07294	0.6
183.08049	1.0
183.09209	0.1
184.03702	1.6
184.05247	0.1
185.06017	0.2
185.56107	0.1
195.02940	0.4
196.05234	0.4
197.06087	0.4
199.07683	0.1
200.08377	0.2
201.05508	0.2
208.05243	0.2
210.06839	0.6
211.07571	1.4
212.08330	0.2
213.05518	0.4
224.04767	0.2
225.05511	0.2
227.07080	0.9
228.07854	0.9
239.07027	2.6
239.09315	0.2
240.07832	0.2
241.04973	0.7
243.10181	3.4
252.04083	0.2
253.04938	0.1
253.08618	0.1
255.06543	0.7
256.07321	5.5
263.57584	0.1
267.06552	0.7
269.04636	0.2
269.08017	0.2
270.05301	0.1
271.09644	0.1
283.06000	1.4
284.03528	0.2
284.06812	14.6
299.09149	100.0
300.09607	0.5
313.06818	0.2
325.07172	0.1
367.11789	1.2
385.12778	0.4
397.12897	0.1
450.03699	0.1
503.15494	0.2
547.13983	0.2
551.95477	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
53.03955	4.9
55.01860	3.3
55.05516	16.6
57.03452	6.9
57.07072	1.4
59.04982	1.1
60.20301	0.8
65.03943	2.3
67.05510	45.0
69.03423	2.6
69.07069	10.0
69.76137	4.6
71.04985	3.8
72.45671	0.7
79.05497	37.0
81.03426	32.2
81.03808	0.6
81.07064	43.9
83.04977	7.8
83.08151	1.2
83.08626	17.4
85.02914	12.1
85.06554	1.1
91.05490	33.0
93.07053	37.5
93.07645	2.0
94.04563	0.9
95.04977	16.0
95.08614	22.4
97.02872	1.3
97.06535	4.2
97.10167	6.1
99.08119	1.2
105.04514	0.9
105.07039	24.0
107.04960	3.3
107.08593	18.8
109.06525	3.3
109.10160	9.7
111.04482	2.2
111.08092	5.3
113.06007	1.5
116.06198	0.9
117.07014	5.7
119.08590	20.4
121.06511	2.3
121.10155	17.4
123.08063	2.1
123.11727	2.7
125.09632	4.9
129.07034	5.9
131.08577	16.0
133.06497	1.6
133.10147	11.3
135.11685	7.3
137.09630	1.7
142.07791	1.4
143.08591	2.8
145.10120	8.9
147.08116	1.1
147.11694	9.9
149.09622	3.1
149.13271	2.7
155.08571	1.8
157.10121	7.8
159.11696	6.8
161.13293	3.1
165.12790	1.5
169.10133	1.4
171.11765	2.0
173.13275	4.5
175.11198	6.8
175.14774	1.7
183.11736	1.8
185.13315	1.4
187.14877	2.0
189.11211	1.3
189.16319	1.0
193.12248	26.2
197.13304	1.6
201.16501	1.6
211.13310	29.8
211.15256	2.1
213.14813	1.0
227.12820	2.9
243.21048	1.7
261.22174	5.0
267.15942	8.0
285.22296	0.9
285.73822	1.0
301.22150	1.0
301.25281	4.0
303.23392	1.1
317.24881	1.3
335.25967	4.3
359.25705	1.1
435.32706	2.4
453.33792	3.7
471.34717	3.6
509.36221	1.8
509.88504	0.9
527.37354	19.5
545.38409	100.0
546.38721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66376	0.9
55.01881	1.4
55.05521	5.1
57.03434	3.6
57.07063	1.6
67.05511	7.9
69.07074	7.9
71.04984	0.9
71.08652	4.8
71.52337	1.1
79.05504	6.5
81.03422	1.4
81.07066	12.6
83.08602	4.1
89.84088	1.0
91.05495	4.8
93.07056	6.8
95.08614	8.7
97.06522	2.3
98.98463	3.3
99.08081	2.2
100.33266	0.9
105.07049	6.9
107.08598	7.6
109.06519	7.8
109.10143	2.5
111.08075	1.9
117.07018	1.8
119.08594	8.6
121.10133	5.9
123.08085	14.8
123.10354	1.0
123.11694	1.5
125.09634	1.5
131.08578	1.5
133.10136	9.0
135.08057	6.6
135.11694	2.2
137.09654	1.2
137.87729	1.0
143.08543	1.3
145.10124	3.8
147.11714	5.4
149.09601	1.9
149.13260	2.4
159.11732	2.5
160.92618	0.9
161.13307	1.3
163.11140	1.5
163.14871	1.0
165.12822	1.3
173.13268	1.7
175.14809	5.9
177.12767	3.4
177.16418	1.2
179.14323	22.3
187.11261	1.1
193.12297	1.1
193.15814	1.3
205.15913	3.7
216.06407	2.1
263.19937	1.8
289.21677	5.8
293.21121	3.0
303.26947	1.3
319.22699	1.4
331.26318	13.7
344.83212	0.9
349.27411	6.1
354.77966	1.0
374.30328	1.5
375.28860	1.1
387.28812	4.2
405.30014	100.0
485.27103	1.1
503.27740	2.9
546.31940	2.9
550.58215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19867	0.7
53.03943	4.5
53.68348	0.7
55.01864	3.2
55.05517	21.9
57.03435	8.6
57.07071	1.7
59.04995	0.8
59.81964	0.7
65.03941	2.0
67.05511	49.2
67.30395	0.8
69.03424	2.5
69.07073	11.0
70.06242	1.8
70.06636	1.6
71.04996	3.9
72.20926	0.7
77.03925	1.3
79.05499	42.6
81.03423	32.5
81.07064	46.2
83.04988	9.3
83.08626	14.8
85.02434	1.4
85.02913	18.2
85.06536	1.9
91.05488	36.8
93.07053	45.7
95.04978	18.6
95.08614	29.9
95.57298	0.7
97.02892	2.2
97.06537	3.5
97.10164	4.1
97.98967	0.8
98.21456	0.7
103.05472	1.3
105.04511	1.8
105.07041	27.4
107.04960	3.1
107.08598	19.7
109.06513	3.5
109.10162	11.1
111.04443	1.6
111.08102	6.2
113.06011	1.2
115.05458	1.6
117.07018	6.6
119.08591	21.8
121.06519	1.0
121.10156	18.4
123.08078	2.0
123.11708	3.8
125.09653	3.4
129.07007	8.0
131.08583	14.7
133.06546	1.8
133.10155	12.2
135.08064	1.1
135.11691	9.4
137.09612	2.2
140.16119	0.8
141.07031	1.1
142.07802	2.4
143.08601	3.0
145.10144	7.8
147.08060	2.4
147.11714	11.1
149.09647	4.9
149.13281	4.7
155.08546	2.2
157.10143	9.3
159.11670	3.8
161.13269	3.2
163.11269	1.0
163.14851	1.4
165.12764	2.2
169.10130	1.3
171.11705	1.7
173.13281	4.7
175.11172	7.1
175.14847	2.5
181.10149	1.0
183.11687	1.1
185.13354	1.0
187.14886	2.6
189.11189	1.8
189.16376	0.9
193.12254	30.1
197.13420	1.1
199.14853	1.1
211.13306	37.6
227.12880	2.7
243.21259	1.8
245.22948	0.9
261.22232	5.2
266.26334	0.9
267.15970	7.1
273.21948	1.0
301.25244	3.0
303.23105	1.0
304.65671	0.8
317.24771	1.4
335.25824	6.6
386.42404	0.9
435.32523	2.7
453.33701	2.4
471.34552	2.5
509.36523	1.8
527.37366	16.8
545.38409	100.0
546.38599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
53.04170	1.0
55.01874	2.5
55.05272	1.5
55.05519	19.4
56.47694	1.1
57.03452	9.2
57.07072	1.5
59.87743	1.0
65.03943	3.8
67.05514	48.2
69.03442	2.9
69.07070	11.2
69.93343	4.8
71.04991	4.2
74.11998	1.1
76.83968	1.1
79.05502	45.0
81.03429	33.1
81.07066	46.7
81.21559	1.1
83.04987	7.3
83.08625	17.1
85.02911	14.7
85.06541	3.2
91.04914	1.2
91.05493	36.8
93.07056	40.4
95.04978	17.0
95.08616	27.4
97.02888	1.2
97.06548	3.9
97.10205	5.6
105.07043	24.9
107.04964	3.7
107.08606	19.6
109.06528	4.0
109.10155	9.0
111.08109	6.5
113.05968	1.5
115.05530	1.2
117.07021	8.0
119.08597	19.8
121.06522	1.7
121.10162	18.1
123.08117	2.5
123.11733	3.9
123.49738	1.1
125.09653	4.0
129.07018	8.5
131.08594	14.3
133.06520	1.6
133.10153	12.9
135.11702	8.4
137.09572	2.4
142.07835	2.1
143.08578	2.9
145.10121	10.3
147.08089	2.0
147.11697	14.4
149.09644	3.0
149.13269	3.5
155.08604	2.2
157.10114	9.2
159.11754	5.1
161.13283	4.7
163.14781	2.1
165.12831	1.5
173.13277	4.4
175.11215	7.8
175.14830	1.4
185.13341	1.4
187.14850	1.5
189.11208	2.2
193.10464	1.8
193.12257	31.0
211.13306	31.8
224.45972	1.2
227.12733	2.7
243.21266	1.3
261.22186	4.8
267.16000	8.4
285.22168	1.9
301.25415	3.4
317.24664	1.9
335.25919	4.7
341.24673	1.4
417.31314	1.3
453.33569	2.7
471.34811	4.0
527.37463	17.6
545.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03947	3.5
55.01868	3.4
55.05269	1.4
55.05519	21.7
57.03447	7.1
57.07072	2.3
65.03948	2.3
67.05515	43.1
69.03436	2.2
69.07076	12.7
70.91548	2.5
71.04987	2.4
79.05505	35.8
81.03429	30.2
81.07072	39.8
83.04993	5.2
83.08627	16.8
85.02919	9.3
85.06554	2.7
91.05495	28.5
93.06480	2.0
93.07056	33.1
95.04988	15.2
95.08615	29.2
97.06528	4.3
97.10188	11.4
105.07047	23.8
107.04961	3.3
107.08608	22.4
109.06522	3.9
109.10165	15.7
111.08080	5.5
117.07033	7.9
119.08588	20.7
121.06529	3.7
121.10157	14.9
123.08083	3.5
123.11699	5.8
125.09644	8.0
128.06328	1.3
129.07011	8.5
131.08583	15.0
133.06525	2.0
133.10152	13.7
135.08044	2.2
135.11700	9.2
137.09642	1.3
139.11252	1.5
141.07056	1.7
142.07762	1.9
143.08595	3.8
145.10141	10.1
147.08133	1.6
147.11674	9.9
149.09625	3.0
149.13313	4.2
155.08572	2.1
157.10143	9.1
159.08064	1.3
159.11713	8.1
161.09682	1.3
161.13283	4.9
163.11194	2.2
163.14859	2.3
169.10115	1.8
171.10309	1.2
171.11736	3.1
173.13324	5.2
175.11253	6.0
175.14861	2.7
175.47415	1.1
177.16347	0.9
183.11786	3.1
185.13333	2.9
187.13354	1.0
187.14868	3.5
189.11235	3.5
189.16388	1.6
190.69632	1.1
191.14372	0.9
193.12253	18.1
201.16435	1.7
203.18170	0.8
211.13286	22.5
213.16409	1.2
225.16403	2.0
227.12799	6.0
233.15471	1.8
243.21135	1.6
261.22192	7.9
267.15945	12.8
285.22064	1.9
301.25357	8.9
303.23151	1.1
317.24799	2.0
323.34039	1.0
335.25897	11.1
359.26184	1.9
407.23700	1.1
417.31741	1.2
421.25864	1.8
435.27292	1.9
435.32590	5.1
453.33328	5.4
471.34747	5.8
475.31479	1.0
492.08005	1.1
509.36557	2.2
527.37384	32.8
545.38422	100.0
546.38800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88932	0.9
51.01628	0.9
53.03944	3.4
55.01867	3.8
55.05516	20.8
57.03442	7.0
57.07067	2.0
59.00352	0.9
65.03944	3.2
67.05512	47.0
69.03436	2.4
69.07076	12.3
71.04996	1.9
79.05500	28.2
81.02930	1.2
81.03426	22.0
81.07063	40.1
83.04968	3.5
83.08625	13.2
85.06545	3.1
91.05486	24.8
93.07048	27.3
95.04984	13.1
95.08617	31.6
95.09109	0.8
97.06541	3.2
97.10176	16.4
99.08145	1.3
105.07040	22.1
107.04982	5.3
107.08601	17.4
109.06548	3.9
109.10158	19.5
111.08090	4.5
115.05453	1.7
117.07029	10.2
119.08585	18.3
121.06519	6.1
121.10147	12.7
123.08091	3.3
123.11693	6.0
125.09640	12.4
129.07036	5.9
131.08577	16.8
133.06516	1.3
133.10144	11.9
135.08104	3.7
135.11697	7.3
137.09654	2.3
137.13315	1.4
141.06950	1.7
142.07716	1.3
143.08591	5.9
145.06509	1.0
145.10123	13.7
147.08102	4.0
147.11722	9.9
149.09645	2.3
149.13293	4.2
153.09053	1.3
155.08557	2.7
157.10130	7.1
159.08110	1.3
159.11729	7.7
159.12935	1.4
161.13298	5.5
163.11197	4.0
163.14874	1.9
165.12846	1.7
169.10135	2.6
171.10291	1.6
171.11713	4.9
173.09631	2.2
173.13261	8.0
175.11209	3.1
175.14888	4.1
177.12756	1.2
183.11710	2.7
185.13303	3.3
187.13394	1.1
187.14856	3.7
189.09697	1.3
189.11177	5.9
189.16397	1.4
193.12244	6.4
197.13307	3.9
199.14828	2.9
201.16333	1.9
211.13261	1.8
213.16309	1.1
227.12817	10.1
231.13959	1.1
233.15468	2.1
235.17015	1.4
243.15936	1.8
243.21124	2.2
247.17018	1.3
261.22205	11.8
267.15933	21.6
273.22336	1.4
279.19888	0.9
279.23190	1.7
285.22223	3.4
287.20230	2.4
299.23749	2.0
301.25262	14.9
303.23367	2.8
317.24863	2.1
335.22070	2.4
335.25818	18.9
359.25775	2.7
403.24786	2.5
417.31766	1.8
421.25830	2.8
435.27328	2.0
435.32642	6.1
453.33719	11.1
471.34729	7.7
495.47580	1.3
527.37335	56.0
545.38403	100.0
546.37872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01868	4.7
55.05516	26.1
57.03443	8.6
57.07091	1.5
59.04983	1.2
65.03934	3.2
67.05511	49.7
69.03431	2.7
69.07077	14.8
70.56606	1.2
70.56949	2.8
71.04993	3.9
71.08622	1.1
79.05499	35.1
81.02992	1.8
81.03424	23.6
81.07059	44.9
83.04983	4.2
83.08621	15.5
85.02884	1.3
85.06524	3.1
91.05484	25.5
93.07047	32.0
95.04971	16.6
95.08614	29.3
95.09090	0.6
95.09237	1.1
97.06522	3.7
97.10181	17.3
98.07056	1.2
99.08100	1.5
101.59229	1.0
105.07034	26.4
107.04955	6.1
107.08609	22.8
109.06523	4.2
109.10162	20.5
111.08070	3.5
115.05405	1.6
117.07024	11.5
119.08591	18.5
121.06511	7.3
121.10136	15.6
123.08092	4.4
123.11712	8.0
125.09653	13.6
128.88675	1.1
129.07005	8.1
131.08582	21.1
133.06502	1.5
133.10143	17.8
135.08080	6.2
135.11710	10.5
137.09628	2.1
137.13240	1.5
141.06996	1.6
143.08566	8.5
145.06480	1.6
145.10132	15.7
147.08044	2.9
147.11705	11.7
149.09624	2.6
149.13271	5.5
151.11276	1.5
153.09099	1.7
155.08585	2.2
155.10640	1.2
157.10152	8.4
157.87643	1.1
159.11690	11.3
161.09631	2.4
161.13280	6.0
163.11205	1.7
163.14835	2.1
169.10194	4.0
171.10318	2.2
171.11725	5.0
173.09650	1.9
173.13248	7.0
175.11227	4.1
175.14876	3.4
177.16299	1.4
181.10173	1.3
183.11754	2.8
185.13292	5.1
187.11208	1.3
187.13394	1.2
187.14890	4.6
189.11249	8.2
189.12727	2.3
189.16371	1.9
193.12215	8.8
195.11877	1.8
195.13930	1.4
197.13246	2.0
199.14842	3.1
201.16373	2.1
211.13211	1.6
227.12767	12.8
233.15268	1.1
243.21129	2.9
247.16991	2.1
261.18671	2.5
261.22217	10.2
267.15933	21.3
279.23453	2.1
285.22275	3.3
286.74612	1.2
287.20154	1.7
299.23520	1.3
301.25247	15.9
303.23328	1.7
315.23267	1.2
317.24896	2.4
335.22012	2.1
335.25778	16.5
343.22766	1.4
359.25836	2.4
403.25150	2.1
417.26337	2.2
417.31476	1.9
421.25964	3.4
435.27301	3.4
435.32712	6.8
453.33606	10.3
471.34833	7.9
509.36243	2.5
527.37347	51.9
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
57.07087	4.7
67.05504	10.7
69.07072	15.0
69.14930	7.4
71.08617	4.5
72.08125	1.1
79.05483	3.3
81.06593	1.5
81.07059	21.1
83.08624	3.2
85.10177	2.4
89.06055	1.0
91.05469	2.7
93.07037	6.3
95.08609	30.3
97.02872	1.0
97.10197	1.5
98.21478	1.6
105.07022	6.7
107.08611	5.5
109.02945	0.8
109.06548	1.6
109.10155	26.7
111.11716	1.3
112.75687	0.8
117.07005	2.2
119.08582	5.8
121.06512	0.9
121.10137	4.6
123.11704	21.4
127.07542	1.3
131.08582	2.3
133.10143	8.1
135.11716	4.0
137.13275	16.7
143.08513	0.9
145.10095	4.6
147.11653	6.8
149.13255	2.4
159.11736	1.3
161.13280	2.8
163.14845	1.6
165.16394	17.7
171.11855	1.1
173.13269	1.8
175.14830	3.0
183.11719	0.9
189.16434	1.7
191.10648	2.4
201.12640	1.1
228.00587	0.8
243.13768	1.4
259.24280	2.2
271.16895	1.2
297.44623	0.8
337.25232	1.1
337.45432	0.7
355.26309	100.0
373.27469	7.1
396.29123	1.3
418.84128	0.9
527.36780	0.8
538.85309	0.9
544.39807	1.4
545.38220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51118	1.6
55.05495	4.8
57.07069	5.8
67.05512	11.0
69.07076	17.4
71.08613	5.0
74.09747	2.0
79.05486	4.1
81.07064	23.5
83.08626	4.5
85.10192	1.8
91.05488	3.9
93.07049	7.8
95.08611	36.3
97.02863	2.5
97.10159	1.9
105.07033	6.2
105.86877	2.3
107.08591	6.5
109.06494	3.1
109.10164	31.6
119.08582	5.9
121.10143	5.3
123.11716	26.3
131.08556	5.4
133.10124	9.5
135.11697	5.2
137.13252	22.9
145.10172	3.7
147.11681	11.0
149.13261	2.2
149.66510	1.6
159.11630	2.0
161.13272	2.7
163.14832	2.8
165.16383	20.1
173.13298	1.9
175.14882	3.1
189.16412	2.1
191.10721	3.4
201.12753	1.8
207.17186	1.7
217.12238	1.5
259.24307	2.4
355.26334	100.0
356.26212	1.9
373.22949	3.1
373.27420	44.5
381.75916	1.7
544.49280	1.8
547.10883	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84406	0.1
53.03955	0.3
55.01873	0.6
55.05515	0.4
57.03435	0.2
57.07081	0.4
57.42557	0.1
58.31053	0.1
59.04998	0.1
61.02919	0.3
67.05512	0.3
69.03434	1.6
69.07064	0.5
69.28151	0.8
69.28580	0.4
70.04081	100.0
71.04987	0.2
73.02917	0.4
79.05495	0.2
81.03424	1.7
81.07063	0.3
83.08621	0.5
85.02910	4.6
87.00826	1.6
87.04497	0.2
89.06042	0.5
93.07050	0.2
95.08595	0.2
97.02893	2.1
97.06522	0.3
97.10192	0.2
99.04459	0.6
99.08070	1.1
105.01870	2.1
105.07011	0.2
109.02883	2.2
109.10159	0.2
115.03936	0.4
117.01858	0.2
119.08571	0.1
125.02375	0.2
127.03921	2.9
133.08577	0.2
135.11725	0.2
140.73763	0.1
145.04967	1.2
147.02914	0.2
159.02946	0.6
183.10213	0.4
213.04071	0.2
225.11320	0.6
227.08344	0.7
231.04906	0.7
249.06093	0.2
329.12363	0.3
379.07916	0.2
543.39948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38302	0.2
53.03953	1.5
55.01873	2.1
55.05519	1.6
57.03447	1.2
57.07079	1.0
61.02930	1.0
67.05510	0.4
68.99815	0.4
69.03439	5.3
69.07052	0.6
69.86100	1.3
70.04086	100.0
71.05002	1.1
73.02918	1.5
81.03426	6.2
81.07065	0.5
83.01334	0.3
83.05009	0.2
83.08627	1.9
85.02914	15.4
85.90051	0.3
87.00841	5.8
87.04499	0.4
89.06042	0.9
91.03983	0.4
91.05515	0.3
93.07108	0.4
95.08615	0.6
97.02903	8.1
97.06509	0.3
99.04468	2.9
99.08105	2.7
99.96549	0.2
103.44782	0.2
105.01878	7.1
105.07005	0.3
107.08628	0.5
109.02893	8.1
111.07990	0.3
115.03931	1.2
117.01895	1.0
117.09196	0.3
125.02380	0.6
127.03931	13.2
129.01015	0.3
129.01883	0.8
133.08589	0.5
141.01004	0.3
145.04977	8.7
147.02928	0.7
155.02658	0.3
159.02908	4.8
161.04530	0.7
177.04013	0.4
182.22682	0.2
183.10216	0.9
189.04044	0.5
195.10309	0.3
195.12399	0.3
201.03932	0.3
209.07382	0.5
209.13918	0.3
211.08932	1.0
213.04068	1.0
219.05005	0.4
225.11319	0.9
227.08359	2.5
231.05038	5.0
231.07233	0.4
243.12415	0.5
247.04666	0.9
248.62070	0.2
249.06302	0.9
329.12384	0.8
333.14474	0.2
544.17438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01879	2.5
55.05507	1.2
57.03434	1.3
57.07077	1.0
59.05019	0.3
61.02928	1.2
66.13594	0.3
67.05527	0.3
68.99792	0.7
69.03432	6.2
69.07077	0.8
69.39378	2.0
70.04082	100.0
71.01353	0.4
71.04997	1.3
73.02924	1.8
81.03426	7.5
81.07079	0.8
83.05006	0.5
83.08644	1.5
85.02913	20.0
86.03295	0.3
87.00837	8.0
89.06046	0.8
91.03986	0.9
93.07043	0.3
95.04960	0.3
95.08620	0.5
97.02898	8.8
97.03530	0.5
97.10153	0.5
99.04462	4.0
99.08113	3.0
103.03922	0.3
105.01874	8.0
105.07026	0.3
109.02892	8.6
109.10153	0.5
115.03952	0.9
117.01875	1.0
125.02416	0.6
127.03925	17.4
129.01877	0.7
133.05005	0.5
133.08611	0.3
141.01033	0.4
145.04964	9.2
147.02951	0.6
159.02911	5.3
161.04440	0.7
177.03989	0.3
183.10258	1.0
195.12383	0.9
205.96436	0.3
209.07283	0.6
211.09000	1.2
213.04057	1.2
219.05084	0.5
225.11295	1.2
227.08347	2.3
231.05013	4.8
243.12411	0.7
247.04593	0.9
249.06169	1.1
265.05505	0.4
311.11356	0.6
326.91318	0.3
329.12518	1.2
347.27945	0.4
525.72681	0.4
544.17291	0.7
544.29877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.7
57.03426	5.1
57.07080	92.8
58.04204	10.6
59.05002	35.2
67.05492	20.3
69.07080	13.9
71.08241	6.1
71.08636	100.0
72.05780	14.4
73.02928	6.4
73.06548	12.5
79.05486	12.3
81.07064	26.1
82.07819	5.6
83.08620	10.1
85.10188	79.9
87.04472	24.7
88.05222	4.0
89.06035	40.4
89.37354	3.0
90.01924	52.6
91.05495	6.5
93.07038	10.8
95.04926	4.0
95.08605	12.9
97.06507	3.5
97.10162	6.1
99.11728	9.3
101.05997	3.6
103.07575	19.3
105.07047	6.2
107.08582	6.9
109.10126	5.2
116.08388	4.1
117.07007	4.6
117.09134	8.2
119.08570	7.3
121.10158	7.4
128.93629	2.6
131.08560	5.7
133.08600	17.5
133.10144	5.9
135.08060	3.0
141.16409	9.8
145.10104	3.7
147.10092	3.5
155.17903	3.2
159.11667	3.8
161.84720	2.6
168.16487	3.0
169.15901	7.5
177.11215	6.9
178.07135	5.4
198.19774	3.3
199.20581	11.4
219.17451	3.7
222.09781	13.3
222.17059	3.9
223.15495	3.2
229.49281	2.8
238.16585	3.6
242.22711	3.2
243.23199	8.0
252.18088	5.0
253.16536	3.6
268.17593	3.9
275.20016	5.5
306.29346	2.7
328.16159	14.0
392.33847	17.9
501.61520	2.8
542.53589	3.4
543.23950	4.7
543.37128	27.8
543.48358	5.1
567.81842	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	542.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.3
55.05511	3.2
56.14220	1.0
57.07080	87.7
59.05006	17.1
59.80765	1.1
63.44500	1.1
67.05482	1.5
68.11750	1.1
69.07076	3.0
69.80650	2.2
69.81048	4.6
71.08636	78.7
73.06550	3.2
81.07089	1.3
83.08630	2.4
85.09660	2.0
85.10190	74.5
87.04453	7.1
89.06037	100.0
89.30120	1.3
97.10197	1.3
99.11735	7.0
103.07583	7.1
107.07015	1.6
107.08620	1.4
117.09148	1.7
130.08662	2.8
131.07072	3.3
131.10745	1.8
133.08615	85.3
141.16391	9.7
157.10077	1.1
175.09698	2.1
177.09692	1.6
177.11237	32.8
199.20601	11.7
221.13867	11.3
239.14931	2.2
243.23242	8.0
257.33026	1.2
265.16534	2.4
281.19626	1.5
283.17548	4.0
309.19040	3.2
325.25146	1.3
327.20157	30.8
367.23294	6.9
525.40320	8.7
542.35211	1.7
542.42395	6.6
543.36835	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
52.11530	0.5
53.03930	2.2
55.01874	2.9
55.05518	13.0
56.26701	0.5
57.03416	1.8
57.07057	1.6
59.04990	0.6
59.19436	0.5
59.48558	0.6
65.03916	1.8
66.92222	0.5
67.05511	29.2
69.03442	1.1
69.06742	0.6
69.07076	8.1
69.22300	3.6
69.22707	0.8
71.04972	2.0
71.08601	0.9
73.02927	0.8
77.03918	1.3
79.05500	35.0
81.03410	2.3
81.07063	28.6
83.05002	2.7
83.08626	8.1
85.06524	1.2
85.10197	0.6
91.05486	17.4
93.07053	49.0
95.04985	6.6
95.08614	37.0
96.84424	0.5
97.02890	3.2
97.06550	3.2
97.10144	1.4
99.04471	2.7
103.05440	1.0
105.04500	1.5
105.07043	13.3
107.04972	6.0
107.08603	30.7
109.06501	2.1
109.10163	6.6
111.04433	0.7
111.08075	2.1
115.05430	0.9
117.07035	10.0
119.08601	11.9
121.06522	4.4
121.10159	16.9
123.08048	0.8
123.11721	1.6
125.05997	1.6
125.09622	1.1
128.06282	0.7
129.06979	0.7
130.07800	2.0
131.08578	6.4
133.10153	5.7
135.08066	1.9
135.11702	38.1
137.09637	0.8
139.07571	1.3
143.08583	1.9
145.10132	22.8
147.11751	2.6
149.13264	2.8
153.12836	0.7
155.08591	0.6
157.10201	0.7
159.11638	3.3
161.13268	1.8
163.11197	41.6
171.11713	0.9
173.09572	0.7
173.13307	2.0
175.14864	1.1
181.12251	11.6
185.13286	0.7
187.14815	0.9
189.11140	0.6
197.13202	0.6
209.11772	1.9
227.12801	100.0
228.13084	0.7
243.21143	1.7
261.22183	5.4
280.12854	0.5
299.23734	1.5
317.24927	2.0
433.31012	0.8
451.32370	0.7
502.22211	0.6
525.35736	2.0
543.36859	85.0
544.37073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01881	0.5
55.55210	0.3
57.03445	0.5
60.04520	0.4
61.02932	0.6
65.03943	0.5
67.05489	0.5
69.03448	1.8
69.07090	0.5
70.06593	1.0
71.04998	0.5
71.51919	0.6
73.02916	0.5
79.05495	1.9
81.03405	1.0
81.07072	2.2
82.07369	0.3
83.08624	0.5
85.02912	4.0
85.06538	0.9
91.05493	2.6
93.07048	1.3
94.04208	1.9
94.07413	0.4
95.04992	0.5
95.08625	1.0
97.02912	2.1
97.06559	0.7
99.04446	0.7
99.08169	0.4
100.07605	0.6
103.05486	5.9
105.07039	3.1
106.04172	0.4
107.04966	1.4
107.08612	0.6
109.02882	0.7
109.06513	1.3
109.10187	1.1
115.05502	0.4
117.07034	1.3
119.04991	1.0
119.08591	0.4
121.06531	2.9
121.10160	0.9
122.03669	5.7
123.08047	0.5
125.06046	0.4
127.03944	1.0
128.06242	0.9
128.10706	0.7
129.07013	0.6
131.04947	9.4
131.08543	0.7
133.06511	16.4
135.08070	5.1
137.05995	100.0
143.08578	1.6
145.02899	0.4
145.05072	0.6
145.06503	3.6
147.04451	0.6
147.08052	1.7
149.06023	2.1
151.03902	1.2
151.06427	0.7
151.07567	6.4
153.09183	0.4
156.10297	0.7
157.06496	1.1
159.08051	0.5
160.05235	0.4
163.07565	27.3
165.09184	0.8
167.07114	0.5
171.08093	2.3
174.06810	0.8
174.11296	2.0
175.03972	0.7
175.07565	2.3
177.05516	1.1
177.09123	1.1
179.07030	0.3
181.08675	0.3
188.08301	0.4
189.09114	3.0
203.10683	5.0
207.06471	1.0
209.08102	2.5
210.08464	0.5
221.11797	1.3
235.11192	0.6
236.92455	0.4
263.10620	1.6
272.24500	0.4
275.47778	0.4
290.25409	0.5
295.13327	15.4
305.19058	0.4
308.26755	0.5
327.15952	27.4
344.28787	0.5
345.17014	2.4
368.86545	0.4
430.43130	0.3
479.76236	0.4
487.90622	0.3
542.22498	1.2
542.30475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68907	1.0
53.03938	1.3
55.01862	1.2
55.05511	15.5
56.55141	1.1
57.03440	7.4
57.07067	5.7
58.98848	1.5
59.05005	11.4
66.79635	1.2
67.05508	16.7
69.03429	1.8
69.07072	73.0
71.05005	8.2
71.08625	1.7
71.16634	1.4
71.16947	1.5
73.06554	2.3
77.91018	1.0
79.05494	17.1
81.07060	21.8
81.99803	1.5
82.08504	1.2
83.04962	4.0
83.08624	20.4
85.06542	3.2
87.04450	2.4
87.08129	1.9
88.19453	1.3
89.06030	31.1
91.05491	4.9
93.06493	1.7
93.07051	30.8
93.07628	1.9
95.08058	2.0
95.08613	26.1
97.06535	29.5
99.08072	2.5
101.05987	2.7
103.07567	1.7
105.07039	1.5
107.08605	33.2
109.10173	13.4
111.08096	10.8
111.11741	10.0
115.07601	1.2
116.78026	1.2
117.09131	3.6
131.07040	1.6
133.08615	31.4
135.11700	76.0
149.13275	2.2
149.40869	1.1
153.12753	96.3
157.12271	1.2
158.37015	1.1
171.13809	100.0
175.09698	1.8
177.11209	6.6
191.12885	2.6
197.15387	22.6
199.10736	1.2
207.29019	1.2
211.16844	2.7
212.16458	1.4
213.14922	1.3
215.16475	7.2
221.13861	4.2
227.16380	1.4
228.17383	1.3
229.18015	31.7
239.14919	17.5
255.19608	2.7
259.19040	2.1
279.18054	3.3
287.22162	8.8
297.19159	9.5
303.21661	1.6
337.22165	2.2
347.24478	1.3
391.26932	3.5
482.09299	1.3
483.16376	1.6
507.35410	1.5
525.36499	6.4
542.18555	1.5
542.39050	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
54.22319	1.6
55.01871	4.7
55.05513	17.2
57.03434	3.0
57.07078	7.2
57.19497	2.2
59.04998	3.1
61.02929	1.9
65.03949	2.8
67.05511	43.1
69.03427	9.3
69.07076	32.6
69.17702	17.6
69.18022	2.2
70.06602	3.2
71.04995	6.8
73.02892	2.9
74.15024	1.7
79.05501	28.4
79.54554	1.6
81.03430	4.8
81.07065	100.0
82.06611	1.7
83.04993	6.9
83.08620	14.3
85.02912	22.0
85.06550	36.5
89.06022	2.1
89.79872	2.1
91.05484	18.4
93.03426	3.1
93.07055	54.9
95.04983	3.6
95.08617	85.3
97.02900	6.2
97.06560	11.0
97.10184	7.2
99.08136	13.1
101.06014	3.2
103.05502	2.5
105.04565	2.2
105.07033	28.6
106.04198	6.6
107.04522	4.6
107.07880	2.8
107.08606	50.5
109.02875	4.2
109.06554	4.5
109.10168	66.2
110.99573	1.7
111.08090	14.2
111.11723	6.7
113.09643	6.1
113.48441	2.0
115.07600	3.9
117.07062	4.4
119.08585	20.1
121.06522	10.4
121.10158	39.5
122.06847	2.5
123.08109	3.4
123.11722	29.9
124.03955	1.9
125.06005	4.2
125.09641	5.0
126.37238	1.8
127.03941	7.7
127.11191	4.1
131.08582	7.8
133.10141	18.2
134.03694	1.9
135.11697	35.4
137.05980	5.1
137.09642	2.9
137.13269	10.8
139.11188	8.1
145.05009	2.5
145.10181	10.1
147.11720	16.9
149.05994	11.7
149.13272	26.8
150.06361	5.4
151.03925	13.4
151.11186	2.5
151.14752	1.9
153.09164	2.6
153.12779	5.9
154.09479	1.8
159.11752	7.6
161.05997	3.0
161.13289	14.3
163.14833	19.3
165.12732	4.9
171.13834	8.7
173.13310	4.2
175.14821	16.1
177.05507	7.2
177.16353	8.1
178.05876	3.3
179.07036	6.1
179.14279	1.9
181.08655	4.8
181.15921	2.3
182.08850	2.3
187.14853	3.8
189.16422	5.7
191.17986	2.6
193.15906	6.4
195.17419	2.2
199.16991	2.1
201.16507	3.6
203.17973	4.7
207.17471	2.6
209.08121	24.9
210.08479	15.4
211.16957	9.3
215.18004	4.7
221.19020	2.8
224.04611	1.9
229.13440	2.1
229.17990	66.0
251.20338	2.9
259.24155	3.9
271.24219	7.4
273.11313	2.5
274.11511	2.8
277.25293	8.9
289.25308	28.1
295.26291	14.1
307.26324	54.8
313.27429	30.6
325.27429	29.8
343.28476	67.5
361.29462	4.7
463.99738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.9
51.02369	1.2
53.03946	6.5
55.01869	2.4
55.05515	22.9
57.03435	1.7
57.07080	14.0
58.07409	1.8
58.13023	0.5
59.05001	4.6
65.03942	4.3
67.05509	63.9
67.15824	0.6
69.03427	1.5
69.07069	15.2
70.06598	5.6
71.05006	2.5
71.06931	0.7
71.08633	10.4
72.08161	0.5
72.08977	1.4
73.02921	0.9
73.06554	1.0
74.95308	0.5
77.03928	1.4
79.05499	74.7
81.03439	5.7
81.07063	54.1
83.04990	8.4
83.08622	7.9
85.06534	2.4
85.10187	8.7
86.10537	1.6
88.07639	6.8
89.06046	1.6
91.05488	53.2
93.07050	71.7
95.04977	14.3
95.08614	36.2
97.02919	0.7
97.06530	4.4
97.10175	3.6
98.21596	1.4
99.08105	1.3
99.11722	0.9
99.68260	0.5
102.09196	5.3
103.05481	1.4
103.09491	0.8
105.04546	4.1
105.07038	37.1
107.04980	5.9
107.08601	26.2
109.06542	4.4
109.10160	11.0
111.08098	1.9
111.11736	0.6
115.01599	0.5
115.05449	1.5
117.07027	10.5
117.09129	1.0
119.08591	23.8
121.03401	0.5
121.06500	1.9
121.10153	17.1
123.08098	3.6
123.11693	2.8
125.09618	0.8
127.07590	0.5
128.06210	2.8
129.07016	10.8
130.07753	0.7
131.08582	9.3
133.08638	1.0
133.10144	11.6
135.11705	9.3
136.54538	0.5
137.09668	0.8
141.06985	0.9
141.09119	0.8
141.16454	0.5
142.07735	0.9
143.08569	7.7
144.09355	0.6
145.06567	0.6
145.10130	11.2
147.08073	1.9
147.11696	25.2
149.13252	3.5
151.11243	0.6
155.08569	1.0
156.09227	0.6
157.10182	2.0
159.11690	4.8
161.08376	0.7
161.09613	3.1
161.13251	10.8
163.14822	0.8
169.10181	1.8
171.11696	19.6
173.13283	2.6
175.14893	0.9
179.14326	1.0
181.10220	0.9
183.11751	1.4
185.13284	1.0
187.14893	1.2
189.12758	8.7
197.13292	0.8
199.14842	0.7
199.20586	1.4
200.20952	1.1
207.13820	26.4
223.14694	0.6
225.14903	1.5
243.21149	1.3
256.26373	11.6
257.24423	0.9
257.26913	4.8
258.25192	2.3
259.20517	0.7
261.22073	3.0
275.27930	0.7
281.17618	1.6
283.26401	2.4
284.26608	2.3
284.29617	2.9
284.56989	0.5
285.29877	2.0
311.29480	8.7
312.29779	8.3
312.33109	0.7
317.24850	1.8
335.25946	0.6
431.32990	0.5
449.34149	2.1
467.35403	1.0
473.89517	0.6
485.36224	0.8
504.78391	0.5
523.37781	1.3
524.43066	0.5
540.53589	12.7
541.38995	100.0
541.53577	42.2
542.39282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99341	0.5
57.03446	1.0
61.02915	0.5
67.04245	1.2
69.03430	3.3
70.06623	1.2
71.05000	0.8
72.08183	0.8
73.02921	0.5
81.03429	3.4
82.06590	27.1
84.08147	1.6
85.02914	6.3
87.04476	1.1
89.85127	0.5
91.05486	0.9
97.02895	3.7
98.97614	0.6
99.04480	0.7
100.07629	67.6
101.00903	1.7
101.02380	0.4
101.07924	0.7
102.00996	1.2
109.02888	6.2
113.75685	0.5
115.03941	1.8
116.07012	0.5
119.01945	3.0
119.04954	2.0
120.02058	1.5
121.02885	1.1
127.02481	0.9
127.03931	12.3
128.02623	0.5
128.04314	1.0
128.07076	0.5
130.08659	0.7
131.01901	1.4
132.02026	0.6
133.03450	0.6
135.16437	0.5
143.01958	2.5
144.02052	1.1
145.03491	5.1
145.04967	2.1
146.03583	2.9
146.08145	6.2
147.04410	7.2
149.00955	2.1
155.01935	2.6
156.02077	1.6
157.03500	2.3
158.03635	1.9
161.03008	2.1
162.03128	1.6
167.01912	6.2
167.07014	0.5
168.02083	1.0
169.03485	1.0
170.03667	1.0
173.02988	3.0
174.03119	2.0
175.04500	0.6
182.99605	0.6
184.05057	0.6
185.02977	46.1
186.03142	3.4
186.06084	0.5
187.04507	0.9
188.04672	0.8
197.01414	0.5
197.03110	0.7
198.03099	0.7
200.04710	0.8
201.00722	0.9
203.04031	10.4
204.04213	2.0
204.07272	1.2
208.04572	0.9
209.02979	5.9
210.03165	0.5
211.04553	1.2
215.04004	0.7
216.04095	0.9
217.05701	0.8
219.01596	0.5
221.03050	0.5
221.05157	1.0
222.05296	1.2
222.08258	1.1
223.04530	2.4
227.04066	8.5
228.04236	0.7
228.07152	2.7
230.06677	2.8
232.06985	0.5
233.02983	2.3
235.04561	1.5
235.06682	2.1
236.06808	3.0
237.06129	1.1
239.04030	2.1
240.07198	2.2
241.05627	1.1
245.02917	1.8
245.05144	3.7
246.05356	1.9
246.08263	2.8
247.04640	0.7
248.07715	8.2
251.04028	4.6
253.05583	2.8
253.07817	1.3
254.07848	2.3
257.05081	0.6
258.08310	1.8
263.04056	5.8
265.05579	0.7
266.08661	1.3
269.05215	1.0
270.08286	1.1
271.03152	0.7
272.08383	0.5
273.08014	0.5
275.03970	1.7
276.06876	2.1
281.05148	1.4
281.08243	0.5
282.08414	0.9
288.09470	0.7
292.09558	0.6
293.04935	3.4
294.08243	100.0
295.08319	1.4
300.09363	1.0
302.07901	1.2
302.11301	0.6
311.06140	19.0
312.09323	18.8
319.08786	1.9
320.08972	4.5
320.12704	1.3
329.07184	2.7
330.10413	1.6
330.14346	0.5
335.06027	6.2
336.08060	0.6
348.11478	0.6
349.09848	4.1
350.10083	11.9
351.09613	0.6
353.07169	9.0
366.13187	0.6
368.11414	1.0
372.11487	0.6
379.05344	0.9
392.07764	0.7
397.06189	7.5
398.09375	1.9
410.08350	0.9
415.07260	0.9
416.10611	3.4
447.38922	0.5
524.11584	0.9
542.13086	2.7
542.20264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
54.45594	0.7
55.01877	3.3
55.05520	17.3
55.36443	0.9
56.46958	0.8
57.03441	2.3
57.07067	1.1
65.03944	1.8
67.05181	1.4
67.05511	18.5
69.03437	1.3
69.07075	7.3
71.04984	1.3
71.51961	1.3
71.52325	0.9
77.22272	0.7
79.05506	15.2
81.03436	4.9
81.07066	17.2
83.04990	3.4
83.08629	7.4
85.06535	0.9
88.79717	0.9
91.05492	13.2
93.07055	12.7
95.04970	4.3
95.08615	9.4
97.06535	2.0
97.10181	11.4
103.05443	0.9
105.07029	13.1
107.04967	2.5
107.08594	10.2
109.06563	0.9
109.10156	6.0
115.05456	1.8
117.07033	8.4
119.08591	9.4
121.06506	2.0
121.10178	3.3
123.08103	1.8
125.09640	8.3
128.06248	4.4
129.07010	10.1
131.08571	9.4
133.06511	1.4
133.10141	6.3
135.08089	2.2
135.11726	2.3
141.06963	3.7
142.07799	2.7
143.08565	11.5
145.06516	2.4
145.10141	9.7
147.08069	2.1
147.11687	3.0
149.13240	0.9
153.07082	1.5
153.12715	1.3
155.08585	7.4
157.06493	1.1
157.10130	8.4
159.08061	3.1
159.11739	5.3
161.09593	0.9
161.13350	1.5
163.11212	2.3
166.07800	0.9
167.08582	3.5
168.09511	1.0
169.10144	6.1
171.08142	2.2
171.10368	1.5
171.11647	6.6
173.09647	2.2
173.11841	1.0
173.13286	3.0
179.08592	1.9
181.10115	5.5
183.08182	1.2
183.11664	6.5
185.09615	2.2
185.13246	5.1
187.14824	0.8
189.11252	4.3
192.09262	1.0
193.10178	2.5
195.11671	4.8
197.09659	1.1
197.13368	4.8
199.11203	1.6
199.14859	3.2
207.11729	2.6
209.13297	2.8
211.11235	2.0
211.14821	2.6
213.12810	0.8
213.16341	0.8
219.11613	1.1
221.13289	2.2
223.14871	1.6
225.12770	1.4
227.12747	6.3
233.13266	1.3
235.14870	1.1
249.16490	0.9
252.76932	0.8
257.19083	1.0
275.20172	1.0
279.21170	1.3
295.20560	1.2
297.19089	1.5
297.22168	7.6
299.20126	1.5
311.20059	1.0
315.23111	1.4
323.20209	0.9
337.21457	1.3
351.23221	1.2
353.25079	1.1
413.28604	1.1
421.31171	1.4
431.29388	5.5
439.13861	1.1
441.19330	1.9
449.30524	9.0
453.15115	2.0
467.31610	5.1
485.32889	1.6
487.32166	1.0
505.33395	1.3
523.34113	13.7
541.21173	5.2
541.35303	100.0
542.35651	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01883	3.0
55.05513	19.7
57.03446	3.0
57.07078	10.0
59.05001	3.9
65.03949	2.7
67.05515	26.0
69.03430	6.3
69.07076	100.0
69.37397	8.8
69.37823	7.7
71.05008	4.3
75.40619	2.1
79.05499	25.5
81.03448	4.1
81.07064	95.4
83.04993	4.7
83.08630	14.0
85.02917	26.9
85.06553	59.7
91.05495	13.3
93.07056	45.8
95.04998	2.8
95.08613	64.6
97.02910	9.7
97.06556	11.4
97.10183	6.5
97.38969	2.3
98.21462	4.6
99.08107	19.5
101.06029	2.2
105.07029	21.6
107.08616	51.2
109.02887	3.2
109.06537	2.5
109.10165	51.0
111.08089	11.9
111.11740	21.4
113.09677	5.6
119.08599	24.2
121.06492	2.5
121.10161	35.6
123.11721	35.3
125.09638	10.0
127.03947	6.8
127.11220	3.4
128.96838	1.9
131.08575	3.0
133.10164	17.4
135.11705	49.0
135.12730	3.2
137.13272	9.0
139.11172	23.9
144.09329	2.1
145.04979	4.5
145.10146	7.9
147.11711	16.8
149.05986	3.3
149.13275	24.2
151.11227	2.5
151.14810	5.3
153.12758	38.3
157.12267	11.2
159.11714	12.1
161.13275	11.4
163.14821	14.8
165.12917	3.2
167.14322	3.7
173.13312	4.7
175.14870	7.5
177.05508	3.1
177.16437	8.2
178.05855	2.2
187.14906	3.7
189.16446	3.4
191.18008	4.7
193.15961	3.7
203.18027	4.8
209.08145	7.9
210.08475	6.3
211.17000	16.2
213.18564	5.3
215.18005	3.7
227.20284	3.1
229.17949	15.8
239.20062	4.5
256.90576	2.3
263.23685	3.2
271.24307	7.7
277.25378	8.2
289.25278	31.7
295.26343	35.5
307.13034	2.6
307.26358	69.9
313.27414	17.9
325.27396	93.5
343.28439	49.0
343.32492	3.9
433.16129	2.6
451.17001	3.3
472.94034	2.6
487.32489	4.3
505.34549	3.0
541.09662	2.6
541.26349	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.9
57.03428	2.3
57.07082	55.3
58.06592	0.6
59.04720	1.5
59.05009	28.7
67.05515	5.2
69.07076	4.6
70.06601	11.3
71.08640	54.9
73.02916	1.4
79.05483	4.8
81.07059	5.0
81.88102	0.6
83.08647	4.0
85.10190	44.1
87.04488	1.4
88.07108	0.8
88.07643	14.3
89.06044	9.4
91.05499	3.1
93.07063	4.4
95.04987	1.0
95.08620	5.7
96.30279	0.6
97.10183	1.8
98.20759	1.0
99.11749	6.0
101.06073	0.6
101.09674	2.7
102.09197	12.4
103.07594	3.8
105.07055	6.4
107.08627	1.2
107.35791	0.7
109.10157	1.5
116.07110	1.1
117.09148	9.0
119.08559	1.3
121.10132	1.5
123.08070	0.7
127.98766	0.7
127.99748	0.7
129.07001	0.6
133.07788	1.0
133.08636	9.0
133.18582	0.6
141.16370	5.9
145.10147	1.0
147.10219	1.0
147.11636	1.3
151.09654	2.5
161.11731	1.0
171.11746	0.9
191.12845	4.3
199.20587	13.6
207.13768	1.3
209.13896	2.5
240.23271	1.8
249.16954	1.6
256.26379	35.1
257.24789	19.6
267.18149	1.6
274.27237	3.4
283.26318	9.3
284.29489	6.8
299.58325	0.7
311.29474	34.2
315.29001	2.2
327.20032	1.4
499.73984	0.7
523.42218	1.4
540.53552	100.0
541.38892	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	541.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43351	0.2
54.20269	0.2
57.03438	0.3
61.85461	0.3
69.03423	0.7
69.07053	0.3
70.06591	0.3
71.37130	0.3
76.20084	0.3
79.05490	0.3
81.03422	0.7
81.07036	0.3
85.02908	2.0
86.73677	0.2
87.04454	0.3
95.08600	0.8
97.02898	57.7
109.02869	0.9
109.10170	0.4
113.05871	0.3
115.03880	0.2
118.97202	0.3
121.02880	7.7
127.03925	100.0
128.04317	0.3
128.69516	0.2
133.02890	0.3
147.04469	0.3
149.13336	0.3
151.03940	1.2
165.70947	0.3
217.05006	4.3
220.96217	0.3
235.05991	1.4
253.07080	1.1
270.24960	0.2
289.09171	3.8
502.75540	0.3
523.26776	0.3
541.28241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
53.65619	2.2
55.01857	5.5
55.05515	13.4
57.03416	3.4
57.07061	6.1
59.04987	3.4
61.02925	2.3
62.09966	2.5
65.03947	3.5
67.05517	25.2
69.03432	21.1
69.07067	12.5
71.04994	7.4
71.51911	2.2
75.82088	2.2
79.05499	15.6
81.03415	16.7
81.07057	35.7
83.04996	11.6
83.08637	5.5
85.02908	33.6
85.06549	21.0
87.00822	10.0
87.04466	3.0
91.05499	13.1
93.07045	29.9
95.04958	12.2
95.08604	33.4
97.02905	14.8
97.06528	11.3
97.10145	5.2
99.04446	5.1
99.08102	5.5
105.01864	7.4
105.07037	21.8
107.04926	4.6
107.08598	28.3
109.02872	10.5
109.06534	6.6
109.10152	20.9
111.08089	19.1
113.05984	3.8
113.09626	5.5
113.48473	2.5
117.07008	4.7
119.04950	3.0
119.08591	27.9
121.06481	11.9
121.10154	36.0
123.04430	11.7
123.08078	4.9
123.11688	11.5
125.09634	17.6
127.03931	15.6
127.07557	5.4
131.04900	3.2
131.08548	11.7
133.10114	16.0
135.08049	11.2
135.11697	11.2
137.05025	2.1
137.05977	14.2
137.09619	12.5
139.11191	4.3
143.08557	6.4
144.09247	2.7
145.04962	6.0
145.10138	17.9
147.08005	4.4
147.11676	11.5
149.09621	22.3
149.13261	5.1
151.11191	10.0
153.09119	21.8
157.06543	3.1
157.10136	8.0
159.02895	3.7
159.08064	3.7
159.11694	13.5
161.09584	6.8
161.13225	3.3
163.07523	3.2
163.11186	10.2
163.14847	5.7
165.09058	4.0
167.07082	3.9
167.10699	3.4
169.10103	3.5
171.11708	4.9
173.09618	2.8
173.13292	22.3
175.11195	8.8
175.14711	3.2
177.05547	4.2
177.09097	2.9
177.12787	5.4
179.10686	8.1
181.12270	2.9
185.13306	6.0
187.11205	6.3
187.14774	14.1
189.12758	9.5
189.16396	3.6
191.14348	12.3
195.11855	2.6
197.13275	3.6
199.14821	5.3
201.12752	10.4
203.14427	3.1
205.12265	3.4
205.15875	3.8
207.13824	6.4
210.11386	2.8
215.14357	5.2
215.17946	3.5
217.15919	5.6
219.13846	7.6
221.59480	2.5
229.19418	5.5
233.15359	5.4
239.15532	4.1
239.17857	4.6
247.20538	5.5
257.19064	14.8
275.20071	100.0
293.21136	74.6
380.28845	2.7
383.86179	2.5
403.17545	3.2
455.22339	6.8
481.08499	3.1
487.23270	2.8
497.23352	6.5
541.21887	17.0
541.29553	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.05509	22.9
57.03439	5.0
57.07086	14.2
59.05009	5.3
59.39896	3.2
61.02921	3.2
65.03947	3.2
67.05511	45.5
69.03416	10.9
69.07075	75.4
69.40690	23.3
70.06564	3.2
71.04997	8.8
79.05496	29.1
81.03410	10.2
81.06595	5.5
81.07059	100.0
81.48339	2.7
83.04994	13.9
83.08611	11.6
85.02914	25.3
85.06550	99.4
91.05476	31.8
93.06486	4.7
93.07052	71.5
95.04981	19.3
95.07986	4.8
95.08611	85.1
97.02888	10.5
97.06531	20.3
97.10152	7.7
98.21478	6.8
99.04446	10.4
99.08081	11.9
101.06046	2.9
102.49931	3.6
105.04533	3.1
105.07043	52.9
107.07901	3.4
107.08609	58.0
109.02881	4.4
109.06502	10.1
109.09474	5.5
109.10165	68.6
111.04485	2.8
111.08080	8.1
111.11710	12.9
113.06010	4.4
113.09646	4.7
117.07003	7.9
119.08580	50.3
121.02851	4.4
121.06509	7.6
121.10158	54.7
123.08073	4.8
123.11713	21.6
125.09628	15.6
127.03911	9.0
131.08586	26.6
133.10146	67.9
135.08070	5.0
135.11694	38.9
136.07571	2.8
137.09599	5.9
137.13228	5.8
139.11177	18.5
143.08542	5.4
143.10686	4.1
145.04990	5.9
145.10141	20.9
147.04378	6.8
147.11700	35.9
149.09602	4.8
149.13260	23.2
151.11176	6.7
155.10689	5.6
157.10114	8.3
157.12239	8.9
159.11703	27.9
161.13287	15.5
163.11232	6.1
163.14809	11.2
164.07135	6.1
165.12775	6.4
167.07001	3.3
171.11717	7.2
173.13312	16.6
175.11150	5.0
175.14813	16.3
177.12724	5.3
177.16396	10.2
181.04965	4.0
181.12228	3.7
185.13278	6.6
187.14861	17.1
189.16338	10.0
193.15915	10.0
195.13834	5.2
199.14827	6.0
201.16376	6.9
203.17999	7.6
205.15884	3.7
207.17543	3.4
211.16994	18.6
213.16400	11.3
215.18004	3.7
227.18013	6.2
257.22794	4.6
259.88602	2.9
265.12125	3.1
269.22690	16.8
275.23788	18.6
275.26236	3.5
287.23734	27.0
293.24713	15.8
303.04892	7.8
304.05347	3.2
305.24786	54.4
323.25821	38.1
341.26880	32.7
359.27948	30.9
430.15121	3.3
539.08655	4.8
539.18152	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	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.1
55.05513	28.0
57.03425	15.3
57.07082	50.2
59.04972	5.9
67.05507	46.0
69.07066	22.1
69.19125	36.9
71.04995	5.1
71.08628	34.2
79.05492	38.0
81.03420	7.0
81.07059	50.4
83.04989	8.6
83.08617	23.2
85.10176	16.4
89.06010	8.9
89.14010	3.3
89.31921	3.7
91.05475	21.9
93.06563	4.6
93.07059	48.9
95.04968	7.9
95.08614	62.1
97.10148	7.8
98.20807	7.5
105.07022	20.4
107.04965	10.4
107.08586	26.9
109.06497	5.9
109.10165	18.6
111.04459	3.8
117.07015	14.8
119.08587	25.4
121.06559	6.7
121.10123	12.6
123.11753	7.8
125.05940	4.4
126.92354	3.5
129.06966	8.4
131.08543	13.2
133.10158	10.1
135.11699	49.2
143.08562	10.0
145.10136	29.9
147.11725	8.7
155.08530	9.3
157.10147	6.5
163.11201	41.3
167.08536	4.0
169.10120	8.4
171.11646	5.1
179.08617	3.7
181.10123	7.0
181.12213	11.1
183.11688	9.7
195.11659	10.9
197.13287	4.1
209.11659	10.7
209.13391	6.9
223.14818	4.5
227.12810	82.4
234.34482	4.0
239.23608	5.2
283.15430	62.9
295.20822	4.9
303.20892	3.7
313.27396	100.0
345.22079	3.7
359.30527	3.6
418.21808	4.6
429.31512	3.8
447.32532	9.2
465.33789	7.1
521.38336	85.0
539.37457	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33952	2.1
55.01868	8.2
55.05512	23.5
57.03435	17.0
57.06828	4.1
57.07085	48.7
59.04995	2.7
67.05514	28.7
69.07060	10.1
71.05012	2.9
71.08639	31.5
79.05502	24.1
81.03424	10.9
81.07066	29.6
83.01345	9.9
83.04975	11.0
83.08628	17.7
85.02914	5.2
85.10181	18.1
89.06065	3.1
90.69066	2.3
91.05485	14.4
92.05888	2.7
93.07048	23.7
95.04986	8.8
95.08626	31.0
97.06552	5.9
97.10177	7.0
98.34091	2.2
105.07062	9.5
107.04968	9.8
107.08598	14.1
109.06541	7.3
109.10200	11.9
111.04445	4.2
111.08085	5.4
116.07058	3.3
117.07022	6.6
119.08612	11.9
121.06510	3.7
121.10174	5.3
123.08112	7.3
123.11742	3.2
131.08554	4.9
133.10220	3.0
135.08046	2.9
135.11732	17.7
145.10168	14.1
153.12746	3.6
163.11195	25.9
165.62418	2.3
169.10049	3.2
175.82237	2.5
181.12263	7.0
191.10703	6.5
209.11693	12.1
227.12808	19.5
229.44058	3.0
239.23753	6.8
283.15427	86.5
303.94138	2.5
313.27402	100.0
421.94873	2.4
521.38446	66.5
539.39160	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	540.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.5
53.03934	1.6
53.57473	0.4
55.01865	2.0
55.05498	0.5
57.03423	0.8
59.05008	0.5
65.03955	3.0
67.05512	2.2
69.03431	0.9
69.07074	0.9
70.06580	0.7
71.04999	0.9
71.51419	0.7
72.08156	0.6
75.04497	2.6
75.61995	0.5
78.04708	2.2
79.05494	2.1
81.03413	1.0
81.07065	2.7
83.04969	0.6
84.08106	0.5
85.02920	3.8
85.06508	0.9
86.09707	0.6
89.03893	0.9
89.06024	1.1
91.05492	11.8
93.03416	10.8
93.07063	6.1
94.52395	0.5
95.04979	4.5
95.08595	1.7
97.02911	0.8
97.06531	2.6
103.05472	5.0
105.03414	0.7
105.04533	0.9
105.07055	2.7
105.94555	0.4
106.04189	25.5
107.04951	1.8
107.08624	1.0
109.06477	1.3
109.10144	1.9
110.10512	0.7
117.03391	1.7
118.04160	0.8
119.04944	1.0
119.08595	1.1
121.06522	27.0
121.10163	1.0
122.07336	0.8
123.04454	0.7
123.08089	1.6
123.11687	0.7
124.05233	1.0
125.06006	8.3
125.09663	0.6
127.03963	1.0
131.04906	1.3
133.06476	0.5
133.10120	1.4
134.03647	3.7
135.04427	0.8
135.11708	0.7
137.05991	5.0
138.06802	0.8
139.07584	2.2
145.02878	1.6
145.10197	0.6
147.04417	1.4
148.05156	2.8
149.06000	39.9
150.06667	0.5
151.03912	1.0
151.07556	2.0
153.05464	2.3
153.09122	11.5
156.00462	0.4
161.05995	1.0
163.03899	1.1
163.07574	2.1
166.06255	1.4
167.07036	3.4
174.06752	0.5
177.05495	21.9
181.08611	18.5
189.09158	0.7
190.00854	0.6
191.07074	2.9
192.35069	0.5
195.06589	0.8
198.85783	0.5
201.09200	0.5
208.01868	0.6
209.08115	100.0
210.08508	0.5
219.10178	3.7
223.04250	6.5
229.17896	0.9
230.18379	0.5
240.90581	0.5
291.00333	0.5
295.06711	0.5
312.09073	0.8
324.26089	0.7
358.16626	0.5
540.27148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.5
53.03934	1.6
53.57473	0.4
55.01865	2.0
55.05498	0.5
57.03423	0.8
59.05008	0.5
65.03955	3.0
67.05512	2.2
69.03431	0.9
69.07074	0.9
70.06580	0.7
71.04999	0.9
71.51419	0.7
72.08156	0.6
75.04497	2.6
75.61995	0.5
78.04708	2.2
79.05494	2.1
81.03413	1.0
81.07065	2.7
83.04969	0.6
84.08106	0.5
85.02920	3.8
85.06508	0.9
86.09707	0.6
89.03893	0.9
89.06024	1.1
91.05492	11.8
93.03416	10.8
93.07063	6.1
94.52395	0.5
95.04979	4.5
95.08595	1.7
97.02911	0.8
97.06531	2.6
103.05472	5.0
105.03414	0.7
105.04533	0.9
105.07055	2.7
105.94555	0.4
106.04189	25.5
107.04951	1.8
107.08624	1.0
109.06477	1.3
109.10144	1.9
110.10512	0.7
117.03391	1.7
118.04160	0.8
119.04944	1.0
119.08595	1.1
121.06522	27.0
121.10163	1.0
122.07336	0.8
123.04454	0.7
123.08089	1.6
123.11687	0.7
124.05233	1.0
125.06006	8.3
125.09663	0.6
127.03963	1.0
131.04906	1.3
133.06476	0.5
133.10120	1.4
134.03647	3.7
135.04427	0.8
135.11708	0.7
137.05991	5.0
138.06802	0.8
139.07584	2.2
145.02878	1.6
145.10197	0.6
147.04417	1.4
148.05156	2.8
149.06000	39.9
150.06667	0.5
151.03912	1.0
151.07556	2.0
153.05464	2.3
153.09122	11.5
156.00462	0.4
161.05995	1.0
163.03899	1.1
163.07574	2.1
166.06255	1.4
167.07036	3.4
174.06752	0.5
177.05495	21.9
181.08611	18.5
189.09158	0.7
190.00854	0.6
191.07074	2.9
192.35069	0.5
195.06589	0.8
198.85783	0.5
201.09200	0.5
208.01868	0.6
209.08115	100.0
210.08508	0.5
219.10178	3.7
223.04250	6.5
229.17896	0.9
230.18379	0.5
240.90581	0.5
291.00333	0.5
295.06711	0.5
312.09073	0.8
324.26089	0.7
358.16626	0.5
540.27148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.01865	6.2
55.05520	16.1
57.03440	7.2
57.07067	6.8
59.04977	4.9
63.47953	2.4
67.05511	37.4
67.22643	3.3
69.03442	15.0
69.07074	40.1
69.15607	28.9
70.06591	4.3
71.04984	9.4
79.05492	29.3
81.03423	14.3
81.06592	5.4
81.07065	100.0
83.04975	18.6
83.08610	11.8
85.02905	24.7
85.06561	33.6
86.09713	5.1
91.05484	21.0
93.07057	46.6
95.04974	67.7
95.08615	72.9
97.02886	12.2
97.06529	31.2
97.10178	6.9
98.21490	5.5
99.04462	25.0
99.08088	28.3
100.11244	7.4
105.07040	31.3
107.04974	5.0
107.08586	30.3
109.02866	5.1
109.06519	11.9
109.10165	41.2
111.08073	8.4
111.11727	9.1
113.06035	15.1
113.09639	6.0
117.07014	9.3
119.04951	4.9
119.08572	24.5
121.06528	6.7
121.10149	36.4
123.08042	5.1
123.11704	12.7
125.05996	3.1
125.09634	6.8
127.03903	17.2
127.11203	3.8
128.06213	3.0
131.05019	4.8
131.08574	11.8
133.10168	25.2
135.08051	8.9
135.11703	20.8
137.06026	8.6
137.09586	2.8
137.13210	6.6
139.11198	7.7
143.08540	6.8
145.04955	3.7
145.10129	25.7
147.04359	16.4
147.11699	17.0
149.09521	3.2
149.13281	14.1
151.11148	3.8
157.10150	6.7
159.11726	15.2
161.13245	6.9
163.11189	10.3
163.14850	7.4
168.17506	6.8
169.17061	3.0
171.11699	3.0
173.13217	7.0
175.14819	7.4
177.05482	4.0
177.16438	19.9
182.15378	3.4
185.13318	3.5
187.14847	8.1
189.09065	4.1
189.16432	7.1
195.17465	13.8
199.14781	3.7
201.16440	4.5
213.16432	6.6
213.18500	27.3
217.19518	3.0
222.10963	2.9
269.22766	7.3
275.23654	4.7
287.23691	21.6
287.87210	3.0
293.24622	6.4
305.24765	67.3
323.25891	20.4
341.26886	65.2
359.28033	12.2
449.16113	3.1
460.11865	3.5
475.14188	5.2
493.15048	8.0
521.13855	3.7
539.30249	12.1
539.41565	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	537.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.05519	19.9
57.03442	7.5
57.07082	43.0
65.03919	3.3
67.05189	3.1
67.05513	45.7
69.07061	12.5
71.08630	28.3
71.53152	4.7
73.61679	2.9
74.39556	2.6
79.05090	3.0
79.05502	53.4
81.03416	5.1
81.07063	40.7
83.04980	10.4
83.08611	10.7
85.10190	16.9
88.08543	3.5
91.05489	46.1
93.07052	51.6
95.04983	16.9
95.08616	29.3
96.26140	2.7
97.06553	3.0
97.10158	5.7
105.04527	3.0
105.07027	35.7
107.04939	5.3
107.08585	10.0
109.06495	3.9
109.10149	12.5
117.06992	4.3
119.08569	19.5
123.08105	4.2
129.07024	11.4
133.10124	8.9
143.08603	7.8
145.10150	14.0
147.11684	31.3
161.13258	8.9
161.44020	2.8
171.11719	26.1
189.12729	7.2
207.13828	23.5
281.17484	56.2
281.29517	32.8
282.27927	99.0
299.30554	24.0
311.39661	2.9
313.27371	58.3
519.40485	100.0
537.39636	4.0
537.53345	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	538.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.3
57.07079	1.1
59.05022	1.1
60.04548	0.8
66.28918	0.7
67.05514	4.6
69.03443	19.9
69.07044	0.8
69.18930	6.4
71.01338	0.7
71.05002	3.6
73.02936	0.9
79.05515	4.3
81.07042	1.2
83.04986	1.4
83.10086	0.6
85.02919	14.3
85.06561	34.5
87.04488	13.2
91.05493	3.6
93.07059	4.6
95.04992	1.6
97.02912	14.5
99.08108	1.6
105.07056	3.2
107.04958	3.1
107.08610	5.6
109.02888	1.0
109.06522	1.6
111.04449	4.4
115.03947	15.5
117.07034	1.5
119.08620	4.5
121.06525	3.8
121.10172	5.6
123.04427	1.2
125.06018	1.9
127.04007	1.5
129.07034	1.4
131.08592	18.6
133.04012	1.3
133.04993	17.3
135.11723	2.4
137.09613	2.1
143.07048	1.0
145.06624	0.8
145.10143	10.5
147.08122	1.7
149.09650	20.7
150.07648	2.6
160.80956	0.7
163.07571	1.0
163.11221	9.2
165.09160	2.5
167.10701	13.9
173.09636	2.6
179.10840	1.2
191.10701	25.5
192.42686	0.8
197.11703	0.8
209.11780	32.3
227.12828	100.0
555.30463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.1
57.03426	4.5
57.07080	100.0
59.04719	4.1
59.05006	71.9
69.07071	4.0
71.08638	72.6
71.52927	3.6
79.05516	2.4
83.08644	3.8
84.76852	2.2
85.10188	60.8
93.06964	2.8
95.88148	2.7
97.10184	3.0
97.60644	2.2
99.11761	13.6
101.09635	3.9
113.13272	6.8
117.09138	27.7
119.08628	2.3
133.10112	2.5
144.05154	2.3
155.17943	8.5
175.13283	6.4
181.05498	2.2
213.22130	20.2
256.26395	2.5
271.26331	22.6
280.72952	2.6
329.31046	2.8
453.21649	2.7
521.44006	3.6
538.52301	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	539.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11107	0.4
53.03947	0.4
55.01851	0.4
55.05518	2.3
57.03429	0.5
59.05012	0.4
65.45171	0.3
67.05515	2.4
68.99790	0.5
69.03417	1.2
69.07070	1.9
71.04978	0.5
71.05847	0.7
74.06024	0.4
79.05499	2.0
81.03419	1.7
81.07062	3.9
83.04979	1.0
83.08601	1.9
85.02898	2.3
85.06525	0.7
87.00822	0.4
89.06059	0.4
91.05480	1.3
93.07050	3.3
95.04975	1.0
95.08623	2.6
97.02879	1.0
97.06552	2.1
97.10148	0.6
99.04456	0.9
100.07607	0.5
100.11264	2.3
103.05474	0.5
105.04536	0.4
105.07043	2.0
107.04940	0.8
107.08604	2.3
109.02863	1.3
109.06528	0.5
109.10152	2.1
111.04424	1.4
111.08095	0.6
118.04156	1.5
119.04954	0.9
119.08608	1.5
121.02869	1.6
121.06548	0.6
121.10155	1.7
123.11685	0.9
127.03903	1.7
128.07108	0.8
131.04973	2.6
131.08595	0.4
132.05698	1.1
133.06491	0.5
133.10153	1.0
134.06024	0.6
135.07979	0.6
135.11691	0.8
137.05971	0.9
137.13295	0.5
143.08484	0.5
145.02855	0.6
145.06613	0.4
145.10136	0.8
147.04454	1.1
147.11664	0.9
149.02393	0.5
149.06030	0.6
149.13278	3.1
150.13570	1.1
151.07495	0.5
153.01881	0.7
157.06471	0.7
158.03566	0.5
159.11690	0.9
162.03117	1.1
163.03940	0.4
163.11189	0.5
165.05449	0.6
167.07016	1.0
170.03638	0.5
173.06017	0.5
173.09811	0.4
177.05522	0.6
179.06998	0.6
180.07800	0.5
182.15405	3.0
183.02902	1.6
183.15753	0.7
184.05154	0.6
184.16940	1.6
185.05965	0.6
187.03922	2.2
191.07051	0.6
192.07784	0.9
197.06052	0.6
200.04701	2.1
202.06224	0.5
208.05330	0.4
210.14899	2.8
211.15178	1.0
213.05527	1.0
215.03387	9.0
221.80806	0.4
227.03488	0.8
228.04309	1.2
229.04988	2.4
230.05792	2.0
233.04488	2.2
240.04210	1.0
243.02957	0.9
245.04366	0.6
255.06570	1.2
257.04459	6.1
258.05164	1.8
266.21182	1.5
267.21457	0.5
268.03656	0.7
269.04453	1.3
271.02423	7.4
271.05606	0.8
283.06091	1.4
285.04016	1.4
286.01517	0.6
286.04736	11.7
294.20676	1.6
295.20923	1.1
299.05530	1.1
301.03720	1.3
301.07065	23.6
314.04224	5.0
315.04895	0.5
329.06570	100.0
330.06586	0.9
337.21149	0.6
338.21698	0.6
355.22437	0.5
377.23026	0.6
489.11826	0.9
502.35419	0.4
509.14618	2.6
509.20935	0.4
520.37152	0.9
521.14423	0.6
521.37665	2.2
538.38257	2.7
539.26050	0.5
539.38757	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	537.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01868	3.7
55.05511	3.2
57.03440	3.6
59.05009	1.2
61.02924	2.3
67.05499	3.5
68.99782	1.7
69.03437	23.5
69.07082	6.3
70.05139	3.8
70.06599	0.9
71.04607	1.4
71.04998	24.8
73.02909	2.8
79.05508	4.6
81.03425	14.6
81.07058	11.8
83.04984	5.2
83.08627	1.4
85.02911	32.6
85.06538	1.8
87.00835	10.3
87.04475	0.9
91.03955	1.0
91.05487	3.3
93.07058	8.0
95.04980	5.3
95.08608	7.1
96.54137	0.9
97.02899	10.3
97.06536	10.0
99.04482	5.6
99.08109	3.4
103.03952	1.0
105.01859	6.7
105.07027	7.3
105.74188	0.9
107.08613	8.3
109.02897	15.5
109.06525	2.8
109.10166	10.7
111.04429	1.4
111.08084	2.5
111.11731	1.2
117.01839	1.5
119.08569	5.7
121.10150	11.0
123.08069	3.8
123.11752	2.0
125.05997	1.5
125.09635	7.6
127.03928	100.0
127.11201	31.9
129.01823	2.1
131.08591	3.0
133.10138	4.4
135.08061	2.4
135.11696	2.5
137.05978	4.1
137.09636	24.3
139.11177	3.6
143.10715	0.8
145.04985	6.8
145.10121	3.2
147.02933	2.0
147.08078	1.1
147.11696	5.0
149.09636	31.0
149.13269	1.3
151.11166	1.9
153.09113	3.2
153.12680	0.9
155.08698	1.1
155.10675	29.0
157.10100	1.9
159.02910	3.9
159.06436	0.7
159.11772	1.0
163.11188	2.7
164.12053	0.8
165.12758	2.5
167.10689	36.8
173.13182	1.1
175.11140	1.9
175.14828	1.9
177.05527	1.2
177.12805	0.9
177.16382	0.9
179.10696	0.9
183.13945	0.8
185.11734	4.9
187.14941	1.1
189.16383	2.6
193.15910	2.8
197.96872	0.9
199.14903	1.1
205.15872	4.7
207.17490	2.4
217.15907	6.0
223.16945	21.5
231.05064	4.0
235.16949	52.1
253.18010	47.2
271.19064	85.2
272.19604	1.0
289.20154	5.5
303.23145	2.1
339.25327	1.0
341.14517	0.8
345.06046	2.4
357.08163	1.3
375.10501	3.8
378.71454	1.1
433.16742	1.1
519.24036	3.5
531.97839	0.9
537.29315	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01871	4.7
55.05513	3.4
57.03437	4.8
61.02926	3.5
67.05500	4.7
68.99791	2.9
69.03441	26.8
69.07093	9.8
70.30565	1.5
71.05004	25.8
73.02902	3.7
79.05505	4.1
81.03433	16.2
81.07069	15.4
83.04993	5.1
85.02916	41.8
85.06544	2.1
86.81750	1.6
87.00848	15.6
91.05461	2.8
93.07056	11.1
95.04993	3.8
95.08619	11.1
97.02899	14.0
97.06550	12.8
97.10233	1.3
99.04465	7.7
99.08104	3.4
103.03944	1.5
103.26865	1.3
105.01897	7.2
105.07053	7.6
107.08588	10.4
109.02890	22.1
109.06524	4.7
109.10194	8.1
111.08100	2.9
117.01895	1.4
117.07053	1.4
119.08601	6.3
121.10165	15.1
123.08065	4.0
123.11739	1.8
125.09653	9.5
127.03935	100.0
127.10302	2.5
127.11211	37.6
128.60918	1.3
129.01866	1.6
131.08565	2.1
133.10156	5.3
135.08060	1.4
135.11696	4.0
137.05997	5.3
137.09647	31.9
139.11227	3.4
141.01822	1.7
142.01001	1.2
145.04994	7.2
145.10139	3.7
147.02974	2.0
147.04327	2.1
147.11746	9.8
147.12756	1.7
148.50334	1.4
149.09648	40.0
149.13293	2.1
153.09123	2.9
153.12750	2.3
155.10699	34.6
159.02939	5.7
159.11729	3.4
163.11160	3.7
165.12801	2.1
167.10703	57.3
175.11227	2.5
175.14851	1.7
177.05528	2.5
185.11794	3.6
189.16431	5.6
193.15919	4.2
199.14767	2.2
205.15927	4.9
207.17462	3.5
213.03972	2.0
217.15994	6.5
223.16974	38.0
231.05025	3.8
235.16966	72.9
236.17320	1.7
253.18040	87.1
271.19077	78.9
289.20120	8.7
345.06100	2.5
375.10556	2.4
433.17252	1.3
519.09155	4.4
519.24237	2.2
537.10205	3.3
537.28845	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01860	1.7
55.05526	1.3
57.03430	2.5
61.02916	1.5
67.05504	1.5
68.99776	1.4
69.03434	11.5
69.07072	4.2
69.36848	4.7
70.06586	0.7
71.04601	1.0
71.04994	11.3
72.08154	1.1
73.02919	1.0
79.05491	2.4
81.03417	9.3
81.07061	7.7
83.04980	2.6
83.08620	1.1
85.02908	15.6
86.09695	0.7
87.00823	3.9
87.04440	0.7
91.03986	0.8
91.05486	2.0
91.72258	0.6
93.07049	5.0
95.04971	2.4
95.08614	3.8
97.02894	6.9
97.06530	5.5
97.07094	0.7
98.20775	0.8
99.04456	2.9
99.08099	2.6
101.20032	0.6
105.01884	3.0
105.07072	4.1
107.08599	5.4
109.02891	10.3
109.06580	2.6
109.10162	6.5
111.08118	1.3
116.22797	0.5
117.01919	0.8
117.06915	0.5
119.04916	0.7
119.08563	3.6
121.06500	0.9
121.10157	5.4
123.08070	1.3
123.11723	1.3
125.02377	0.8
125.09660	4.0
127.03925	100.0
127.11206	19.8
127.12151	1.2
129.01825	0.7
129.07086	0.6
131.08595	1.9
133.10135	3.6
135.08073	1.1
135.11702	1.7
137.05962	1.6
137.09615	9.8
139.11194	2.4
145.04935	4.1
145.10153	1.5
147.04454	0.8
147.11719	3.7
149.09637	19.5
149.13266	1.0
151.03923	2.2
151.07687	0.6
151.11163	0.8
153.09135	1.9
155.10684	13.1
159.02904	2.4
159.11748	0.7
161.09673	0.8
163.11229	1.9
165.12784	1.6
167.10695	16.1
173.11807	0.9
173.13196	1.0
175.14842	1.2
177.05515	0.7
185.11726	3.9
189.16411	2.3
191.07169	0.5
193.15901	0.9
205.15956	2.3
207.17442	1.3
213.03944	1.8
217.15869	3.1
223.16957	10.4
231.05064	2.2
235.16945	24.4
253.18005	19.6
271.19058	50.1
289.20117	9.4
303.23245	0.8
310.29153	0.6
317.07187	0.6
327.05075	0.8
345.06113	3.2
357.08160	1.0
357.13379	0.8
360.08649	1.4
375.10828	9.8
519.24231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01866	1.1
55.05508	0.8
57.03435	1.5
59.04999	0.5
60.30550	0.2
61.02921	1.1
67.05523	1.6
68.99789	1.2
69.03090	0.5
69.03436	6.9
69.07079	2.1
70.06589	0.4
70.86368	0.7
71.05001	6.2
72.08151	0.3
73.02933	0.6
79.05502	1.7
81.03424	6.5
81.07067	4.5
83.01360	0.3
83.04993	1.4
83.08621	0.5
85.02914	9.5
85.06541	1.1
87.00835	2.6
87.04477	0.4
91.03943	0.3
91.05476	0.9
93.07056	3.4
94.41740	0.3
95.04974	1.3
95.08623	1.9
97.02910	4.8
97.06528	2.2
99.04461	2.4
99.08100	1.0
102.07571	0.3
103.05475	0.4
105.01881	1.8
105.07055	2.3
107.04971	0.3
107.08607	3.3
109.02894	8.5
109.06519	0.8
109.10179	3.0
111.04455	0.7
111.08092	0.7
113.06022	0.4
117.01849	0.3
119.04958	0.3
119.08575	1.6
121.06532	0.4
121.10162	2.6
123.04416	0.5
123.08101	0.6
123.11728	0.7
125.06058	0.4
125.09631	2.0
127.03931	100.0
127.11202	8.2
129.01814	0.6
131.04964	0.7
131.08582	1.0
133.10098	1.3
135.08090	0.6
135.11716	0.8
136.07576	0.3
137.05978	1.1
137.09637	5.2
137.13268	0.4
139.11205	0.9
141.01880	1.4
145.04984	2.4
145.10162	0.9
147.02916	0.6
147.04440	0.3
147.11685	2.3
147.25403	0.3
149.09636	9.5
149.13287	0.7
151.03926	0.8
151.11183	0.6
153.09081	1.3
153.12775	0.5
155.10690	6.7
157.10092	0.4
159.02876	1.5
159.11717	0.7
161.06001	0.4
161.09602	0.6
161.13251	0.3
163.03920	0.3
163.07526	0.5
163.11224	0.8
164.07146	0.3
165.09102	0.4
165.12814	0.9
167.07077	0.3
167.10698	9.1
173.13243	0.5
175.11209	0.5
175.14832	0.6
177.05542	0.3
177.16431	0.4
179.10690	0.4
183.13831	0.3
185.11754	1.3
186.38840	0.3
187.14761	0.5
189.09271	0.3
189.16353	0.5
191.14444	0.4
193.15897	1.1
199.14955	0.4
205.15894	1.4
207.17520	0.6
213.03951	1.3
217.15941	1.7
223.16945	5.4
231.05006	2.2
235.16943	11.7
236.06902	0.3
253.18022	8.7
271.19070	23.4
273.06201	0.3
289.20139	5.2
303.07526	0.4
316.97281	0.3
339.07172	0.5
345.06042	0.4
357.08249	0.7
357.13486	0.6
375.10507	1.9
449.75760	0.3
519.13568	0.6
519.24542	0.4
537.25757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1607
Annotation	Galactobuxin
Peak:m/z	Relative Intensity
53.03918	0.5
55.01855	0.3
57.03442	1.3
61.02936	1.5
62.91631	0.1
68.95094	0.1
69.03436	5.0
69.66696	0.7
71.01321	0.4
71.04962	0.4
73.02926	0.8
73.92620	0.1
81.03433	1.7
81.07005	0.2
83.01328	0.2
85.02910	10.4
87.04481	1.2
91.03925	0.4
91.05466	0.2
93.07058	0.1
95.04913	0.2
97.02896	3.2
98.20725	0.2
99.04426	0.6
103.03949	0.2
103.80138	0.1
105.03318	0.2
107.04956	0.2
109.02879	1.2
115.03931	0.3
117.03359	0.3
119.04936	0.1
127.03925	3.1
133.02878	0.2
134.03624	0.3
145.04979	1.0
147.04411	0.2
148.05151	0.6
149.05945	0.4
169.01353	1.2
175.03822	0.2
177.05440	0.2
181.01323	0.2
182.54967	0.2
183.02919	0.3
183.12053	0.2
192.04253	0.2
196.00066	0.4
197.00790	0.4
197.04402	0.4
211.02388	0.3
214.01163	0.2
218.05733	0.3
227.03592	0.1
228.04189	0.1
229.04907	0.2
230.05844	0.2
235.11574	0.1
239.03345	0.2
243.06499	0.3
246.05235	0.2
257.04465	0.3
267.02908	0.6
267.06454	0.1
271.06049	0.7
273.04047	0.4
274.04672	0.4
283.05963	0.4
284.03244	0.3
285.03900	0.6
285.07181	0.1
287.05557	0.3
289.07062	0.2
295.02216	0.3
296.06717	0.3
297.04089	0.2
298.04733	0.2
299.05508	1.9
302.04236	3.6
311.05533	0.1
312.02869	0.6
312.06140	0.2
313.03445	0.5
313.07074	1.1
314.07785	0.5
315.05014	0.7
315.08191	0.2
317.02881	0.3
317.06567	5.6
324.06491	0.3
325.03345	0.2
325.07056	0.3
327.05014	10.5
328.05829	0.7
329.06625	0.6
330.03690	3.1
330.07455	0.2
331.08163	0.3
341.06754	0.8
342.07324	3.3
343.04358	0.3
343.08145	1.2
345.06064	37.0
359.07687	0.5
360.08405	10.4
363.00781	0.1
369.06128	0.3
373.09195	0.7
375.10751	100.0
376.11053	0.6
417.11890	0.8
441.11844	0.2
550.55316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01865	0.5
55.07161	0.2
57.03444	1.3
58.90410	0.2
61.02934	1.4
69.03434	5.7
69.07031	0.3
71.01344	0.3
71.04977	0.5
73.02923	1.0
79.05478	0.3
81.03424	2.1
81.07024	0.5
83.08587	0.2
85.02911	10.6
87.04464	1.1
91.03946	0.5
91.05454	0.2
95.08594	0.3
97.02896	3.1
99.04460	0.8
105.07018	0.5
107.08568	0.2
109.02898	1.5
111.08932	0.2
113.02348	0.2
115.03889	0.4
117.03355	0.5
121.10104	0.3
127.03932	3.9
133.02861	0.3
134.05942	0.2
135.04378	0.2
137.05989	0.4
144.21089	0.2
145.04974	1.1
147.04352	0.2
148.05186	0.6
149.05952	0.2
151.03857	0.3
163.03967	0.2
169.01276	1.1
170.34138	0.2
175.03886	0.2
183.02911	0.3
190.06342	0.2
197.00783	0.4
197.04469	0.3
211.02347	0.3
218.05576	0.2
228.04147	0.2
229.05002	0.2
243.06584	0.3
246.05247	0.2
256.03622	0.2
267.02866	0.5
269.04501	0.2
270.05490	0.2
271.06061	0.7
274.04956	0.4
281.04425	0.3
283.06067	0.4
284.03152	1.0
285.03958	0.4
289.07178	0.3
295.02383	0.5
298.04858	0.5
299.05515	1.6
302.04230	3.9
309.61194	0.2
311.05487	0.2
312.02533	0.8
313.03467	0.5
313.07114	0.9
314.07797	0.6
315.05020	0.7
317.06570	5.0
323.05414	0.2
324.06549	0.2
326.07626	0.2
327.05005	9.8
328.05634	0.5
329.06488	0.6
330.03687	2.6
330.07291	0.2
331.08063	0.4
341.06570	1.0
342.07382	3.0
343.04568	0.3
343.08118	1.0
345.06070	34.3
359.07672	0.2
360.08411	10.5
373.09201	0.8
375.10760	100.0
376.11169	0.5
387.07437	0.2
393.06604	0.2
417.11755	0.7
441.11490	0.3
519.09198	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01864	0.7
55.05511	0.5
57.03440	0.8
61.02930	0.7
62.72182	0.1
67.01892	0.2
67.05497	0.5
68.99806	0.9
69.03436	5.3
69.07088	1.0
69.37679	1.1
70.06581	0.3
71.04998	1.3
73.02915	0.7
73.16370	0.1
79.05491	0.4
79.54882	0.1
81.03424	5.9
81.07058	0.9
83.01341	0.2
83.04984	0.6
83.08633	0.2
85.02915	6.1
85.06561	0.3
85.57476	0.1
87.00845	2.1
91.05468	0.6
93.07052	0.7
95.04972	0.6
95.08617	0.7
97.02901	4.1
97.06535	0.4
98.20741	0.3
99.04462	1.8
99.08062	0.2
103.03941	0.3
103.05506	0.2
105.01859	0.9
105.07050	0.8
107.04983	0.3
107.08601	0.7
109.02888	8.6
109.06501	0.4
109.10159	0.7
111.04471	0.6
111.08038	0.2
111.11749	0.3
113.02380	0.2
115.03938	0.2
117.01861	0.3
117.03403	0.4
117.07046	0.2
119.08602	0.7
120.08085	0.2
121.06507	0.2
121.10159	0.7
123.04443	0.3
123.08076	0.3
123.11716	0.2
125.02343	0.3
125.09659	0.2
127.03928	100.0
127.11217	0.6
128.04254	0.2
129.01875	1.0
129.05510	0.3
131.04947	0.4
131.08569	0.2
133.10152	0.7
135.04379	0.2
135.08113	0.3
135.11697	0.3
137.05989	2.3
137.09631	0.6
139.11253	0.3
141.01854	1.6
145.02861	0.8
145.04967	1.9
145.10159	0.3
147.02950	0.8
147.04398	0.2
147.11685	0.5
149.09615	0.8
151.03947	0.3
151.11229	0.3
155.10690	0.2
159.02884	0.9
159.11629	0.2
161.06015	0.3
161.13249	0.2
163.03989	0.3
163.07558	0.3
163.11217	0.2
165.05411	0.2
167.07079	0.4
167.10690	0.6
169.09966	0.2
175.07555	0.2
175.14822	0.2
176.15126	0.3
177.05495	1.7
187.07492	0.2
187.14833	0.2
189.03975	0.2
189.05519	0.3
191.07031	0.2
191.14314	0.3
195.02957	0.3
205.15915	0.2
207.02795	0.2
209.15265	0.2
213.04013	1.3
217.05081	0.3
223.16992	0.6
231.05052	1.6
235.06053	0.2
235.16960	0.7
253.17999	0.6
255.05052	0.2
261.97244	0.2
271.19070	1.3
273.06100	0.5
285.06079	0.3
303.07285	0.3
303.23178	0.3
321.24332	0.4
339.07263	0.4
339.25333	0.2
357.08218	1.4
375.09180	1.2
511.52884	0.2
519.13458	0.3
537.21613	0.3
537.28961	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.53536	0.1
55.01871	0.7
55.05507	0.7
57.03433	0.6
57.07066	0.2
61.02919	0.7
67.05521	0.8
67.39185	0.2
68.99799	0.9
69.03086	0.3
69.03437	4.8
69.03815	0.2
69.07066	1.0
70.06591	0.4
71.01358	0.2
71.04996	1.0
71.52357	0.2
73.02918	0.7
79.05482	0.6
81.03423	5.3
81.07059	1.9
83.04990	0.8
84.46135	0.2
85.02913	6.7
85.06553	0.3
86.09737	0.2
87.00856	1.9
91.03961	0.2
91.05476	1.0
93.07054	1.0
95.04961	0.5
95.08601	1.1
97.02895	4.4
97.06538	0.4
97.10142	0.3
99.04461	2.3
105.01865	0.9
105.07019	0.8
107.04966	0.2
107.08602	0.6
109.02891	8.6
109.06519	0.2
109.10166	0.9
111.04443	1.1
111.08071	0.2
117.01876	0.3
117.06996	0.3
119.04963	0.4
119.08578	0.9
121.02874	0.2
121.06546	0.4
121.10167	0.5
123.04355	0.4
123.08196	0.2
123.11731	0.4
125.02392	0.4
125.06029	0.3
125.09630	0.2
127.03928	100.0
127.11198	0.3
128.04253	0.3
129.01831	0.6
129.05464	0.2
131.04919	0.3
131.08565	0.2
133.10178	0.3
135.08058	0.2
135.11699	0.7
137.02385	0.2
137.05968	0.9
137.09625	0.2
139.03937	0.4
139.11266	0.2
141.01854	1.3
143.08641	0.3
143.10704	0.4
145.02864	0.2
145.04980	2.1
145.10149	0.3
147.02904	0.4
147.04442	1.0
147.11682	0.5
149.09618	0.2
149.13242	0.2
151.03917	0.5
153.05452	0.2
155.10678	0.3
159.02861	1.0
159.08083	0.2
161.05988	0.4
161.13243	0.3
163.04044	0.3
165.05515	0.2
167.06992	0.3
169.04980	0.2
175.07445	0.2
175.14883	0.2
177.05515	0.5
189.03955	0.2
195.02911	0.3
212.30188	0.2
213.03954	1.2
217.04941	0.2
231.05014	2.2
235.16924	0.4
236.17255	0.4
242.08038	0.2
249.06003	0.2
253.18060	0.5
253.21822	0.2
254.18370	0.4
271.22589	0.2
273.06033	0.2
285.06006	0.2
301.06873	0.2
302.07327	0.3
303.07278	0.5
303.23340	0.3
321.24231	0.7
339.07138	0.5
339.25302	0.3
357.08066	1.0
375.09116	1.1
519.13940	0.3
537.30756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28366	0.1
51.02372	0.2
53.03945	1.2
55.01873	0.7
57.03434	0.5
61.02929	0.8
62.65966	0.1
63.25077	0.2
68.99795	0.7
69.03088	0.2
69.03436	4.0
70.06580	0.2
70.76042	0.1
71.01361	0.2
71.04984	0.6
71.30610	0.1
71.30956	0.2
73.02921	0.5
81.03425	5.6
83.01347	0.2
83.04985	0.3
85.02912	4.7
85.66279	0.1
87.00372	0.2
87.00843	1.7
87.04449	0.2
91.03965	0.2
91.05495	0.1
95.04951	0.2
97.02292	0.2
97.02901	3.8
99.04468	1.6
105.01876	0.9
109.02887	8.7
110.50196	0.1
111.04459	0.5
115.03967	0.3
119.81181	0.1
121.02835	0.2
123.04427	0.1
125.02348	0.2
127.03927	100.0
128.04266	0.3
129.01830	1.0
129.05515	0.3
137.02350	0.2
139.03922	0.2
141.01830	1.3
145.04976	1.7
147.02893	0.6
151.03922	0.3
159.02919	0.9
163.03946	0.3
171.02870	0.2
195.02867	0.3
201.03958	0.2
213.03949	1.6
217.04956	0.2
231.05032	2.0
235.06114	0.2
249.06009	0.2
273.06143	0.5
285.06131	0.2
285.49640	0.1
303.07306	0.2
339.07190	0.3
357.08127	1.3
363.16220	0.2
375.09296	1.1
519.05670	0.3
519.13196	0.2
537.18829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01870	0.7
55.05509	0.6
57.03431	0.7
60.93931	0.2
61.02917	0.6
65.03954	0.4
65.93044	0.2
67.05505	0.6
67.66452	0.2
68.99811	1.0
69.03435	5.6
69.07074	0.8
70.06588	0.6
71.01364	0.2
71.04994	1.0
71.52461	0.3
71.52868	0.2
73.02924	0.6
75.80238	0.2
79.05480	0.7
81.03426	7.0
81.07066	1.1
83.04985	0.4
85.02912	6.0
85.06558	0.5
87.00838	1.8
87.04468	0.2
91.03990	0.3
91.05467	1.0
93.07056	0.9
95.04996	0.6
95.08621	1.0
97.02901	4.8
97.06525	0.4
99.04466	2.1
101.30175	0.2
105.01871	1.2
105.07036	0.9
107.04987	0.4
107.08603	0.7
109.02892	9.1
109.06541	0.4
109.10170	0.8
111.04461	0.6
111.08044	0.3
111.40367	0.2
115.03928	0.3
115.05428	0.3
117.01874	0.2
117.03380	0.4
117.07005	0.2
119.04978	0.6
119.08588	0.7
121.02904	0.5
121.06512	0.2
121.10162	0.6
123.04443	0.5
123.11682	0.3
125.02348	0.3
125.09623	0.3
127.03926	100.0
128.04248	0.4
129.01852	0.9
131.04910	0.3
131.08641	0.5
133.06424	0.3
133.10132	0.5
133.19423	0.2
135.11703	0.4
137.05974	2.6
141.01834	1.8
143.07092	0.2
143.08539	0.3
145.02856	0.9
145.04944	2.0
145.10129	0.3
147.02896	0.8
147.04387	1.1
147.08086	0.3
147.11702	0.4
149.05969	0.4
151.03920	0.4
153.05409	0.4
157.10153	0.3
159.02895	1.2
161.06012	0.6
161.13261	0.3
163.03915	0.6
163.14705	0.2
165.05486	0.3
167.07024	0.4
169.04950	0.2
171.02954	0.3
173.13281	0.3
175.03873	0.2
175.07570	0.8
175.14848	0.3
177.05478	2.0
181.05003	0.3
184.80267	0.2
187.07561	0.7
189.03957	0.3
193.04907	0.3
195.02927	0.2
199.07594	0.4
203.08607	0.2
207.06561	0.3
213.04002	1.4
219.08154	0.3
231.05011	1.7
231.08136	0.4
253.17940	0.2
253.21765	0.3
273.06113	0.4
285.06186	0.2
291.10388	0.2
309.11188	0.9
311.12854	0.4
315.07053	0.2
317.06668	0.2
321.10992	0.3
339.07169	0.5
345.06171	0.3
357.08154	1.2
360.08340	0.4
375.10510	1.6
519.13513	0.3
538.54498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03945	1.1
55.01869	0.5
56.65625	0.2
57.03426	0.6
61.02918	0.6
68.99807	1.1
69.03083	0.3
69.03434	4.3
70.06599	0.2
71.01350	0.3
71.04988	0.6
71.08123	0.3
73.02919	0.5
81.03428	5.1
83.04991	0.5
84.08191	0.2
85.02913	6.0
87.00835	1.8
97.02290	0.4
97.02898	4.2
99.04453	1.6
105.01858	1.0
109.02894	7.7
111.04466	0.4
112.10287	0.2
119.04919	0.2
119.33210	0.2
121.02843	0.2
122.51196	0.2
125.02402	0.3
127.03927	100.0
129.01849	0.6
129.05486	0.2
139.03918	0.3
141.01828	1.2
145.04956	2.2
147.02870	0.5
147.04399	0.4
151.03970	0.2
153.01846	0.3
159.02881	0.7
177.05463	0.2
193.05069	0.3
213.03928	1.5
231.05020	1.8
235.06091	0.3
273.06131	0.3
285.06149	0.2
303.07315	0.3
339.07144	0.6
357.08316	1.1
375.09286	1.3
385.98386	0.2
393.10239	0.3
404.82431	0.2
424.89728	0.2
491.06219	0.3
506.20444	0.2
519.05743	0.4
519.13080	0.3
537.18018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1453
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03959	3.4
53.55466	0.6
55.01875	3.0
55.05526	0.9
55.92305	0.5
57.03429	2.6
61.02919	2.7
65.03929	1.5
67.05499	1.8
68.70113	0.6
68.99786	3.4
69.03432	11.7
69.07068	1.1
70.06594	0.6
70.45996	2.0
71.04974	2.0
73.02931	3.0
79.05488	2.8
81.03429	11.6
81.06576	0.5
81.07047	2.6
83.04955	1.0
85.02910	23.6
85.06544	1.1
87.00837	10.3
91.03932	1.1
91.05486	3.0
93.07029	2.1
95.04990	2.8
95.08607	2.1
97.02897	7.8
97.06525	1.5
99.04455	4.2
103.03959	1.7
105.01875	5.0
105.07047	2.1
107.04949	2.0
107.08610	1.6
109.02892	8.4
109.06505	1.2
109.10139	1.0
110.03677	1.5
111.04423	0.8
115.03938	1.0
117.01862	2.1
117.03389	1.0
119.04938	2.2
119.08590	1.4
121.06487	1.3
121.10139	1.3
122.78396	0.6
123.04439	17.6
123.08075	1.2
125.05997	1.8
125.09646	0.8
127.03934	13.6
127.11195	0.7
129.01825	2.5
131.04964	1.1
133.06450	0.8
133.10120	1.0
133.70633	0.7
133.74994	0.5
135.04437	1.8
135.11678	0.9
137.02339	0.7
137.05998	2.4
137.09592	1.1
138.03137	8.8
142.21227	0.6
143.10570	0.7
145.02869	2.1
145.04958	6.1
147.02943	1.7
147.04416	10.5
147.11639	1.3
149.05963	1.5
149.09627	0.7
150.03090	1.1
151.07460	0.7
153.05476	100.0
157.06422	0.8
159.02916	7.2
161.05981	2.0
162.03171	1.4
163.03947	3.1
163.11150	0.9
165.05478	6.7
165.06775	1.0
167.06999	3.3
171.02937	0.7
171.04405	1.2
175.07491	1.3
177.05478	15.1
178.06314	1.3
181.06401	0.7
183.10141	3.3
185.06055	1.6
189.03990	1.3
189.05511	2.7
193.04974	1.9
201.05513	1.2
203.07056	0.9
213.05556	1.6
223.07535	0.9
224.44023	0.6
226.06061	0.7
227.07101	1.4
231.04674	0.8
231.06769	3.0
233.15303	0.8
234.15631	0.8
235.17097	0.8
241.08542	0.8
251.07054	1.1
251.16496	0.8
255.06548	2.4
259.09601	1.2
269.07935	1.1
269.17383	4.5
270.05328	1.0
279.06473	0.8
283.10022	1.5
285.07623	5.9
287.05963	1.3
287.09140	29.2
299.09225	1.4
307.09662	0.6
311.09122	9.4
319.22849	0.7
323.09219	1.8
325.10660	1.1
329.10226	8.5
331.08575	0.9
335.07629	2.4
346.47241	0.6
353.10266	6.3
355.11731	0.9
377.10162	3.0
395.11215	6.1
499.12180	0.8
517.13489	0.8
535.08405	0.8
535.30835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.6
53.03933	2.1
55.01857	2.7
55.05508	0.8
57.03422	2.5
57.07062	2.1
59.04991	1.1
61.02903	1.7
65.03928	1.1
67.05494	2.3
68.99796	2.1
69.03430	14.6
69.07060	1.5
70.86362	0.9
70.86677	0.8
71.04979	1.4
71.93700	0.7
73.02908	2.4
74.74970	0.7
79.05482	1.6
81.02996	0.8
81.03423	9.1
81.07066	4.5
83.04977	0.8
84.08141	2.2
85.02910	25.8
86.03223	0.7
87.00835	7.7
87.04463	2.7
89.06023	3.4
90.01914	3.4
91.03950	0.8
91.05480	4.2
93.07051	2.1
95.04965	1.7
95.08603	3.0
97.02894	7.5
97.06499	1.3
97.10146	0.6
99.04462	3.8
99.08126	0.9
103.03927	1.7
103.05463	0.8
103.07685	0.7
105.01855	4.6
105.07001	1.7
107.04977	4.6
107.08579	2.4
109.02888	10.0
109.06519	1.4
109.10149	2.4
111.08064	1.1
115.03943	0.9
117.01907	0.6
117.03389	0.9
119.04964	2.8
119.08558	1.1
121.02911	0.7
121.06488	4.4
121.10145	1.3
123.04430	5.4
123.08049	1.0
123.11686	0.8
125.02324	1.1
127.03928	19.6
129.01822	0.9
133.06477	1.6
133.08588	1.8
133.10162	1.8
135.04434	4.7
135.11664	1.4
137.02357	1.3
137.05966	6.4
145.02823	2.1
145.04948	6.7
145.10080	0.8
147.02957	1.9
147.04416	23.9
148.05229	1.9
149.02353	16.5
149.05994	7.0
149.09615	0.9
150.02695	6.8
153.05490	1.3
153.06865	0.6
159.02896	5.9
161.06012	2.1
163.03905	19.2
165.05475	6.0
167.07033	1.4
169.06358	0.7
171.04344	0.6
171.07953	0.9
177.04149	0.7
177.05479	21.2
177.11218	1.1
178.06175	3.6
179.03435	0.9
181.06470	1.2
182.07257	0.8
189.03949	0.9
189.05455	2.2
191.07089	1.4
193.04977	23.1
195.06541	0.9
195.13768	0.6
198.06766	1.1
199.07559	0.8
201.05490	1.1
205.05028	0.8
205.08635	1.6
206.08998	1.3
209.05968	1.4
210.06737	1.7
213.03912	1.1
213.09064	1.9
222.09796	0.9
223.09621	1.1
226.06349	2.8
227.07074	2.5
231.04944	4.8
237.05540	2.0
238.06189	1.6
241.08586	5.6
251.06940	0.8
252.07880	0.7
254.05772	0.9
257.04477	1.9
259.09628	3.6
269.08099	25.8
269.21036	1.3
272.06714	2.2
287.09152	100.0
299.09244	1.7
301.07175	1.8
311.09164	7.2
329.10229	7.5
349.10962	0.7
353.10287	3.6
368.14285	1.8
377.10242	1.2
395.11267	3.5
430.05853	0.8
435.24988	0.6
445.08081	1.4
463.50638	0.6
481.11786	0.7
491.08594	4.0
499.12302	1.2
535.14496	0.8
535.30957	1.9
564.89398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.2
53.66386	2.0
55.01885	12.3
55.05505	3.3
57.03444	9.9
61.02938	9.8
67.05512	4.5
68.99793	15.7
69.03440	32.1
69.07050	2.5
69.20068	11.5
69.20487	7.2
71.04998	4.9
73.02918	9.2
75.82322	2.6
79.05505	5.0
81.03433	27.3
81.07065	10.2
83.01378	1.9
83.04996	2.5
84.08135	2.6
85.02924	83.2
85.03441	4.7
87.00854	30.4
91.03973	2.6
91.05489	11.8
93.07066	7.0
95.04960	2.6
95.08613	6.1
97.02907	21.7
97.06530	2.9
98.20794	4.1
99.04468	12.6
103.03928	14.2
103.05467	2.8
105.01894	14.3
105.07041	5.4
107.04956	5.8
107.08618	6.5
109.02900	24.1
109.10173	4.4
111.04432	3.0
115.03941	3.0
115.05518	2.2
117.01868	3.5
119.04990	14.1
119.08562	3.8
121.06522	7.8
121.10132	4.1
123.04441	3.1
123.08101	2.6
123.11700	3.8
127.03932	40.2
129.01866	16.5
131.04929	10.4
133.02876	5.5
133.04991	2.2
133.10124	2.2
135.04442	12.0
137.02342	12.8
137.05994	11.2
143.04977	3.5
145.04994	17.0
145.10202	2.3
147.02928	10.0
147.04430	46.2
149.02362	21.5
149.06000	13.1
150.03174	19.4
153.05537	5.1
157.06496	2.0
159.02907	15.3
159.04456	7.2
161.06010	9.3
162.03233	3.3
163.03937	28.7
165.05537	25.9
167.03470	4.3
167.07037	5.0
167.08430	2.2
171.02943	4.1
171.04390	4.8
173.06042	3.6
175.03966	4.1
177.05495	76.3
178.02745	2.0
178.06215	6.6
179.07098	2.4
181.06538	5.7
183.08179	3.4
184.05179	2.6
185.05962	4.1
187.03970	8.9
187.07558	2.7
188.07890	2.4
189.03966	13.1
189.05441	2.2
193.04984	40.5
195.08080	4.5
197.06018	4.9
199.07607	3.0
200.04712	3.1
201.05536	5.0
205.04994	7.7
205.06668	3.6
209.06029	3.0
211.07559	2.5
223.07605	8.1
223.09578	3.8
224.10133	5.3
225.05537	5.5
226.05948	4.3
227.07069	5.4
229.04933	3.3
231.05028	6.6
233.06033	3.8
237.09158	2.5
239.07054	5.4
241.08676	4.0
243.06525	3.5
251.07059	10.7
251.20251	2.0
253.04979	3.9
254.05473	3.4
255.06306	4.1
255.10289	2.9
259.09729	7.5
263.07166	3.0
265.08533	2.9
267.06503	6.2
269.08075	5.5
269.21100	4.9
271.06036	47.8
272.06430	60.9
275.07013	3.5
279.06458	5.8
283.09769	9.7
284.06619	2.9
285.04117	2.7
285.07471	6.1
286.04776	14.8
286.08395	43.5
287.08905	100.0
293.07913	4.4
296.06659	3.1
297.07590	4.6
299.09131	12.1
301.07111	22.0
301.10730	9.4
308.06824	3.5
311.09219	59.3
319.26349	2.9
323.09216	7.1
325.10712	5.9
329.10257	79.9
331.08398	2.4
337.10818	2.7
349.10825	3.6
353.10263	44.2
367.12091	2.4
377.10129	13.1
395.11380	33.3
481.11139	2.3
499.12512	2.7
535.14673	2.3
535.30878	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	535.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05501	1.4
57.03433	0.8
57.07076	0.8
61.87022	0.4
63.55615	0.4
67.05493	1.6
68.99767	0.4
69.03423	1.3
69.07051	1.7
69.10164	0.4
70.06583	1.0
71.04996	0.9
71.52616	0.6
73.02909	1.1
79.05500	2.3
81.03395	1.4
81.07063	3.1
83.04987	0.7
84.08134	0.4
85.02908	1.8
85.06532	0.6
87.00819	0.6
87.53458	0.4
89.03902	0.8
91.05486	2.1
93.06494	0.4
93.07047	1.8
95.04992	1.1
95.08093	0.5
95.08609	2.9
97.02886	1.7
97.06522	1.1
97.10162	0.7
100.07594	0.5
103.03936	0.5
105.03373	0.8
105.07029	1.6
107.04937	0.6
107.08595	1.5
108.54225	0.4
109.02869	1.5
109.10181	1.4
111.04524	0.6
115.03941	0.4
117.03373	1.2
117.06991	0.6
117.77897	0.4
118.04186	0.9
119.04942	1.2
119.08564	1.7
121.02872	0.9
121.10137	1.6
123.04458	2.8
123.08022	0.5
123.11723	1.1
125.09580	0.5
127.03927	1.5
131.04900	0.9
131.08591	0.7
133.02866	2.3
133.10086	0.7
135.04391	1.3
135.08044	0.6
135.11716	1.2
137.02316	0.7
137.05974	2.9
145.02863	2.4
145.06590	0.6
145.07593	2.6
145.10121	1.3
147.04411	3.5
147.11681	1.2
149.02353	7.8
149.06003	0.7
149.13272	0.6
150.02658	2.3
151.03860	1.8
151.07713	0.4
153.01846	0.6
159.11699	0.7
161.05974	0.6
161.13229	0.5
163.03903	4.7
163.07402	0.5
163.08632	0.4
165.01854	1.3
165.05563	0.6
167.03441	0.6
167.07076	1.2
168.00536	2.2
175.07576	0.5
175.14778	0.5
177.05493	4.1
179.03427	4.0
184.05299	0.6
186.01640	1.3
189.01871	0.5
190.46939	0.4
191.03427	1.2
191.07121	0.6
193.08681	0.5
201.05501	1.9
202.77863	0.4
207.02911	38.4
212.04689	0.5
223.02426	1.3
223.09743	1.1
224.10085	0.9
229.05032	0.6
235.02399	15.3
239.03423	0.8
240.04121	0.6
254.05794	0.4
257.04492	1.3
258.05145	1.0
259.09644	0.5
268.03751	0.4
282.05350	0.8
285.03952	3.8
286.04749	39.4
287.05338	0.6
295.09671	0.5
301.07092	100.0
313.07114	0.5
317.08228	0.5
339.04910	0.5
345.07687	1.0
348.06494	0.7
355.12003	0.9
363.08759	0.4
365.06677	0.6
373.07153	1.4
389.06851	0.7
391.08160	2.7
401.06580	1.4
418.06787	0.7
429.06061	1.2
445.05612	1.5
446.06317	1.9
457.05685	1.1
473.05136	2.5
489.08191	28.6
517.07520	2.0
535.08533	1.6
535.17462	0.5
535.26251	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62966	0.7
54.45060	0.6
55.01888	0.7
55.40174	0.7
57.03434	1.2
59.05003	5.9
67.15700	0.6
69.03436	1.4
70.06605	1.3
70.97001	1.2
70.97325	0.7
73.02917	1.5
73.06548	2.4
74.01359	0.7
77.06018	1.2
78.85228	0.7
81.03417	0.9
81.07046	0.8
85.02900	1.8
87.04474	29.3
89.06038	73.8
91.05472	0.8
95.04976	0.9
96.23825	0.6
97.02898	0.9
99.04429	0.8
100.07629	1.2
103.03950	100.0
103.07596	4.1
103.08158	0.7
105.07007	0.8
107.07043	1.4
109.02898	1.3
114.69748	0.7
117.03461	0.8
117.09129	1.5
119.07072	1.6
121.08634	1.9
123.06834	1.0
127.03922	0.9
131.07068	6.7
133.08615	47.0
145.02879	2.1
147.06538	10.5
160.07568	0.8
163.09639	3.4
174.97064	0.8
175.09657	5.9
177.05438	3.5
177.11243	20.0
178.08698	1.3
191.09193	7.9
196.06119	1.9
196.09688	6.0
207.06577	1.4
207.12241	4.2
209.10223	0.8
219.12279	2.2
221.13861	3.5
235.11804	7.5
251.14957	0.7
265.16547	1.6
279.14423	1.9
292.64432	0.7
295.17661	0.7
297.15720	0.8
309.19037	0.9
312.37399	0.7
323.17050	1.6
371.21918	0.7
429.23425	1.1
455.51483	0.8
459.28336	1.2
464.86246	0.7
471.27991	1.2
517.28619	13.6
534.13049	1.3
534.19977	2.7
534.31824	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	2.6
55.05523	18.0
57.03441	5.5
57.07075	9.8
61.02934	2.9
65.03947	2.7
67.05510	77.6
69.03425	6.4
69.07076	26.1
71.04992	5.3
71.08632	6.6
71.52453	3.3
79.05497	27.1
81.03420	9.2
81.07064	100.0
83.04987	3.6
83.08626	19.4
84.02453	2.4
85.02891	10.8
85.06557	4.1
91.05492	22.2
93.07059	29.3
95.08617	79.6
97.02895	6.4
97.06530	7.2
97.10169	10.2
99.08112	5.9
105.07051	18.3
106.81438	2.1
107.08600	15.9
109.10167	37.5
110.56274	2.2
111.04450	2.7
117.06970	2.6
119.08588	15.5
121.06563	2.6
121.10157	21.0
123.08065	3.4
123.11726	19.6
125.09722	2.5
131.08548	5.9
133.10126	16.3
135.11711	11.7
137.09593	2.8
137.13234	9.8
141.12753	3.0
143.08481	2.6
145.10144	3.5
147.11688	16.1
149.13266	10.1
151.14795	5.5
151.15916	2.1
155.14297	2.6
161.13248	12.1
163.14818	8.8
165.16400	6.2
173.13382	2.6
175.14867	12.6
177.16360	2.8
179.17986	6.6
181.17638	2.1
187.14922	3.1
188.76167	2.4
189.16432	6.4
227.20074	2.9
245.22662	47.0
245.24902	2.3
260.99170	2.7
261.22284	2.7
263.23715	77.6
265.65375	2.5
273.18405	2.7
277.14282	2.7
291.23090	2.4
305.24786	3.2
337.27344	28.8
343.26636	2.5
353.25021	4.5
355.28510	4.4
371.25790	16.7
389.26953	11.9
391.33618	2.5
407.27979	14.3
425.29135	4.5
496.07227	2.6
534.25745	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10042	1.8
55.05515	14.9
57.03429	6.1
57.07084	11.8
61.02921	4.1
65.03926	2.0
67.05509	81.0
69.06741	2.2
69.07076	27.5
70.68651	3.6
70.68984	2.3
71.05011	2.3
71.08654	8.4
79.05496	23.1
81.07062	86.8
83.04993	2.0
83.08639	18.8
85.02905	5.9
85.06512	2.5
85.10189	2.6
86.09697	2.1
91.03965	2.9
91.05484	16.5
93.07050	26.0
95.04943	2.1
95.08613	81.1
97.02884	3.0
97.06556	7.8
97.10177	12.9
99.08106	5.3
104.10748	7.7
105.07052	11.7
107.08604	19.2
107.34563	1.6
109.10163	41.6
111.08088	4.6
111.11739	5.0
113.09654	2.3
119.08576	13.2
121.10153	25.2
123.11716	24.5
124.99950	2.0
125.09635	2.8
125.13269	2.2
133.10152	15.1
135.11710	14.2
137.09618	2.0
137.13268	6.9
139.14879	2.6
141.12727	3.3
147.11667	14.7
149.13286	11.8
151.11194	2.1
151.14850	7.7
155.14342	3.1
161.13266	11.6
163.13661	1.7
163.14790	11.4
165.16414	7.8
167.80959	1.9
175.14861	13.0
177.16365	1.6
179.14328	2.3
179.17947	8.8
184.07318	3.4
189.16393	5.6
193.15883	2.6
217.19585	2.1
245.22672	66.9
263.23721	100.0
265.25296	3.9
287.30246	1.7
337.27368	68.2
355.28445	7.7
414.89362	2.0
499.32416	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01871	2.8
55.05506	2.6
55.05774	0.8
56.61405	0.9
57.03446	6.7
57.07100	0.9
59.04996	1.0
61.02937	6.5
67.05505	3.5
69.03085	1.8
69.03445	26.2
69.07082	7.0
69.53197	5.6
71.05014	4.5
72.08192	1.1
73.02916	3.8
73.76594	0.9
79.05495	4.6
81.03436	10.4
81.07079	7.3
83.04960	1.5
83.08626	2.2
84.08121	1.0
85.02921	100.0
87.04478	2.7
91.03976	3.3
91.05492	4.9
93.07077	6.8
95.04993	9.4
95.08633	5.7
97.02907	28.7
97.06561	5.6
97.10146	0.8
99.04460	6.0
99.08106	1.4
105.07040	6.4
107.04987	1.7
107.08607	8.3
109.02900	12.1
109.06548	4.2
109.10168	5.3
111.08078	1.5
115.03911	1.3
117.06982	1.3
119.04974	1.8
119.08619	4.8
121.06524	3.5
121.10139	4.3
122.07348	2.4
123.08090	14.7
123.11730	2.2
124.07596	1.2
127.03934	23.7
131.08582	2.0
133.06441	1.0
133.10141	6.4
135.08073	26.1
135.11676	4.9
137.06012	2.4
137.09659	2.1
143.04890	1.0
145.04988	27.5
145.06270	1.7
145.06534	1.3
145.10188	1.7
147.04446	3.7
147.10641	0.8
147.11699	4.9
149.09674	1.5
149.13284	1.8
161.05952	0.9
163.06021	5.5
163.07243	1.0
163.14839	1.1
165.12782	33.5
167.07112	2.1
171.11687	1.2
173.13322	2.1
175.14859	5.1
176.12053	2.6
177.05498	1.4
177.16360	1.1
191.14339	68.0
193.15919	18.8
207.13881	2.6
209.15405	21.6
229.08752	0.9
285.07574	2.4
309.16888	1.3
325.11078	0.9
371.20526	5.2
434.72192	0.9
489.08066	1.2
533.25995	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82966	0.2
57.03447	1.5
57.07079	4.1
57.07345	0.3
59.04995	0.4
60.04532	0.3
63.19158	0.2
65.03944	0.5
67.05498	0.2
69.03436	6.0
70.06618	0.2
70.41914	0.6
81.03435	0.3
81.07062	0.2
85.02914	5.1
87.04474	4.2
93.03395	0.3
93.07053	0.2
93.83492	0.2
97.02905	4.9
99.04482	0.2
105.07062	0.3
107.08647	0.2
109.02844	0.3
111.08016	0.2
115.03943	6.0
121.02883	2.1
121.03928	0.4
127.03947	0.6
133.04971	5.8
133.10153	0.2
139.03743	0.2
144.06592	0.3
145.04912	0.4
149.02357	100.0
150.02657	0.4
150.07678	0.9
157.08676	0.3
162.07536	0.3
167.03423	6.6
180.08710	0.3
190.04968	0.3
205.08586	1.7
208.50526	0.2
219.17436	0.2
223.09676	31.2
259.08356	0.2
277.09067	0.2
285.07712	0.3
286.07925	0.3
312.12836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
57.07082	1.5
58.65437	0.3
59.05000	0.3
65.03936	0.7
69.03440	5.9
69.21703	1.6
69.22120	1.4
69.70563	0.3
72.99715	0.3
76.46523	0.3
79.75515	0.3
81.03433	0.4
81.07039	0.5
85.02921	4.8
87.04486	3.8
97.02909	4.3
107.08619	0.5
115.03941	4.6
116.06107	0.3
121.02896	2.2
127.03938	1.0
133.04997	4.8
145.04965	0.6
149.02367	100.0
150.07668	0.5
167.03391	0.8
181.05180	0.3
200.32440	0.4
205.08640	3.9
223.09691	24.9
251.76457	0.3
271.06100	0.8
286.04660	0.5
286.08221	1.0
301.07312	0.4
346.94846	0.4
408.22241	0.3
490.28076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01864	0.2
55.05503	0.5
55.95667	0.2
57.03419	0.3
58.77873	0.2
59.04998	0.8
61.02911	0.2
65.03931	0.3
67.04259	0.9
68.05022	0.3
69.03436	0.9
69.18975	0.4
69.19375	1.4
70.06597	2.2
71.05001	0.9
72.08170	0.2
73.02903	0.6
79.05512	0.3
80.05016	0.7
81.03414	0.4
81.07045	0.2
82.06585	4.1
83.04984	0.2
84.04501	0.4
85.02905	1.8
86.09694	0.3
87.00825	0.2
87.04459	0.8
88.03992	0.5
89.06045	1.9
91.05499	0.5
92.43111	0.2
95.05003	0.3
97.02882	0.5
98.06063	16.9
98.76894	0.2
99.04449	0.4
100.07625	0.4
103.03938	0.9
105.07027	0.5
107.08572	0.4
108.04486	0.3
109.02862	0.8
111.04458	0.2
116.07103	4.8
117.05505	0.7
117.06998	0.3
119.08598	1.5
121.10120	0.3
124.07592	0.2
126.05540	1.5
127.03917	0.8
127.05909	0.2
128.07063	0.3
129.05521	0.3
130.05064	0.2
131.08595	0.4
133.08620	1.0
133.10118	0.4
136.74763	0.2
144.06569	100.0
145.02881	0.3
145.06857	0.3
145.10089	0.3
146.08118	0.7
147.04401	0.4
147.11749	1.2
152.08182	0.2
159.06552	0.2
173.13286	1.8
175.14928	0.3
177.05501	0.5
177.11206	0.3
191.14308	1.5
209.15434	0.4
217.07008	0.2
221.13939	0.2
233.61978	0.2
236.73820	0.2
239.14937	0.3
311.16898	0.2
313.11737	0.2
355.19623	0.5
392.36606	0.2
463.21725	0.3
516.28436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
54.41205	0.6
55.01875	1.2
67.05505	0.9
69.03426	1.1
69.66825	1.6
69.67236	2.4
73.24446	0.7
78.04707	1.8
79.05502	6.2
81.03439	0.9
85.02920	3.0
87.04443	0.7
91.05490	3.0
93.96794	0.7
94.04175	0.7
95.04982	1.5
97.02808	0.7
98.21557	0.8
100.07619	0.7
103.05464	2.1
105.07041	6.6
106.04159	1.9
107.04968	13.2
115.05466	2.9
117.07073	1.4
118.04184	1.5
119.08585	1.9
121.06525	1.3
123.04459	5.9
124.05224	2.2
127.03946	1.4
128.06209	2.6
129.06996	6.5
130.04156	0.7
131.04941	3.9
132.05724	2.1
133.06494	4.4
134.03664	0.8
137.05969	1.2
141.07005	1.3
144.05750	1.6
145.06477	1.8
147.04419	0.8
147.08073	2.1
148.05241	0.9
149.05992	1.9
152.04698	2.2
153.05450	2.4
153.06697	0.8
155.04950	1.3
155.07043	1.1
156.05670	1.4
159.08052	4.7
160.05196	1.2
161.06004	10.6
163.07602	0.9
167.07054	100.0
171.08066	1.8
172.05219	2.7
173.06030	0.7
175.07562	21.9
176.04707	1.1
177.05550	1.2
178.07817	1.0
184.05196	2.3
187.07561	22.4
187.09203	1.4
189.06873	0.8
189.09140	1.7
190.07713	0.8
191.07060	9.9
191.08618	1.3
199.07552	8.7
201.05649	0.6
202.07832	1.9
203.08591	2.6
206.07294	1.3
207.08136	1.1
209.08037	3.2
215.08540	2.3
217.06616	0.9
217.08638	1.6
218.07306	2.5
219.08012	2.1
221.09656	3.5
229.06476	0.9
231.08096	1.7
232.08809	1.4
233.09639	3.1
234.06769	2.2
235.07576	2.5
246.06715	1.9
247.07571	1.9
248.08304	0.8
249.09122	4.6
250.09822	0.8
251.07045	0.9
259.07547	1.4
260.08405	1.0
261.09106	3.6
263.07077	1.3
270.05273	1.2
274.06232	1.3
275.07059	1.2
277.08688	2.2
278.09369	1.0
281.11725	7.8
285.07571	8.5
289.08673	3.4
293.11728	2.1
294.08951	1.2
295.09619	0.9
306.08820	1.8
307.09738	0.8
309.11230	8.5
321.11209	8.5
322.11954	1.6
325.14395	0.9
326.11542	2.4
338.11932	0.6
341.13846	25.4
353.13864	13.2
371.15372	0.8
428.82172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01874	1.9
57.03421	2.6
59.04984	2.5
61.02917	2.6
61.73562	0.7
66.30147	0.7
67.05503	0.9
69.03432	8.0
70.68649	2.4
71.05001	2.6
73.02891	1.5
76.53057	0.7
78.04707	2.5
79.05499	9.2
81.03419	4.7
81.07053	2.3
85.02911	21.3
87.04465	1.1
91.05476	4.3
93.07037	1.6
95.04997	0.9
95.08588	1.3
97.02902	6.8
99.04492	1.0
103.05467	3.3
104.06270	1.2
105.07045	7.8
106.04198	2.2
107.04965	21.8
109.02882	3.1
109.10131	0.9
115.05464	5.2
117.07037	1.9
117.81213	0.8
118.04182	1.7
119.08578	2.6
121.06522	1.2
122.03653	1.3
123.04436	8.4
123.08054	0.9
124.05279	3.9
125.06017	1.0
127.03927	3.7
128.06238	3.4
129.05501	1.0
129.07007	5.5
131.04979	3.9
131.08585	1.0
132.05713	3.3
133.06477	6.4
135.04413	0.8
137.05992	1.3
141.06985	1.9
143.06071	1.1
144.05721	0.8
145.04980	3.0
145.06499	1.7
145.94592	0.7
147.04443	1.6
147.08069	3.7
151.03893	1.7
151.07492	1.8
152.04723	3.2
153.05447	2.6
155.04897	1.0
156.05640	1.5
157.06526	0.8
159.08095	5.4
160.05270	1.9
161.05956	8.6
163.11314	0.8
163.45659	0.8
167.07051	100.0
169.06491	1.9
171.08095	1.7
172.05270	1.5
173.05992	1.0
175.07559	40.9
177.05487	2.3
178.07814	1.0
179.07065	1.3
184.05254	2.5
186.06740	1.3
187.07553	14.7
189.09125	2.2
190.07768	2.4
191.07050	9.3
191.08563	1.5
193.08609	16.4
197.05995	0.9
199.07564	12.9
201.09122	3.6
202.07736	0.9
203.08600	2.7
205.10167	0.8
206.07339	1.8
207.13904	1.0
209.08174	1.6
209.15344	0.9
215.08652	3.8
217.08435	0.9
218.07288	4.2
219.08075	2.6
220.08888	1.0
221.09677	2.5
223.07571	0.8
231.08127	2.6
232.08803	2.2
233.09695	4.9
234.06810	2.1
235.07552	3.1
242.05957	1.3
243.08107	2.0
245.06165	0.7
246.06737	2.1
247.07547	2.9
249.09109	4.7
250.09877	1.7
251.07097	1.7
260.08365	2.3
261.09119	6.2
262.09833	1.4
263.07068	2.6
263.10519	1.6
265.08563	1.0
266.09314	1.0
269.04459	6.5
270.05237	13.2
271.07684	0.9
274.06216	2.0
275.07175	1.9
276.07825	1.0
277.08597	3.7
278.09421	2.6
279.10037	1.6
281.11691	6.2
285.07574	44.0
286.07843	0.8
289.08600	6.8
290.09277	1.8
291.06546	0.9
291.10132	2.1
293.11627	3.6
294.08908	1.3
305.07968	1.3
305.24646	0.9
306.08896	2.2
307.09647	3.0
309.11288	5.9
321.11182	14.9
322.12006	2.9
323.09155	1.0
325.14465	2.2
326.11627	2.4
327.08597	1.5
341.13834	19.4
353.09781	1.7
353.13861	22.1
355.15549	2.8
447.12973	2.1
533.12946	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	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01874	1.9
57.03421	2.6
59.04984	2.5
61.02917	2.6
61.73562	0.7
66.30147	0.7
67.05503	0.9
69.03432	8.0
70.68649	2.4
71.05001	2.6
73.02891	1.5
76.53057	0.7
78.04707	2.5
79.05499	9.2
81.03419	4.7
81.07053	2.3
85.02911	21.3
87.04465	1.1
91.05476	4.3
93.07037	1.6
95.04997	0.9
95.08588	1.3
97.02902	6.8
99.04492	1.0
103.05467	3.3
104.06270	1.2
105.07045	7.8
106.04198	2.2
107.04965	21.8
109.02882	3.1
109.10131	0.9
115.05464	5.2
117.07037	1.9
117.81213	0.8
118.04182	1.7
119.08578	2.6
121.06522	1.2
122.03653	1.3
123.04436	8.4
123.08054	0.9
124.05279	3.9
125.06017	1.0
127.03927	3.7
128.06238	3.4
129.05501	1.0
129.07007	5.5
131.04979	3.9
131.08585	1.0
132.05713	3.3
133.06477	6.4
135.04413	0.8
137.05992	1.3
141.06985	1.9
143.06071	1.1
144.05721	0.8
145.04980	3.0
145.06499	1.7
145.94592	0.7
147.04443	1.6
147.08069	3.7
151.03893	1.7
151.07492	1.8
152.04723	3.2
153.05447	2.6
155.04897	1.0
156.05640	1.5
157.06526	0.8
159.08095	5.4
160.05270	1.9
161.05956	8.6
163.11314	0.8
163.45659	0.8
167.07051	100.0
169.06491	1.9
171.08095	1.7
172.05270	1.5
173.05992	1.0
175.07559	40.9
177.05487	2.3
178.07814	1.0
179.07065	1.3
184.05254	2.5
186.06740	1.3
187.07553	14.7
189.09125	2.2
190.07768	2.4
191.07050	9.3
191.08563	1.5
193.08609	16.4
197.05995	0.9
199.07564	12.9
201.09122	3.6
202.07736	0.9
203.08600	2.7
205.10167	0.8
206.07339	1.8
207.13904	1.0
209.08174	1.6
209.15344	0.9
215.08652	3.8
217.08435	0.9
218.07288	4.2
219.08075	2.6
220.08888	1.0
221.09677	2.5
223.07571	0.8
231.08127	2.6
232.08803	2.2
233.09695	4.9
234.06810	2.1
235.07552	3.1
242.05957	1.3
243.08107	2.0
245.06165	0.7
246.06737	2.1
247.07547	2.9
249.09109	4.7
250.09877	1.7
251.07097	1.7
260.08365	2.3
261.09119	6.2
262.09833	1.4
263.07068	2.6
263.10519	1.6
265.08563	1.0
266.09314	1.0
269.04459	6.5
270.05237	13.2
271.07684	0.9
274.06216	2.0
275.07175	1.9
276.07825	1.0
277.08597	3.7
278.09421	2.6
279.10037	1.6
281.11691	6.2
285.07574	44.0
286.07843	0.8
289.08600	6.8
290.09277	1.8
291.06546	0.9
291.10132	2.1
293.11627	3.6
294.08908	1.3
305.07968	1.3
305.24646	0.9
306.08896	2.2
307.09647	3.0
309.11288	5.9
321.11182	14.9
322.12006	2.9
323.09155	1.0
325.14465	2.2
326.11627	2.4
327.08597	1.5
341.13834	19.4
353.09781	1.7
353.13861	22.1
355.15549	2.8
447.12973	2.1
533.12946	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	532.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.03438	0.3
58.06596	2.3
58.06833	0.3
65.49186	0.2
67.05512	0.9
68.05038	0.3
69.07074	0.6
69.17770	1.6
69.18178	0.4
70.55738	0.2
70.83221	0.2
76.34806	0.2
78.25879	0.2
79.05497	0.5
81.07069	0.9
82.06586	1.5
83.06865	0.3
83.07372	6.1
90.38685	0.2
93.07037	0.4
95.08636	0.6
96.08191	0.2
98.09706	74.4
98.21555	0.5
105.07072	0.2
107.08570	0.2
109.10178	0.5
116.10746	3.2
126.86403	0.2
153.18521	0.2
196.07367	100.0
451.66382	0.2
480.65982	0.2
514.33142	1.2
532.34045	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	533.1296
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03926	0.3
55.01844	0.4
57.03408	0.7
59.05008	1.1
62.34333	0.2
67.05489	0.4
68.99753	0.2
69.03433	2.0
69.57278	1.3
71.04973	0.4
72.65730	0.2
73.02884	0.4
78.04706	0.2
79.05481	0.4
80.95232	0.2
81.03423	1.2
81.07020	0.3
83.04987	0.2
84.08132	0.3
85.02914	3.2
85.06520	0.3
87.00807	0.4
89.73181	0.2
91.05472	0.3
93.07027	0.2
95.04939	0.4
95.08597	0.3
97.02883	1.4
99.04420	0.4
103.03931	0.3
103.07523	0.2
105.01850	0.4
105.07007	0.7
107.04965	1.0
107.08537	0.4
109.02879	1.0
115.03902	0.3
115.05463	0.3
119.04928	0.3
121.10125	0.3
123.04441	6.5
127.03929	1.5
129.06972	0.3
131.04918	0.3
134.03587	0.9
135.08028	0.3
137.02335	1.2
137.06021	0.4
141.06972	0.3
145.04950	0.5
147.04402	0.5
147.07898	0.3
152.04604	0.3
153.05432	0.6
159.02859	0.3
159.08034	0.2
161.05968	0.6
161.11534	0.2
163.03894	0.4
167.07056	5.5
167.38614	0.2
169.06473	0.2
171.04567	0.3
175.07555	2.6
177.05443	0.6
177.11156	0.2
183.04347	0.2
184.05151	0.4
185.05951	0.4
186.06851	0.3
187.05943	0.2
187.07509	0.9
191.07072	0.7
193.08607	0.9
196.05200	0.4
197.05986	1.5
199.07529	0.9
200.04604	0.2
201.05417	0.4
201.08932	0.3
207.13704	0.2
210.06746	0.7
211.07600	0.4
213.05449	0.9
214.06219	0.8
225.05463	2.7
229.08548	0.8
238.06247	0.8
239.07124	0.5
241.04938	0.4
242.05751	1.3
246.06854	0.2
249.09206	0.3
252.04181	0.2
253.05005	2.6
254.05717	0.6
255.06494	0.3
257.08148	0.4
261.09238	0.4
263.10461	0.2
267.06528	0.6
269.04462	17.9
270.05243	31.1
271.05603	0.3
277.08734	0.3
281.11765	0.3
283.06039	0.8
285.07584	100.0
286.07922	0.7
287.09152	0.3
289.08444	0.5
299.09235	0.6
301.06985	0.2
309.07532	0.3
309.11151	0.5
321.11194	0.9
322.12033	0.2
327.08652	2.4
341.13925	1.3
353.10242	0.2
353.13940	1.6
433.37112	0.2
447.12872	4.5
489.13730	1.3
533.12939	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	531.1872
Annotation	Icariside I
Peak:m/z	Relative Intensity
67.05498	0.6
69.03463	0.2
69.07079	26.5
70.77669	0.3
70.78026	0.3
76.27708	0.2
85.02905	0.7
93.07054	0.3
119.08602	0.2
126.01476	0.2
131.04976	0.5
135.72960	0.2
135.77905	0.2
146.70923	0.2
154.23839	0.2
157.02908	0.4
166.76547	0.3
168.00577	1.3
169.01352	0.6
183.02882	1.2
186.01645	0.6
213.05475	0.2
214.06284	0.3
220.87506	0.2
242.05708	0.4
253.05066	0.3
257.07944	0.3
258.05206	0.4
269.04523	1.1
270.05252	7.5
271.06015	0.4
283.06140	0.3
285.03992	1.5
285.07547	1.5
286.04758	25.1
295.05997	1.5
298.04749	8.1
298.08200	0.3
299.05615	1.2
301.07095	37.9
311.05280	0.3
312.06244	0.3
313.07092	44.7
354.10858	0.5
369.13376	100.0
370.13779	0.5
469.64893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04250	0.1
53.00322	0.1
55.05516	0.2
57.03448	0.2
67.04787	0.1
67.05492	0.7
69.03441	0.3
69.07071	29.5
69.44646	0.9
70.00300	0.1
81.03419	0.2
85.02929	0.7
91.05493	0.1
93.07064	0.2
95.08556	0.2
95.57725	0.1
97.02898	0.3
98.21488	0.2
98.98467	0.4
103.05511	0.2
105.07069	0.2
109.02885	0.2
109.10159	0.2
118.04161	0.2
127.03919	0.2
129.07005	0.1
131.04944	0.7
138.32512	0.1
139.00397	0.1
145.04968	0.2
145.06569	0.2
145.10069	0.1
153.03116	0.3
157.02905	0.3
161.05965	0.2
166.99898	0.1
168.00572	1.2
169.01328	0.6
171.04381	0.2
180.35429	0.1
183.02927	1.1
184.05377	0.2
185.05930	0.2
186.01564	0.5
186.06650	0.2
188.90805	0.1
197.05957	0.3
197.36075	0.1
212.04558	0.1
213.05391	0.2
214.06181	0.2
225.05490	0.2
239.07062	0.2
240.04272	0.2
241.04823	0.3
242.05701	0.5
252.04205	0.2
253.04887	0.2
255.06535	0.3
257.08163	0.4
258.05307	0.5
267.06479	0.3
269.04504	1.6
270.05252	7.3
271.05963	0.4
280.51147	0.1
282.04892	0.1
283.06055	0.4
283.16669	0.2
285.03970	1.7
285.07593	2.0
286.04724	27.2
295.06033	1.2
297.04025	0.2
298.04724	7.2
299.05499	1.2
301.07068	39.3
310.99561	0.1
311.05612	0.3
312.06375	0.2
313.07062	41.7
314.07343	0.2
325.07111	0.3
327.08704	0.2
339.08606	0.3
354.10779	0.5
369.13336	100.0
370.13504	0.6
373.91754	0.1
377.18976	0.1
422.42276	0.1
474.91241	0.1
523.00574	0.2
531.34674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01863	3.9
55.05513	14.7
57.03193	1.4
57.03441	14.3
57.07071	1.3
65.03939	1.3
67.05509	26.3
69.03412	4.5
69.07072	8.1
70.63644	2.2
70.64016	2.1
71.04974	4.4
79.05083	2.1
79.05502	27.6
81.03422	67.2
81.07065	28.2
82.41128	0.9
83.04992	20.9
83.08160	1.5
83.08624	23.7
85.02913	26.5
85.06533	3.0
91.05488	39.9
92.89010	1.1
93.06490	1.6
93.07050	19.6
95.04975	29.1
95.08620	10.8
97.02895	5.0
97.06523	5.5
97.10194	5.6
99.08064	1.1
105.04517	1.3
105.07037	26.0
107.04955	7.6
107.08591	6.6
109.06544	5.6
109.07163	1.1
109.10144	3.3
111.04438	2.9
111.08089	12.0
113.05972	2.4
115.05465	2.1
117.07049	1.9
119.04916	1.5
119.08588	21.4
121.06521	1.9
121.10139	8.9
123.08064	3.2
123.11710	1.5
123.69643	1.1
125.09656	1.5
128.06245	1.2
129.07004	12.1
131.08562	13.5
133.06493	3.2
133.10156	16.0
135.11693	1.2
137.09575	1.7
139.38402	1.2
142.07779	3.1
145.10115	2.2
147.08018	2.6
147.11673	14.4
149.09645	6.5
153.29951	1.1
157.10139	17.5
165.12744	3.8
175.11197	18.2
193.12256	60.2
211.13304	100.0
249.15030	1.1
251.75424	1.0
252.94031	1.1
267.15915	28.8
280.44928	1.0
285.16977	90.1
293.79193	0.9
459.27356	8.0
477.28412	15.1
495.22375	2.3
495.29559	39.8
502.57327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23915	0.4
53.03917	1.3
54.97029	0.4
55.01857	1.1
55.05466	0.4
57.00176	0.4
57.03448	1.9
61.02922	2.7
67.05495	0.5
69.03436	9.6
69.07076	19.4
69.44260	2.7
71.04988	0.9
73.02883	1.8
74.09694	1.0
79.05488	0.5
81.02966	0.4
81.03412	2.9
81.07030	0.5
85.02917	15.6
87.04462	1.1
91.03957	0.6
91.05485	0.7
93.07029	0.9
95.04960	0.4
95.08607	0.8
97.02911	4.7
98.20808	0.8
99.04427	1.5
103.05448	0.5
105.06985	0.8
109.02842	1.5
109.10130	0.4
115.03876	0.5
117.40349	0.4
127.03919	2.7
131.04906	1.1
145.04922	1.3
147.86899	0.4
154.89070	0.4
157.02847	0.7
165.09178	0.6
168.00574	2.3
169.01317	1.3
183.02888	3.4
183.08070	0.5
186.01646	0.5
197.06026	0.6
208.74298	0.4
212.53317	0.4
213.05380	0.7
214.06285	0.7
221.70908	0.4
241.04982	0.6
242.05885	0.9
260.07590	0.5
265.90219	0.4
269.04507	2.0
270.05264	11.8
271.05988	0.9
281.04385	0.5
285.04041	1.5
285.07617	2.1
286.04736	20.9
295.06027	1.7
296.06989	0.5
297.04315	0.5
297.07657	0.5
298.04739	23.8
299.05429	1.2
301.07104	27.4
310.04691	1.3
311.05472	1.5
313.07083	100.0
314.07138	0.5
323.05591	2.4
325.07114	2.4
336.06213	1.2
337.07120	0.5
339.08719	2.3
340.82986	0.4
343.08261	0.8
349.06882	0.5
351.08691	3.2
353.10226	0.6
354.10852	0.9
355.08130	0.5
364.09378	1.0
365.10281	1.5
367.07980	0.9
367.12061	0.8
369.13370	88.1
370.13507	0.7
377.10284	0.6
379.11823	4.4
381.13428	7.7
391.11462	0.9
393.13684	2.7
395.10941	0.5
405.13657	0.8
409.13037	2.2
411.14560	1.1
419.11197	0.7
423.14969	0.7
435.14346	0.8
465.14575	0.5
477.15161	1.0
495.16373	0.7
513.17554	1.0
531.18646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44085	1.3
52.42419	1.3
53.03955	2.1
55.01870	1.8
55.05268	1.8
55.05514	17.3
57.03437	9.8
57.07074	6.2
59.04991	6.5
67.05512	22.4
69.03429	2.4
69.07073	93.5
69.20946	4.7
69.21366	10.3
70.06590	5.1
71.05000	10.9
71.08636	3.0
73.06563	3.0
79.05502	24.2
80.22987	1.4
81.03404	2.1
81.07063	30.2
83.04982	8.4
83.08625	21.1
84.28172	1.6
85.02888	2.1
85.06561	4.9
87.04477	13.2
87.08084	1.8
89.06036	73.0
91.05484	5.2
93.06488	2.9
93.07049	45.1
95.04979	1.5
95.08613	32.3
97.06534	42.3
98.48027	1.9
99.04456	4.7
101.06009	3.3
103.07569	2.0
105.07050	3.6
107.08599	36.1
109.06539	1.9
109.10166	15.6
111.08089	12.1
111.11733	12.5
115.07552	3.3
116.07101	8.1
116.21992	1.4
119.08626	2.3
121.10136	4.1
125.13232	1.6
131.07059	2.0
133.08607	47.9
135.11700	87.2
139.11147	4.1
145.10109	2.0
147.11708	1.8
153.12759	100.0
157.12271	4.4
171.13811	83.9
177.11234	33.2
177.12686	1.6
195.12236	2.5
197.15376	96.6
211.13113	1.6
211.16930	1.9
215.16451	21.3
221.13791	1.8
229.18048	5.5
239.14888	1.7
255.19611	7.3
259.19058	7.0
265.16559	2.2
273.20609	6.9
283.14786	1.6
283.17575	28.5
303.21893	3.3
323.20572	4.1
341.21472	2.2
347.24353	7.9
391.27301	1.9
413.12015	2.0
435.29459	5.5
464.21719	1.8
492.20578	2.0
493.33917	8.7
511.34946	10.1
528.28473	2.0
528.37585	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	528.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
57.07078	49.8
59.05006	19.7
67.05504	3.6
69.07066	4.2
71.08635	100.0
71.25395	1.9
71.35777	0.9
73.06555	3.2
79.05493	3.5
81.03440	1.7
81.07041	4.0
83.08634	2.4
85.09657	1.6
85.10188	56.1
87.04472	7.1
89.06036	93.6
91.05496	3.8
93.07055	4.2
95.08611	2.6
97.10187	1.3
103.07604	6.7
105.07034	4.1
106.07323	1.0
107.07059	1.1
107.08614	1.8
109.10183	1.8
117.07014	1.6
117.09148	1.4
119.08594	1.8
122.10505	1.2
125.09640	1.0
127.14853	8.7
129.07062	1.1
130.08658	3.4
131.07037	4.8
131.08571	2.3
133.08609	75.0
141.16435	1.4
143.08545	1.7
145.10165	2.6
146.10413	1.4
157.10016	1.4
159.11713	1.0
169.10149	0.9
171.11647	1.1
173.13289	0.9
175.09709	3.3
177.11232	30.5
185.13528	0.9
185.19034	11.6
187.14857	0.9
193.12360	0.9
195.12140	1.0
215.20328	0.8
219.12251	1.2
221.13847	9.2
229.21619	5.4
237.16298	0.8
239.14949	2.7
265.16489	1.3
283.17548	3.9
309.19067	3.1
327.20187	29.0
341.45703	0.9
367.23483	4.6
371.22916	4.6
385.24542	1.5
405.22070	3.6
429.72195	0.9
436.33035	2.1
493.27286	3.6
510.36517	2.0
511.38623	11.4
528.37451	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.07079	30.9
58.79524	0.8
59.04995	3.3
64.02776	1.0
67.05492	3.1
68.05835	1.1
69.07067	3.0
69.84292	2.9
71.08638	39.2
73.06557	6.1
79.05479	2.6
81.03426	1.7
81.07058	2.9
83.08609	3.7
85.09657	1.5
85.10182	29.6
87.04490	5.2
87.96941	0.9
89.06037	100.0
91.05479	1.0
91.07616	1.7
93.07034	1.3
95.08640	1.3
97.10176	1.7
99.11741	3.6
105.07037	2.3
107.07060	1.3
107.08588	1.9
108.08980	1.0
109.10175	1.3
117.09145	5.0
119.08553	1.3
121.10168	1.5
127.14834	3.6
130.08630	2.3
131.07027	1.4
133.08618	53.8
141.16350	2.7
145.10091	1.7
161.11786	1.0
175.09694	1.3
177.11235	23.3
185.19006	5.7
221.13945	4.7
226.21861	1.3
229.21626	10.8
239.14864	1.8
265.16541	1.5
273.24280	5.7
283.17480	2.5
309.18845	1.2
327.20151	7.4
339.76425	0.9
371.22809	7.7
436.33093	2.0
450.73581	1.0
479.08316	1.0
511.38470	14.7
528.37103	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38418	3.2
55.05515	18.7
57.03443	7.5
60.78307	3.0
67.05509	74.4
68.77316	2.9
69.03370	3.6
69.07087	16.8
71.01350	5.1
71.52110	4.3
72.29971	3.5
73.02905	4.3
73.42725	3.4
79.05498	41.9
80.09930	3.5
81.03415	7.8
81.07063	100.0
83.05008	3.8
83.08614	8.8
85.02904	12.8
91.05499	26.9
93.07045	57.9
95.01344	7.2
95.04964	3.4
95.08615	79.0
97.06506	4.4
97.10172	4.0
105.07043	22.5
107.08599	39.8
109.10162	35.7
111.08057	4.6
117.06997	8.3
119.08570	15.8
121.10159	24.6
123.11713	23.1
123.12463	3.6
131.03375	4.4
131.08546	22.0
133.10139	14.7
135.11690	23.5
137.13219	9.7
137.31197	3.2
141.01825	14.7
143.80980	4.1
145.10133	15.5
147.11719	11.0
149.13283	20.7
151.11203	4.1
159.11703	14.2
161.13242	8.1
163.14810	13.1
173.13292	19.2
175.14938	6.0
183.11703	4.1
187.14795	8.8
243.21097	25.7
261.22128	92.3
279.23114	6.3
296.84412	3.7
333.24075	5.1
335.25842	25.7
353.26938	77.0
419.24127	3.5
431.27716	8.1
471.32855	4.4
511.29401	5.0
529.37555	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	529.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03424	0.3
62.41024	0.3
67.05496	1.1
69.03441	0.8
69.07077	1.4
71.52322	0.4
71.52706	0.4
77.74387	0.3
79.05493	1.1
81.03435	0.4
81.07069	2.3
83.04991	0.7
83.08627	0.5
85.02905	0.7
89.06046	0.4
91.05486	0.7
93.07042	0.8
95.04977	0.8
95.08626	1.6
97.02858	0.6
97.06526	1.2
105.07057	0.7
107.08611	0.8
109.02866	0.4
109.10164	0.9
111.11735	0.6
112.89407	0.3
119.04925	0.3
119.08584	0.5
121.10149	0.7
123.11716	0.9
127.03905	0.5
129.12794	0.5
130.13068	0.3
131.08478	0.3
133.10208	0.7
135.11716	0.7
137.06004	0.5
147.04347	0.4
149.13234	0.4
163.03934	0.4
165.01935	0.4
183.02855	0.4
188.39565	0.4
191.03476	0.3
193.12306	0.4
219.02888	0.7
237.61787	0.3
241.08643	0.3
255.41818	0.3
268.16379	0.4
307.26343	0.5
326.57321	0.3
331.22815	0.5
337.10651	0.7
343.28345	0.3
367.11716	0.5
367.28256	0.3
378.76572	0.3
409.13693	0.3
499.32187	1.6
511.32388	0.5
529.33496	100.0
530.33875	0.7
554.25287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83989	0.4
58.06591	2.1
67.05526	0.9
70.06599	0.4
71.52164	0.4
81.07059	1.2
82.06589	1.7
83.07368	6.3
84.61802	0.4
89.06014	0.5
93.07055	0.9
95.08615	0.8
96.48204	0.4
98.09702	78.3
103.14898	0.4
107.08583	0.4
116.07114	0.7
116.10750	3.5
119.08624	0.5
164.17018	0.4
196.07356	100.0
251.22861	0.4
329.09445	0.4
335.25995	0.5
348.07431	0.4
388.64853	0.4
495.29749	0.9
512.31573	0.9
529.32452	0.4
530.32288	3.2
552.53314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01876	9.8
55.05516	27.0
57.03186	2.1
57.03444	19.1
59.05000	3.4
59.94424	1.2
65.03914	1.7
66.28067	1.2
67.05511	31.7
69.03428	5.9
69.07080	9.6
69.42731	7.5
70.06600	10.2
71.04994	7.6
71.08642	1.7
79.05500	35.3
81.03423	63.8
81.07063	37.1
83.01344	8.9
83.04984	24.0
83.08627	26.4
85.02906	21.5
85.06532	2.3
89.06019	2.5
91.05490	33.8
93.07053	37.3
95.04968	25.1
95.08604	17.2
97.02895	3.9
97.06551	8.8
97.10181	5.9
98.21532	1.4
99.04443	2.1
99.08084	3.8
105.04554	2.2
105.07031	26.4
107.04968	11.3
107.08595	17.6
109.06532	12.2
109.10156	3.6
111.04458	2.7
111.08089	9.7
113.05960	2.0
115.05477	1.6
116.07107	11.6
117.07021	7.7
119.08601	21.9
121.06499	3.3
121.10154	15.3
121.21212	1.5
123.08115	7.8
123.11727	1.3
125.09621	1.8
129.07030	9.9
131.08557	12.0
133.06548	2.2
133.10139	10.2
135.08093	1.7
135.11717	8.7
139.11220	2.5
142.07823	1.9
145.10149	14.1
147.08028	4.6
147.11707	10.5
149.09601	3.9
153.12715	3.1
155.08601	1.7
157.10118	9.1
163.11198	20.8
165.09149	1.5
165.12759	2.1
171.13884	2.6
173.09569	2.0
175.11214	13.0
181.12247	3.2
183.03133	1.4
191.10614	1.3
193.12259	41.5
209.11674	7.9
211.13304	77.6
227.12825	6.8
267.15973	15.4
283.15408	100.0
285.16974	57.3
304.83920	1.4
316.52399	1.3
383.22305	1.9
413.12180	5.9
457.25845	2.1
475.27054	14.1
493.28012	88.6
510.18475	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.3
56.75356	1.9
57.07080	100.0
57.20170	1.8
58.04203	3.3
59.04720	2.5
59.05005	38.4
59.43801	2.1
67.05488	8.1
69.07064	6.2
71.08638	73.8
73.02917	3.0
75.61719	2.2
79.05479	5.1
81.07043	8.8
83.04962	2.7
83.08607	5.8
85.10191	62.9
87.04447	6.4
89.06045	17.2
90.01923	18.8
91.05473	8.7
93.07036	4.7
93.97874	2.2
95.04946	2.5
95.08596	5.5
97.10161	3.8
99.11726	17.0
101.05982	2.7
105.07039	6.6
107.04949	2.6
107.08645	3.1
109.10197	2.9
113.13277	2.9
117.07055	2.2
117.09176	11.2
119.08576	3.0
131.08551	3.0
133.08588	7.9
155.17973	9.2
177.11220	2.7
178.07109	5.2
180.49004	2.3
183.17455	3.7
193.12352	2.5
197.02940	2.2
198.58121	2.3
212.21498	2.9
213.22137	17.1
222.09738	4.1
223.15425	4.1
240.10750	2.7
266.12302	2.4
271.26382	6.3
327.20181	4.8
328.20447	5.4
527.37396	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	526.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.1
57.03444	20.5
57.07077	7.1
59.04998	5.8
60.04515	3.0
61.02922	5.8
67.05512	12.7
69.03436	84.0
69.07062	8.2
69.95869	1.8
70.06595	10.6
71.04987	4.6
71.51283	2.3
71.51630	3.4
73.02915	5.8
79.05476	4.3
81.03452	9.9
81.07068	30.9
82.06558	8.7
83.04974	3.4
83.08611	13.4
84.08145	2.9
85.02912	95.9
87.04473	54.4
91.05488	3.1
93.07034	4.3
94.60950	2.1
95.04949	3.8
95.08614	38.6
97.02901	88.2
97.06532	2.0
97.10179	12.4
99.04466	8.3
100.11318	4.3
107.04948	2.4
107.08588	3.5
109.02883	7.1
109.09476	3.6
109.10166	49.8
111.04436	3.7
115.03943	91.4
121.10153	4.3
123.11713	53.0
126.05461	2.0
127.03933	26.2
128.07080	5.5
133.04976	100.0
137.05997	4.6
137.13257	19.2
138.09140	3.2
139.03894	3.6
144.51675	1.9
145.04971	36.3
150.07634	10.2
151.28030	2.0
161.09604	2.6
163.06029	14.3
166.08667	6.4
167.07021	2.1
167.98944	1.8
168.52072	2.0
169.04953	2.6
177.05534	3.3
177.16389	5.4
179.17979	47.5
195.17497	8.2
197.19014	51.8
223.06131	2.5
241.07114	6.0
259.08154	8.2
277.09271	5.4
295.10181	7.5
329.23328	9.9
359.24371	5.0
395.71457	2.4
487.08899	2.4
526.22009	3.9
526.43597	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	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05277	1.2
55.05518	17.0
57.03440	12.2
57.07077	6.4
59.04992	5.2
65.03918	2.1
67.05509	100.0
69.07073	17.0
69.19415	1.4
69.19811	10.0
71.04985	2.9
71.08634	2.7
79.05502	7.8
81.07060	40.9
83.08620	13.0
85.06533	4.1
85.10198	2.0
89.06030	20.3
91.05476	9.2
93.07053	11.7
95.05021	1.7
95.08614	32.2
97.06540	2.9
97.10187	5.4
105.07039	4.9
107.08620	6.0
109.10164	71.7
111.08073	3.4
119.08581	9.4
121.10178	5.6
123.08063	1.5
123.11735	5.5
127.11215	1.5
133.08623	11.7
133.10109	3.5
135.11757	2.1
137.09645	2.7
137.13223	2.3
147.11696	4.2
149.13292	1.5
151.14821	1.4
155.10698	6.4
161.13339	1.2
173.11737	18.3
175.14781	1.4
177.11176	3.1
223.42099	1.1
229.14360	91.2
239.14821	1.4
245.22658	2.8
263.23657	5.6
327.20056	11.4
328.74408	1.2
331.71924	1.2
337.27371	93.6
338.27924	1.3
474.68964	1.4
491.37347	72.6
511.78412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1919
Annotation	Physalin Z
Peak:m/z	Relative Intensity
55.01855	1.8
55.05521	3.2
57.03425	0.5
61.02916	0.6
65.03929	0.6
67.05510	5.2
68.99789	0.9
69.03419	1.2
69.07073	2.2
69.07384	0.4
70.06586	0.5
71.01360	0.8
71.04979	1.3
71.52511	0.8
79.05151	0.5
79.05505	5.3
81.03398	1.7
81.07059	5.6
83.05002	0.8
83.08593	1.6
84.02107	0.5
85.02885	1.4
91.05497	5.0
93.07056	3.4
95.01373	0.4
95.04953	1.9
95.08634	2.3
97.02859	0.7
97.06522	3.1
97.10194	1.0
99.00822	3.3
105.07048	4.7
107.04941	0.7
107.08566	1.7
109.06500	0.9
109.10171	2.2
111.04453	0.6
112.01583	2.8
113.02317	0.5
117.07018	0.8
119.08569	2.8
121.10130	1.4
123.04424	0.7
123.11665	0.5
125.09575	0.5
127.00282	3.8
127.03932	0.5
129.06987	2.0
131.04901	0.7
131.08583	1.5
133.10153	2.6
135.11690	0.7
137.02309	1.1
140.01035	0.9
141.01855	0.8
141.06992	0.7
145.06566	0.5
145.10110	0.7
146.36037	0.5
147.04404	0.9
147.08052	0.5
147.11685	1.9
149.09605	1.8
153.01839	0.6
153.07024	0.6
154.02600	0.6
154.99785	0.9
157.04987	0.7
157.10165	1.7
159.11653	0.8
161.06013	1.2
165.07028	0.6
165.12726	0.6
167.07111	0.5
167.08563	0.6
168.00552	32.1
169.01320	1.5
169.04991	1.1
169.06377	0.6
171.07883	0.6
173.05981	2.3
175.11209	1.8
177.05544	0.8
181.06506	1.5
183.02901	100.0
184.03160	0.7
185.06006	0.5
186.01602	18.5
187.07515	2.0
193.12250	1.2
195.08080	0.5
197.05963	1.6
198.06845	0.7
199.07561	2.0
201.03880	2.9
201.05211	0.5
201.05588	0.9
209.06024	0.5
211.07503	1.3
211.13333	0.5
212.08354	0.6
213.05511	0.9
213.09100	0.9
215.06993	0.8
219.07870	0.5
223.07576	0.8
224.04752	0.8
225.05476	1.1
225.09167	0.8
235.14960	0.5
237.05623	0.5
239.07051	0.6
241.05019	0.7
241.19551	0.6
243.06468	0.5
251.07152	0.8
255.06601	1.4
259.20538	0.8
269.04504	1.0
270.05240	0.8
281.04413	0.7
285.03925	1.4
286.04636	0.6
291.06580	0.7
295.05988	1.2
297.11343	1.2
298.04697	1.1
301.03720	0.9
301.07147	1.3
302.04221	5.8
307.06122	0.9
307.13345	1.7
309.03937	0.6
309.07568	0.5
309.14929	0.7
310.04639	2.4
311.05539	1.4
313.03360	2.0
313.06885	0.7
314.04218	1.3
317.06543	9.8
319.05978	0.6
320.07077	0.6
321.07581	0.9
323.05579	1.1
324.06171	1.1
325.07120	1.1
325.14096	0.9
326.04239	12.4
327.05029	0.8
327.15973	0.8
328.05753	3.7
329.06613	1.6
333.07504	0.9
335.05527	0.7
335.09232	0.7
335.12772	1.4
336.06473	1.2
337.07150	1.5
338.04181	1.7
339.05008	2.6
339.08670	0.7
340.05728	1.9
341.06595	17.3
347.05307	1.0
349.07068	0.9
351.04956	1.6
351.08597	1.3
351.25345	1.4
352.05582	1.0
353.06836	3.9
353.13864	9.1
354.07242	1.1
355.08182	1.1
361.07156	0.8
362.07672	0.6
364.05722	0.9
365.06558	3.5
367.08176	2.1
368.05383	0.5
369.09637	0.7
377.10217	0.6
379.08255	2.8
380.08963	0.7
381.09555	1.1
383.07605	1.1
393.09778	1.8
398.20786	0.6
422.13376	0.7
424.15125	0.9
437.16034	0.7
445.16122	1.2
449.16211	0.6
453.15494	1.3
463.17279	3.0
465.15393	3.3
473.15726	2.5
481.18695	1.7
483.16824	0.5
491.16870	13.3
509.18106	47.9
510.18362	0.8
527.19141	48.4
527.31726	1.6
528.19025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.52269	1.1
55.01872	7.5
55.05280	1.1
55.05517	12.2
57.03441	6.8
59.05007	5.5
67.05508	11.2
69.07066	9.4
71.01353	1.2
71.04984	3.8
71.52170	1.1
79.05499	11.3
81.03408	8.7
81.07066	14.8
83.01338	7.0
83.04999	9.1
83.08614	12.3
85.02890	3.1
85.06483	1.6
89.06040	2.7
90.25169	1.2
91.05488	12.3
93.07047	23.4
95.05006	5.5
95.08608	6.8
97.02892	2.3
97.06511	6.3
99.04443	1.5
100.82495	1.0
105.07034	5.1
107.04964	4.6
107.08585	11.6
109.06534	5.3
109.10151	3.9
111.04449	1.4
111.08087	1.8
111.76374	1.0
117.07027	3.5
119.08584	7.5
121.06546	2.7
121.10139	7.1
123.08073	6.1
125.05955	1.5
125.09647	1.3
131.08598	2.0
133.10106	1.2
135.08032	2.0
135.11696	9.8
145.10114	12.8
147.08014	1.9
149.13255	7.9
153.12733	3.7
163.11182	16.3
167.14351	8.6
167.15558	1.2
171.13847	1.9
173.09613	1.7
181.12234	2.8
185.15376	10.5
191.10699	1.9
209.11763	7.8
227.12880	3.0
243.19609	2.5
283.15405	100.0
285.86295	1.1
301.23773	1.4
310.92038	1.2
491.26346	31.8
509.18207	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.3
57.07080	3.3
65.69957	2.9
67.05509	24.5
69.07070	34.3
69.74780	6.8
69.75196	9.3
71.04955	5.6
79.05463	15.5
81.07063	100.0
82.05492	2.7
83.08637	13.7
85.02898	16.3
85.06552	29.8
91.05473	6.6
93.07043	30.4
95.08612	68.3
97.02928	4.0
97.10151	11.3
98.20854	6.2
99.08104	31.8
105.07014	9.5
107.08595	33.8
109.10170	38.4
111.08097	6.3
111.11716	8.0
113.09634	7.7
117.29553	3.1
119.08588	7.3
121.10145	31.5
123.11703	24.5
124.27414	2.8
125.09601	3.9
127.03954	4.2
133.10091	3.7
135.11674	18.0
137.13242	15.6
139.11172	4.3
147.11728	3.4
149.13243	26.9
151.14803	4.1
153.12816	3.0
161.13319	2.6
163.14813	10.0
167.14186	3.0
177.16365	24.0
193.79898	3.3
195.17450	24.1
210.48030	2.6
213.18489	91.6
217.19481	4.4
235.20615	3.5
253.85005	3.1
261.25699	4.4
273.25870	4.9
279.26801	6.5
291.26840	23.7
297.28134	15.1
298.60168	2.7
309.27905	44.4
327.28906	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83488	0.4
64.20656	0.5
69.03423	1.1
70.81143	1.0
78.03461	1.5
81.03408	0.9
85.02900	2.4
88.56525	0.5
94.23772	0.5
97.02898	93.0
106.02921	5.7
109.02888	0.6
124.03059	0.8
124.03970	15.6
127.03928	100.0
145.04950	0.5
147.60320	0.4
159.71365	0.5
190.83691	0.5
220.06061	24.0
228.27344	0.5
238.07086	7.9
254.06627	0.5
256.08173	1.2
289.09247	7.5
400.12436	10.0
533.51953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.83539	0.4
55.88548	0.4
59.85513	0.4
69.03434	2.3
69.07037	0.6
70.06583	0.8
70.46210	0.7
70.46542	0.7
72.08132	0.4
78.03457	2.0
80.05004	0.6
81.03424	0.8
81.07075	0.6
82.06591	0.5
83.04977	0.4
85.02913	1.2
88.87762	0.4
91.05489	0.6
93.07061	0.4
95.08648	0.7
96.04508	0.7
97.02898	100.0
98.03189	0.6
98.20813	0.4
106.02924	6.9
107.08636	0.5
113.03304	0.5
116.07068	0.4
121.10148	0.8
124.03964	11.4
127.03915	5.4
167.07127	0.5
177.16446	0.8
178.16663	0.5
183.02869	1.0
214.18979	0.6
220.06059	25.6
238.07101	4.0
241.08557	0.5
254.06638	0.9
256.08276	0.7
400.12408	11.7
526.19000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.05035	0.8
59.04980	1.0
61.41940	0.4
69.03438	0.9
69.38015	1.0
69.38435	2.0
70.06580	0.9
79.05505	0.6
81.03423	3.4
81.07059	0.6
82.06565	0.6
84.08146	23.4
85.02879	1.9
86.91369	0.4
89.03917	3.6
90.77996	0.4
93.07022	0.6
97.02893	0.7
99.04459	1.0
100.07652	0.6
105.07018	0.6
109.02886	1.8
109.06509	0.6
117.02528	0.6
117.03389	13.3
124.11236	15.2
126.69852	0.4
127.03916	0.7
134.03625	0.9
135.04393	0.7
137.05971	0.6
139.11131	0.5
142.12283	46.7
145.02853	44.8
148.53917	0.5
149.05974	5.2
163.03831	0.7
168.69676	0.5
168.82297	0.4
170.11777	32.1
177.05482	73.3
188.12830	100.0
194.02594	0.5
195.06470	0.6
224.12926	0.5
224.18477	0.5
237.05527	0.5
292.08615	0.5
321.09650	3.2
339.10828	3.3
350.18097	6.3
389.07275	0.5
454.37848	0.5
480.22638	0.5
526.22864	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69752	0.9
55.01873	2.0
55.05516	4.8
55.57847	0.8
56.85856	0.9
57.03435	3.6
61.02937	1.5
67.05509	2.8
69.03439	14.2
69.07075	6.9
70.06604	1.1
70.26599	3.5
70.27263	0.8
71.04990	1.9
73.02910	3.9
79.05491	2.8
81.03419	3.3
81.07066	9.6
83.08620	6.3
85.02909	16.3
85.06544	1.3
87.04494	6.0
91.05466	2.3
93.07063	7.6
95.08615	22.5
97.02902	15.8
97.06532	1.0
97.10178	5.3
98.21404	1.7
99.04451	1.9
99.08099	13.0
105.07035	3.1
107.08606	19.7
108.04459	0.9
109.02866	1.7
109.10138	5.5
111.08109	2.6
111.11730	1.1
113.09636	2.4
115.03940	14.8
121.10154	35.3
125.09669	5.1
125.13293	0.9
127.03948	5.8
133.04974	14.0
134.17195	0.8
135.11723	7.4
136.07593	1.8
137.13292	4.3
138.09160	4.8
139.09521	1.6
139.11185	1.7
145.05006	6.0
145.05984	0.9
147.31503	0.9
149.13231	2.4
163.06035	2.5
164.07045	1.1
166.08656	10.6
167.09026	4.4
174.14554	1.0
177.16403	100.0
182.58107	0.9
195.17465	37.2
213.18510	28.1
216.06210	0.9
231.19566	2.4
241.07146	1.6
259.08200	2.7
295.10181	1.5
311.13171	1.1
390.58893	0.9
497.42160	1.0
525.24286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01875	2.4
55.05512	14.3
57.07071	5.8
65.03949	1.7
67.05181	2.2
67.05513	26.9
69.03423	6.7
69.06737	2.1
69.07079	27.1
69.48177	4.9
69.48603	7.7
73.02904	2.1
79.05502	15.9
81.03409	2.3
81.07065	100.0
83.08627	15.3
85.02911	20.8
85.06547	28.0
91.05486	7.6
93.07055	25.7
95.08617	83.6
97.02892	5.6
97.06513	3.5
97.10168	9.3
99.04469	2.1
99.08103	23.9
105.07036	10.5
105.47530	2.1
107.08602	43.1
109.02885	2.6
109.10171	60.1
111.08076	7.0
111.11726	8.1
113.09657	8.3
115.03954	2.4
119.08597	11.0
121.10150	31.0
123.11715	39.2
125.09625	4.5
127.03951	6.2
127.11195	6.1
133.04984	2.0
133.10156	6.3
134.05298	2.1
135.11702	22.0
137.13269	17.9
139.11200	2.0
145.04929	3.1
147.11682	5.5
149.13275	41.2
151.14850	6.5
153.12717	3.0
161.13278	9.2
161.14473	1.9
163.14853	28.1
165.16440	3.8
167.14380	3.1
175.14813	6.6
177.16415	21.1
178.16687	2.9
179.17941	1.9
181.15851	5.5
185.01033	1.9
187.14757	2.7
189.16429	6.1
191.17972	9.5
195.17525	5.6
196.17830	1.9
197.19144	3.7
203.17975	5.5
205.19603	4.5
209.19093	4.1
211.20386	2.0
217.19530	9.0
219.21263	1.8
221.19118	3.4
223.20576	2.8
233.22499	2.3
235.20547	6.1
247.24277	4.3
257.18500	2.0
265.25275	6.0
273.25800	23.2
279.26825	5.1
291.26849	72.8
309.27945	34.2
327.29224	9.0
511.98419	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80866	0.4
53.03941	0.7
53.07859	0.4
55.01880	0.4
55.05507	1.6
57.07073	0.4
57.93526	0.4
67.05512	2.5
69.03433	1.1
69.07078	2.7
69.57458	1.4
69.57880	0.9
71.05021	0.5
73.02948	0.4
79.05499	2.0
81.03419	0.8
81.07063	7.7
83.04965	0.3
83.08620	1.4
84.04491	0.4
84.08112	0.4
85.02897	2.1
85.06554	2.0
91.05482	1.1
93.07047	2.8
95.04968	0.5
95.08608	6.9
97.02898	39.9
97.06561	0.5
97.10166	1.1
99.08098	1.5
105.03409	3.2
105.07037	1.4
107.08598	3.8
109.02899	0.6
109.10170	5.0
111.08097	0.7
111.11732	0.7
113.09689	0.7
119.08591	1.3
121.10140	3.2
123.08044	0.4
123.11720	3.3
124.03954	0.4
127.03925	100.0
130.59494	0.3
131.08624	0.6
133.10101	1.3
135.11748	1.7
135.22906	0.3
137.05963	0.7
137.09662	0.7
137.13289	1.3
145.10110	0.5
147.11703	1.0
149.13275	3.4
151.11203	0.4
158.10664	0.4
161.13272	0.7
163.14828	2.0
177.05469	1.1
177.16389	1.0
179.23643	0.4
181.15875	0.5
191.14325	0.6
191.17966	0.6
203.18098	0.6
207.28751	0.4
217.19655	0.6
219.06589	0.4
237.07584	0.7
273.25836	1.5
279.26904	0.4
289.09158	3.2
291.26865	3.7
293.78265	0.4
309.27844	1.8
313.03412	0.4
327.28955	0.8
350.16318	0.4
363.07123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.5
55.05510	3.3
57.03415	0.8
57.07080	0.9
60.00283	0.5
60.80679	0.5
67.05521	4.1
69.03436	1.7
69.07079	5.2
71.04989	0.7
71.51948	0.5
78.92285	0.4
79.05506	2.1
81.03429	0.8
81.06588	1.0
81.07066	13.7
83.04980	1.0
83.08625	2.6
83.74328	0.5
85.02925	2.4
85.06539	2.0
91.05491	2.0
93.07076	5.4
95.04970	1.0
95.08617	9.8
97.02880	0.8
97.06544	1.2
97.10175	1.7
99.04491	0.8
99.08102	1.3
103.05466	0.5
105.07047	3.5
107.08617	3.5
109.02947	0.6
109.06507	0.9
109.10163	5.4
111.08097	1.2
111.11739	1.6
117.07062	0.5
119.08595	2.2
121.06505	0.8
121.10114	3.0
122.88286	0.5
123.08122	0.6
123.11732	2.7
125.09605	0.7
127.03934	0.7
127.11234	0.7
131.08563	0.6
132.05788	0.5
133.10136	1.9
135.11699	1.3
137.13295	2.8
139.11143	0.8
141.01804	0.5
143.08551	0.7
145.10168	2.0
147.08032	0.7
147.11726	1.0
149.06155	0.5
149.13286	1.8
153.12782	0.7
155.14325	1.0
157.10120	0.7
159.11699	1.1
161.06104	0.6
161.13310	0.8
163.11205	0.6
167.14360	0.7
173.13284	0.7
173.15411	2.2
177.05458	0.8
177.16408	0.8
201.03798	0.8
203.05275	1.0
221.18954	0.6
226.03091	0.5
227.05151	0.6
237.72835	0.6
243.04822	1.6
245.06471	1.3
246.89749	0.6
257.19052	0.6
259.16727	4.3
261.18286	10.2
277.17795	14.4
287.03665	8.0
289.05353	9.2
291.26910	2.4
309.27884	3.5
313.23840	1.6
315.04956	0.8
327.28986	1.0
345.30032	2.1
349.23776	1.3
372.91040	0.6
375.96103	0.6
377.87100	0.5
439.23102	2.9
446.02631	0.6
479.98117	0.5
481.24219	13.3
507.12640	0.9
507.22128	0.5
507.29593	1.1
525.23114	100.0
526.23621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35414	0.3
54.76181	0.3
55.60879	0.3
57.03423	0.5
58.06346	0.3
58.06603	3.5
60.04546	0.3
67.66864	0.3
69.03432	3.5
69.07059	0.4
70.06592	1.0
71.05000	0.5
71.51909	0.3
72.04521	8.2
73.02915	0.5
73.91936	0.3
81.03416	1.4
82.06594	0.9
83.05022	0.3
85.02916	5.5
86.09718	0.6
87.04475	4.1
91.05483	0.7
93.07079	0.3
97.02906	1.8
98.06061	0.6
99.04449	0.6
100.07623	100.0
101.07958	0.3
103.10952	0.3
107.04959	0.3
109.02901	0.7
111.04485	0.4
118.08656	1.0
119.04928	1.5
121.02889	0.3
127.03947	1.5
131.04922	0.4
136.07571	0.6
143.04932	0.5
147.04420	5.6
152.07086	0.3
165.05531	0.4
171.04454	0.6
174.14830	0.3
183.20906	0.3
185.05923	0.4
189.05565	0.3
201.05498	0.6
217.15500	1.6
256.75894	0.3
262.12921	1.1
273.07443	0.3
284.15033	0.7
291.08649	0.3
343.18835	0.8
361.19702	9.4
426.17627	3.5
466.20529	0.7
525.24530	76.0
526.24719	1.0
540.32550	0.3
550.08459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05511	5.2
57.03430	3.0
61.02930	2.0
62.72794	0.8
63.34196	0.9
67.05495	2.2
69.03434	11.6
69.07072	8.8
70.60384	1.2
70.60718	1.9
71.05003	2.3
71.57529	1.1
73.02916	5.4
73.77106	0.9
79.05502	2.7
81.03415	2.1
81.07067	9.1
83.08636	5.0
85.02911	21.9
85.06539	1.3
87.04455	4.2
91.05483	1.5
93.07050	7.1
95.08613	23.5
95.62064	0.9
97.02900	17.5
97.10184	4.5
97.87167	1.1
99.04446	2.0
99.08104	10.3
105.07070	1.6
107.08601	22.4
109.02885	2.0
109.10156	4.7
111.08095	3.7
113.09664	2.1
115.03937	10.7
121.10155	34.5
123.11707	1.4
125.09637	6.0
127.03952	6.4
133.04985	10.9
135.11732	6.7
137.13272	3.8
138.09137	3.3
139.09496	1.2
145.04971	5.9
149.13229	3.2
163.06023	4.0
164.07031	1.3
166.08659	10.8
167.09015	4.9
177.16399	100.0
184.09663	1.3
195.17455	38.4
213.18510	32.3
223.05963	2.4
231.19566	1.8
241.06929	1.8
259.08136	3.3
267.28091	1.0
277.08908	1.2
295.10135	2.0
422.10443	0.9
525.20087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.9
56.05030	1.1
57.03439	0.7
57.07082	4.1
58.06602	1.0
60.08168	18.2
67.05506	0.9
69.07068	1.0
70.06590	0.3
71.07384	6.1
71.08641	2.6
74.09692	0.3
81.03430	0.6
81.07058	1.0
83.08645	0.6
85.10184	1.6
86.09713	50.8
91.97024	0.3
93.07031	0.5
95.08605	1.3
97.10165	0.6
98.20770	0.8
98.98468	3.1
104.10751	100.0
109.10172	0.6
125.00015	27.6
163.01544	0.7
184.07355	94.5
193.12227	0.4
231.76900	0.3
249.47072	0.3
258.11145	0.8
267.16037	0.4
314.27628	0.5
341.30432	1.4
506.36008	9.6
524.37122	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44719	1.4
55.05514	11.0
57.03447	14.5
57.07082	8.4
59.05001	5.2
59.22863	1.6
65.03919	3.4
66.13186	1.3
67.05510	100.0
69.07069	9.6
69.35973	6.7
69.36400	4.9
70.60966	1.4
71.05005	4.0
71.08638	7.1
79.05499	19.1
81.03429	6.2
81.07065	37.7
83.05035	1.5
83.08646	8.1
85.06548	2.7
85.10188	4.4
87.04483	3.3
91.05496	14.6
93.07051	25.9
95.04985	3.9
95.08616	27.5
97.06573	1.7
97.10197	2.3
105.04533	1.5
105.07018	7.0
107.08602	12.1
109.06543	1.7
109.10172	74.7
111.08120	3.3
117.07054	2.8
119.08627	10.9
121.10167	9.3
123.11737	3.2
131.08589	6.1
133.10156	5.4
135.11725	7.3
137.09657	2.1
145.10098	4.4
147.11731	3.7
148.06671	1.4
149.13243	4.0
155.10686	5.9
159.11713	1.6
161.13263	3.4
163.14793	1.6
173.11757	17.6
173.13202	2.5
187.14836	1.5
193.12195	1.8
194.07893	1.4
203.05849	1.5
213.64580	1.5
227.12787	2.4
229.14384	72.4
240.83037	1.5
243.21242	3.5
259.21140	1.6
261.22098	11.3
267.16028	3.2
268.16269	3.5
313.27505	2.2
314.27805	4.2
317.24915	1.8
335.25830	70.6
344.02130	1.6
353.20193	1.7
372.77161	1.7
456.68442	1.4
489.35773	50.2
506.39621	2.2
524.40277	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	524.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87947	2.2
57.03436	7.2
57.07082	100.0
57.26624	2.0
59.05008	95.7
65.60066	2.0
69.07079	4.0
71.08640	99.1
71.12612	2.6
71.67655	2.1
83.08630	3.9
85.10191	95.5
86.75246	2.5
97.10187	2.4
99.11726	12.0
101.09652	8.9
117.09145	30.7
140.52399	2.1
141.16409	8.0
175.13324	7.1
188.57712	2.4
199.20615	20.6
213.22195	4.5
257.24823	36.1
271.26245	2.3
273.60458	2.4
315.28970	3.7
398.27542	8.8
507.42712	5.3
524.34259	71.3
524.41473	4.4
552.34943	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	525.1398
Annotation	Mayoside B
Peak:m/z	Relative Intensity
53.03948	0.7
55.01871	0.6
55.05513	0.7
59.04986	0.6
67.05499	0.8
69.07068	0.7
69.37717	1.2
69.38141	2.1
72.09553	0.4
77.03935	0.6
79.05492	1.6
79.31168	0.4
81.03425	0.8
81.07059	1.5
83.08612	0.8
87.37601	0.4
91.05492	2.7
93.07041	1.6
95.04980	1.1
95.08616	1.4
97.06538	1.0
97.10162	0.5
102.04684	0.8
103.05479	3.7
104.06248	1.6
105.03404	0.8
105.07027	2.6
106.04168	0.5
107.04988	1.7
107.08624	0.9
109.06557	0.4
115.05496	0.7
117.06966	0.5
118.04179	1.8
119.04952	0.9
119.08556	0.6
121.02916	0.7
121.06503	2.3
121.10169	0.6
123.04432	1.3
124.05242	0.4
125.02398	0.6
129.07013	0.5
130.04170	1.2
131.04939	11.7
131.08626	0.5
132.05719	11.9
133.02850	0.5
133.06506	2.3
135.04408	0.8
135.08124	0.4
137.05984	1.1
140.04686	2.8
145.10121	0.8
146.03664	2.0
147.04433	1.5
148.05211	0.6
149.02274	0.6
149.06023	2.3
153.01839	2.8
153.05554	0.7
154.06261	1.5
155.07059	0.9
159.04457	0.8
160.05176	4.8
161.05992	4.1
162.03152	0.7
163.03934	1.2
165.05487	1.6
167.07069	6.0
171.04553	0.5
173.06044	0.5
176.04759	2.0
177.05493	6.2
178.06288	2.4
179.07178	0.5
179.77269	0.5
180.07802	2.5
181.08586	0.6
182.09364	0.6
183.02890	0.5
187.03934	1.0
191.07042	4.1
192.07820	10.8
193.08607	0.5
201.05553	0.7
203.03448	0.8
213.05493	1.0
216.04097	1.9
217.04970	1.9
228.04214	1.7
229.04955	2.0
230.05759	0.4
231.06619	1.1
240.04399	0.5
241.04918	3.2
243.02940	0.7
243.06656	1.6
244.03607	3.0
245.04483	3.4
256.03735	0.6
257.04459	4.1
258.05371	0.7
259.06012	5.4
269.04404	2.0
271.06027	2.1
272.03183	0.7
273.03955	3.2
276.01837	0.4
283.06189	0.9
284.03241	0.7
285.03952	4.0
286.04745	1.7
287.05518	18.7
299.05579	1.3
301.03445	8.9
301.06775	0.5
302.04181	3.5
313.03455	5.9
314.04138	0.7
315.05008	8.0
316.05804	2.9
317.06580	3.4
327.04944	3.9
343.04547	3.6
353.06506	2.2
357.06155	1.8
371.07745	2.7
413.22330	0.5
475.10410	4.1
477.08408	0.9
492.10507	0.7
493.17978	0.6
495.12918	1.8
507.12833	8.9
525.13971	100.0
526.14514	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	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01860	5.1
55.05515	18.6
57.03439	20.0
57.07081	59.4
59.05016	3.7
60.08173	2.5
65.03946	3.2
67.05516	27.4
69.03434	3.2
69.07063	12.5
69.14513	19.8
71.08636	49.3
79.05502	22.2
81.03423	98.4
81.07059	33.7
81.26777	2.6
83.04974	9.2
83.08631	29.9
85.02886	3.2
85.10188	23.7
86.09703	6.8
87.04485	4.8
89.06036	7.4
90.01924	5.5
91.05486	22.3
93.07044	9.7
95.04976	21.0
95.08615	26.5
97.10159	7.2
99.08124	2.4
100.01940	2.1
103.05522	2.7
104.10736	10.9
105.07053	13.0
107.04945	9.0
107.08619	5.0
109.06516	4.2
109.10175	16.1
111.08070	8.8
117.06986	3.0
119.08624	13.6
121.06510	4.8
121.10131	11.0
123.11691	3.7
129.07001	10.3
131.08588	9.8
133.08682	3.3
133.10127	4.4
142.07788	4.3
147.11720	6.5
149.09627	4.7
157.10117	10.8
175.11188	9.6
184.07420	13.6
193.12241	44.8
195.82452	2.4
211.13301	7.0
215.00877	2.8
218.65045	2.3
239.23671	7.1
249.15033	4.9
250.43063	2.5
257.24902	2.8
263.82681	2.2
267.15933	100.0
277.21600	3.3
313.27383	99.7
314.53860	2.5
351.34949	3.3
505.38962	65.7
523.40228	19.5
524.37262	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	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	1.0
55.05514	11.3
57.03440	5.3
57.07080	30.0
59.05010	0.9
67.05511	19.8
69.03413	1.2
69.07071	9.5
71.04986	2.2
71.08636	19.9
71.51925	1.0
79.05493	12.3
81.03423	27.5
81.07061	26.7
83.04984	5.0
83.08625	17.3
85.02911	14.6
85.06558	1.4
85.10181	10.4
91.05482	15.6
93.07047	7.1
95.04972	13.7
95.08607	19.2
96.48203	0.8
97.02890	1.5
97.06554	2.0
97.10153	4.5
99.08112	0.8
103.34215	0.8
105.07034	11.2
107.04964	2.7
107.08585	2.4
109.06558	1.6
109.10165	8.9
111.08095	4.7
113.05985	1.1
115.05457	0.9
118.70101	0.9
119.08587	9.1
121.10135	5.7
123.08076	0.9
123.11731	4.3
125.13300	0.9
129.07008	4.3
131.08580	5.1
133.06520	1.7
133.10120	6.6
137.13297	1.3
142.07755	1.6
145.10172	0.9
147.08051	1.1
147.11694	5.4
149.09657	2.8
157.10156	6.2
165.12798	1.6
167.15851	0.8
175.11166	6.0
193.12263	28.1
211.13306	31.9
218.64442	0.8
239.23630	3.9
267.15945	11.0
285.17188	1.2
313.27432	8.8
413.78354	0.8
505.38922	6.4
508.33264	0.8
523.39960	100.0
524.40784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01874	1.6
55.05501	1.2
57.03450	1.7
61.72547	0.7
65.03941	1.6
66.04721	0.9
67.05515	2.4
69.03452	2.1
69.07088	1.1
70.06587	0.8
71.04982	0.8
71.15350	0.9
71.15674	0.8
75.04489	2.2
77.03938	0.9
79.05500	8.1
81.03432	1.6
81.07066	4.1
81.20222	0.7
83.08620	1.2
85.02913	3.1
85.06556	1.1
89.03909	1.6
89.06037	1.0
91.05493	8.0
93.03419	4.7
93.07055	6.0
95.04983	2.8
95.08604	2.6
96.88646	0.8
97.02885	0.9
97.06557	1.7
103.03986	0.9
103.05471	9.3
105.07044	19.0
106.04192	8.2
107.04984	3.9
107.08597	2.0
109.02891	1.5
109.06556	2.0
109.10167	2.7
115.05512	1.0
118.04173	16.8
119.04948	2.4
119.08569	1.4
120.05769	1.8
121.06518	12.2
121.10168	1.8
122.07302	1.4
123.08107	1.8
123.11726	1.5
124.05239	8.9
125.05994	4.5
127.03931	1.6
131.04948	3.1
131.08595	0.9
132.05772	1.1
133.06509	23.6
134.03671	1.6
134.07289	2.1
135.04466	2.1
135.08047	4.7
135.11789	1.3
137.05988	5.0
139.07497	1.2
147.11745	1.0
148.05249	1.6
149.05989	19.3
150.06773	9.9
151.07507	3.7
153.09123	5.9
157.10178	1.2
161.04871	0.9
161.05983	5.3
162.01286	1.1
162.97058	1.1
163.03934	2.2
163.07512	1.4
165.09122	14.8
166.06232	1.1
167.07065	4.4
177.05511	15.0
178.06265	1.0
179.01625	0.9
179.07056	0.8
181.08635	9.0
191.07076	4.5
192.07889	1.8
193.08624	100.0
209.08109	74.3
223.04260	8.4
253.95128	0.8
259.99844	1.9
286.09079	1.0
312.09277	1.5
353.13910	1.1
385.16602	1.2
386.16763	1.9
404.17853	1.2
524.21051	2.4
535.54956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58080	0.5
53.03943	2.3
55.01867	1.2
55.05272	0.8
55.05518	12.5
57.03441	5.7
57.07079	30.7
59.05003	0.6
63.12934	0.5
65.03951	1.1
67.05510	21.1
69.03434	2.1
69.07073	8.8
71.01351	0.5
71.04992	2.5
71.08636	21.0
71.35654	0.5
72.92635	0.5
74.99229	0.5
77.03904	0.5
79.05497	11.9
81.03425	34.1
81.07063	25.7
83.04977	5.2
83.08626	18.8
85.02525	0.5
85.02911	14.2
85.06539	1.2
85.10188	11.3
85.10699	0.4
91.05489	15.0
93.07053	8.6
94.65796	0.5
95.04977	13.2
95.08611	22.9
97.02883	2.2
97.03448	0.5
97.06530	1.9
97.10161	4.6
99.11724	0.9
105.04531	0.8
105.07047	10.6
107.04944	2.7
107.08607	3.1
109.06522	2.0
109.10175	9.5
111.04445	1.0
111.08101	6.1
111.11720	0.8
113.06001	1.8
115.05443	1.2
117.07048	1.0
119.08587	9.6
121.10153	4.7
123.08064	1.1
123.11718	4.3
125.09624	0.7
125.13220	0.6
127.78072	0.5
129.07004	4.7
131.08569	4.8
133.06506	1.0
133.10124	4.1
137.09615	0.8
137.13223	1.2
142.07761	1.6
145.10103	0.9
147.08066	1.5
147.11716	6.7
149.09583	3.5
157.10155	6.8
165.12788	1.5
175.11209	8.9
193.12262	29.6
211.13304	29.8
221.22652	0.6
239.23750	4.3
249.14981	0.9
267.15918	11.1
267.18607	0.9
285.17169	0.9
313.27393	11.5
416.70874	0.7
485.62686	0.6
505.39127	5.5
523.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	22.9
57.03445	6.0
57.07090	6.4
67.05516	28.7
69.03433	4.9
69.07076	100.0
70.10889	12.5
71.04977	4.2
71.08618	2.5
71.43249	3.5
72.24900	2.4
79.05503	12.1
81.03431	6.0
81.07068	71.9
83.04995	6.4
83.08616	17.8
84.82912	2.8
85.02898	5.6
85.06546	11.5
91.05487	13.4
93.07054	27.1
95.04993	8.6
95.08620	52.0
97.02917	2.9
97.06535	11.9
97.10191	5.3
98.91794	2.4
99.08118	9.6
103.09650	2.5
105.07051	18.2
107.08599	25.1
109.06512	6.8
109.10172	39.7
111.08118	4.4
111.11739	20.3
119.08605	16.4
121.06574	3.9
121.10166	28.7
123.11712	27.1
125.09636	4.0
127.11234	7.9
133.10162	11.1
135.11682	13.2
137.06009	4.0
137.09625	6.0
137.13266	10.1
137.92447	2.6
139.11188	20.4
145.10130	6.5
147.11705	9.7
149.09627	3.7
149.13274	13.5
151.11186	2.9
151.14859	8.8
157.10182	3.4
157.12259	7.3
159.11775	9.7
161.13278	7.7
163.14839	6.5
165.12778	4.3
167.14249	3.1
173.13313	3.5
175.14816	4.4
176.92406	2.6
179.14369	5.5
189.16441	4.9
193.05101	3.2
209.04593	2.6
211.13396	3.1
213.05502	2.9
215.17909	2.7
219.17401	2.9
237.18468	3.6
277.25351	6.8
289.25336	18.1
295.26422	32.9
307.26343	85.3
325.27344	26.4
341.13971	4.6
342.62155	2.7
343.28622	4.3
361.09476	5.6
385.16623	9.1
403.17780	8.9
523.15698	3.1
523.32318	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03935	2.1
55.01877	2.1
55.05517	12.8
55.75183	0.8
57.03441	7.1
57.07083	36.5
59.04998	1.1
60.23684	0.8
62.79262	0.8
65.03944	1.4
67.05183	1.4
67.05515	25.0
67.96899	0.8
69.03429	2.5
69.07082	11.0
69.94912	3.8
71.04986	3.6
71.08640	25.9
79.05503	14.8
81.03426	35.2
81.07065	32.9
83.04992	6.7
83.08631	21.0
85.02911	14.8
85.06555	1.3
85.10196	15.5
91.05489	19.0
93.07047	9.7
95.04990	13.7
95.08618	27.3
97.02900	1.8
97.06538	2.2
97.10182	5.3
99.04494	0.9
99.11704	0.8
105.04591	1.0
105.07045	12.1
106.16918	0.8
107.04979	3.7
107.08629	4.7
109.06519	2.6
109.10173	14.4
111.04480	1.3
111.08083	4.4
111.11746	1.3
117.07039	0.9
119.08588	10.6
121.06538	0.9
121.10161	7.8
121.33360	0.8
123.08080	1.7
123.11731	3.9
125.13190	1.2
129.07018	6.5
131.08597	6.9
133.06511	1.4
133.10138	6.6
137.13246	1.1
142.07796	1.5
147.08066	1.1
147.11725	8.0
149.09625	5.0
157.10150	7.8
163.11166	1.1
165.12701	1.7
172.95334	1.0
175.11224	9.6
193.12273	31.9
193.68883	1.0
211.13318	33.8
239.23811	5.3
249.15007	1.0
267.15955	11.5
313.27377	14.8
385.16245	1.7
403.17575	1.3
505.39133	9.4
523.40021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01863	3.1
55.05510	16.6
57.03444	17.2
57.07077	49.1
67.05508	31.3
69.07067	10.9
69.87377	6.2
69.87782	2.9
71.08634	32.5
79.05508	16.2
81.03423	100.0
81.07062	33.8
83.04965	5.9
83.08620	29.5
85.02901	2.9
85.10189	21.3
89.06012	2.9
91.05489	19.2
93.07053	14.5
95.04467	2.4
95.04976	27.0
95.08617	32.6
97.02909	3.0
97.10156	7.1
105.07021	14.9
107.04947	7.6
107.08582	8.3
109.06532	3.9
109.10164	19.3
111.08064	6.5
112.73581	2.1
119.08601	12.4
121.06530	2.2
121.10118	7.7
123.11681	3.7
129.06989	8.3
131.08554	8.4
133.06490	2.7
133.10112	5.8
135.20647	1.8
137.09579	2.3
139.20085	2.1
142.07761	2.7
147.08153	3.5
147.11665	5.0
148.06879	1.8
149.09586	6.4
157.10162	10.0
175.11200	11.1
184.07326	3.1
188.47429	2.3
193.12282	46.2
211.13248	11.6
229.14328	2.9
239.23683	6.7
249.14796	4.4
267.15924	93.9
277.21780	2.9
307.81821	2.3
313.27368	96.2
379.79480	2.0
392.62619	2.0
505.39041	66.3
523.39789	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07740	4.4
55.05510	15.9
55.11660	4.6
57.07069	6.8
61.22526	5.5
67.05514	30.2
69.03436	6.0
69.07066	32.3
69.94686	21.7
71.04980	5.4
78.08054	4.4
79.05503	27.6
81.06600	5.9
81.07064	100.0
83.08614	16.0
83.66193	4.9
85.02908	14.5
85.06544	10.7
91.05463	16.3
93.07045	52.7
95.08064	6.9
95.08618	83.1
97.10194	7.6
98.40096	5.3
99.08082	12.1
105.07037	31.4
107.08607	47.6
109.10162	48.4
111.08144	4.8
111.11718	5.6
119.08613	25.0
121.10145	33.8
123.08070	4.7
123.11686	24.2
125.09649	12.2
131.08575	11.6
133.10100	31.6
135.11694	31.1
137.09546	8.4
137.13266	6.5
139.11180	4.9
145.10117	12.8
147.11729	24.1
149.13280	29.1
159.11746	12.3
161.13239	20.8
163.14810	13.7
173.13239	9.9
175.14812	17.9
177.16431	6.2
183.89989	4.7
187.14764	5.0
189.16389	13.2
195.17409	4.8
215.17940	10.8
271.24234	27.7
277.25287	18.6
289.25284	70.6
295.26251	5.1
303.05017	6.8
307.26331	28.8
322.53183	4.4
325.27200	9.3
328.05865	6.6
331.04596	34.9
346.06796	13.2
361.09256	68.3
426.87384	5.2
429.02914	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44885	4.2
55.05504	15.0
57.07064	7.7
59.05001	4.1
60.06937	3.8
60.74709	4.0
67.05509	32.7
69.03400	4.0
69.07079	33.4
71.02858	7.6
79.05479	17.6
81.07063	100.0
83.08633	9.5
85.02896	16.5
85.06565	21.5
85.81639	3.9
90.24681	4.0
91.05475	11.8
93.07044	42.0
95.04955	8.2
95.08613	91.6
97.06555	7.0
97.10155	9.8
99.08095	19.0
105.07030	27.0
107.08599	39.7
109.10165	52.0
111.11680	5.4
119.08554	26.1
121.10146	47.5
123.11736	21.0
125.09651	6.3
131.08559	6.2
133.10127	16.4
135.11679	22.1
137.06015	30.1
137.09587	6.3
137.13200	7.5
139.11212	8.2
145.10144	11.5
147.11707	19.9
149.13258	21.0
159.11661	14.6
161.13219	11.4
163.14766	12.3
173.13275	4.4
177.16434	25.7
189.16356	7.6
195.17438	17.7
213.18497	50.5
259.24524	5.0
271.24173	9.2
277.25223	12.3
289.25247	35.7
295.26361	20.8
307.26273	33.7
311.95120	4.1
325.27365	17.3
343.28464	7.3
412.06873	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1452
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03943	1.0
55.01882	1.2
55.05503	2.1
57.07060	1.2
57.44629	0.8
61.02907	0.7
63.69794	0.7
65.03947	0.8
67.05515	6.4
69.03432	4.6
69.07067	5.3
69.35819	0.7
71.04998	1.2
71.52702	1.1
79.05499	5.0
81.03397	2.5
81.07058	12.8
83.08614	2.2
85.02915	7.8
85.06545	3.3
91.05489	5.9
91.69619	0.8
93.07050	9.4
94.04192	2.2
95.04965	1.8
95.08044	1.3
95.08607	11.4
97.02882	2.1
97.06535	2.4
97.10157	1.4
99.08103	1.3
103.05457	2.7
105.07040	7.7
106.37276	0.7
107.04935	3.1
107.08591	5.6
109.02907	1.2
109.06519	1.7
109.10163	6.9
111.04443	0.9
111.08118	1.1
115.05461	1.0
115.36187	0.9
117.07011	1.5
119.04916	1.0
119.08568	5.0
119.72886	0.8
121.06503	3.1
121.10128	4.9
122.03645	5.9
123.08089	1.6
123.11692	3.2
125.09668	0.9
127.03927	1.9
128.06247	1.0
129.06985	1.6
131.04950	4.6
131.08592	1.6
133.06494	1.8
133.10147	4.5
135.08049	0.9
135.11725	3.7
137.05984	53.7
137.09674	1.1
137.13257	0.9
139.11229	1.0
143.08588	0.8
145.06468	1.1
145.10126	1.6
147.04419	1.3
147.11700	3.0
149.05972	1.9
149.13275	2.8
151.03905	1.4
151.07549	3.7
153.05461	1.4
153.50171	0.7
157.06534	1.6
159.11722	1.8
161.05960	4.1
161.13287	2.4
163.03899	0.9
163.07538	6.1
163.14825	0.8
165.07010	1.4
165.09097	1.3
165.12811	1.2
167.07065	6.2
173.13278	1.5
174.06696	0.8
175.07550	2.1
175.14880	0.9
177.05464	2.4
177.09177	1.2
177.16397	1.4
179.07036	1.1
179.08507	1.0
181.08607	8.2
182.07224	0.9
187.07591	2.0
189.09163	4.3
191.06975	1.1
192.04111	1.8
193.06516	1.0
195.08080	1.0
197.00882	1.0
197.09726	1.4
201.09077	2.0
203.10635	0.9
211.07603	1.3
213.05507	1.3
213.18428	1.1
215.17911	0.9
219.17596	0.8
225.09126	2.0
229.05022	1.4
241.04967	1.4
253.08473	0.9
256.07358	0.8
257.04510	1.3
257.11703	1.8
271.24222	1.3
275.05591	0.9
283.09589	2.2
285.03922	1.7
285.11441	3.7
288.02673	1.6
289.25250	4.9
297.11258	1.2
299.12698	0.8
300.06335	1.5
303.04861	3.9
307.26163	4.5
313.03513	3.9
315.12454	2.4
317.14072	4.7
325.27463	2.3
328.05780	13.8
331.04471	22.3
331.08398	1.2
343.15408	1.0
346.06870	12.1
351.15884	3.5
361.09186	100.0
369.16943	1.8
385.16403	1.3
505.13705	0.8
523.12805	1.9
523.22180	1.1
523.30719	6.7
544.05115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01866	0.9
57.03439	1.5
61.02913	0.6
61.45385	0.2
64.14655	0.2
68.99795	1.2
69.03433	2.2
69.67143	0.6
69.67546	0.4
70.06577	0.4
71.04997	0.6
73.02931	1.5
74.19043	0.2
81.02990	0.3
81.03424	4.7
85.02911	5.5
87.00835	3.4
87.04461	0.8
87.49387	0.2
87.79258	0.2
88.00134	0.2
95.04970	0.2
97.02908	1.8
98.21484	0.4
99.04447	1.1
100.07616	1.1
101.02377	1.0
103.03947	0.9
105.01840	1.1
109.02885	5.7
113.02357	1.5
121.02903	0.2
127.03925	100.0
128.04294	0.2
129.01869	0.5
131.03435	0.7
137.06020	0.2
141.01823	1.1
145.04968	0.9
147.04390	0.2
149.04469	0.7
159.02896	0.5
163.03922	0.8
164.04234	0.6
171.02931	0.7
181.05003	0.3
182.05354	0.4
189.04021	0.5
195.02951	0.4
199.02400	3.4
213.03902	1.3
217.03432	3.4
231.05040	0.4
235.04593	0.5
245.03084	0.4
259.04489	1.2
277.05414	0.3
289.05505	1.3
289.08350	0.2
297.06247	0.4
315.13657	0.3
325.05594	0.4
333.11099	0.2
343.06671	1.4
346.50937	0.2
348.44263	0.2
361.07675	2.6
361.19653	0.3
379.08841	0.6
523.15039	0.3
523.28888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05046	0.6
57.03424	0.2
57.07069	0.3
58.06625	0.4
59.07396	0.1
60.08168	6.3
65.52834	0.1
67.05499	0.3
69.07081	0.6
69.78915	0.5
70.06567	0.1
71.07380	2.7
71.08628	0.2
79.05497	0.2
79.12182	0.1
79.19607	0.1
81.07046	0.3
83.08621	0.4
85.10174	0.1
86.09712	29.9
89.06036	0.1
91.05520	0.1
93.07061	0.2
95.08612	0.3
97.10170	0.2
98.98466	3.0
104.10752	2.5
109.10168	0.2
114.94079	0.1
119.08640	0.2
121.10167	0.2
125.00014	21.5
143.01047	0.2
159.01932	0.1
184.07353	100.0
185.07643	0.1
204.75432	0.1
258.10992	0.2
504.34488	1.0
522.35577	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	522.356
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.71581	0.3
55.05515	2.1
56.05035	1.7
57.03430	0.5
57.07078	1.9
58.06601	1.3
59.07390	0.4
59.73316	0.3
60.02793	0.3
60.08168	16.6
67.05513	1.9
69.07076	3.0
69.48017	2.3
71.07375	6.6
71.08630	1.4
71.93355	0.4
73.02913	0.3
79.05514	0.8
81.07059	1.5
83.08627	1.8
85.10184	1.3
86.09712	50.1
89.06035	3.8
93.07047	0.6
95.05516	0.3
95.08610	1.3
97.10152	0.9
98.98469	4.6
104.10751	100.0
109.10182	0.9
121.10179	0.5
125.00014	28.7
133.08627	1.0
135.11732	0.6
143.01117	0.4
163.01566	0.7
177.11185	0.5
183.76385	0.3
184.07353	98.1
258.10999	0.8
308.10977	0.3
339.28934	1.2
445.27350	0.4
504.34491	10.3
522.35565	40.1
523.35535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87177	0.6
55.01872	1.0
55.05507	1.2
57.03443	5.0
59.04998	1.0
65.19455	0.5
66.04694	0.6
67.05508	2.6
68.26125	0.8
69.03436	17.3
69.07071	2.9
71.04992	1.3
73.02916	1.2
76.13664	0.6
79.05493	2.6
81.03435	1.0
81.07065	8.7
82.07375	1.0
83.08654	0.9
85.02913	12.7
87.04478	12.0
91.05487	3.3
93.07066	5.2
95.05002	1.3
95.08055	1.1
95.08612	12.0
97.02898	16.8
97.06548	2.0
99.04455	0.9
99.08101	4.6
105.07037	7.9
107.08599	8.3
109.02878	1.5
109.10164	2.2
111.08085	0.8
113.09689	1.2
115.03941	21.6
119.08592	39.5
120.08106	0.9
120.08852	0.7
121.10159	2.3
123.08118	1.0
123.11707	2.9
127.03928	4.1
131.08572	1.2
133.04977	19.6
133.06009	1.1
133.10144	60.1
135.11702	13.6
137.09605	1.4
145.04985	3.1
145.10101	1.0
147.11688	3.6
147.12657	0.6
150.07658	3.3
150.08719	0.7
173.13315	0.9
175.14838	100.0
176.15210	0.8
177.05580	0.6
193.15901	18.8
211.16959	56.5
214.44405	0.6
229.18103	0.7
229.31079	0.7
236.84399	0.6
241.07127	1.4
259.08151	1.7
277.09186	1.1
295.10181	2.2
329.53625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66428	1.9
54.60648	1.9
55.01859	1.8
55.05514	11.0
57.03439	2.4
57.07064	1.9
62.17569	1.9
62.38815	2.2
65.87010	1.9
67.05499	12.0
69.03416	7.5
69.07079	12.1
70.53146	2.0
70.53485	6.3
71.05008	17.9
79.05507	23.9
81.03417	3.5
81.07066	98.7
83.08619	7.3
85.02925	18.1
85.06506	3.2
87.00809	8.6
91.05472	13.0
93.07052	39.7
95.05003	2.4
95.08615	30.2
97.02910	5.1
97.06508	2.8
97.10150	3.6
99.08062	2.9
105.01881	18.7
105.07037	49.9
107.08601	49.4
109.02882	4.5
109.06512	2.6
109.10172	37.4
109.10895	1.6
111.11674	2.2
113.09681	2.4
114.89951	1.9
117.07021	4.6
118.58418	2.0
119.08591	85.6
121.10155	8.7
123.11737	22.8
125.09631	3.0
127.03908	8.5
127.11198	28.4
131.08583	4.1
133.09146	2.4
133.10141	43.0
135.11703	100.0
137.05977	4.7
137.13271	4.1
139.11194	2.6
143.10689	15.2
145.04984	4.9
145.10085	2.8
147.04408	2.4
147.11716	29.4
149.13263	7.9
153.12764	8.2
159.11703	2.5
159.64177	2.3
161.13245	18.9
163.14839	5.9
175.14743	4.0
177.16411	3.5
203.17969	75.4
221.19022	74.6
221.20682	1.4
231.05058	3.7
249.06099	5.1
284.09705	2.1
288.11746	2.1
326.92984	2.5
340.69769	2.1
457.72852	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92061	0.1
55.05509	0.2
56.05042	0.5
57.03435	0.2
58.06629	0.5
59.07411	0.2
60.03986	0.1
60.08170	5.9
60.30910	0.1
64.52872	0.1
67.05517	0.5
67.58747	0.1
69.07081	0.2
69.86777	0.5
70.06599	0.1
71.07381	2.6
79.05517	0.1
80.77649	0.1
81.07074	0.5
86.09715	29.1
91.05476	0.1
93.07036	0.2
95.08624	0.3
98.98473	2.8
104.10754	3.0
104.11427	0.2
123.11738	0.1
125.00018	21.1
143.24371	0.1
166.06212	0.1
184.07358	100.0
185.07700	0.2
193.56950	0.1
258.11096	0.2
502.32916	1.3
520.34070	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	520.3403
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05522	0.8
56.05031	1.5
57.03437	0.5
58.06580	1.1
58.87823	0.2
59.07362	0.2
60.08167	16.5
67.05512	3.1
69.07066	1.1
69.81957	0.7
70.06592	0.2
71.07380	7.1
79.05492	0.7
81.07063	3.3
83.04968	0.2
83.08623	0.6
86.09711	48.8
91.05487	0.6
93.07056	1.0
95.08613	2.2
97.06515	0.3
98.98469	3.9
104.10750	90.1
105.07033	0.5
107.08595	0.6
109.10181	0.9
119.08641	0.3
121.10172	0.5
123.11688	0.2
125.00014	28.5
133.10136	0.3
134.27684	0.2
163.01581	0.7
175.80237	0.2
184.07350	100.0
198.36432	0.2
258.11069	0.7
337.27386	0.7
359.16306	0.2
502.32919	7.6
520.34021	31.3
521.34729	0.2
542.44977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01875	3.5
55.05511	15.2
57.03441	2.9
57.07079	37.6
57.37810	0.8
59.05013	2.0
67.05508	21.6
69.07072	11.4
69.79628	1.6
69.80031	4.2
71.04988	2.3
71.08633	23.4
79.05070	1.6
79.05500	18.6
81.03432	7.0
81.07060	30.3
83.01362	2.5
83.04990	6.6
83.08627	14.4
85.02937	1.5
85.06575	2.1
85.10188	14.2
87.04453	2.2
89.06030	2.7
89.34811	0.9
91.05491	10.8
93.07047	26.6
95.04956	6.8
95.08614	38.6
95.52883	0.8
96.37165	0.9
97.02907	2.9
97.06564	2.9
97.10181	5.3
99.04478	3.1
101.04135	0.9
103.03964	4.2
105.07011	8.2
107.04967	8.5
107.08594	20.1
109.06545	4.0
109.10165	10.9
111.04449	2.2
111.08113	1.5
111.11745	1.5
116.06262	1.1
117.07002	7.6
119.08580	8.9
121.06489	4.6
121.10149	10.0
123.08088	4.8
123.11721	4.7
125.06055	1.8
125.09636	1.0
129.07083	1.2
130.07785	1.0
131.08563	2.3
133.08650	2.1
133.10143	2.8
135.08078	2.0
135.11702	24.0
137.09593	0.9
137.13290	1.5
143.08632	1.5
145.06479	1.2
145.10143	19.7
145.11288	1.0
147.08066	2.2
149.09641	1.6
151.07571	1.1
153.12784	1.8
157.10071	1.3
163.11186	37.5
165.16473	1.1
173.09586	1.7
177.11322	1.3
181.12239	7.7
191.10785	2.9
208.12265	1.0
209.11771	5.5
221.15457	2.9
222.15823	1.4
225.27888	0.9
227.12787	56.4
239.23679	7.8
248.14183	1.2
303.19617	2.6
304.19952	2.0
313.27475	1.7
339.23502	1.0
403.48318	0.9
503.37021	2.6
521.38446	100.0
522.38892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48276	0.5
53.03952	0.7
55.05276	0.6
55.05518	9.9
57.03450	6.1
57.07066	2.1
57.57322	0.4
60.04504	0.6
60.08160	1.8
61.08481	0.4
65.03941	1.0
67.05511	23.2
69.07076	14.2
69.70328	0.4
71.04989	1.0
71.07368	0.6
71.08624	1.0
71.52489	0.5
79.05502	7.2
81.07063	26.2
83.04988	1.1
83.08624	7.2
85.06541	0.8
85.10195	0.6
86.09707	5.7
87.10040	1.8
88.03998	5.1
91.05482	4.2
93.07047	6.6
95.04987	0.5
95.08616	18.9
95.41455	0.4
97.06529	1.4
97.10181	3.5
98.98470	4.4
99.08132	0.5
104.10755	8.9
105.07047	3.7
105.11091	2.6
106.05019	1.6
107.08610	3.9
109.10157	6.9
111.08096	1.0
111.11734	0.8
118.14106	0.4
119.08620	3.3
121.10165	2.9
123.08099	0.8
123.11725	2.1
124.89474	0.5
125.00019	3.0
131.08592	0.5
133.10181	2.8
135.11702	1.6
137.09630	1.0
137.13295	1.2
145.10182	0.4
147.11710	1.2
149.02382	0.5
149.13327	0.9
155.01079	1.1
161.13203	0.9
163.14899	0.6
165.12755	0.4
165.16559	0.5
175.14798	0.6
184.07372	7.4
185.07726	2.9
186.07776	2.0
245.22777	0.8
260.05231	0.8
263.23749	1.5
319.35330	0.4
337.27393	100.0
338.27731	0.8
350.27045	2.2
411.70602	0.4
504.33676	0.7
522.16748	0.4
522.34351	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	520.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.01883	0.8
57.03420	1.1
59.05006	5.7
61.50846	0.6
63.03477	0.7
64.67292	0.6
69.03425	4.2
69.07075	1.0
69.45645	5.0
70.06594	2.0
71.54207	0.6
71.75008	0.7
72.08168	1.0
73.02908	2.3
73.06540	0.7
81.03424	1.4
81.07047	1.2
82.06563	1.1
83.05000	2.7
85.02914	7.6
85.72447	0.7
86.06078	1.0
86.09730	1.6
87.04475	5.5
89.06039	100.0
91.05470	1.3
93.07044	0.9
95.04984	1.1
97.02882	4.7
97.06544	0.7
98.06033	0.6
99.04532	1.1
100.07626	2.0
103.04040	0.8
103.07590	1.3
107.07090	0.9
107.08620	1.0
109.02869	2.0
109.06528	1.0
115.03925	1.7
116.07094	0.9
117.03401	1.2
118.08715	1.0
119.04950	2.0
121.10163	1.0
122.10565	0.8
123.08092	1.1
125.06011	2.2
127.03920	7.8
128.04236	1.3
128.07121	1.3
131.04968	1.0
131.07100	1.4
133.05025	0.8
133.08607	42.6
136.07579	0.8
145.02887	3.9
145.04973	0.9
146.08199	3.7
147.04411	7.1
147.10149	2.1
148.07635	1.3
149.09631	1.2
150.10056	0.9
151.07603	1.9
151.09651	1.0
163.03960	0.9
163.11214	1.1
165.05522	0.8
167.10757	0.8
177.05504	7.1
177.11224	15.3
177.12683	1.2
178.08684	1.5
179.07100	0.8
182.08363	0.8
191.12856	1.3
195.12352	3.1
207.13855	1.6
208.14200	2.1
209.02242	0.7
210.12129	0.8
218.98299	0.7
221.13899	1.1
225.14984	2.7
226.15263	2.4
235.15282	0.9
239.14951	4.0
248.31267	0.8
283.17526	58.0
285.10959	0.9
341.21725	62.9
520.18408	3.7
520.30884	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01891	2.8
55.05510	11.2
56.28260	1.2
57.03421	2.1
57.07074	2.6
57.94187	1.1
59.04998	4.4
61.02922	1.7
62.14381	1.2
62.65967	1.1
65.03949	1.5
67.05505	10.3
69.03441	9.5
69.07077	8.1
71.04993	23.0
71.37430	1.8
71.37765	1.3
73.02929	1.9
73.06564	2.9
79.05495	15.8
80.42711	1.2
81.03424	6.4
81.07065	48.8
83.04988	3.6
83.08608	4.6
85.02914	18.9
85.06556	6.1
87.00838	9.9
91.05482	18.8
93.07049	26.1
95.04992	1.5
95.08613	19.1
97.02897	10.1
97.06525	8.7
97.10177	4.2
99.04456	4.3
99.08099	16.8
105.01864	11.0
105.07040	63.2
106.72318	1.1
107.08617	24.0
109.02896	5.4
109.06526	4.6
109.10162	17.7
111.04480	1.6
111.08090	2.1
112.83635	1.2
115.05464	1.6
117.07014	3.7
119.08585	22.2
121.10147	17.1
123.08070	2.2
123.11716	6.2
125.09639	43.9
127.03931	27.8
127.07562	10.9
127.11208	7.8
128.04272	6.1
129.09085	1.4
130.07814	1.2
131.08580	13.0
132.09383	1.3
133.10143	91.0
135.11711	8.9
137.05989	2.6
137.09618	3.8
137.13315	1.5
139.11174	3.1
141.01810	1.3
141.09116	1.2
143.10683	100.0
144.82056	1.2
145.02850	1.3
145.04967	4.0
145.10127	17.0
147.04443	1.5
147.10524	1.7
147.11690	31.3
149.13264	11.6
151.11174	5.6
155.10677	3.0
157.10121	2.4
159.02913	2.6
159.11737	15.7
161.13278	11.4
163.11215	3.2
165.12781	1.9
167.14330	10.7
169.12241	4.3
173.13219	2.3
175.14746	2.0
177.05446	2.8
177.12804	1.5
191.17908	3.1
201.16399	18.6
203.17938	1.8
219.17456	72.2
231.05023	2.4
237.18523	16.2
249.06044	3.2
327.19528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23336	1.8
53.03937	6.7
55.01861	6.4
55.05502	7.0
57.03428	4.4
57.07052	3.6
59.04990	9.0
59.73191	1.8
61.02920	3.5
65.03931	2.7
65.11131	1.6
67.05511	22.3
69.03431	26.0
69.07076	25.6
69.34169	15.2
71.05000	22.1
73.02908	5.5
76.02233	2.4
79.05482	17.3
81.03422	17.8
81.07060	29.3
83.04968	2.8
83.08595	2.5
84.08158	2.5
85.02910	51.4
85.06546	63.6
86.99063	1.8
87.00834	30.6
89.06023	3.1
91.05486	21.8
93.07048	100.0
95.04960	13.1
95.08619	31.7
97.02901	33.1
97.06519	3.5
97.10137	2.7
99.04462	9.7
105.01869	47.1
105.07031	31.0
107.08606	50.0
109.02870	16.8
109.06526	10.4
109.10155	25.4
110.03220	1.8
113.09671	1.9
117.06998	4.1
119.06046	2.2
119.08580	31.0
121.10136	29.0
123.08075	2.5
123.11697	12.6
127.03925	67.2
128.04240	7.3
131.08595	8.9
133.10135	18.4
135.08113	2.0
135.11703	32.9
137.09625	83.7
137.13150	2.8
138.62616	1.7
139.11124	2.8
143.08534	2.4
145.04979	24.3
145.10123	22.9
147.04414	4.3
147.11691	17.9
149.09645	2.5
149.13272	35.3
151.11168	14.2
153.01833	2.0
155.10661	4.2
157.10019	2.5
159.02881	6.0
159.11726	14.7
161.09624	2.4
161.13251	8.2
163.11230	4.5
173.13213	11.9
175.14839	3.2
179.04845	2.8
191.14330	5.5
195.13850	2.4
201.12614	2.5
201.16389	27.1
203.17963	12.8
209.15407	15.4
213.03923	2.9
219.17429	8.4
227.16435	11.7
231.05000	20.3
249.06059	17.1
253.29231	1.9
270.15314	3.3
271.06021	6.1
272.06381	9.4
288.16498	2.1
304.23389	3.2
321.24600	2.1
340.25650	3.4
373.17969	12.7
385.14786	5.6
520.23010	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97493	0.5
53.03947	1.2
54.93963	0.6
55.01862	0.5
55.05518	7.4
56.15187	0.5
57.03445	6.5
57.07081	1.2
59.56199	0.5
59.86393	0.5
60.04519	0.7
65.03923	1.5
67.05510	30.0
69.07073	6.4
69.93783	1.0
69.94131	2.4
71.05005	1.5
78.47314	0.5
79.05500	13.3
81.07064	24.8
83.04984	1.1
83.08636	2.7
88.03996	5.4
90.37233	0.5
91.05479	6.8
93.07047	16.1
95.04970	1.7
95.08614	21.7
96.08907	0.5
97.06546	0.8
97.10162	1.1
98.98479	4.2
102.44929	0.5
104.56281	0.6
105.07034	4.2
106.05029	1.3
107.08598	7.6
109.06526	0.8
109.10172	7.1
111.08069	0.8
117.06979	1.0
119.08599	2.9
121.10139	5.3
123.08083	0.6
123.11711	2.0
131.08585	2.7
133.10123	2.1
135.11678	3.1
137.59634	0.5
145.10095	1.9
147.11650	1.4
149.13261	1.1
150.84656	0.6
159.11693	1.0
161.13254	1.4
163.14784	0.7
173.02080	1.2
184.07364	1.8
185.07712	0.7
205.08148	0.6
261.22150	2.0
335.25821	100.0
336.26181	0.7
348.25357	2.3
506.98239	0.7
525.94513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01873	5.0
55.05507	5.2
57.03448	12.1
59.04997	4.3
61.02929	6.0
67.05508	6.1
69.03432	40.4
69.07078	2.2
70.06602	4.6
70.63647	3.2
71.01376	2.7
71.04998	2.9
72.08147	2.2
73.02561	2.3
73.02928	23.4
73.04752	2.0
78.62716	1.6
79.05502	10.0
81.03432	10.2
81.07080	11.1
82.06570	2.9
83.04493	3.2
83.04990	56.8
83.08626	2.5
84.08152	2.1
85.02910	59.3
86.09714	3.6
87.00830	2.1
87.04475	19.9
89.06059	8.1
91.05482	7.0
93.07046	14.8
95.04984	18.7
95.08599	7.8
97.02901	40.9
97.06555	7.3
99.04463	3.2
100.07619	3.7
105.07046	13.8
107.08613	8.9
109.02885	9.8
109.06534	20.0
109.10159	2.1
111.04426	3.1
115.03936	26.0
116.07100	2.6
119.04923	3.3
119.08568	7.7
121.06541	3.2
121.10156	28.0
123.08075	26.0
123.11726	7.7
125.06003	44.0
127.03928	100.0
131.08594	3.8
133.04974	24.0
133.06487	8.0
133.08588	3.7
133.10120	2.6
135.08090	3.4
137.05986	3.0
143.60838	1.5
145.02896	4.1
145.04974	9.6
145.10136	7.1
147.04555	1.6
147.08035	4.4
147.11696	6.9
149.06013	3.3
149.09634	39.7
150.09978	10.0
151.07553	52.5
151.10187	2.1
153.05455	2.1
159.11703	2.2
161.09605	2.4
161.13264	2.4
163.03952	3.1
163.06049	3.0
163.11191	19.7
165.05527	2.3
165.12784	17.4
167.10693	19.3
171.11629	2.5
175.03995	2.5
176.69260	1.5
177.05479	10.6
183.13812	2.9
189.11307	1.8
189.12732	9.7
191.10661	3.0
191.12839	1.6
191.14326	9.0
192.14624	2.4
193.14960	3.2
201.11041	2.3
207.13812	62.0
209.11755	6.2
209.15390	2.3
225.14874	86.6
231.13846	2.2
251.09134	3.1
259.08054	2.4
271.05917	2.6
283.17508	3.6
293.13712	2.0
299.06110	2.8
321.17282	1.9
339.18039	3.4
341.21854	3.2
357.19080	3.4
387.20178	4.8
519.05524	3.3
519.20477	2.0
519.24915	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01869	1.1
55.05507	2.6
57.03446	4.2
59.05001	1.7
61.02904	0.5
61.57590	0.5
67.05502	1.6
69.03437	3.1
69.07063	2.8
70.06578	0.8
71.05000	24.8
71.51373	0.9
73.02918	0.8
75.04495	0.8
79.05479	3.0
81.03415	2.3
81.07059	10.1
83.04982	4.2
83.08627	1.0
85.02911	33.1
85.06532	1.1
87.00802	0.7
91.05466	3.9
93.07047	5.0
93.64304	0.5
95.04958	2.1
95.08620	10.9
97.02898	3.4
97.06533	1.1
99.04454	2.0
99.08086	1.7
103.05399	0.7
105.07040	10.7
107.08614	8.3
109.02901	3.9
109.06536	1.0
109.10155	3.2
111.04442	1.9
113.09631	1.1
117.07051	1.2
117.29750	0.6
119.08588	35.2
121.10135	3.0
123.08051	0.8
123.11696	1.6
127.03925	35.8
128.70506	0.5
129.05484	10.4
131.04883	0.8
131.08580	2.1
133.10144	40.1
135.11702	8.8
137.05991	1.6
137.09602	0.7
141.01884	0.8
145.04945	1.4
145.10118	1.3
147.06520	3.8
147.11639	3.1
149.09641	1.0
159.11719	0.9
161.06012	0.8
175.14841	100.0
176.15266	0.7
177.05504	0.9
187.07515	0.9
193.15881	8.9
207.13760	0.6
211.16963	7.4
211.24643	0.5
213.04108	0.8
213.67267	0.5
225.14873	1.9
235.16969	1.0
239.09718	0.6
303.22891	0.8
321.24231	0.8
339.24780	0.6
340.24002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01875	0.9
55.05511	0.2
55.70012	0.1
57.03425	0.6
61.02922	0.6
67.05490	0.2
68.99792	1.0
69.03086	0.3
69.03436	4.2
69.07063	0.2
70.95964	0.3
71.05012	0.8
73.02924	0.6
79.05505	0.2
80.00648	0.1
81.03423	5.3
81.07069	0.3
83.04983	0.2
85.02912	5.4
87.00828	1.4
90.31026	0.1
91.03973	0.2
91.05460	0.3
95.08625	0.3
97.02895	4.4
99.04452	1.6
101.02422	0.2
101.46644	0.2
105.01875	0.7
105.07081	0.2
107.04977	0.2
107.08584	0.3
109.02889	9.4
109.06532	0.2
111.04447	0.4
117.01836	0.3
119.08549	0.3
121.10181	0.3
123.04436	0.2
125.02382	0.3
127.03925	100.0
128.04294	0.2
129.01839	0.9
137.05885	0.2
141.01849	2.2
145.04977	2.1
147.02913	0.5
149.02370	0.2
151.03847	0.2
159.02928	1.0
177.05487	0.3
181.05096	0.2
182.95479	0.2
189.03984	0.2
193.04819	0.2
195.02954	0.4
201.03979	0.2
213.03972	1.3
219.58133	0.2
221.58878	0.2
231.04955	1.3
235.06046	0.3
271.09766	0.2
273.06049	0.5
285.06076	0.4
303.07156	0.5
324.25827	0.2
339.07089	0.5
357.08167	1.0
375.09335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15236	0.1
52.21248	0.1
53.03951	0.9
53.16951	0.1
53.63318	0.1
55.01873	0.7
55.05509	0.1
57.03447	0.5
59.04995	0.1
59.40916	0.1
61.02925	0.5
67.05486	0.2
68.99793	1.0
69.03433	3.9
71.01382	0.1
71.05001	0.6
71.52056	0.1
73.02924	0.7
81.03424	4.9
81.07062	0.2
82.16483	0.1
83.01343	0.2
83.04984	0.2
84.80688	0.1
85.02910	5.4
85.06535	0.1
87.00838	1.4
87.04459	0.1
91.03959	0.2
91.05471	0.1
95.04964	0.1
95.08610	0.1
95.94342	0.1
97.02901	4.2
99.04458	1.5
101.02394	0.1
105.01875	0.8
105.07056	0.2
107.04971	0.1
109.02885	8.5
109.06538	0.2
111.04438	0.4
113.02338	0.1
115.03955	0.2
117.01882	0.2
117.05507	0.1
119.08585	0.2
121.02915	0.2
123.04462	0.2
125.02350	0.2
127.03925	100.0
128.04269	0.3
129.01859	0.7
129.05504	0.1
131.08676	0.1
133.10092	0.1
137.05963	0.5
139.03935	0.2
141.01852	1.6
143.03558	0.1
145.04959	1.9
147.02933	0.4
147.04431	0.1
147.11775	0.1
147.90625	0.1
149.09552	0.1
151.03922	0.3
153.01846	0.1
159.02908	0.8
161.06021	0.1
163.03996	0.1
166.83754	0.1
169.04907	0.1
177.05553	0.1
179.06987	0.1
181.05043	0.2
189.03978	0.2
189.05537	0.2
193.04921	0.2
195.02931	0.3
201.03961	0.3
203.07010	0.1
207.13895	0.1
213.03960	1.3
217.05011	0.2
220.11848	0.3
225.14815	0.2
231.05040	1.4
235.05988	0.2
249.06065	0.1
271.05997	0.2
273.05957	0.3
285.06091	0.2
303.07114	0.4
311.18494	0.1
321.06189	0.2
339.07089	0.3
357.08228	0.8
357.12778	0.1
375.09229	0.6
498.86606	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	519.1501
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
50.71710	0.3
53.03944	1.0
55.01868	0.6
56.34462	0.3
57.18867	0.3
61.02929	0.4
65.03945	0.4
67.05494	0.7
69.03416	1.0
69.36148	2.2
70.30279	0.2
70.86060	0.2
71.04992	0.3
71.24857	0.3
74.60036	0.2
79.05499	2.3
81.03434	1.5
81.07064	1.7
85.02918	3.1
87.00824	1.2
91.05476	0.4
93.07036	0.3
94.04184	1.0
95.04942	1.4
95.08585	0.4
97.02888	0.8
98.21532	0.7
99.04461	0.5
103.03944	0.3
105.01864	0.9
105.07014	0.6
107.04946	0.7
107.08614	0.4
109.02896	2.2
109.06524	7.1
117.03446	0.4
119.04944	1.1
121.06507	0.6
123.04431	20.3
127.03927	2.6
129.01802	0.3
131.08565	0.3
133.06506	0.7
133.10158	0.3
135.04430	0.7
137.05983	100.0
138.06363	0.3
145.02904	0.4
145.04985	1.1
147.02940	0.4
147.03127	0.4
147.04402	3.8
149.05965	1.4
159.02879	1.0
161.05983	11.8
162.06760	0.8
163.03941	1.3
165.05484	1.6
165.06839	0.5
175.03938	0.3
175.07481	0.4
177.05501	1.8
189.05531	0.7
203.07124	0.3
211.07419	0.3
231.06764	0.5
243.10205	1.3
253.08575	0.4
269.08026	0.7
271.09665	36.0
283.09671	0.4
295.09671	1.2
307.09622	0.5
313.10590	1.3
333.11417	0.4
335.07813	0.5
337.10791	0.9
361.10638	0.6
379.11755	1.3
483.12463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
56.05032	1.5
57.03436	0.4
58.06622	0.9
59.07388	0.3
60.08171	17.4
65.03949	0.3
67.05510	2.1
69.07069	1.0
70.06621	0.3
70.76876	0.6
71.07381	7.0
79.05502	1.8
81.07057	2.2
83.08625	0.3
86.09714	50.2
91.05495	1.2
93.07047	1.5
95.08604	1.5
98.98479	3.8
104.10754	100.0
105.07047	0.4
107.08633	0.5
119.08598	0.4
121.10169	0.5
125.00016	30.3
131.08606	0.4
143.01114	0.3
163.01569	0.8
184.07359	97.5
196.56473	0.3
237.46153	0.2
243.87186	0.3
254.20012	0.3
258.11090	0.9
311.97726	0.3
335.25772	0.7
500.31406	9.2
518.32489	33.3
519.32965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1145
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03960	2.0
53.98458	0.2
55.01886	2.2
55.05508	0.9
57.03448	1.6
59.04998	0.7
61.02929	1.3
64.70702	0.2
65.03931	0.3
65.14004	0.2
67.05513	1.5
68.99799	1.6
69.03439	9.1
69.07081	4.6
69.42616	0.6
69.43021	1.3
70.01691	0.2
70.06580	0.4
71.04655	0.4
71.05006	5.1
71.06841	0.3
73.02925	1.2
79.05505	1.6
81.03432	8.6
81.07070	3.1
82.06586	0.7
83.01353	0.3
83.04998	1.3
83.08630	0.5
85.02921	15.4
85.06542	0.7
86.56454	0.2
87.00845	6.9
87.04497	2.3
89.06039	0.5
91.03980	0.7
91.05479	2.2
93.07063	3.7
95.04986	3.0
95.08616	2.3
97.02914	5.8
97.06540	2.6
97.10183	0.6
99.04473	3.6
99.08106	0.8
100.07617	0.9
101.02393	0.3
103.03897	0.4
103.05441	0.4
105.01875	3.2
105.07043	2.9
107.08605	3.0
109.02898	8.3
109.06526	1.1
109.10179	2.5
111.04432	0.5
111.08090	0.6
111.11749	0.6
117.01871	1.2
117.05517	0.3
117.07049	0.3
119.04988	0.4
119.08595	2.4
121.02908	0.4
121.06523	0.8
121.10159	3.2
123.04381	0.3
123.08092	1.0
123.11728	0.6
125.06029	0.4
125.09660	1.5
127.03938	29.9
127.11221	6.7
129.01871	0.9
129.06993	0.4
131.04938	0.4
131.08559	1.1
133.06525	0.4
133.08556	0.3
133.10162	1.6
135.04489	0.3
135.08052	0.6
135.11719	1.1
137.05974	1.1
137.09641	4.7
139.11238	1.4
141.01840	0.4
141.06929	0.4
142.07733	0.3
143.10648	0.4
145.02869	1.0
145.04990	3.1
145.06461	0.4
145.10133	1.4
146.08138	1.8
147.02898	0.5
147.04372	0.4
147.08109	0.6
147.11716	2.3
149.02383	1.7
149.09644	7.9
149.13271	0.4
151.07506	0.3
151.11186	0.6
153.01848	5.3
153.09166	0.8
153.12718	0.5
155.10683	7.3
157.10118	0.3
159.02905	3.6
159.04378	1.1
159.08072	0.5
159.11723	0.5
161.05928	0.3
161.09625	0.6
161.13264	0.3
163.03819	0.3
163.11195	1.0
165.01839	0.4
165.12827	0.6
167.05592	0.3
167.10701	9.6
169.06537	0.9
173.06007	0.4
173.09694	0.5
173.13261	0.5
175.07480	0.4
175.14891	0.7
176.15149	0.4
177.05534	0.3
177.16486	0.4
185.11778	0.8
187.07523	0.7
187.14890	0.3
189.03886	0.4
189.16443	0.8
193.15953	0.9
197.05959	0.8
199.14877	0.5
205.15916	1.7
207.13802	0.3
207.17487	0.6
209.15460	0.3
211.16977	0.3
213.03909	0.5
215.07065	3.9
215.10645	0.3
217.15944	1.6
223.16956	5.0
225.05428	0.5
231.05031	1.7
233.11829	0.4
235.16957	14.5
243.06564	4.0
253.05011	1.7
253.18018	12.0
271.06052	100.0
271.19058	6.5
272.06418	0.6
301.07257	0.4
303.23257	0.9
313.07162	0.5
321.24261	1.0
339.25299	0.7
374.16788	0.3
472.40341	0.3
519.24854	1.8
519.31207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.9
55.05514	0.8
57.03434	2.8
59.05001	3.6
67.05503	1.2
67.81998	0.5
69.03423	2.0
69.07063	0.8
70.06581	2.0
71.04997	1.7
71.51389	0.6
73.02923	31.0
73.06557	1.2
81.03431	1.1
81.07065	1.5
81.40694	0.5
82.06587	2.5
83.04987	1.2
85.02915	5.2
85.06554	0.9
86.09735	0.6
87.04475	7.8
89.06040	51.6
93.07060	0.9
95.04983	0.9
95.08608	0.6
97.02912	1.2
97.06539	1.2
99.04462	100.0
100.07610	1.6
101.06030	1.9
103.03959	5.5
105.07049	1.2
107.07105	0.6
107.08604	0.8
109.02898	1.0
109.06499	0.8
110.62801	0.6
113.02352	0.6
113.06021	7.0
117.05505	57.9
117.09141	1.0
119.08599	1.1
121.10150	1.1
123.08097	0.5
123.11694	0.5
124.07623	0.6
127.03934	5.9
128.07100	2.2
129.05505	1.6
131.07065	6.2
131.08629	0.6
133.08614	27.3
133.10133	1.2
137.06052	0.6
141.05490	0.7
143.07062	2.0
145.04918	0.6
145.08653	0.7
145.10138	0.8
146.08159	0.7
157.08624	5.9
159.06561	1.6
161.08128	7.7
161.09457	1.1
161.13373	0.6
175.09708	4.4
177.05566	0.8
177.11234	11.0
187.09639	1.7
189.12798	0.6
195.12431	0.5
199.14726	0.5
203.09177	1.7
205.10689	3.4
209.15407	0.7
210.15700	0.6
217.15950	1.1
219.12315	1.3
221.13858	1.8
233.06415	0.6
235.17068	1.2
239.15009	0.6
241.91586	0.5
247.11790	1.3
249.13307	4.5
263.14951	0.8
265.16409	0.8
283.17621	2.2
293.16119	0.8
326.10977	0.9
371.22812	5.9
425.24136	1.0
456.57556	0.7
464.30130	0.8
482.31281	0.7
483.28226	4.7
500.32129	0.9
501.29410	2.6
518.31879	2.4
519.24146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05034	0.6
57.03423	0.2
58.06630	0.4
59.07406	0.2
60.08168	6.0
60.99282	0.1
61.60610	0.1
67.05511	0.6
69.07082	0.1
69.93468	0.2
69.93856	0.2
70.06583	0.1
71.07376	2.9
79.05504	0.3
80.97427	0.1
81.07059	0.6
86.09711	30.4
93.07047	0.2
95.08603	0.3
97.10170	0.1
98.98468	3.0
100.80371	0.1
104.10746	2.7
107.08571	0.1
110.49425	0.1
119.08578	0.1
125.00010	20.9
131.01123	0.1
143.01003	0.1
155.42976	0.1
166.02725	0.1
166.06322	0.2
178.22815	0.1
184.07349	100.0
185.07663	0.2
197.88530	0.1
207.85294	0.1
258.11160	0.1
323.92883	0.1
414.17557	0.1
469.45850	0.1
500.31430	1.2
518.32440	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2652
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
50.92759	0.5
53.03951	1.1
55.05508	1.2
57.03445	0.8
59.04993	0.7
62.72043	0.5
67.05505	1.2
69.03439	3.7
69.07092	0.6
70.06586	1.3
71.05006	3.8
71.51446	0.7
79.05497	6.1
81.03427	1.1
81.04550	0.8
81.07056	3.9
82.06577	1.6
83.04981	1.3
85.02914	6.4
86.09699	1.0
87.04453	0.6
91.05492	4.5
92.09087	0.5
93.07057	5.7
95.04980	1.7
95.08640	1.5
97.02882	0.9
97.06535	0.8
98.06059	1.9
98.09685	1.1
100.07619	1.7
103.05449	0.7
105.07035	10.9
107.04980	3.0
107.08584	2.0
109.02863	1.1
109.06514	3.7
109.10139	0.6
111.04446	0.9
117.03429	0.6
119.04951	1.2
119.08570	3.2
121.06505	3.7
121.10164	17.8
121.11048	0.8
123.08089	2.1
123.11709	2.5
127.03939	1.4
128.07138	0.8
128.52843	0.6
129.05490	1.5
131.08606	1.0
133.02898	3.5
133.07611	1.1
133.10115	0.6
135.08109	1.0
137.05972	1.7
144.06590	7.3
144.10228	0.6
145.02866	0.7
145.06903	2.2
147.04434	0.8
149.06029	1.4
149.09634	100.0
151.11218	4.9
153.09085	0.7
161.06012	0.9
167.10707	5.2
173.13312	1.4
175.03903	1.6
177.05496	1.9
187.91071	0.5
191.14323	46.9
193.15865	1.7
193.75703	0.5
194.64400	0.6
201.05469	1.4
206.98143	0.6
209.15402	2.2
233.06091	1.4
237.09308	0.7
250.06393	0.8
265.08682	1.2
293.08099	1.1
307.09644	1.1
309.18326	0.7
313.16467	0.7
325.10776	4.5
355.18768	1.9
379.03928	0.6
475.21671	1.6
498.76093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1348
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
52.41042	0.1
67.05508	0.1
70.76177	0.2
77.69962	0.1
79.05504	0.2
81.03416	0.2
81.07053	0.2
85.02889	0.2
87.00914	0.1
91.05523	0.2
93.07088	0.1
95.08610	0.2
101.24771	0.1
103.05455	0.1
105.07062	0.3
107.04966	1.5
107.08586	0.1
108.02124	0.2
109.10185	0.1
118.04166	2.2
123.04445	0.1
124.40877	0.1
127.03867	0.1
133.02893	0.2
133.06493	0.4
136.01566	0.7
137.02347	0.8
137.05965	0.3
140.29041	0.1
145.02863	0.1
147.04419	0.4
147.11627	0.1
152.06206	0.1
153.06955	0.2
154.02654	0.7
156.05695	0.1
163.03926	0.3
164.41821	0.1
165.06833	0.1
169.06392	0.1
170.07172	0.2
177.05408	0.2
181.06531	0.6
182.07298	0.3
184.05222	0.1
195.08014	0.2
197.05975	1.0
198.06747	0.8
199.07538	0.2
201.05461	0.2
213.09120	5.2
225.05475	0.6
226.06244	2.6
234.94725	0.1
237.05475	4.4
241.08603	0.3
253.04993	4.0
253.07660	0.2
254.05759	5.4
269.08093	100.0
270.08505	0.7
279.20166	0.1
325.10532	0.1
355.11584	0.1
375.97433	0.1
473.13898	0.1
517.13336	0.9
517.29926	0.1
527.89752	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	517.1347
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
51.03330	0.2
53.03933	0.3
55.01866	0.4
55.05503	0.5
57.03432	0.5
61.02921	0.4
67.05501	0.5
68.99778	0.4
69.03434	2.1
69.07042	0.7
69.33906	1.6
71.01331	0.4
71.04981	0.4
73.02921	0.3
79.05473	0.7
81.03424	1.9
81.07073	1.0
83.01307	0.2
85.02908	2.8
85.06509	0.4
87.04470	0.8
89.37434	0.2
91.05451	0.7
93.07025	0.5
95.04919	0.5
95.08592	0.8
95.82583	0.2
97.02893	1.7
97.06515	0.5
97.10147	0.3
99.04438	0.8
100.07620	0.2
103.03966	0.4
105.03382	0.2
105.07019	0.7
107.04939	0.8
107.08570	0.6
109.02910	1.6
109.06505	0.2
109.10162	0.5
117.05458	0.2
119.04961	0.5
119.08561	0.5
121.06542	0.2
121.10146	0.3
123.04452	0.2
123.11688	0.3
127.03923	2.3
133.02815	0.5
133.06487	0.4
133.10091	0.7
134.47882	0.2
135.04433	0.3
135.08054	0.4
137.05984	0.8
145.02881	0.3
145.04919	0.5
145.06519	0.2
145.10130	0.4
147.04413	1.0
147.11682	0.3
149.06029	0.3
151.03877	0.5
153.06914	0.3
157.10118	0.3
158.07280	0.2
159.11728	0.2
161.05988	0.7
161.13274	0.2
165.07048	0.2
167.07114	0.3
167.08565	0.2
170.07228	0.7
171.08049	0.5
173.05977	0.2
173.09648	0.5
175.03951	0.2
175.07555	0.2
177.05466	0.6
180.05711	0.3
181.06497	1.4
182.07304	0.7
183.07877	0.2
184.05229	0.6
185.06021	0.6
185.09592	0.4
186.06705	0.5
187.06078	1.6
187.07556	0.3
195.08098	0.3
197.05977	1.6
198.06761	2.9
199.07567	1.6
201.05492	1.8
201.09126	0.9
208.05107	0.2
209.05936	1.4
210.06763	0.7
213.09137	8.8
222.06538	0.2
223.07547	0.9
225.05518	0.3
226.06239	5.5
227.06999	0.6
234.06680	0.3
235.07898	0.2
235.16960	0.3
237.05457	0.9
238.06201	0.7
239.07072	0.4
240.07863	0.3
241.08603	1.3
251.06973	0.7
252.07771	0.3
253.04942	0.3
254.05760	7.7
267.06549	0.4
268.07410	0.3
269.08096	100.0
270.08435	0.9
277.08643	0.3
283.09766	0.3
297.07715	0.3
307.09723	0.4
311.09174	1.5
325.10736	0.4
355.11832	1.1
431.13528	0.7
473.14478	21.0
474.14859	0.4
485.17889	0.2
512.83716	0.2
517.13397	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01867	0.4
55.05486	0.4
57.03418	0.5
58.18067	0.2
67.05508	0.3
68.99776	0.5
69.03436	1.7
69.07039	0.7
69.86824	0.8
71.01328	0.4
73.02905	0.5
75.75185	0.2
75.86642	0.2
79.05489	0.5
81.03423	1.8
81.07043	0.7
85.02917	2.6
87.04443	0.8
89.06017	0.3
91.05454	0.5
93.07027	0.5
95.04982	0.4
95.08611	0.4
97.02886	1.4
97.06519	0.4
97.10139	0.4
99.04427	0.8
100.11298	0.2
105.07022	0.7
107.04942	0.9
107.08589	0.5
109.02907	1.6
109.06494	0.2
119.04945	0.3
119.08586	0.6
121.06484	0.2
121.10151	0.4
123.04429	0.4
123.11684	0.2
123.26244	0.2
125.09550	0.2
127.03925	2.5
131.04837	0.3
131.08575	0.3
133.06470	0.2
133.10118	0.7
135.04451	0.3
135.08032	0.3
137.05969	0.9
141.06981	0.2
144.63727	0.2
145.02866	0.3
145.04927	0.6
145.10127	0.4
147.04379	0.6
149.05984	0.3
151.03909	0.3
153.06963	0.4
158.07315	0.3
159.11679	0.4
161.06000	0.5
163.07452	0.2
165.07013	0.3
167.06995	0.4
169.06491	0.3
170.07309	0.7
171.08058	0.5
173.09680	0.3
175.03931	0.5
175.07538	0.2
177.05505	0.8
181.06523	1.4
182.07285	0.8
183.07996	0.3
184.05173	0.7
185.06075	0.5
185.09651	0.3
186.06743	0.3
187.05988	1.3
195.08069	0.4
197.05905	1.4
198.06747	2.9
199.07605	1.7
201.05511	2.0
201.09106	0.7
209.06001	1.2
210.06746	0.9
211.07544	0.3
212.04655	0.2
213.09135	7.9
223.07724	1.1
225.05527	0.5
226.06252	5.6
227.07039	0.5
237.05411	1.2
238.06219	0.9
239.07042	0.7
240.07848	0.2
241.08618	1.6
251.06970	0.7
253.04991	0.4
254.05759	7.2
267.06448	0.7
268.07410	0.3
269.08096	100.0
270.08478	0.8
277.08795	0.3
283.09586	0.4
292.49594	0.3
294.08859	0.2
297.07703	0.4
305.08270	0.3
311.09149	1.7
325.10635	0.3
337.10733	0.2
349.15063	0.3
352.71210	0.2
355.11850	1.4
431.13422	1.1
473.14490	20.1
517.13409	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	515.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01879	2.5
55.05511	13.5
57.03448	6.0
65.03946	1.9
67.05516	38.9
69.07075	10.8
71.01342	1.8
71.04995	2.9
71.52106	1.8
71.52512	1.5
79.05504	43.2
81.03432	2.2
81.07070	28.5
83.04979	5.8
83.08630	4.1
85.06577	2.2
90.51083	1.2
91.05487	21.3
93.07056	47.6
95.04985	4.2
95.08620	19.9
97.06519	7.9
97.10161	6.2
105.07033	15.5
107.08613	22.9
109.10158	9.0
111.08109	1.6
117.07047	6.6
119.08607	11.3
120.09850	1.1
121.10160	14.4
123.11724	2.4
129.07014	2.9
131.08601	7.7
133.10167	7.3
135.11713	28.9
143.08585	4.8
145.10147	13.4
147.11696	4.4
149.13301	4.2
153.12778	2.8
155.08492	1.4
157.10197	2.3
159.11708	6.2
161.13307	3.8
163.11180	2.4
171.11711	3.3
172.77577	1.2
173.13277	6.3
181.12207	6.0
183.11684	1.4
185.13354	2.7
187.14835	2.9
213.88744	1.5
245.22079	1.2
261.22260	4.4
405.31366	1.6
423.32581	4.4
497.36432	2.2
515.37384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05513	5.0
57.07076	1.0
57.11198	0.4
59.05003	1.5
67.04250	1.1
67.05508	2.3
69.03423	0.5
69.07072	4.8
69.13841	0.4
69.29137	0.4
70.05428	0.4
70.06587	1.4
71.04995	1.9
71.14822	0.4
71.16724	0.9
72.08154	1.2
79.05492	3.6
81.03449	0.5
81.07064	7.8
82.06586	27.4
83.08624	3.6
84.04456	0.6
85.02930	0.7
85.06551	0.9
86.06091	1.4
86.09706	1.1
87.04479	0.5
91.05482	3.1
93.03334	0.4
93.07045	7.5
94.06595	0.4
95.08613	11.5
96.10062	0.4
97.02885	0.8
97.10183	4.1
98.06074	1.0
98.09700	1.0
99.08110	1.5
100.07624	100.0
103.05468	0.6
105.07055	3.0
107.08602	15.6
109.06526	0.5
109.10174	4.7
111.08138	0.5
113.09623	0.5
116.07098	1.2
119.08589	1.4
121.10150	25.5
123.08083	0.6
123.11720	0.5
125.13345	0.4
127.03954	0.9
128.07069	0.7
133.07626	0.6
135.11696	6.0
137.06039	0.4
137.13275	4.0
142.08609	0.6
144.06563	0.7
144.10182	0.7
149.13277	1.5
160.09711	10.9
168.06555	0.5
177.16397	8.5
177.17841	0.6
183.07106	0.5
184.25629	0.4
246.46027	0.4
251.18651	0.9
262.13016	0.6
286.12686	0.6
304.13931	6.8
322.15045	2.8
476.77502	0.5
484.19431	0.6
498.19366	0.6
516.31732	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.05523	29.7
57.03424	11.7
61.02927	6.5
67.05179	7.9
67.05509	94.6
67.75709	5.1
69.03417	17.5
69.07076	29.6
69.30500	5.3
69.33768	34.9
69.34176	12.0
71.05001	7.5
77.03970	5.8
79.05501	76.5
81.03403	18.2
81.07066	100.0
83.08613	12.4
84.08146	8.7
85.02894	14.6
85.06528	6.1
91.05482	57.9
93.07047	74.4
95.08614	87.5
97.02896	6.0
97.06528	7.5
97.10143	10.8
105.07027	47.5
107.04942	7.3
107.08591	49.6
109.06506	12.9
109.10161	41.8
117.07027	18.7
119.08604	38.3
121.06519	6.2
121.10165	38.9
123.11700	21.2
127.03948	7.1
129.06985	14.5
131.08580	42.5
133.10146	31.7
135.08076	8.6
135.11694	31.0
143.08507	10.9
145.10152	26.6
147.11678	22.3
149.09558	6.4
149.13286	25.2
151.11230	6.5
155.08569	9.3
159.11713	27.0
161.13261	16.0
163.14798	12.9
171.11665	6.7
173.13251	24.3
175.14743	8.1
177.16376	6.3
183.11635	5.6
185.13261	6.8
187.14761	13.9
193.30583	7.1
197.13237	6.8
243.21092	23.0
261.22162	81.2
292.30392	5.0
301.21848	6.8
322.25354	6.5
335.25711	11.9
353.26871	28.7
369.24268	12.9
377.26678	5.4
405.26563	9.3
419.28177	7.8
443.28021	6.9
459.91235	6.1
461.28775	16.5
497.30948	20.4
508.74075	6.1
515.26050	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57783	3.1
53.03942	10.4
55.05513	22.6
56.61627	3.8
57.03428	14.3
57.07077	5.6
61.02900	7.0
65.03944	3.6
67.05511	100.0
69.03423	16.1
69.07079	24.2
71.01344	3.6
71.52663	6.0
79.05495	62.0
81.03410	13.5
81.07063	99.0
83.08617	14.8
83.09083	3.7
85.02904	11.5
85.06529	4.3
91.03945	5.4
91.05486	46.1
93.07052	76.2
95.04983	8.9
95.08611	82.4
96.83817	3.8
97.02899	7.6
97.06535	6.0
97.10163	5.8
99.08079	8.4
105.07030	37.2
107.08611	46.0
109.06496	9.8
109.10164	32.4
111.08087	6.3
117.07019	20.2
119.08589	28.8
121.10141	34.7
123.08086	6.4
123.11677	18.3
131.08583	33.7
133.10155	27.2
135.11693	24.7
137.13237	6.4
143.08601	7.5
145.10139	24.3
147.11714	15.2
149.13275	20.0
151.07578	5.3
157.10117	10.8
159.11716	21.0
161.09662	4.2
161.13249	14.9
163.11172	4.2
163.14835	15.5
171.11708	5.0
173.13284	15.0
175.14798	5.6
177.16394	5.5
185.13231	5.7
187.14861	10.3
189.16275	3.8
201.16493	3.8
243.21085	26.6
261.22171	67.1
279.23309	4.5
301.21552	4.8
303.23129	7.5
335.25891	26.9
345.24197	10.4
353.26794	24.2
358.66864	5.2
369.24344	10.2
377.26770	4.8
405.26477	6.5
419.27716	7.8
443.27838	8.8
461.29245	5.0
492.34354	4.2
497.31110	14.8
515.26147	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01855	3.2
55.05513	20.0
57.03444	7.6
57.07068	4.3
59.04966	1.4
61.02922	5.1
65.03945	4.2
67.05508	90.0
69.03419	5.8
69.07074	16.1
70.18034	6.4
71.04981	5.5
73.02923	2.0
78.97690	1.8
79.05494	54.6
81.03408	4.7
81.07058	99.9
83.04974	3.0
83.08604	10.5
85.02898	7.2
85.06525	4.5
91.03983	2.7
91.05486	28.5
93.07049	66.9
93.07644	3.3
95.04964	5.3
95.08610	85.1
97.02866	5.0
97.06521	5.6
97.10144	6.6
99.08080	6.1
105.07044	26.0
107.04967	1.8
107.08598	38.5
108.12312	1.5
109.06509	5.0
109.10163	41.4
111.08096	3.1
117.06997	12.7
119.08582	22.0
121.10146	44.8
123.08056	4.1
123.11702	21.1
125.09650	3.0
127.03875	1.9
128.06155	2.1
129.06996	3.6
131.08563	29.0
133.10139	20.1
135.08026	2.8
135.11700	31.1
137.09612	2.3
137.13251	6.3
139.11186	2.0
141.06975	2.1
145.10112	18.9
147.11685	18.5
149.09612	3.2
149.13274	25.0
151.14830	2.1
159.11711	18.4
161.13274	14.5
163.14822	12.9
165.12764	2.5
167.14340	2.1
171.11713	2.5
173.13275	20.5
175.14824	5.9
177.16405	5.3
179.14301	4.1
185.13344	2.1
187.14825	10.1
191.14211	3.1
201.16418	4.7
215.17938	2.4
223.16862	1.6
233.22658	4.0
243.21089	29.6
261.22134	100.0
267.16293	1.7
279.23157	5.4
285.86880	1.9
288.66769	1.9
301.21637	3.4
303.23138	5.0
306.26114	1.7
335.25751	28.0
345.24121	3.8
351.22937	1.6
353.26862	23.9
369.24173	4.7
377.26920	2.3
387.25220	2.9
419.27856	3.4
461.28467	2.8
479.30038	3.1
497.31219	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01893	1.9
55.05520	17.6
57.03450	6.8
57.07082	5.2
59.28301	1.9
61.02938	4.6
65.03938	3.0
66.61245	1.6
67.05515	86.7
69.03446	11.6
69.07075	18.1
71.04992	6.6
71.52672	3.3
79.05502	66.6
79.82244	2.2
79.85584	1.6
80.77300	1.8
81.03433	5.4
81.07069	100.0
83.08632	10.5
85.02901	6.7
85.06562	6.3
91.03967	2.2
91.04977	3.0
91.05499	36.9
91.06035	4.0
93.07058	76.9
95.04984	5.7
95.08620	86.9
97.02892	4.2
97.06557	5.9
97.10162	5.5
99.08116	5.4
105.07036	34.5
107.08611	58.6
109.06520	5.3
109.10168	42.2
111.08097	4.3
113.09624	3.4
117.07024	16.8
119.08596	22.7
121.06519	3.1
121.10158	47.8
123.08076	3.6
123.11732	25.0
125.09713	2.3
127.03952	3.8
129.07031	5.4
131.08589	30.8
133.10144	25.3
135.08060	3.3
135.11717	34.0
137.13269	7.8
143.08566	4.4
145.10146	22.9
147.11710	22.5
149.13257	30.1
151.07687	1.9
151.11162	3.1
151.14883	4.1
155.08571	2.6
157.10170	3.8
159.11720	26.5
161.13271	16.5
163.14839	19.7
163.24478	2.2
169.10144	3.0
171.11673	3.8
173.13272	25.1
175.14815	6.4
177.12750	4.3
177.16393	6.6
179.14307	3.6
185.13374	2.5
187.14867	12.1
189.16415	2.4
191.14296	3.1
201.16428	6.0
205.15862	3.2
233.22690	4.3
243.21101	34.6
259.20474	2.5
261.22183	98.6
270.77628	1.9
273.22141	2.1
279.23172	4.8
293.20615	1.8
303.23401	3.6
335.25854	16.0
345.24539	5.3
353.26901	24.1
369.24222	6.6
387.25174	5.0
395.28766	2.0
405.26407	6.2
419.27689	2.4
461.28989	3.7
479.30310	5.3
497.30966	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	515.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87318	0.9
53.03948	2.5
54.96743	1.0
55.05517	1.9
57.03426	3.7
57.07069	1.1
64.58182	0.9
67.05501	3.0
69.03429	6.8
69.07030	1.0
70.56660	2.2
70.57035	1.8
71.01357	1.6
73.02908	1.2
75.04471	1.9
79.05489	2.6
81.03425	4.7
81.07048	2.3
83.04983	11.2
85.02911	5.5
85.06563	1.6
86.09681	1.2
91.05067	0.9
91.05505	8.9
93.07051	11.3
95.01331	3.9
95.04971	4.7
97.02887	3.7
99.00814	1.1
105.07054	4.7
107.04947	1.2
107.08603	15.4
109.02890	9.0
109.03670	1.2
109.06538	6.0
111.04454	1.9
111.08125	0.9
113.02345	3.4
113.05991	1.2
117.05583	1.2
117.07053	5.0
119.08591	8.8
121.02905	1.4
121.06520	25.1
121.07377	1.7
121.10146	2.7
123.08064	1.6
125.09662	1.0
127.03941	2.0
128.06177	1.1
129.07004	2.2
131.08553	7.5
133.10162	5.0
135.08069	34.5
137.06006	3.7
137.09644	1.3
141.01848	7.4
142.07768	1.4
143.08551	3.6
144.09334	3.6
145.06474	3.3
145.10132	5.2
147.04477	1.7
147.08064	1.6
149.05998	1.2
149.09644	7.3
151.11151	1.8
153.05502	1.6
153.09103	1.9
155.08522	1.3
157.10129	2.0
158.10904	5.1
159.02896	2.1
159.08095	6.4
159.11703	14.6
161.09589	3.3
161.13278	1.5
163.07550	12.6
163.11218	1.3
168.09312	1.0
170.10844	1.2
171.08113	1.7
172.08826	2.7
173.09650	11.9
173.13277	20.9
175.07538	1.1
177.05438	2.4
181.06566	1.0
183.11697	3.3
185.13235	1.5
186.10402	9.6
187.07677	1.3
187.09514	1.8
187.11206	34.7
189.12578	1.3
191.07045	59.8
191.47389	1.1
193.10176	1.2
193.12199	1.4
194.12634	1.5
196.08789	2.9
201.12761	32.9
203.14354	2.5
205.12241	13.2
211.11212	6.8
214.09883	1.1
215.05473	2.9
219.13844	13.5
229.12265	56.3
233.06618	2.9
244.89551	1.1
247.13319	100.0
248.13480	1.8
251.07686	1.7
265.10822	1.1
285.16861	1.9
286.17303	2.9
303.15805	2.6
304.39264	1.0
321.16998	62.7
339.17935	1.7
339.34055	1.2
376.58804	1.0
429.21170	1.9
453.21100	1.3
471.22101	1.3
497.20401	5.5
515.20197	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	514.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05502	1.4
55.18796	0.6
55.30912	0.7
65.03928	0.9
67.05492	3.1
69.03416	2.2
69.07066	1.2
70.06593	9.2
71.04988	2.3
71.51538	1.1
73.02904	1.0
79.05500	3.4
81.03419	2.4
81.07063	5.6
82.06585	1.4
83.05009	1.1
84.04504	1.1
84.08124	1.3
85.02901	3.9
85.06538	0.9
86.09708	1.1
88.03999	15.9
88.13328	0.7
91.05480	3.2
93.07062	3.9
95.04975	44.8
95.08586	3.7
96.08130	4.8
97.02893	2.4
97.06583	1.1
98.06056	3.2
98.09699	100.0
99.04474	3.5
100.07629	1.1
105.07031	4.5
107.04964	1.9
107.08614	5.5
109.02882	1.2
109.06535	5.0
109.10167	2.6
111.04450	1.6
111.08073	0.9
113.09686	0.7
114.09184	2.6
116.07090	0.9
117.07094	0.8
119.08578	3.3
121.02885	1.1
121.10163	2.9
123.08070	2.0
123.11732	2.5
124.03972	1.2
124.07633	0.7
124.08463	0.9
126.09148	1.3
127.03934	1.3
128.07112	1.5
131.08607	2.3
133.10133	8.1
135.08073	2.9
137.05991	1.4
137.09560	0.9
137.63260	0.7
140.20456	0.6
142.08640	8.9
144.06573	17.2
144.10204	32.2
145.10124	1.4
147.04507	0.9
147.11745	1.4
149.09627	0.9
149.13297	1.7
153.09158	2.0
165.09129	7.0
166.09505	1.0
171.11717	0.8
173.13329	3.1
178.05060	1.1
186.11430	1.0
189.12814	2.0
191.10622	1.0
191.14352	5.0
193.05939	0.8
209.11639	0.9
209.15370	0.7
229.15808	0.8
242.13905	1.1
245.11855	1.1
246.12050	1.7
247.17085	2.2
252.12364	2.7
265.18021	5.3
270.13354	7.1
288.14426	11.6
296.15125	1.1
306.15457	4.0
334.20135	1.1
337.16586	1.1
338.12723	0.9
338.16916	1.4
352.21204	15.1
352.25269	0.8
416.78207	0.9
496.29153	13.1
514.30292	71.5
515.30475	1.1
529.29254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50016	1.1
53.03942	2.7
55.01859	3.7
55.05513	20.7
57.03428	2.3
57.07074	3.1
59.04987	6.2
66.98676	1.2
67.05511	15.9
69.03424	4.0
69.07072	62.9
70.06561	2.0
71.05016	2.2
71.52034	1.3
71.52405	1.5
73.02892	2.4
73.06546	3.6
79.05489	18.0
80.28313	1.2
81.07063	42.0
83.04993	13.4
83.08624	7.2
84.44353	1.3
85.02919	2.2
85.06544	5.7
87.04472	7.2
89.06039	58.8
91.05483	2.7
93.07053	35.5
95.05002	1.6
95.08607	27.9
97.02889	1.7
97.06541	21.1
97.10178	21.9
99.04473	6.8
101.06026	2.7
103.07566	1.9
105.07034	2.6
107.08628	2.0
109.10149	2.8
111.11734	11.1
115.07580	1.3
121.10155	45.1
123.11728	1.4
131.07094	1.4
133.08609	37.3
135.11610	2.1
139.11192	100.0
139.23485	1.2
145.66580	1.4
146.08145	1.6
151.09676	1.8
156.58792	1.3
157.12250	68.4
177.11226	21.2
183.13818	83.7
193.71530	1.3
197.15376	3.2
199.13329	2.2
201.14865	19.3
202.37161	1.3
207.89861	1.4
215.16434	5.1
221.13837	1.9
239.14822	2.1
241.17984	8.6
245.17522	4.8
259.19077	3.6
265.16373	2.1
283.17514	22.3
289.20145	3.9
323.20718	2.2
333.22717	5.4
377.25262	3.6
421.28284	7.5
452.58273	1.3
479.32407	7.9
497.33405	6.5
514.35828	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	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05494	4.9
57.03429	4.8
67.05509	10.2
69.03429	2.8
69.07063	3.5
70.06590	4.4
71.04996	2.0
71.36165	2.4
72.75469	1.4
74.31709	1.2
79.05486	8.6
81.03426	88.9
81.07050	10.0
82.06565	5.1
83.04986	5.0
83.08221	1.8
83.08628	20.3
85.02894	4.9
85.06512	1.8
86.09692	3.6
91.05493	11.0
93.07070	9.8
94.56921	1.4
95.04988	25.5
95.08589	4.0
97.02895	4.7
97.06499	2.5
98.09713	7.1
99.04465	1.5
100.07620	16.2
100.59674	1.3
105.07044	10.0
107.04964	4.8
107.08584	5.8
109.02861	2.3
109.06497	2.9
109.10184	2.6
111.04452	2.7
111.08112	12.4
113.50628	1.5
113.51484	1.4
119.08612	11.7
121.06502	3.0
121.10130	7.1
122.61378	1.4
123.08157	2.0
124.03964	2.9
125.09558	2.2
127.03910	2.3
129.07013	8.1
131.08606	8.5
133.06483	1.8
133.10101	4.5
135.08040	2.4
137.09637	1.8
140.07042	3.3
144.06477	1.9
146.05989	1.7
147.04443	2.3
147.08037	3.8
147.11717	8.6
149.09605	3.5
157.09006	1.6
157.10133	11.0
159.11674	1.6
163.03880	2.3
163.11160	3.0
165.12766	2.3
172.04073	1.4
175.11192	12.1
175.14886	1.8
177.05443	1.5
181.05075	2.1
188.26175	1.5
190.08638	1.7
191.07144	1.3
192.10182	1.5
193.12267	73.4
197.28522	1.7
211.13275	5.8
216.76845	1.5
235.13127	2.3
267.15939	46.8
279.31366	1.5
285.16992	100.0
297.77292	1.5
309.16919	12.3
323.12466	2.9
328.37823	1.5
340.67932	1.6
363.18054	3.4
411.19980	2.1
429.21194	7.0
445.15228	1.5
457.26392	1.7
482.19052	2.2
514.18872	3.1
514.30621	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	514.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16629	0.2
56.78448	0.1
57.03425	0.3
61.02922	0.1
67.04250	0.8
69.03418	0.6
69.07065	0.5
69.33086	0.3
69.33485	0.9
70.06591	1.7
73.02898	0.2
78.78373	0.2
80.05035	0.2
81.03403	0.2
81.07043	0.2
81.55216	0.2
82.06581	2.6
85.02909	1.1
87.04469	0.2
88.03995	2.2
91.05492	0.3
93.07046	0.2
94.06571	0.2
95.04980	1.8
95.08589	0.3
96.08138	0.2
97.02898	0.4
98.06061	12.8
98.09692	2.0
98.21289	0.6
105.07040	0.3
107.08604	0.3
108.04423	0.3
109.06540	0.5
109.10155	0.2
116.07100	3.8
119.08553	0.2
121.10145	0.2
122.06023	0.2
124.03991	0.3
126.05512	1.0
127.03922	0.2
133.10133	0.3
135.04475	0.3
135.08075	0.5
140.07101	0.4
142.08618	0.3
144.06564	100.0
145.06891	0.3
147.04404	0.2
149.09593	0.2
162.54839	0.1
165.09137	0.3
188.10762	0.3
209.15407	0.4
219.87936	0.2
247.16948	0.3
270.13351	0.2
313.11807	0.2
334.20242	0.4
352.21201	22.3
374.53680	0.1
482.19171	0.4
496.29410	0.3
514.25385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05499	0.3
57.03428	0.4
65.03902	0.3
67.04250	0.6
67.05492	0.4
69.03442	1.5
69.07066	0.7
70.02939	0.3
70.06604	3.1
70.79043	0.7
72.04474	0.3
72.08164	0.4
73.02897	0.5
79.05489	0.4
81.03413	0.9
81.07060	0.4
82.06586	2.4
83.05003	0.3
83.08585	0.3
84.08161	0.4
85.02901	2.4
87.04457	0.4
88.03996	8.6
91.05477	1.0
93.07056	0.5
94.06532	0.3
95.04977	3.3
95.08613	0.6
96.08141	0.5
97.02882	1.3
98.06063	11.6
98.09698	3.2
100.07600	0.7
104.35452	0.2
105.06995	1.0
107.04951	0.8
107.08595	0.8
109.02896	0.5
109.06535	1.0
111.08075	0.3
116.07088	2.8
119.04948	0.5
119.08556	1.1
121.06508	0.6
121.10139	0.7
123.08069	0.5
124.07628	0.4
126.05547	0.7
126.09148	0.8
127.03922	0.7
128.07097	0.5
129.07001	0.4
131.08478	0.3
133.10149	0.6
135.04445	1.3
135.08122	1.4
142.08681	0.6
144.06567	100.0
144.10147	1.4
145.10143	0.7
146.08125	0.5
147.04387	0.4
147.11699	1.2
149.09642	1.2
151.07571	0.6
151.11226	0.3
170.74623	0.2
171.11671	0.4
173.13313	0.4
175.03972	0.5
175.11169	0.4
177.05511	0.4
177.09064	0.6
187.11172	0.3
189.12770	0.7
191.10693	0.4
191.14430	0.6
206.09048	0.3
207.06549	1.0
209.15468	0.3
229.15886	1.2
231.13841	0.3
239.06909	0.3
247.16939	3.2
288.19681	0.3
306.15610	0.5
306.20715	0.7
328.14005	0.3
334.20151	2.0
352.21240	8.8
378.78448	0.3
496.29196	1.0
514.20807	0.4
514.26666	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	514.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.05517	1.5
57.03461	1.3
60.04520	0.7
60.34864	0.7
61.02949	1.0
65.03939	0.7
67.05519	3.1
69.03435	4.6
69.07079	2.1
70.05641	2.7
70.06602	5.9
71.04995	3.9
72.08154	0.7
73.02906	1.1
74.72606	0.7
79.05478	2.0
79.84967	0.6
81.03439	3.1
81.07053	2.9
82.06582	2.2
83.04970	1.7
83.08590	0.7
84.04559	0.6
84.08150	2.1
85.02909	9.8
85.06563	0.9
86.06075	0.9
87.04481	1.3
88.04001	100.0
91.05481	2.6
93.07043	3.4
95.04377	1.6
95.04981	27.0
95.08606	3.6
96.08141	3.2
97.02901	4.8
98.06062	3.2
98.09703	51.8
98.21477	0.9
99.04452	6.2
100.07619	0.9
105.07055	4.8
107.04968	7.7
107.08596	4.0
109.02892	1.6
109.06528	5.2
109.10172	4.1
111.04489	0.8
116.07098	1.0
117.07017	1.0
119.04996	0.7
119.08567	5.3
121.02919	0.9
121.06521	3.2
121.10172	3.6
123.08082	2.3
123.11732	2.2
124.03973	1.7
127.03910	2.1
127.07606	1.4
128.07085	1.3
131.08583	2.9
133.06534	1.8
133.10149	7.2
135.08034	3.4
142.08638	3.3
144.06570	16.8
144.10216	17.6
145.10129	2.0
146.08101	0.7
147.08066	2.2
147.11714	3.4
149.09602	4.0
149.13326	1.1
151.07565	2.3
151.11168	1.1
153.09138	1.4
158.08180	1.5
159.07997	0.8
159.11662	0.9
165.09131	38.5
167.07104	0.9
171.11690	3.2
173.13304	1.6
177.05524	1.7
179.10701	1.8
189.12743	8.8
191.10664	7.5
191.14349	2.7
205.12306	0.8
207.13776	5.3
208.09531	0.8
209.11746	3.4
229.15883	3.1
245.11679	1.1
247.16968	10.8
252.12367	4.5
265.18005	29.2
270.13342	4.6
288.14490	6.5
296.14938	5.6
306.15475	2.3
327.12811	0.6
334.20163	6.8
338.12268	1.3
352.21219	94.8
357.22729	0.7
496.17242	1.1
496.29300	5.7
514.29889	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.9
57.03447	7.9
57.07067	6.1
59.05007	23.7
65.71129	1.6
67.05508	14.4
69.03421	2.6
69.07075	67.8
69.56735	9.9
71.04986	4.3
71.08629	2.1
74.64919	1.4
79.05498	13.9
79.10793	1.4
81.07066	20.6
83.04970	5.1
83.08629	17.2
85.06549	2.4
89.06037	14.3
91.05470	5.6
93.07054	32.0
95.08620	25.5
97.06548	27.5
97.10171	3.1
101.06042	3.5
101.09636	2.2
103.07564	4.3
105.07040	2.8
107.08598	34.2
109.06548	1.5
109.10168	15.7
111.08089	7.8
111.11739	9.8
115.07559	4.3
116.18210	1.5
117.09132	10.2
121.10118	2.3
129.32910	1.4
133.08627	13.6
135.11708	68.6
139.11122	2.0
149.13268	4.7
151.09708	2.7
153.12761	100.0
167.14314	5.7
171.13815	96.9
177.11246	1.6
185.15361	5.7
191.12804	5.9
193.04813	1.5
197.15367	5.0
209.13789	5.2
211.16965	5.7
215.16475	2.0
229.18016	35.5
249.17056	2.7
267.18030	2.0
287.22186	18.5
303.21814	2.1
345.26251	2.9
495.35120	5.5
512.41370	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28300	1.1
51.58738	1.1
53.03947	1.6
55.01872	2.8
55.05516	8.7
56.09050	1.1
57.03452	6.7
59.04992	1.2
65.03951	2.1
67.05508	6.9
67.70456	1.1
68.04971	1.1
69.03452	10.1
69.51539	6.2
70.06609	2.0
71.01366	4.4
71.04976	1.7
73.02928	4.4
75.04494	3.4
75.68864	1.0
79.05506	17.6
81.03416	1.8
81.07069	42.0
83.05004	4.7
85.02923	17.4
91.05489	10.8
93.07082	6.5
95.01351	11.3
95.04988	13.2
95.08627	5.0
97.02886	5.2
97.06554	2.2
98.09720	1.9
98.21526	2.0
99.00845	1.9
99.04465	2.2
101.02378	1.2
103.03954	2.2
105.07029	10.8
107.04987	7.1
107.08647	3.9
109.02929	2.0
109.06537	54.8
109.10190	1.4
110.07271	1.6
111.04472	10.6
113.02396	7.2
115.05500	1.5
117.05527	2.4
117.07040	2.4
119.04987	1.2
119.08595	13.8
120.94679	1.0
121.06530	18.7
121.10184	3.5
123.04505	1.4
123.08089	43.4
127.04000	1.6
127.07563	10.9
128.06242	1.8
129.07028	2.2
129.09169	1.2
130.05054	1.5
131.03400	1.7
131.08594	6.3
133.06506	4.6
133.07474	1.1
133.10161	5.9
135.04428	14.8
135.08081	6.0
135.11664	1.4
137.06006	31.9
141.01860	14.5
141.07018	1.9
142.07755	6.1
143.08598	4.3
144.06604	7.8
145.04988	1.3
145.06549	4.3
145.10153	3.2
147.04517	1.2
147.08057	8.0
147.11702	6.2
149.06001	3.9
151.07579	4.9
155.08636	1.2
156.09363	4.1
157.10144	8.4
158.07213	1.3
159.02910	3.3
159.08090	19.1
159.11751	4.1
160.08900	2.1
161.06021	5.2
161.09685	7.4
161.13287	1.3
163.07533	3.3
165.09146	47.6
166.07832	1.9
171.08096	1.4
171.11751	7.6
173.09639	3.7
173.13290	2.3
174.06757	2.0
175.07619	4.1
175.11211	13.5
181.06834	1.1
181.10085	2.6
184.08945	1.9
185.08125	3.2
185.09662	4.7
187.07552	6.8
187.11255	3.4
189.09117	1.2
189.12831	2.0
189.40964	1.1
199.11217	13.4
201.09128	1.3
201.12822	1.8
203.10641	13.2
205.08679	1.6
209.09706	1.8
215.05583	6.0
215.10779	2.4
217.12259	29.8
227.10674	7.0
233.06583	3.2
245.11783	100.0
263.12854	5.2
291.42963	1.1
319.15549	1.8
333.26678	1.1
337.16504	52.7
351.20740	1.6
355.81030	1.2
421.14969	2.9
513.18634	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.0
55.01872	4.5
55.05519	16.9
57.03433	7.0
61.02915	9.9
67.05518	28.5
69.03418	5.7
69.07059	13.8
71.04995	7.4
71.52289	4.7
73.02919	7.3
79.05493	41.8
81.03413	5.8
81.07067	43.4
83.08604	8.5
85.02913	16.4
91.03951	5.8
91.05487	35.2
93.06580	3.7
93.07063	43.2
95.04987	4.1
95.08611	33.0
97.02895	12.7
97.06538	4.8
97.10155	4.0
103.03941	4.9
105.07038	38.5
107.08595	30.8
109.10159	13.9
117.07009	9.3
119.08588	31.7
121.06501	4.7
121.10126	27.2
123.11666	6.0
127.03893	7.4
129.06990	7.4
131.08597	14.9
133.10161	29.3
135.11707	23.9
140.80954	4.0
143.08546	6.1
145.10144	14.8
147.11700	28.3
149.09644	5.6
149.13300	20.8
150.13707	3.4
153.12787	5.3
157.10129	8.7
159.11720	16.4
160.00735	3.8
161.13228	28.0
163.14745	9.2
171.11722	8.6
173.13287	11.3
175.14844	13.6
185.13301	12.6
187.14842	4.5
193.12328	4.0
199.14771	3.4
231.21021	5.8
241.19577	22.6
259.20554	58.6
267.15979	5.9
277.21628	5.1
285.17050	6.8
333.24448	5.5
349.23898	5.6
351.25305	100.0
375.25433	4.1
427.09952	4.0
459.27295	6.6
477.28549	5.5
495.29767	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	510.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00392	1.9
55.05513	2.6
57.03450	2.8
57.07082	100.0
59.05005	31.9
69.07058	4.6
70.06591	2.3
71.08637	74.5
73.02929	31.4
77.15920	1.9
79.84319	1.8
81.07071	2.0
83.08618	3.0
85.10191	64.9
89.06028	6.4
93.43806	2.5
95.08576	1.8
97.10160	1.9
98.21510	7.5
99.11737	11.8
101.09671	5.9
103.07613	2.6
113.13288	2.9
117.09152	10.9
119.45743	1.9
128.26416	1.7
133.08575	3.2
153.44614	1.9
155.17967	7.5
185.18918	2.1
195.12260	5.5
205.10728	7.8
213.22160	13.8
223.11778	2.4
243.23293	4.1
253.16466	2.8
254.25052	1.9
256.26334	3.4
271.26331	8.2
289.92520	1.9
510.39688	7.0
510.48792	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
57.03420	3.7
57.07081	100.0
59.05008	44.9
59.30973	1.5
69.07071	2.4
70.06592	1.5
71.08638	68.7
81.07051	2.1
83.08620	3.8
85.10191	63.8
87.04469	1.9
89.06054	11.2
95.08659	1.2
97.10172	3.4
97.42143	1.3
98.21542	3.2
98.54685	1.2
99.11742	11.2
101.06051	1.7
101.09678	4.6
103.07536	2.0
113.13297	5.3
117.09148	16.3
125.04732	1.3
147.10165	4.3
155.17961	10.3
202.36606	1.3
205.14384	3.2
213.22154	19.4
223.15506	1.4
229.14955	1.3
254.24568	1.9
256.26434	1.7
263.18665	1.9
271.21671	1.4
271.26349	22.0
274.48184	1.5
329.30423	1.6
381.66269	1.6
493.41144	4.5
510.32791	5.7
510.48663	5.7
523.08441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29620	0.4
53.03942	1.6
55.01874	0.8
55.05500	1.4
57.03436	1.4
59.02200	0.4
59.88614	0.4
67.05503	1.0
69.03432	4.9
69.07067	1.1
71.04997	2.6
71.51992	0.8
79.05508	0.8
81.03423	5.3
81.07070	2.7
83.04984	1.7
85.02914	2.7
85.06558	0.7
91.05500	1.0
93.07048	1.4
95.04977	0.7
95.08624	1.6
97.02906	1.3
97.06537	1.0
98.64735	0.4
99.03851	0.8
99.04466	11.1
102.51310	0.4
103.03946	3.0
105.07027	1.7
107.08598	1.4
109.02893	4.5
109.06518	0.5
109.10151	1.4
117.05498	3.1
117.07069	0.5
118.06515	0.7
119.08605	0.9
121.02866	0.8
121.10151	1.5
124.07656	0.4
125.09684	0.6
127.03937	5.1
131.04893	0.4
131.08565	0.4
133.10132	0.7
135.11684	0.7
137.05983	2.5
137.09543	0.4
139.07530	0.5
145.07614	3.6
146.08389	1.1
147.08018	0.8
147.09183	12.7
147.11711	0.6
149.06021	0.7
149.09663	0.7
149.13278	0.5
151.03969	0.5
151.07619	0.6
159.09195	8.3
159.11696	0.6
160.09991	1.1
161.10770	0.9
163.07622	0.8
167.07051	1.1
173.07167	0.9
173.10782	0.9
175.08759	2.2
177.05461	0.6
184.09987	0.6
185.10783	2.4
187.08694	2.6
187.12321	0.5
189.10294	1.8
190.09749	1.0
191.08179	50.1
195.06470	0.5
197.10747	2.0
199.08720	0.8
199.12387	2.3
200.09515	0.8
201.10300	1.1
203.11913	0.8
213.10324	0.6
215.08133	0.7
215.11844	1.4
216.07724	6.4
217.09920	0.5
225.10303	0.9
227.11870	1.7
229.13388	0.7
233.09323	0.7
243.11276	1.1
245.09212	1.2
245.12946	4.0
253.09790	0.9
263.13943	5.6
266.53543	0.5
271.10840	3.3
289.11877	7.6
305.14984	1.7
306.14578	0.7
307.12912	27.6
324.15506	0.9
332.12448	0.7
343.10092	0.4
345.18115	2.6
349.13950	0.6
350.13504	1.9
371.16101	1.0
389.17099	7.6
391.15228	0.8
406.19751	1.2
415.15002	2.4
432.18103	2.1
433.16064	2.3
450.19043	2.3
451.17099	5.4
460.62494	0.5
467.16571	1.9
476.16785	1.0
493.31741	0.7
494.17743	100.0
495.18100	1.3
511.15799	15.4
511.22910	0.9
511.32431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01879	2.8
55.05518	17.5
57.03440	21.4
57.07073	2.8
63.57349	1.8
65.03938	4.2
67.05509	86.8
69.03424	9.9
69.07075	19.5
69.43374	2.7
69.43780	10.6
71.01357	22.2
71.04978	3.0
73.02917	20.9
75.04441	2.1
79.05495	54.3
81.03430	3.8
81.07062	100.0
82.87074	1.6
83.01314	2.0
83.04971	3.9
83.08620	9.2
85.02908	43.6
88.40617	2.3
91.04980	3.0
91.05488	37.0
91.76989	1.8
93.07047	62.0
93.07638	3.0
95.01329	8.0
95.04951	4.4
95.08611	70.9
97.02895	16.7
97.06512	3.7
97.10169	5.0
99.00815	5.2
99.04434	2.5
99.08092	2.7
101.02398	4.1
103.03924	5.3
104.20303	1.8
105.07037	26.8
107.08595	29.7
107.88252	1.7
109.06532	1.9
109.09466	2.7
109.10162	29.2
111.08086	3.4
113.02372	20.4
117.07030	9.4
119.08591	19.8
121.06564	3.0
121.10143	25.9
123.00768	2.8
123.11725	11.7
125.09573	1.8
129.07010	2.0
131.03406	9.1
131.08585	20.0
133.10135	15.9
135.11714	24.8
137.13243	5.1
141.01840	26.2
141.67648	2.2
143.08571	3.6
145.10112	20.2
147.11685	12.4
149.13246	14.1
150.93799	1.9
151.11188	2.0
157.10118	3.0
159.02875	5.9
159.06529	3.2
159.11705	11.4
161.13269	12.8
161.95097	1.7
163.14818	8.1
169.04941	4.6
169.06430	1.7
171.11662	2.6
173.13231	11.5
175.14771	4.3
185.13316	1.9
187.06020	2.1
187.14832	7.3
197.04439	4.9
215.05495	5.7
243.21089	9.9
259.20639	3.6
261.22156	42.1
279.23196	5.5
285.22144	4.2
303.23132	8.0
317.24777	2.3
333.24020	2.1
335.25836	41.8
354.47736	1.7
355.22519	2.2
377.26880	2.8
457.25439	2.4
475.27225	2.3
493.27887	7.1
511.28937	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	512.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03946	3.5
55.05518	4.1
57.03451	1.3
60.04521	3.0
61.02930	0.9
67.05498	3.2
69.03433	7.7
69.07069	3.5
70.06587	1.9
71.04996	2.0
71.51614	0.8
71.52036	1.0
73.02909	0.9
78.03465	9.5
79.05504	3.7
80.05022	2.0
81.03427	10.5
81.07074	6.6
82.06566	2.5
83.04989	3.5
83.08622	3.1
85.02902	5.7
85.06553	1.5
87.04473	0.9
91.05479	4.0
93.07068	5.7
95.04974	10.1
95.08611	3.7
96.04475	1.9
97.02883	4.5
97.06546	2.5
97.10178	0.8
99.04461	4.4
100.07625	7.2
105.07059	5.1
106.02228	1.9
106.02925	31.9
107.08593	9.1
109.02892	7.2
109.06528	5.3
109.10169	6.0
116.07090	1.0
117.06940	1.0
119.08588	4.0
121.10162	8.7
123.08073	2.0
123.11732	2.9
124.03967	100.0
127.03963	5.2
127.07568	0.9
131.08595	3.0
133.10136	10.9
135.08076	2.6
135.11679	1.9
137.09673	1.2
139.11185	1.8
140.03435	2.5
140.70619	0.8
145.10181	3.2
147.11711	3.4
149.13266	2.9
151.11203	3.2
153.09123	3.6
163.14853	1.9
165.12770	1.1
166.05084	0.9
167.14342	3.8
173.13300	9.3
177.05513	1.5
191.14330	8.6
209.15375	20.3
211.09735	1.8
227.05554	2.0
232.06128	2.2
250.07135	9.6
268.08185	61.2
286.09158	8.4
339.09811	1.5
350.29016	1.6
362.18716	1.1
371.12500	2.0
424.19907	2.6
476.22833	3.6
480.17017	0.9
494.24167	7.0
512.28351	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04492	0.9
51.97385	0.8
53.03938	3.1
55.01864	3.7
55.05518	11.1
57.03427	3.3
57.07074	1.1
59.05002	0.9
61.02920	2.2
64.74204	0.8
64.75150	0.8
64.75553	0.8
67.05515	5.2
68.99782	1.2
69.03433	14.0
69.07068	5.6
69.40867	1.3
69.41203	7.0
70.06596	1.4
71.01324	1.6
71.04998	5.0
73.02908	2.6
79.05503	4.5
81.03426	9.1
81.07058	14.0
83.04988	12.4
83.08627	10.3
85.02913	31.8
85.06544	2.7
87.00832	11.9
87.04458	1.3
91.05484	5.5
93.07050	10.0
93.96583	0.9
95.04969	17.0
95.08646	5.3
96.62638	0.8
97.02908	14.9
97.06523	4.1
97.10191	1.8
98.03289	0.8
98.20802	2.0
99.04467	8.1
99.08107	1.8
100.07647	1.1
105.01196	1.3
105.01872	16.2
105.07034	9.1
107.07873	1.3
107.08601	18.2
109.02900	11.5
109.05880	0.9
109.06526	25.6
109.10161	13.7
111.08073	3.8
115.03986	0.9
115.07577	2.0
117.01830	1.2
117.07017	1.2
119.08588	9.3
121.06480	1.2
121.10158	18.3
123.08072	3.9
123.11710	5.1
124.03906	1.4
125.09620	2.4
127.03930	23.0
127.51048	0.9
129.01859	1.4
131.08597	6.5
133.06444	1.2
133.10136	29.6
135.08084	4.3
135.11700	5.3
137.05954	1.1
137.09529	1.2
138.05479	0.9
139.11182	8.4
143.08534	1.3
145.04993	7.3
145.10123	6.0
147.02901	1.4
147.08061	3.4
147.11719	8.2
149.09666	1.9
149.13278	11.5
151.11208	10.9
153.09108	12.0
158.10896	2.5
159.02916	3.6
161.09604	1.6
163.11176	1.1
163.14807	3.4
165.09137	4.7
165.12753	1.0
167.07130	1.2
167.14342	12.9
173.13286	25.7
175.11118	1.0
175.14871	1.3
177.09145	0.9
181.08615	1.3
181.12166	1.1
189.03972	1.1
191.14325	36.9
209.15379	100.0
213.03990	2.6
227.16431	12.2
231.04974	5.1
247.88718	0.9
249.06111	2.4
267.12274	3.2
299.15958	1.2
302.77472	0.9
312.16196	1.1
318.13327	1.5
330.17416	1.2
335.18506	1.4
353.19601	1.0
421.18427	1.6
439.19742	1.6
457.20502	3.1
457.26462	1.0
510.16162	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87979	1.8
55.05509	4.7
57.03459	2.1
57.07080	64.9
59.04997	2.1
61.02924	2.0
63.13028	1.6
67.05509	12.5
69.07070	8.9
71.08641	48.5
71.25453	4.2
75.04466	4.0
81.07072	19.3
83.08618	14.0
85.02906	5.5
85.09697	1.7
85.10182	30.1
89.06034	4.8
95.08617	28.5
97.02898	4.1
97.10185	8.8
99.11712	2.1
104.10743	3.2
109.10160	12.3
123.11709	8.2
127.03953	2.5
133.08685	2.1
137.13286	2.8
151.14857	2.0
175.79617	1.8
184.07326	2.6
221.22661	2.7
239.23711	34.2
257.24707	5.2
300.45483	2.2
313.27368	100.0
331.28467	20.8
383.27954	2.9
401.29089	11.0
507.57132	2.0
510.37073	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05514	3.5
57.03448	4.0
58.94892	0.6
59.04990	0.9
61.02928	1.4
62.06095	0.6
63.77120	0.6
66.76723	0.6
67.05513	11.0
69.03452	4.5
69.07085	6.4
69.26431	2.5
69.26857	2.7
70.03764	1.1
71.01362	0.8
71.04991	2.7
73.02895	0.6
74.17754	0.5
79.05511	7.1
81.03421	1.3
81.07071	33.5
83.05003	3.8
83.08627	3.5
85.02916	8.8
85.06557	2.6
85.15744	0.5
86.03237	2.0
87.04475	1.3
91.05495	11.1
93.07066	6.0
95.04953	1.1
95.08631	6.7
97.02927	4.3
97.06554	3.2
97.10155	0.7
98.03229	0.9
98.20666	1.0
99.00852	1.1
99.04463	1.4
99.08092	1.9
101.06023	1.2
103.03969	1.1
105.07045	15.4
107.08615	6.1
109.06525	2.7
109.10156	0.8
111.04433	0.9
111.08085	0.8
113.02402	0.8
113.06049	1.0
119.08605	11.0
121.10173	10.3
123.08073	1.7
123.11729	15.3
127.03941	1.9
127.07581	2.0
129.07013	1.5
131.08585	0.8
133.10161	2.5
137.06085	0.7
137.13301	1.5
147.11714	36.4
157.10147	2.4
165.12790	15.6
165.14157	1.2
173.04462	0.7
175.11212	3.6
183.13863	2.0
193.12260	2.9
195.13902	0.7
229.14418	5.9
267.15955	49.6
268.16248	0.8
274.03735	0.6
284.06500	0.9
285.17010	100.0
286.17334	1.3
288.05844	0.9
289.06213	1.1
290.06427	1.2
298.04401	2.1
299.04636	2.5
300.04800	2.6
312.05798	0.7
313.06485	1.2
313.16431	0.7
314.07034	0.7
315.04657	3.5
316.05389	8.0
317.05637	9.7
318.05841	9.9
330.07193	1.2
331.07687	2.1
332.07968	1.8
333.08228	2.1
345.09702	6.1
346.10052	17.9
347.10315	15.8
348.10562	28.3
388.11243	1.2
389.11169	0.7
390.11584	1.9
425.18533	1.0
457.20886	6.3
475.21878	1.8
510.15863	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01870	4.3
61.02919	1.4
63.74546	1.1
65.03933	2.8
66.91370	1.2
67.05513	1.7
69.03429	2.5
69.46138	2.3
69.46567	6.4
70.06577	2.1
72.08144	1.0
72.29623	1.1
72.32810	1.1
73.02929	1.2
75.04485	2.4
79.05496	4.5
81.03413	1.7
81.07081	2.0
81.56419	1.3
85.02904	5.1
86.09698	1.6
91.05489	37.7
93.03403	9.7
93.07050	4.8
95.04964	3.6
97.02914	3.8
97.06530	3.0
98.21593	1.6
103.05481	11.3
105.03407	6.3
105.07037	7.0
106.02950	1.8
106.04182	15.2
107.04968	6.4
107.08652	2.0
109.02898	2.1
109.06535	9.0
115.05416	1.8
116.36142	1.1
117.03368	2.2
118.04209	2.2
119.04954	34.7
121.06519	22.1
121.10143	5.6
122.07310	1.4
123.04445	3.5
123.08076	5.8
124.03966	3.2
125.05997	4.3
127.07573	1.2
129.07054	1.9
130.69543	1.2
131.04921	10.1
132.05716	4.1
133.06505	6.8
134.03659	3.1
135.04405	1.4
137.06023	7.3
139.07523	2.1
144.05638	1.5
145.06519	1.3
147.04440	10.6
147.08087	4.7
148.05177	2.5
149.05994	32.7
151.03900	1.4
151.07550	19.7
153.09103	10.7
159.08051	4.9
160.05174	2.5
161.05995	28.6
161.09602	1.5
162.06734	6.5
163.03928	2.3
163.07576	4.6
165.05457	3.7
166.06274	1.7
167.07056	40.8
175.07541	12.0
177.05486	23.4
179.07047	19.0
180.07843	6.2
181.08624	16.4
181.12247	4.7
187.07547	12.8
190.06285	4.8
191.07045	19.0
192.07793	9.5
193.08682	2.1
198.64804	1.2
199.07449	1.7
199.13307	1.6
205.08620	39.1
209.08109	100.0
209.15404	3.3
210.08902	1.4
217.08672	1.6
221.09642	1.2
223.04277	7.6
227.16528	1.9
235.09663	13.2
268.08139	2.6
270.09747	1.3
284.11279	2.8
309.11322	2.1
311.09973	2.1
312.10501	3.8
321.11139	1.6
329.11221	3.0
330.11700	8.8
339.12393	4.8
341.13904	3.9
347.12296	9.4
348.12762	23.7
353.13998	1.9
359.14893	3.6
371.15018	5.7
510.19809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10907	0.4
56.48172	0.4
57.03429	0.8
62.97459	0.4
69.03456	2.0
69.68324	1.5
69.68737	0.9
73.02937	0.5
74.09510	0.4
82.06122	0.8
82.06590	8.9
82.99859	0.9
84.08136	1.5
85.02923	3.7
87.04476	0.5
97.02914	1.9
98.06067	0.4
98.97610	0.5
100.07634	32.6
101.00906	3.4
113.00867	0.8
115.03951	1.1
119.01955	2.6
126.89619	0.3
127.02440	0.6
127.03915	1.9
129.00313	0.5
131.01913	1.1
135.78033	0.4
139.02460	0.4
139.16158	0.3
143.01927	6.5
145.03471	2.1
145.04962	1.3
146.08241	0.5
153.03906	0.5
155.01921	4.7
157.03491	1.2
161.02979	3.2
164.05623	1.5
167.01904	3.8
168.05154	0.8
169.03467	1.0
173.02991	3.4
176.05962	0.6
179.01903	1.2
182.06677	4.1
185.02995	8.1
186.06165	1.1
187.04573	1.0
192.05467	0.5
194.06653	0.4
197.02971	3.5
203.04045	2.2
204.07268	2.3
209.03099	0.4
210.06183	2.7
214.05951	0.5
215.04080	2.4
222.06107	0.7
222.08240	0.9
227.04100	2.5
228.07211	100.0
229.07404	0.8
240.07231	9.8
240.09549	0.8
242.08736	0.5
245.02563	0.8
245.05121	22.3
246.08279	44.8
251.04448	1.4
257.05280	1.2
258.08261	9.1
260.09903	0.6
263.06177	2.1
264.09750	2.2
265.08441	0.4
265.58664	0.6
269.09949	1.3
270.08298	1.9
273.08350	2.4
275.06152	2.8
276.09344	1.6
277.07736	0.6
278.07913	0.6
282.08209	0.6
288.09332	24.3
293.07166	0.4
300.09274	0.9
305.07227	2.9
306.10397	0.8
318.10382	5.6
319.08954	0.5
330.10382	3.6
335.08136	0.5
347.04837	0.6
348.11536	4.2
350.09845	0.5
365.09567	2.2
369.09283	0.7
390.12448	0.8
412.93646	0.4
425.11292	0.4
481.69940	0.4
510.16196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01857	2.0
57.03416	0.8
67.05494	1.9
68.99786	0.8
69.03421	1.1
69.07076	5.2
69.58552	0.4
69.90766	1.0
69.91174	1.9
71.01336	0.5
76.42384	0.4
79.05508	6.4
80.19547	0.5
83.04960	0.8
84.02132	1.1
85.02914	0.5
92.70152	0.4
93.07056	0.5
94.92952	0.4
95.01360	0.4
95.04990	0.9
97.06546	33.5
98.20686	0.4
99.00809	2.0
107.08625	0.5
107.44610	0.4
109.10226	0.4
112.01595	2.3
127.00317	2.3
129.07016	0.7
137.02342	0.6
140.01064	0.5
141.06964	0.6
153.01840	0.6
153.07013	0.7
154.99782	0.6
165.07027	0.8
168.00565	28.9
168.05872	0.5
169.01321	1.6
169.05045	1.1
169.06543	0.9
171.08064	0.7
173.06013	0.9
175.07555	0.5
181.06554	0.9
182.02126	0.5
183.02917	100.0
185.00854	0.5
186.01620	14.4
187.07585	1.3
195.08087	0.8
197.06133	0.6
199.07559	1.5
201.03952	2.2
211.07565	1.1
212.08351	0.9
213.09192	1.1
223.07549	0.7
228.07878	0.6
229.08463	0.6
238.06010	0.5
239.07085	1.1
251.07310	0.6
255.06845	0.7
273.11362	1.1
279.06522	0.5
283.02350	0.9
283.05966	1.2
284.03381	0.5
287.05573	0.6
293.04459	0.5
294.05374	0.7
294.08551	0.6
295.06168	1.3
296.03415	1.1
296.06839	1.2
297.04034	0.9
297.11353	1.1
298.04776	4.0
301.03516	0.6
307.06079	1.5
308.06860	0.9
309.07736	0.7
309.14951	1.4
310.04788	0.7
311.05615	5.3
311.09097	0.7
312.02795	1.2
312.06375	1.2
315.05112	0.6
316.05597	0.5
319.06140	0.7
321.07571	0.7
322.04837	0.8
322.08429	1.7
323.05502	0.8
323.09122	0.6
324.06317	1.4
325.03503	1.1
325.07141	1.3
325.14575	0.5
326.04160	1.9
326.07922	6.7
327.05130	2.8
332.06769	0.8
333.07660	0.6
334.08444	1.1
335.05447	1.0
335.12909	2.2
336.06296	0.7
337.07120	2.7
337.10843	0.9
338.07822	0.9
339.05063	2.6
339.08588	1.0
340.05765	2.0
341.06656	0.9
349.07169	1.1
350.07962	1.4
351.05002	1.4
351.08716	1.4
352.05524	0.6
352.09521	0.8
353.06613	0.9
353.10178	0.6
353.13834	7.0
354.07379	1.8
355.08252	2.2
361.07190	0.8
362.08188	0.9
363.12265	0.7
365.06421	0.7
365.10416	3.8
367.11880	1.0
369.09717	1.9
375.08817	1.1
376.09470	0.8
377.10446	0.8
378.07196	0.7
379.08154	1.3
380.08887	0.8
391.11978	1.2
393.09726	2.8
394.10474	1.5
395.11319	2.7
406.10760	0.7
409.12875	2.0
411.10855	1.1
413.12500	4.7
419.11230	1.1
423.11023	0.8
424.11526	3.6
425.12173	0.7
433.13293	1.2
434.13773	0.7
435.14557	0.8
437.12177	10.5
447.14371	1.6
448.15063	0.7
450.13440	0.8
452.14743	4.2
453.15436	1.6
461.12137	0.7
463.17728	2.2
465.15628	6.5
473.16071	1.0
476.14838	1.1
480.14200	1.0
481.18845	1.1
491.17065	20.0
509.18167	86.7
510.18253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.05513	17.4
57.07074	6.2
67.05509	36.6
69.07072	26.1
71.21931	3.1
79.05500	26.1
81.03418	8.1
81.06591	3.6
81.07063	73.3
83.05000	4.1
83.08627	15.5
85.02901	6.2
87.86849	1.8
89.49197	1.9
91.04972	3.0
91.05492	32.5
93.07048	51.3
93.07642	2.8
95.04951	6.8
95.08615	100.0
97.06541	4.3
97.10170	8.6
103.05464	2.0
105.07043	70.2
107.04944	4.7
107.08602	89.1
109.02884	2.8
109.06545	4.8
109.10165	55.2
111.11715	2.6
117.07023	14.3
119.08592	69.7
120.68848	1.6
121.06474	3.1
121.10152	47.6
123.08041	3.0
123.11736	20.4
124.57050	1.5
125.05984	1.9
125.09611	2.0
128.06232	2.1
129.07021	4.9
131.08583	31.1
133.09135	2.5
133.10139	50.1
135.08034	3.0
135.11716	23.7
137.13246	9.6
142.07756	3.2
143.08562	11.0
144.09332	3.6
145.10130	53.6
146.95557	1.7
147.11714	29.9
149.13260	18.7
151.03989	1.9
151.14838	2.5
155.08612	3.0
157.10114	14.6
159.11713	65.0
161.09628	3.3
161.13272	28.3
162.45078	1.8
163.11243	2.8
163.14847	7.5
165.16377	2.3
169.10063	5.0
171.11674	10.5
172.12514	3.8
173.13284	25.2
175.11220	2.8
175.14838	14.6
177.16406	26.4
177.77950	1.6
179.10744	2.5
179.17978	2.9
182.10739	1.8
183.02861	5.2
183.11697	3.4
185.13225	11.0
187.14836	16.6
189.09264	2.0
189.16385	24.1
191.17967	34.9
193.12318	4.8
197.13284	7.8
199.14780	8.5
200.52475	1.6
201.16394	39.9
203.17976	36.6
205.19398	2.1
209.11678	2.8
211.13254	5.0
211.14972	4.1
213.16405	7.4
215.17975	58.7
217.19507	5.5
219.21233	1.9
225.16429	4.0
227.17934	5.1
229.19524	9.4
229.39751	1.8
231.21117	2.4
239.18069	2.4
241.19615	5.0
243.12404	2.1
243.21100	10.8
245.22617	2.0
253.19495	4.0
255.21063	6.8
267.21237	4.9
269.22742	5.8
281.22519	2.9
291.15778	2.5
293.28418	4.9
295.24268	2.3
297.25766	5.8
305.17499	2.4
311.29440	2.6
313.06851	3.4
319.18985	5.4
357.20648	3.2
359.22113	6.3
363.30750	2.8
371.22269	5.1
373.23718	4.2
399.96655	2.0
405.35150	22.7
465.37180	6.3
467.31503	2.3
501.11679	1.9
509.18738	3.2
509.27515	15.3
509.36188	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.181
Annotation	Chrysomycin A
Peak:m/z	Relative Intensity
50.87794	0.5
55.01852	2.1
55.05501	0.5
56.02641	0.6
57.03425	0.8
66.09116	0.5
66.42213	0.4
67.00835	0.5
67.05489	1.6
67.71951	0.5
68.99789	1.2
69.03413	0.6
69.07082	4.3
70.21543	1.1
70.21896	1.2
71.01349	0.6
79.05505	6.4
81.03412	0.6
81.07047	0.7
83.04963	1.2
84.02086	0.9
91.05481	0.7
93.06973	0.6
95.04985	0.9
97.06537	32.7
99.00835	3.5
105.07111	0.5
112.01572	3.4
127.00287	3.1
140.01016	0.7
152.06216	0.6
153.01814	0.6
153.06964	0.8
154.02615	0.7
154.99727	0.6
155.08667	0.6
159.08000	0.6
165.06979	0.7
168.00554	28.0
169.01297	1.2
169.04973	0.9
173.06021	0.9
175.07597	0.7
181.06433	1.0
183.02899	100.0
185.00789	0.7
186.01614	14.5
187.07512	1.1
195.08020	0.8
197.04401	0.5
199.07549	1.2
201.03879	2.5
201.05589	0.6
211.07564	1.6
212.08368	0.6
213.09100	1.5
225.08986	0.7
239.07208	1.2
241.08778	0.8
242.27583	0.5
244.03532	0.5
256.03641	0.7
257.08130	1.4
264.57513	0.7
273.11475	0.5
282.05292	0.8
283.02539	1.6
283.06091	1.4
284.03152	0.8
293.04672	0.7
293.08142	0.6
294.05228	0.9
294.08698	0.7
295.06049	0.9
296.03183	1.5
296.06784	0.9
297.03897	0.8
297.11337	1.6
298.04791	4.9
298.08026	0.9
307.06158	0.6
309.07462	1.0
309.14929	1.7
311.05548	5.5
311.09006	0.7
312.02924	0.7
312.06448	1.4
313.07007	1.1
315.04895	0.9
316.05859	0.9
321.04041	0.8
321.07697	1.3
322.04739	1.0
322.08401	1.9
323.05539	0.8
324.06271	1.3
325.03571	0.7
325.07071	1.3
326.04276	1.5
326.07861	6.8
327.04980	3.0
327.08487	0.7
333.07611	1.2
334.08228	1.3
335.09222	0.7
335.12766	2.5
336.06296	1.2
337.07037	3.5
337.10663	1.1
339.04962	2.3
339.08618	0.9
340.05902	0.9
347.09137	1.0
349.06964	0.7
349.10892	1.1
350.03934	0.6
350.08090	1.7
351.04843	1.5
351.08826	1.4
352.09506	1.1
353.06552	1.2
353.10257	0.4
353.13858	7.1
354.07297	2.6
355.08209	1.7
358.16693	0.9
361.07001	0.7
362.07941	1.3
365.06390	0.7
365.10458	3.5
367.08026	1.1
368.09113	0.6
369.09787	2.1
376.09558	0.7
377.06567	0.6
377.10507	1.0
379.08148	1.3
391.11911	1.1
393.09442	2.4
394.10489	1.1
395.11237	2.3
400.51712	0.6
409.12653	1.4
411.10568	1.2
412.11862	0.7
413.12418	4.8
419.10898	0.8
421.12836	1.0
423.10748	1.0
424.11478	3.8
433.13034	0.6
435.14139	0.7
437.12115	12.1
447.14371	2.0
448.15198	1.0
450.13055	1.4
452.14682	5.1
453.15436	2.2
461.11926	0.8
463.17532	3.7
465.15369	8.1
473.16003	0.7
480.14230	1.1
481.18732	1.1
491.17050	21.8
509.18118	91.3
510.18433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
54.29327	2.6
55.01889	6.0
55.05513	29.2
57.03432	4.2
57.07079	10.9
61.02906	2.8
63.82347	3.9
65.03932	4.4
67.05513	44.3
69.03441	12.1
69.07069	50.6
70.04076	8.2
71.01367	5.1
71.04989	10.2
71.08615	4.3
71.52094	3.9
79.05505	26.2
81.03435	26.3
81.07063	100.0
83.04983	11.1
83.08632	41.3
85.02914	29.0
85.06554	8.4
91.05492	33.7
93.07041	33.1
95.04985	16.8
95.08613	87.1
95.59431	3.0
97.02880	9.2
97.06548	23.5
97.10181	20.8
99.04452	3.9
99.08092	9.7
105.07034	21.9
107.04958	12.6
107.08617	30.7
109.02903	5.3
109.06517	10.6
109.09471	4.8
109.10163	54.9
111.04453	5.7
111.08095	7.2
111.11723	19.1
113.09719	5.3
117.07010	5.0
117.78477	2.8
119.05002	5.5
119.08583	16.6
120.13655	3.0
121.06517	9.3
121.10158	22.9
123.04419	3.6
123.08091	8.7
123.11713	38.8
125.09651	7.2
125.13245	15.1
127.03916	13.5
129.06987	4.4
131.08557	8.0
133.06522	6.1
133.10153	14.1
135.08052	5.5
135.11685	13.3
137.05986	24.4
137.09599	6.8
137.13264	24.5
139.11220	5.9
139.14828	4.0
143.08578	6.1
145.02820	5.1
145.05008	4.9
145.06468	4.3
145.10159	8.0
147.04410	5.2
147.07962	3.9
147.11711	11.1
149.09644	5.9
149.13281	14.0
151.03951	3.3
151.07588	4.2
151.14830	9.8
153.12735	4.7
157.10135	9.2
159.11739	4.6
161.05957	3.2
161.09602	4.0
161.13231	4.2
163.04027	3.7
163.06050	4.1
163.11203	6.8
163.14839	9.3
165.09203	5.3
165.16374	9.2
167.07043	5.0
167.14236	5.2
168.00577	6.6
169.15916	4.5
173.66338	3.1
175.11171	5.5
177.05493	7.9
177.09087	3.8
179.17892	3.5
183.02939	8.5
187.11163	4.9
193.12282	16.7
193.19476	4.3
205.19547	4.0
207.21144	4.3
211.13284	18.5
215.10768	4.2
267.15875	3.9
271.06042	11.9
275.27368	9.2
286.04776	11.2
293.28421	35.7
297.03995	4.8
299.05518	26.1
299.14899	4.7
301.07193	4.5
311.29456	8.3
315.05069	3.2
317.05444	4.1
325.03500	7.8
325.07120	4.4
329.06494	5.1
339.05167	4.0
340.05676	31.3
345.09763	5.7
346.10043	4.4
347.10541	7.2
355.08173	62.4
389.22263	3.5
455.27975	3.4
465.11526	3.8
479.13531	7.5
491.26474	3.7
509.14465	35.9
509.27377	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
57.05812	0.4
57.07066	1.1
58.06599	3.6
63.88382	0.4
67.05506	0.9
67.19854	0.4
69.07067	0.6
69.69467	0.7
69.69875	1.7
71.08645	0.9
77.44589	0.3
79.05469	0.4
81.07045	0.7
82.06583	2.6
83.07365	10.0
85.10179	0.4
88.07618	2.2
91.05495	0.4
93.07054	0.6
95.01830	0.4
95.08627	0.7
96.08121	0.6
98.09698	80.7
104.10735	1.2
105.07063	0.4
107.08591	0.4
109.10168	0.6
114.01826	0.3
116.10738	100.0
117.11051	0.5
123.11723	0.5
135.11703	0.3
151.28967	0.3
184.07315	1.1
196.07352	51.3
313.27451	1.4
336.95450	0.4
407.84619	0.3
490.33029	5.7
508.33987	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04377	0.4
68.88684	0.4
71.27741	0.6
98.97591	0.5
101.00819	1.8
119.01946	3.0
158.99847	1.2
162.64104	0.4
176.99355	0.7
177.00943	8.5
182.99933	0.8
189.78542	0.4
199.03021	0.4
201.00966	2.7
216.98907	0.8
217.04097	2.5
219.02022	20.1
220.02048	0.5
225.00856	3.4
235.00108	1.1
236.00014	0.7
236.99860	0.5
240.98880	1.3
241.99030	1.0
243.02013	15.4
258.99997	4.9
260.00156	5.3
261.03079	100.0
262.03119	2.7
263.02988	1.0
264.98941	0.7
276.98221	0.7
277.01068	2.8
278.01208	1.9
279.00897	1.1
282.97476	0.3
282.99982	14.4
284.00116	16.8
284.04547	1.3
284.99878	4.2
300.98138	0.5
301.01077	10.3
301.04294	0.9
302.01196	14.0
303.00861	4.4
304.01065	0.7
343.02335	0.5
360.99887	1.2
367.02301	3.1
384.00174	1.0
385.03214	27.0
386.03598	1.0
401.01636	1.2
402.01431	1.7
403.04648	18.8
407.00256	0.7
408.00531	1.3
408.05215	0.7
425.01279	3.0
426.01254	12.0
427.01166	1.6
443.02420	5.3
444.02380	21.8
445.01849	2.5
446.49911	0.8
446.99667	1.3
455.50537	0.6
467.03152	0.7
468.02536	0.9
478.99261	0.7
487.98807	0.8
499.50156	1.5
499.99921	1.7
508.49957	1.3
509.03415	17.1
510.03467	1.0
517.50726	0.6
527.01160	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	508.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01855	0.5
55.05516	0.6
57.03441	0.7
61.02939	0.5
65.03938	2.9
67.05496	1.3
69.03437	2.6
69.07072	0.6
69.34416	1.5
69.34840	2.8
70.06602	0.8
70.88511	0.5
72.08135	1.4
73.02927	0.6
79.05501	6.9
80.05015	1.1
81.03422	5.0
81.05798	2.5
81.07057	0.7
82.06563	1.2
83.04977	1.5
85.02917	3.7
87.00808	0.6
89.03934	5.1
91.05509	1.1
92.05019	6.6
94.06567	0.7
95.04966	2.0
95.08609	1.3
96.04458	0.6
96.08138	7.5
97.02882	1.9
99.04462	1.1
105.01867	1.0
106.06564	43.8
107.08588	1.6
108.08134	9.7
109.02875	2.3
109.05264	1.6
109.06497	0.7
109.10171	0.6
110.06049	0.5
111.08046	0.6
117.03388	18.1
119.08581	0.8
121.06516	0.7
121.10140	1.7
122.06030	1.7
122.68701	0.5
123.06822	6.0
124.07603	30.6
127.03889	2.8
130.06551	0.8
134.03673	0.9
134.06026	26.8
135.04401	0.7
136.07573	2.2
137.05981	1.6
140.07062	0.7
145.02856	55.6
146.08073	0.6
148.07579	0.6
149.06006	6.4
149.09631	0.9
150.05545	0.6
151.03947	1.7
152.07077	71.6
162.09032	0.5
163.03911	0.6
163.07538	0.8
167.07069	0.7
170.06598	0.7
170.08138	48.7
177.05482	100.0
177.16406	2.0
178.16710	1.7
186.05496	2.7
189.12798	0.6
195.06543	0.6
196.17865	0.6
207.06483	0.9
207.13797	1.3
213.18542	0.7
222.09209	1.1
225.14876	2.7
236.05493	0.6
240.10358	0.7
243.15985	0.7
250.08707	0.9
267.08853	1.5
269.10764	0.7
282.11279	2.4
283.11758	1.1
295.08237	0.8
310.10873	3.0
314.12384	1.6
321.09772	3.6
325.16827	0.6
328.11877	2.3
332.13419	10.0
339.10797	3.2
346.13058	0.8
347.07791	0.5
419.91519	0.5
448.12338	0.5
490.17078	22.7
504.11920	0.6
508.18164	60.0
509.16885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.79108	1.3
53.03935	2.1
55.01847	2.6
55.05275	1.6
55.05519	26.3
57.03442	9.1
57.07084	9.8
59.04994	4.6
61.92175	1.2
65.03934	2.7
67.05514	100.0
69.03426	2.4
69.07076	17.2
71.04997	4.8
71.08624	4.3
74.38448	1.3
79.05501	26.3
81.03419	2.6
81.07068	65.4
83.05003	3.8
83.08629	13.5
85.06534	3.7
85.10191	2.8
87.04438	1.6
91.05492	19.0
93.07061	35.3
95.04983	2.6
95.08617	46.5
97.06490	2.5
97.10175	15.3
98.20780	3.1
99.08053	2.3
102.77641	1.5
105.07045	12.0
107.08604	27.7
109.10171	63.3
111.08096	3.8
117.07020	5.9
119.08600	17.9
121.10164	17.9
123.11703	6.3
125.09652	9.9
127.11242	1.4
131.08588	13.7
133.10120	13.1
135.08041	2.4
135.11674	13.1
137.09645	2.6
137.13268	3.7
137.85236	1.2
143.08580	2.4
145.10138	10.2
147.11714	9.0
149.09637	2.0
149.13312	8.3
155.10663	3.4
157.10110	2.0
159.11725	7.0
161.13258	5.1
163.11224	1.9
163.14809	4.0
171.11742	3.2
173.11736	13.5
173.13266	6.5
175.14810	2.0
177.16357	1.4
185.13225	3.0
187.14780	2.3
189.11229	7.3
199.14952	2.0
201.16368	2.1
227.12825	11.0
229.14360	37.3
231.15988	1.4
232.22333	1.4
241.19595	1.7
243.21120	4.8
247.23990	1.3
258.31931	1.3
261.22137	22.6
263.23743	2.2
277.21530	2.0
279.23398	1.7
285.21970	2.3
310.62170	1.4
313.27548	1.4
317.24747	3.7
335.25848	22.7
379.29926	5.0
397.30994	6.7
397.35831	1.5
415.31976	8.7
433.33054	5.8
449.32919	2.1
471.34677	5.7
489.35825	48.6
507.27045	6.9
507.36862	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	507.1502
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
55.05508	1.6
67.05513	2.2
69.07059	2.9
70.91104	2.3
81.07070	6.5
83.57541	1.1
85.02923	1.9
85.06584	1.1
93.07072	2.8
95.08613	6.1
97.06545	1.2
97.10178	1.4
105.07000	1.1
107.08614	2.4
108.85355	1.2
109.10145	4.9
111.11726	1.2
113.27933	1.1
119.08623	1.2
121.10130	1.5
123.11726	2.8
133.10133	1.2
135.11739	2.2
149.13287	2.0
163.14923	1.2
169.01303	1.7
256.07727	1.0
269.04523	3.8
272.03192	4.1
283.06085	2.9
287.05569	6.8
291.26797	1.1
297.03946	17.4
300.02631	1.4
309.27936	2.1
311.05493	1.4
312.06329	5.0
315.05011	54.7
330.07330	12.0
345.09717	100.0
346.77036	1.1
412.56699	1.1
452.67538	1.0
463.20096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01869	1.7
55.05515	16.4
57.03427	2.3
57.07078	7.3
57.60019	1.4
58.92560	1.7
59.04993	1.9
65.03938	2.0
67.05182	2.8
67.05509	35.3
69.03427	3.5
69.06729	2.2
69.07076	34.9
71.04985	2.9
71.08630	3.1
71.52563	2.4
73.59019	1.6
79.05503	18.5
81.03419	2.0
81.07065	100.0
83.04974	2.0
83.08627	20.1
85.02921	7.6
85.06546	19.2
91.05466	6.4
93.06502	2.0
93.07055	39.8
95.08614	88.4
97.02906	2.0
97.06524	3.1
97.10185	13.4
99.08105	12.8
105.07022	9.7
107.08601	38.1
109.10160	60.0
111.08076	4.8
111.11742	7.0
113.09631	4.1
119.08602	8.8
121.10159	29.5
121.46583	1.5
123.08067	4.1
123.11717	42.0
125.09641	3.3
125.13247	3.2
127.11161	2.6
133.10165	7.9
135.11697	27.3
137.13260	13.8
139.11166	2.9
145.10098	2.1
147.11662	6.8
149.13271	40.3
151.14792	5.8
153.12732	4.8
161.13275	3.8
163.14838	17.9
165.16310	2.2
167.14310	3.2
171.13817	4.6
175.14949	3.0
177.16383	8.3
179.17975	1.9
181.15825	2.3
185.15294	3.6
189.16408	4.1
191.17938	5.8
195.17477	4.3
199.16885	2.9
203.17979	4.7
209.18997	2.3
213.18459	2.5
217.19600	3.8
221.18974	3.5
235.20529	2.5
247.24164	2.0
261.25717	4.1
265.25137	4.0
273.25836	9.0
279.26923	9.2
291.26819	44.1
297.27911	5.4
309.27927	48.2
315.04929	2.9
327.28973	26.0
345.09787	9.6
345.30133	4.3
444.18640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01880	1.5
55.05513	14.0
56.96532	0.9
57.03426	3.3
57.07081	6.7
57.17836	0.8
65.03921	1.0
67.05511	27.5
67.05836	1.0
69.03442	5.2
69.07072	29.0
71.04977	2.7
71.08623	2.8
71.52002	1.2
73.02906	1.5
79.05498	17.7
81.03407	3.4
81.07063	100.0
83.04971	1.2
83.08623	14.8
85.02438	1.7
85.02913	21.7
85.06546	24.8
86.09689	1.0
87.49627	0.9
91.05490	5.9
92.57612	1.0
93.07054	28.6
95.04982	1.5
95.08615	75.9
97.02906	8.7
97.06552	3.0
97.10188	13.5
99.04485	1.0
99.08101	25.7
101.82376	1.0
105.07043	10.1
106.16626	0.8
107.07878	1.9
107.08601	36.8
109.02876	2.6
109.06509	2.0
109.10166	57.2
111.08114	4.5
111.11726	6.9
113.09639	7.1
117.07024	1.1
119.08585	11.8
121.02895	1.7
121.10146	27.6
123.08077	1.2
123.11713	33.3
125.09644	3.1
125.13211	1.7
127.03880	4.7
127.11237	5.0
129.07002	1.1
129.12753	2.0
131.08597	1.7
133.10117	9.1
135.08095	1.3
135.11700	25.0
137.06007	3.0
137.13277	11.5
139.11182	3.4
141.12753	1.1
145.04922	2.8
145.10158	2.1
147.11694	6.6
149.13268	42.5
151.14856	5.1
153.12746	3.0
155.14322	1.5
159.11610	1.2
161.13272	7.6
163.14836	30.8
165.16386	3.4
167.14325	4.1
175.14899	4.5
177.05521	1.6
177.16405	15.6
179.17969	2.3
181.15865	3.3
183.17476	1.3
187.14809	1.0
189.16394	5.0
191.17967	7.5
193.19551	1.4
195.17424	5.0
195.47705	0.9
197.18994	3.3
203.17987	6.9
205.19521	3.8
207.17567	1.2
209.19054	4.4
211.20534	2.7
217.19556	11.1
219.21069	2.1
221.19017	2.5
223.20592	1.1
231.21072	2.2
233.22563	1.4
235.20493	6.0
247.24284	3.1
261.25888	1.9
265.25302	5.0
273.25803	20.3
279.26871	4.0
291.26834	56.3
301.07181	2.2
309.27872	22.2
315.04926	2.8
317.06644	1.2
327.28983	5.9
331.17639	1.0
345.09689	3.5
399.28745	1.8
417.29892	1.4
431.97037	1.0
507.15732	1.2
507.24106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.12381	0.1
50.55198	0.1
53.03953	0.6
55.01837	0.5
57.03437	1.7
61.02932	2.0
63.75031	0.1
69.03435	6.3
69.03796	0.2
69.07070	0.1
70.76038	0.2
70.76374	0.2
71.01317	0.4
71.04960	0.5
73.02929	1.3
78.90093	0.1
81.03422	1.9
81.07038	0.2
83.01328	0.2
83.67737	0.1
85.02910	11.8
87.04478	1.1
88.20815	0.1
91.03929	0.3
93.07034	0.2
95.08598	0.2
97.02307	0.2
97.02895	3.2
99.04471	0.9
101.02322	0.3
103.03900	0.5
109.02885	1.2
115.03885	0.2
118.04147	0.3
119.04897	0.4
119.08531	0.1
121.02865	0.4
121.10140	0.1
127.03000	0.2
127.03926	2.4
131.08516	0.1
137.02295	0.1
145.04999	0.8
145.10085	0.1
166.02649	0.2
169.01308	0.8
171.95782	0.1
197.00819	0.3
213.05403	0.2
215.03224	0.1
241.04944	0.4
244.03743	0.3
246.29137	0.1
253.04820	0.2
255.06503	0.2
257.04489	0.4
266.05759	0.3
267.06577	0.3
269.04471	2.4
270.05063	0.1
272.03165	3.0
282.05386	0.2
283.06021	2.3
284.06863	1.0
285.03961	0.6
285.07385	0.2
286.04776	0.2
287.05515	5.7
290.67633	0.1
294.05008	0.2
295.06036	0.4
297.03949	13.2
298.04633	0.1
299.05612	0.8
300.02789	0.7
300.05789	0.2
301.07043	0.3
310.04788	0.4
311.05460	1.8
312.06284	3.7
313.03397	0.5
313.07034	0.3
315.04993	46.6
316.05331	0.2
317.10181	0.4
321.03915	0.2
325.07065	0.2
327.08505	0.2
328.05725	0.4
329.06561	0.7
330.07346	10.5
339.05099	1.1
341.06641	0.2
343.04257	0.2
343.08157	1.9
345.09695	100.0
346.10092	0.8
354.07394	0.2
357.06042	1.1
363.05276	0.2
369.05957	0.1
369.09891	0.7
372.08191	0.2
373.09134	0.3
381.06265	0.1
387.05801	0.2
387.10782	4.9
399.10971	0.3
411.10608	0.8
441.11661	0.2
471.12732	0.2
489.14090	0.2
507.15030	20.2
526.65747	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	507.3688
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03946	3.3
55.05515	22.9
57.03435	9.0
57.07087	14.4
58.07390	1.8
59.05003	4.4
65.03954	3.1
67.05512	100.0
68.05859	2.7
69.07075	16.4
69.25809	16.4
70.74845	2.0
71.04997	4.0
71.08635	9.0
79.05502	33.3
81.03419	9.9
81.06589	3.9
81.07066	70.1
81.33860	1.7
82.03746	2.6
83.05003	2.6
83.08623	17.5
85.06572	3.4
85.10201	4.5
89.06056	2.1
91.05491	26.3
93.07053	38.4
95.04957	4.0
95.08620	40.3
97.06554	3.2
97.10200	15.0
98.20787	4.1
99.08105	3.1
101.30184	1.8
105.04610	1.7
105.07040	19.4
107.08614	27.3
109.06533	1.9
109.10168	55.1
110.10455	2.2
111.08099	3.8
117.07014	5.1
119.08582	18.5
121.10161	18.8
123.11706	8.8
125.09608	11.5
129.07004	2.0
131.08589	10.7
133.10159	12.6
135.08093	1.8
135.11713	15.1
137.09668	3.1
137.13274	3.1
143.08580	3.2
145.10115	11.4
147.11696	10.6
149.13322	12.5
155.10703	2.9
157.10173	2.6
159.11705	6.8
161.13234	5.4
163.14798	3.7
171.11711	4.1
173.11758	14.0
173.13272	7.2
175.11128	1.9
185.13243	3.6
187.14845	4.2
189.11273	8.1
193.12288	3.8
194.12704	3.0
195.13969	1.8
227.12802	9.9
229.14359	33.7
231.15784	2.3
239.23724	1.9
243.21042	4.7
261.22159	26.2
317.24881	2.5
333.24493	2.0
335.25830	27.3
379.29877	3.3
397.31097	5.4
415.32190	9.5
433.33362	3.2
471.34668	5.1
489.35840	48.6
507.28369	3.2
507.37314	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01862	1.6
55.05277	1.1
55.05521	14.6
57.03428	3.3
57.07088	6.6
61.02913	3.5
65.03960	1.1
67.05183	1.8
67.05513	26.8
69.03442	6.8
69.07077	29.0
69.94101	5.3
71.04978	2.2
71.08639	2.3
79.05499	13.8
81.03431	3.8
81.07068	100.0
83.04984	1.2
83.08631	13.1
85.02914	21.9
85.06082	1.9
85.06554	24.0
85.10224	1.1
91.05499	7.1
91.63075	1.0
93.06489	1.7
93.07057	28.1
95.04948	1.3
95.08620	85.9
97.02924	7.5
97.06512	2.0
97.10175	9.1
98.21455	1.3
99.04447	2.4
99.07498	1.9
99.08106	26.3
105.07051	9.6
107.07876	2.0
107.08607	37.0
109.02869	3.0
109.06515	1.7
109.10169	61.2
111.08070	5.2
111.11742	7.9
113.09637	7.4
119.08609	10.0
121.02882	1.6
121.10159	32.6
123.11727	32.9
125.09622	4.9
125.13300	2.5
127.03945	5.2
127.11244	5.6
129.12793	1.5
131.08612	1.7
133.10144	8.7
134.10573	1.0
135.11717	21.1
137.13284	15.5
139.11189	3.0
141.12744	1.4
143.08638	1.6
145.04953	4.3
145.10132	2.3
147.11710	7.3
149.13277	37.9
151.14861	6.5
153.12750	2.6
155.14265	2.4
161.13304	6.8
163.14838	29.2
165.12729	1.3
165.16385	3.8
167.14304	3.5
173.13158	1.7
175.14774	5.9
176.15221	1.2
177.16380	14.7
181.15878	3.8
189.16402	4.1
191.17989	8.1
193.19514	2.1
195.17459	4.0
197.19022	3.7
203.17970	6.9
205.19504	2.6
209.19052	3.5
211.20628	3.6
217.19521	8.6
221.18916	1.3
223.20729	1.4
231.21057	2.1
233.22546	2.6
235.20607	5.7
247.24274	3.3
255.45326	1.1
261.25848	2.9
265.25253	4.6
273.25775	21.2
279.26831	5.3
291.26862	58.3
292.53299	1.3
300.93494	1.3
301.07092	1.6
309.27927	25.3
315.04965	3.7
317.06418	1.4
327.28983	6.4
345.09686	6.8
417.29752	1.4
507.14786	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
54.56824	1.1
55.05516	18.7
57.03426	1.8
57.07074	10.1
59.04996	1.5
61.02914	1.4
65.03924	1.6
65.16457	1.1
66.74919	0.9
67.05512	35.5
68.55779	1.3
69.03429	4.8
69.07075	34.0
69.34577	9.2
71.05008	1.9
71.08619	2.2
79.05079	1.4
79.05499	21.2
81.03416	3.0
81.07063	100.0
82.07368	1.3
83.04982	2.5
83.08620	18.9
85.02917	13.8
85.06551	38.5
91.05487	11.0
93.07050	38.3
93.07639	1.8
95.04958	1.6
95.08614	81.6
97.02883	4.3
97.06520	4.9
97.10187	12.5
98.21582	2.2
99.08097	24.3
105.07040	13.3
107.08606	36.8
109.06492	2.7
109.10166	60.0
111.08089	6.9
111.11718	6.6
113.09657	4.7
117.07133	1.4
119.08595	13.7
121.10151	32.6
123.08068	1.9
123.11709	32.0
125.09620	4.3
125.13278	2.6
127.03947	3.0
127.11209	3.1
131.08525	1.8
133.10165	9.1
135.11697	26.1
137.05998	2.2
137.13271	13.9
139.11195	5.0
145.04906	1.6
147.04445	2.3
147.11697	7.4
149.09596	1.3
149.13271	38.4
151.11136	1.9
151.14839	5.5
153.12721	3.3
161.13272	4.4
163.03946	1.2
163.14828	19.8
165.16403	4.5
167.14302	3.0
175.14804	3.0
177.05452	1.4
177.16414	15.4
178.16742	1.9
179.17996	1.8
181.15756	1.4
189.16417	3.5
191.17946	5.2
194.47997	1.1
195.17468	7.1
203.17979	3.5
205.19518	2.0
209.19003	2.1
213.18510	17.4
217.19516	6.5
221.18996	1.9
235.20538	3.2
261.25729	3.9
265.25070	1.3
273.25757	11.4
279.26843	15.7
291.26843	46.3
293.05136	1.3
297.27847	8.2
309.27902	38.0
315.05014	1.9
327.28937	23.8
345.09732	7.9
345.13370	1.2
345.29968	4.0
471.40048	1.1
508.33978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01857	0.5
55.05509	0.3
56.02046	0.2
57.03443	1.0
61.02944	0.3
68.99783	0.4
69.03431	4.5
70.06586	0.4
70.59311	0.5
72.08130	0.3
73.02924	0.6
78.81513	0.2
81.03421	2.3
82.06557	0.3
82.29127	0.2
85.02903	5.6
87.00839	2.1
87.04470	1.3
95.09199	0.2
97.02888	3.4
98.03202	0.2
98.23768	0.2
99.04451	0.9
100.07612	1.5
102.36108	0.3
105.01854	1.6
109.02888	2.5
114.83479	0.2
115.03950	1.5
119.08517	0.2
127.03918	100.0
128.04245	0.4
129.01869	0.3
133.04964	1.2
145.02809	0.3
145.04967	1.3
147.04442	0.3
156.17432	0.3
159.02936	1.3
163.03932	0.6
177.05522	0.5
183.02950	0.5
201.04071	0.4
205.34908	0.2
213.11218	0.9
219.82362	0.2
231.04936	1.0
238.21956	0.2
259.16611	0.9
272.19357	0.2
277.56342	0.3
375.04706	0.4
375.09238	4.7
507.16101	1.4
507.22946	0.3
515.86047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.15
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
53.03914	0.6
55.01860	0.4
55.92634	0.2
57.03440	1.6
61.02929	1.9
67.05441	0.3
69.03436	5.7
69.07057	0.3
71.01329	0.2
71.04949	0.6
71.52528	0.2
72.08102	0.3
73.02922	1.2
79.05466	0.3
81.03415	1.8
81.07036	0.3
83.04897	0.2
85.02911	11.7
87.04472	1.1
91.03916	0.4
93.07025	0.3
95.08552	0.2
97.02902	3.4
99.04406	0.8
101.02314	0.5
103.03925	0.5
107.04908	0.2
107.08536	0.3
109.02886	1.4
115.03959	0.2
119.04922	0.5
121.02854	0.5
121.10106	0.2
127.03926	2.1
131.04884	0.2
133.10088	0.3
137.05930	0.8
145.02844	0.3
145.04886	0.8
148.56001	0.2
169.01295	0.6
177.05518	1.5
178.05789	0.9
181.88918	0.2
184.03583	0.2
197.00810	0.3
238.06178	0.3
241.04948	0.3
257.04428	0.4
266.05698	0.3
267.06613	0.2
269.04446	2.2
272.03217	2.6
282.05280	0.3
283.06088	2.0
284.06689	1.3
285.03876	0.5
286.04794	0.3
287.05527	5.6
297.03958	13.0
298.04871	0.3
299.05460	0.8
300.02643	0.7
301.07150	0.4
310.04669	0.4
311.05533	1.7
312.06302	3.5
313.03433	0.6
313.07147	0.5
315.05002	45.6
316.05411	0.2
321.04257	0.2
329.06583	0.7
330.07358	10.7
339.04919	1.1
343.08154	2.1
345.09708	100.0
346.10114	1.2
357.06110	1.2
369.09692	0.7
381.05939	0.4
387.10751	5.0
399.10959	0.3
411.10953	0.5
447.21539	0.3
507.15048	19.7
507.23517	1.0
508.15433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
53.03941	0.6
55.01831	0.4
57.03440	1.7
59.04979	0.2
61.02926	1.9
69.03433	6.2
69.03778	0.2
70.66447	0.2
70.66789	0.2
71.01320	0.3
71.05001	0.6
73.02919	1.5
81.03429	2.0
83.01331	0.3
84.19009	0.1
85.02910	11.8
87.04494	1.0
91.03907	0.3
92.74603	0.1
97.02901	3.3
97.72811	0.1
98.58485	0.1
99.04448	0.9
101.02325	0.5
103.03899	0.3
104.37527	0.1
109.02888	1.4
115.03896	0.3
118.04144	0.3
119.04917	0.2
121.02799	0.3
125.02328	0.1
127.03925	2.2
132.05698	0.1
145.04974	0.8
147.04417	0.1
153.01736	0.1
157.15810	0.1
159.04517	0.1
162.09010	0.1
166.02609	0.2
169.01309	0.7
185.05977	0.1
188.04588	0.2
195.02707	0.1
197.00812	0.2
197.04379	0.1
199.07416	0.1
200.04675	0.2
207.82126	0.1
226.06126	0.2
230.41284	0.1
237.05478	0.2
241.04897	0.3
254.05708	0.2
257.04504	0.4
266.05682	0.4
267.06409	0.2
269.04504	2.2
271.06073	0.2
272.03146	2.6
282.05255	0.3
283.06024	2.0
284.06741	1.0
285.03946	0.5
285.07510	0.2
286.04788	0.2
287.05518	5.0
294.05228	0.3
295.06061	0.2
297.03949	12.1
298.04605	0.2
299.05405	0.7
300.02805	0.6
301.07095	0.4
310.04700	0.5
311.05557	1.3
312.06305	3.1
313.03458	0.5
313.06937	0.4
315.04987	43.2
316.05185	0.2
317.10193	0.3
321.04028	0.2
325.06934	0.1
328.05765	0.4
329.06549	0.8
330.07352	10.1
339.05023	0.9
343.04306	0.2
343.08167	2.0
344.09149	0.2
345.09692	100.0
346.10037	0.8
353.06390	0.2
354.07407	0.2
357.05957	1.1
369.06070	0.1
369.09808	0.8
372.08020	0.1
373.09042	0.3
387.10745	4.8
399.10852	0.4
411.10757	0.7
429.11511	0.1
453.03107	0.1
471.13080	0.2
489.14383	0.2
507.15021	22.5
508.15295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.1
51.02386	1.2
51.22975	0.4
53.03940	2.3
55.01878	0.7
56.03513	0.4
57.03435	0.7
59.19783	0.4
64.82928	0.5
69.03436	7.8
69.33960	3.3
70.06584	1.0
71.04980	1.6
73.02920	1.7
78.03457	21.6
79.05489	0.9
79.67197	0.5
80.05032	2.5
81.03423	15.4
83.05000	0.5
84.08154	1.1
85.02911	8.1
86.09708	1.2
87.04439	1.0
93.07045	0.5
96.04506	3.9
97.02890	5.5
99.04456	3.5
103.05486	0.9
106.02922	75.9
109.02884	8.0
119.04929	0.6
121.02962	0.5
121.10124	0.6
124.03963	100.0
127.03920	6.5
128.64951	0.5
131.04948	1.8
134.74916	0.6
136.07602	0.6
137.09689	0.6
138.05414	0.5
145.02844	1.0
145.04939	0.6
145.59035	0.5
147.04451	1.0
149.06052	0.7
154.08611	0.6
166.04970	0.9
175.03928	1.9
177.05466	3.4
182.08203	1.1
196.06303	0.7
203.03395	1.6
208.06100	0.6
221.04471	2.2
223.13295	1.4
232.00203	0.5
232.06079	0.8
250.04491	0.8
250.07130	16.9
268.08182	31.5
269.81516	0.6
315.80786	0.6
488.04938	1.1
488.11896	18.6
506.12955	51.4
507.13156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
61.02919	0.6
62.05183	0.3
62.36063	0.4
65.72069	0.4
69.03441	1.9
69.40639	2.9
70.06591	1.3
73.02923	0.4
73.06562	1.1
81.03436	0.5
85.02911	4.6
87.04472	2.4
89.06039	97.9
90.36964	0.4
91.03918	0.5
91.05486	0.5
91.07595	0.5
97.02892	2.2
98.21004	1.3
107.07066	1.1
109.02892	0.4
116.07136	0.4
119.07346	1.5
124.03947	0.5
127.03913	1.1
130.08636	0.8
131.07069	0.6
133.08614	54.0
135.10181	0.5
135.41731	0.4
136.07596	0.9
145.05028	0.4
146.08102	0.5
147.04407	0.8
151.09613	0.4
177.05507	0.7
177.11241	18.5
195.12225	0.7
205.08609	0.6
221.13840	3.9
239.14928	3.7
241.99051	0.4
270.35312	0.4
283.17523	2.9
309.19226	0.8
315.13474	1.3
327.20157	100.0
328.20471	0.8
384.67825	0.4
437.90338	0.4
506.22614	1.8
506.28888	0.7
517.86658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01868	0.6
56.02353	0.2
57.03428	0.7
58.42597	0.2
59.05009	0.3
61.02920	0.7
62.39610	0.2
68.99462	0.3
68.99773	1.4
69.03436	2.2
70.89740	0.5
71.04997	2.2
73.02898	0.6
81.03429	3.1
85.02918	3.2
87.00838	2.1
87.04476	0.9
89.06027	0.4
97.02896	2.7
99.04473	1.1
100.07629	0.3
105.01875	0.8
105.05493	0.5
109.02892	5.2
115.03938	0.9
127.03928	100.0
128.04234	0.5
129.01875	0.3
133.04956	2.7
133.08603	0.3
137.05951	0.3
143.03375	0.4
145.04973	1.2
146.93059	0.3
151.03960	0.4
155.03455	1.8
159.02895	1.0
173.04446	0.9
177.05467	0.5
183.02908	7.3
195.02975	0.3
201.03946	2.4
203.18980	0.2
210.30522	0.3
213.03975	0.7
219.04982	0.5
231.05043	0.2
243.05078	0.4
245.06749	0.3
273.06195	1.0
317.08820	0.5
327.07141	0.6
327.20203	0.5
328.20682	0.5
345.08264	2.1
363.09326	0.8
507.15311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00487	0.9
53.03946	4.4
53.26512	0.8
55.05515	11.9
57.03460	1.9
57.07079	32.3
60.98315	0.9
65.03944	1.8
67.05508	29.0
69.03441	1.6
69.07072	8.5
69.34698	3.4
69.35108	2.3
71.05003	2.2
71.08636	21.6
79.05494	12.8
80.14973	0.8
81.03422	68.3
81.07059	24.9
83.04974	3.2
83.08620	22.2
85.06538	1.3
85.10186	14.0
85.10664	1.1
89.06055	1.7
91.05489	18.9
93.07049	10.7
95.04967	17.6
95.05563	1.0
95.08611	24.9
97.02908	1.0
97.06528	0.9
97.10184	5.2
98.21526	1.6
99.08099	2.1
99.11740	0.9
105.07038	11.2
107.04936	3.8
107.08590	4.4
109.06540	2.8
109.10154	15.4
111.08070	6.0
111.11700	0.8
115.05482	1.8
117.07049	1.2
119.08581	10.5
121.06532	2.5
121.10155	7.4
123.04430	1.1
123.11679	5.0
128.06190	1.2
129.07019	7.8
131.08572	8.5
133.06514	2.6
133.10170	3.3
135.11734	2.2
137.09628	2.2
137.13268	2.1
142.07828	2.6
145.10152	1.6
147.08086	2.4
147.11726	5.2
149.09669	3.4
149.13251	1.0
151.11241	1.3
157.10118	4.4
161.13368	1.2
165.12796	2.0
173.11862	1.1
175.11206	4.9
179.14296	6.8
193.12254	44.0
211.13316	0.8
221.22682	1.4
231.02834	1.1
231.13933	1.1
238.12001	0.8
239.23700	7.3
249.14845	6.2
270.64859	0.8
276.99048	0.8
277.21622	5.2
284.17484	0.9
340.23489	1.7
358.83533	1.0
369.13937	0.9
406.43024	0.9
413.16251	1.6
487.34061	0.9
505.39053	100.0
506.39221	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
54.78975	3.9
55.01867	6.8
55.05507	16.3
57.07077	3.8
67.05511	27.5
69.03416	10.6
69.07078	22.2
69.49859	6.6
69.50269	19.4
79.05506	18.1
81.06651	5.4
81.07065	52.0
83.08613	7.4
85.02895	8.1
89.17764	3.6
91.05479	30.9
93.06492	5.7
93.07051	100.0
95.04938	5.6
95.08617	48.2
97.02901	5.4
105.07041	46.0
107.08604	36.2
109.10178	59.9
111.08125	23.8
119.08595	43.6
119.90658	3.8
121.10156	24.9
123.11683	13.2
127.03915	7.5
127.83707	3.7
133.10127	38.1
135.11707	56.3
147.11707	41.5
161.13257	14.8
163.14848	7.0
165.12735	6.6
175.14798	11.9
192.68645	4.7
203.17992	50.8
214.61456	3.6
221.19125	5.3
241.04985	41.3
248.09332	4.1
256.07324	62.4
257.53009	4.0
260.61050	4.0
270.62152	4.9
285.39984	4.4
414.19122	5.0
450.17200	3.9
472.16653	4.9
486.18240	4.1
504.19119	42.5
504.31451	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	505.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20880	0.5
55.05503	1.5
57.03442	3.0
61.02916	0.9
67.05503	0.8
69.03434	8.6
69.07060	2.1
70.67303	1.3
70.67640	0.7
71.04981	1.1
73.02924	3.9
79.05480	1.7
81.03370	0.6
81.07067	7.6
83.08625	0.8
85.02906	8.7
87.04477	6.2
91.05490	3.8
93.07053	3.9
95.08616	10.2
97.02897	8.4
99.04483	1.0
99.08088	1.9
105.07035	10.1
107.08616	6.2
115.03941	8.9
117.06936	0.6
119.08590	32.1
121.10139	0.9
123.11691	1.3
127.03922	2.0
131.08571	1.0
133.04970	8.9
133.10138	39.9
135.11713	8.1
137.09608	0.7
145.04962	2.2
145.10081	1.0
147.11702	2.7
175.14836	100.0
176.15256	1.1
193.15903	10.5
211.16942	9.7
229.12073	0.5
267.30768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93648	3.3
53.03952	3.9
55.05502	24.2
57.03445	4.0
57.07073	5.9
67.05508	39.5
69.03447	8.2
69.07078	40.5
69.34374	23.0
71.04998	6.6
79.05495	29.0
81.03401	4.4
81.07066	96.2
83.08631	13.0
85.02908	18.3
85.06557	16.3
87.04507	5.2
91.05476	25.5
93.07054	55.6
95.04990	5.4
95.08618	100.0
97.02882	8.1
97.06532	5.8
97.10190	10.9
97.63492	2.8
99.08094	14.5
105.04552	2.6
105.07034	40.8
107.08612	54.7
109.06524	5.9
109.10168	60.9
111.08102	7.0
111.11751	8.0
113.09656	5.7
116.59162	2.8
119.08587	40.0
121.10155	33.5
123.08086	3.2
123.11712	31.2
125.09631	8.3
126.12801	6.7
127.11209	3.7
131.08562	12.5
133.10139	41.8
135.11714	32.7
137.05972	9.0
137.09636	9.4
137.13254	5.9
139.11206	6.5
145.05009	3.2
145.10101	17.2
147.11691	24.2
149.13275	31.3
151.11168	4.0
151.14877	3.6
153.12798	3.8
155.10768	3.7
159.11708	18.6
161.13235	15.6
163.14827	14.4
165.12804	3.0
173.13274	10.2
175.14850	52.8
177.16405	10.8
179.14294	4.5
187.14830	12.3
189.16396	12.4
191.18021	3.6
193.15930	8.9
201.16443	4.5
211.16975	4.6
215.17978	6.2
245.22447	4.2
263.23819	4.6
271.24237	23.3
277.25302	10.3
286.04645	7.2
289.25284	50.4
295.26428	2.7
301.07022	10.5
306.44925	2.7
307.26321	28.0
325.27454	6.5
505.15036	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	505.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.5
53.03944	3.9
55.01872	1.4
55.05267	0.7
55.05516	9.0
57.03431	1.3
57.07080	31.0
59.94166	0.4
62.13535	0.4
63.26581	0.5
65.03936	1.2
66.94775	0.4
67.05508	23.0
69.03432	1.2
69.06720	0.8
69.07072	8.8
69.79289	0.9
69.79700	2.0
71.04994	1.3
71.08636	25.1
79.05149	0.3
79.05494	11.1
81.03422	72.9
81.07062	22.3
83.04967	2.2
83.08622	22.2
85.02892	0.5
85.06547	0.6
85.10188	12.7
86.76389	0.4
91.05486	14.5
93.07047	7.1
95.04976	17.7
95.08611	22.4
97.02900	1.4
97.06530	0.9
97.10177	6.3
99.08102	0.5
99.11744	0.8
103.05476	0.4
105.07033	9.1
105.07693	0.7
107.04955	4.1
107.08585	3.5
109.06532	1.5
109.10160	11.1
111.04455	1.2
111.08083	5.9
111.11732	1.3
115.05462	1.0
117.07079	1.2
119.04982	0.9
119.08585	8.4
121.06516	2.1
121.10159	4.3
123.08079	1.0
123.11718	4.9
125.09650	1.1
125.13239	0.8
129.07008	7.0
131.08568	6.5
131.09511	0.4
133.06516	2.7
133.10130	3.3
135.11765	0.7
137.09663	1.2
137.13249	2.0
142.07797	2.3
145.10126	1.0
147.08061	2.3
147.11684	4.8
147.95122	0.4
149.09637	3.6
149.13326	0.6
151.14857	0.9
157.10143	6.5
159.11780	0.4
165.12766	1.3
165.16460	0.6
175.11195	7.7
175.12561	0.6
177.06474	0.4
185.13327	0.6
187.01033	0.5
189.11261	0.6
193.12256	28.9
221.22647	0.7
227.12779	0.6
231.13925	1.2
239.23714	7.2
249.14867	5.7
295.27908	0.5
408.34790	0.6
505.38995	100.0
506.39297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
52.38887	1.0
52.92152	1.0
53.03949	2.3
54.29966	1.0
54.73234	1.2
55.01888	2.4
55.05505	3.9
56.21889	1.2
57.03444	11.3
57.07070	1.2
59.05007	2.8
61.02935	2.2
65.03931	1.2
65.64251	1.0
67.05506	12.1
67.92628	1.2
69.03436	35.9
69.07069	12.5
69.58908	1.1
69.76794	4.7
70.06601	1.3
71.05003	3.0
73.02921	5.5
79.05489	9.1
81.03403	2.8
81.07061	25.3
83.04983	3.1
83.08633	3.2
85.02910	35.3
85.06536	3.2
86.09719	1.3
87.04475	21.0
89.06038	1.4
91.03956	1.2
91.05478	6.3
93.07056	13.0
95.04978	4.9
95.08614	12.5
97.02895	28.1
97.06550	4.1
97.10201	1.2
99.04474	2.3
99.08099	3.3
105.07023	8.4
107.04971	1.6
107.08610	14.8
109.02906	3.0
109.06525	100.0
109.10175	21.6
111.04436	1.2
111.08076	2.2
111.11752	2.0
115.03938	32.3
117.07010	2.3
119.08601	7.5
121.06490	3.5
121.10152	6.0
123.08043	6.6
123.11716	4.2
125.09664	1.2
127.03917	6.9
131.08542	5.6
133.04016	2.2
133.04977	31.8
133.10121	6.9
135.08063	30.7
135.11693	9.3
137.05975	2.0
137.09625	3.9
139.11203	2.3
143.08597	1.3
145.04988	4.7
145.10147	3.5
145.30473	1.4
147.08061	1.4
147.11687	4.2
149.02330	2.8
149.09656	3.3
149.13278	4.2
150.10420	4.2
151.07539	3.9
151.11197	2.6
153.09079	2.3
153.12770	8.6
155.10690	1.6
157.10071	2.4
157.12267	1.5
159.08145	1.1
159.11694	3.9
161.09572	1.4
161.13278	1.7
163.06047	1.3
163.14854	1.4
173.13223	5.4
175.14754	1.7
185.66016	1.4
187.14777	1.4
191.14317	52.1
191.16077	2.7
193.15878	2.5
195.10158	2.3
199.14909	1.6
200.74521	1.1
201.16306	1.5
209.15375	23.5
213.19101	1.2
221.08101	1.5
237.18410	1.4
241.10741	1.4
275.23999	1.4
277.09381	1.8
287.23663	5.3
293.24670	5.2
305.24802	9.2
309.39072	1.2
323.25839	14.8
341.19714	1.9
485.30859	1.8
488.71936	1.5
503.17426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01880	2.0
55.05508	1.9
57.03435	3.2
58.84146	1.0
61.02930	2.5
61.96817	1.2
67.05499	3.8
69.03432	7.9
69.07061	3.0
69.67587	3.9
69.67999	2.1
71.04990	2.8
73.02922	3.5
79.05498	5.0
81.03435	3.6
81.07053	6.8
82.06598	1.4
82.55116	1.0
85.02915	18.9
85.06544	2.1
87.04467	2.0
89.06029	1.2
89.94035	1.0
91.03964	1.5
91.05489	6.8
92.05051	1.2
93.07040	3.7
94.04192	5.0
95.04951	2.0
95.08619	4.5
97.02900	6.4
97.06563	1.6
99.04456	1.3
99.08112	1.9
103.05499	3.2
105.07066	6.4
107.04991	1.7
107.08590	3.2
109.02934	2.7
109.06517	3.2
109.10163	3.8
111.08096	1.2
112.05765	1.2
115.05486	1.5
117.07033	2.2
119.08597	5.1
121.10175	1.8
122.03666	7.7
125.09635	1.2
127.03937	5.0
128.06255	2.8
128.07111	1.3
129.07005	2.0
131.04936	3.1
131.07144	1.1
131.08537	1.4
132.05742	2.7
133.06487	2.5
133.10167	3.5
135.11693	2.4
137.05995	100.0
141.07043	1.2
145.02853	1.4
145.05006	2.7
145.06531	1.6
145.10126	1.4
147.04411	1.7
147.08049	3.4
147.11650	1.5
149.05983	1.3
149.13257	1.7
151.11226	2.2
153.12796	1.5
155.05005	1.1
159.11737	1.6
160.05200	2.0
161.05968	11.8
163.07532	7.6
169.06537	1.4
175.07565	39.0
177.05493	1.8
179.07040	1.1
187.07573	7.0
190.07837	2.2
191.08583	5.2
199.07562	16.1
202.07874	4.0
203.08621	7.6
219.08081	8.0
220.08873	2.5
231.08130	8.6
236.99847	1.2
237.18495	2.5
247.07574	3.7
248.08337	3.5
251.10666	7.1
259.07437	5.9
260.08374	3.3
261.09329	1.2
263.06870	1.8
263.10706	4.6
276.07837	2.0
277.08652	3.6
279.10196	8.0
280.11078	1.3
291.10138	12.8
292.10983	4.0
293.08313	2.0
295.13226	2.0
305.24670	1.8
308.10556	2.0
311.12805	21.8
323.12820	23.7
323.25873	3.2
325.14316	2.4
338.11020	2.8
453.68121	1.2
497.49805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01846	1.1
55.05514	13.6
56.32142	1.0
56.61309	1.0
57.03436	2.1
57.07079	1.9
59.05001	5.0
61.02932	3.2
67.05518	6.2
69.03428	6.8
69.07074	100.0
69.15805	12.4
71.05005	3.0
76.44338	1.2
79.05503	8.0
80.23132	1.1
81.03420	4.4
81.07064	17.4
83.08633	4.9
85.02428	2.0
85.02916	21.1
85.06533	2.3
91.05484	13.0
93.07054	19.0
95.04997	4.3
95.08613	15.9
97.02897	5.8
97.06535	4.3
97.10175	3.0
98.21539	2.2
99.04487	3.2
99.08109	3.9
105.07044	31.8
107.08603	11.2
109.02895	2.2
109.06561	1.7
109.10156	10.8
111.08070	1.4
111.11731	24.8
117.07021	3.0
119.08588	17.4
121.10153	36.4
123.11701	6.3
125.09641	1.5
127.03911	4.3
129.07007	1.1
129.12714	1.2
131.08580	7.6
133.10143	76.9
135.08046	1.7
135.11697	6.1
137.09659	1.2
137.13304	4.1
139.11192	22.9
142.07817	2.7
143.08626	1.5
145.05003	3.0
145.10146	9.9
147.11690	8.8
149.13264	10.1
151.11200	3.8
157.10143	7.0
157.12263	3.2
159.11716	10.5
161.13284	3.3
163.14867	1.3
167.14401	2.5
173.13286	2.9
175.11194	10.7
175.14972	2.0
177.16408	2.6
185.13321	3.8
187.14799	2.3
193.15875	1.7
199.14813	1.6
211.16957	1.6
213.16389	2.1
213.18393	1.8
254.19583	1.2
269.22604	2.6
275.23642	9.6
287.23682	8.4
290.87317	1.4
293.24814	4.3
305.24826	11.0
323.25867	7.0
341.26920	11.7
425.05719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
55.05518	10.1
57.03428	4.8
57.07076	3.2
63.73685	1.1
67.05247	1.1
67.05509	13.3
69.03449	1.9
69.07077	9.9
69.77023	7.1
71.04990	1.5
71.08611	5.4
71.52068	1.2
74.20678	1.4
79.05502	8.7
81.07060	21.2
83.04955	1.8
83.08612	4.9
85.06551	2.5
90.86616	1.2
91.05475	8.8
92.60063	1.7
93.07047	14.6
95.04993	1.6
95.08608	16.8
96.09784	1.3
97.06538	6.4
97.10151	1.5
98.98470	65.0
99.08070	3.3
105.07054	11.6
107.08601	15.4
109.06532	15.0
109.10149	6.9
111.08115	1.8
116.99472	1.4
117.06995	2.3
119.08591	10.9
121.06458	2.0
121.10172	7.2
123.04430	1.5
123.08080	29.3
123.11682	3.9
124.23465	1.7
125.09641	1.6
131.08548	4.1
133.10130	9.1
135.08075	18.5
135.11665	4.8
137.09607	3.0
145.10136	7.6
147.11684	5.8
149.09589	4.0
149.13226	5.3
157.10150	2.1
159.11668	4.6
161.09663	2.2
161.13194	1.9
163.11165	1.6
165.12732	2.1
173.02126	8.3
173.13216	2.9
175.14833	4.9
177.12752	6.6
177.16399	1.7
179.14316	43.7
191.14421	2.3
193.15985	2.1
205.15894	5.0
205.19571	2.5
206.19939	1.5
215.14087	1.4
232.04268	1.3
233.18898	1.8
247.20464	2.2
247.83087	1.2
263.20071	3.0
275.19986	6.4
289.21649	5.9
289.24927	1.5
293.21143	2.5
303.26840	7.5
313.25201	2.6
331.26331	100.0
349.27435	16.2
387.28918	5.3
405.30011	64.3
405.34631	1.3
405.35486	2.5
406.40567	1.6
423.30878	4.2
485.26529	3.5
503.27637	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.6
56.58283	1.5
57.07068	9.3
67.05514	12.3
69.07071	26.7
69.25294	5.1
69.25716	9.7
70.06586	2.1
71.08617	4.1
79.05485	5.8
81.07058	29.3
82.52979	1.5
83.08622	16.4
85.10185	3.2
91.05491	4.4
93.06471	2.5
93.07033	20.4
95.08612	71.3
95.40219	1.4
97.02908	3.0
97.10159	8.1
105.07043	9.3
107.08595	19.3
109.06519	3.2
109.10170	17.4
110.35775	1.4
111.11710	3.1
115.54101	1.4
117.07002	3.7
119.08587	8.0
121.10158	15.8
121.23724	1.5
123.11712	12.0
125.13297	3.6
127.07549	8.1
131.08572	6.5
133.10115	7.1
135.11697	13.1
137.13289	8.5
143.08575	3.7
145.10132	8.8
147.04379	1.6
147.08017	2.8
147.11693	9.4
149.13272	10.5
151.14813	3.9
155.08438	1.5
157.10133	3.6
159.11710	3.5
161.09682	1.8
161.48311	1.9
163.14813	2.1
165.16405	2.2
171.11749	3.6
173.09602	1.9
173.13210	2.5
177.16357	4.8
185.13205	3.4
189.09050	2.9
191.10666	5.7
199.14816	5.1
200.20114	2.0
217.12221	2.2
217.15993	2.0
219.13844	5.3
231.13869	5.6
233.15321	2.0
245.15355	6.3
261.25790	3.3
273.18326	2.1
279.38385	2.0
284.26501	2.7
318.98715	1.7
334.63733	1.9
339.26617	3.4
354.23944	1.8
357.27899	100.0
375.29034	9.0
403.21390	1.7
442.43970	1.6
501.36783	3.4
501.46967	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32306	1.4
54.46741	1.4
55.05516	5.4
57.02984	1.3
57.03409	1.7
57.06825	2.5
57.07084	23.2
59.68115	1.3
62.30953	1.3
68.17097	1.4
69.03440	1.9
69.07085	2.6
69.51556	10.1
71.04998	3.4
81.07079	1.8
83.94840	1.5
85.02924	7.1
91.05476	1.5
95.20461	1.4
97.06548	15.0
98.20818	1.8
105.07040	2.0
107.08642	2.4
109.10186	1.8
111.04452	1.5
116.07092	1.8
121.10155	2.1
127.03915	2.7
128.04332	1.7
141.01900	1.8
145.04945	2.3
149.02370	100.0
161.06009	2.2
175.07544	4.2
203.07092	10.0
205.08644	14.3
219.17548	1.6
254.08925	2.8
277.14401	65.1
295.15488	6.7
311.12820	3.8
311.16208	1.9
355.15445	6.6
434.10593	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58813	1.5
55.05516	11.7
57.03440	15.5
57.06834	2.3
57.07084	28.5
59.05007	3.6
65.03954	2.2
67.05513	92.9
69.07072	8.2
71.04997	2.8
71.08638	22.1
79.05489	2.9
81.07071	19.4
83.08634	13.5
85.06558	2.6
85.10203	10.5
89.06017	1.9
91.05486	4.0
93.07055	2.5
95.08611	16.1
97.10165	2.8
107.08613	3.5
109.10168	79.2
111.08102	3.3
119.08614	3.9
123.11746	1.8
137.09633	3.5
143.67036	1.4
155.10722	5.6
173.11751	21.3
200.42932	1.8
229.14386	100.0
229.71471	1.5
230.14674	1.5
239.23647	2.1
257.24655	1.8
313.27386	92.7
467.37369	61.7
481.89981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.85690	0.9
55.01875	1.5
55.05515	17.4
57.07075	8.6
67.05508	14.8
69.07072	28.8
69.73352	2.9
71.08637	2.6
79.05493	7.2
81.07059	28.3
83.08150	1.3
83.08623	19.5
85.10163	1.8
91.05497	4.6
93.07048	20.7
95.04967	0.9
95.08611	84.5
97.02896	4.2
97.10178	10.0
98.20814	1.4
105.07044	11.1
107.08597	22.6
109.06516	3.6
109.09470	1.4
109.10157	16.7
111.11725	4.7
117.07016	3.6
119.08574	10.0
121.06496	1.4
121.10149	16.1
123.08051	1.2
123.11711	11.7
125.13306	1.9
127.07604	1.6
129.07013	2.0
130.07771	1.2
131.08560	6.9
133.06506	1.8
133.10156	6.7
135.04370	0.9
135.08109	1.3
135.11697	17.3
137.13277	9.6
139.14836	2.1
142.07730	0.8
143.08572	4.7
145.06454	1.2
145.10129	10.2
147.04431	1.0
147.08061	2.2
147.11681	8.9
149.06015	1.8
149.09602	1.8
149.13271	13.3
151.14816	3.9
155.08514	1.6
156.09401	0.9
157.06448	1.3
157.10130	5.0
159.08054	1.7
159.11739	4.0
161.09607	2.0
161.13278	2.0
163.07500	1.5
163.11240	1.8
163.14832	3.2
165.16400	2.9
167.08583	0.9
169.10156	1.3
170.10973	1.3
171.08089	1.1
171.11658	4.2
173.09618	3.3
173.13315	2.7
175.14844	1.4
177.09169	1.9
177.16373	4.6
183.11728	1.1
185.09680	1.2
185.13310	4.3
187.11264	0.9
187.14835	2.1
189.09111	2.2
189.16415	0.8
191.10660	9.5
191.17912	3.8
195.11726	1.1
199.11165	2.0
199.14873	5.4
201.12741	1.9
203.14357	1.5
205.12227	1.7
213.12747	0.9
215.14474	0.9
217.12234	2.3
217.15825	1.4
219.13814	7.0
227.14377	2.5
231.13800	5.6
233.15405	2.1
241.15738	0.8
241.19719	0.8
245.15404	6.1
259.16711	1.3
261.25748	3.8
264.62091	0.8
268.08304	0.7
273.18521	1.1
276.49710	0.7
287.20047	1.8
339.26895	1.7
357.27881	100.0
375.28967	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01246	0.6
53.03943	1.5
55.01872	1.7
55.05502	0.9
57.03443	4.3
59.05005	1.1
61.02917	1.3
67.05496	1.4
68.31934	0.7
69.03084	1.1
69.03435	15.5
69.07068	2.1
69.21841	2.3
69.22264	4.1
70.06604	1.5
71.04987	1.7
73.02917	2.4
79.05493	5.4
79.96478	0.6
80.40260	0.6
81.03419	1.2
81.07058	4.7
83.04937	0.7
83.08593	0.9
84.04498	1.1
85.02913	17.5
85.06570	1.1
86.09723	2.0
87.04478	8.9
87.57842	0.7
89.03864	0.7
89.06041	0.9
91.05498	5.8
93.07040	3.5
94.04191	3.1
95.04980	2.6
95.08624	1.8
97.02901	14.2
97.06557	1.6
99.04464	1.8
103.05460	1.4
105.07047	7.2
107.04961	1.6
107.08601	3.3
109.02895	1.7
109.06528	46.2
109.10165	2.4
115.03943	13.1
115.05423	3.6
117.07026	1.8
118.66145	0.7
119.04878	1.1
119.08598	3.0
121.06507	1.9
121.10162	1.5
122.03662	7.1
122.72184	0.7
123.04444	0.9
123.08088	1.5
123.34933	0.7
127.03895	3.2
128.06239	2.3
129.07027	1.9
131.04976	1.2
131.08597	2.6
132.05704	2.1
133.04976	13.2
133.06488	4.2
133.10135	1.9
135.08078	14.1
135.11697	1.3
137.05992	100.0
141.07007	1.0
143.06039	0.7
145.04990	2.8
145.06514	1.5
145.10115	1.2
147.04413	2.5
147.08041	2.3
147.11684	0.8
149.05957	2.2
149.09662	1.5
150.10486	1.2
151.07578	1.9
151.11249	1.0
153.09158	1.8
155.04906	1.2
159.08072	3.6
160.05269	2.0
161.05991	10.7
167.07065	1.0
171.08089	1.0
172.05223	1.5
173.13229	1.5
175.07568	27.6
177.05522	0.8
177.09250	1.1
179.07066	1.8
184.05232	1.3
187.07518	8.9
190.07788	1.7
190.96161	0.6
191.06883	1.0
191.08549	7.2
191.14330	20.5
195.10107	1.0
199.07596	7.9
202.07823	2.5
203.08609	4.6
205.08611	0.9
209.15401	11.3
217.08575	1.0
218.07321	2.1
219.08069	10.1
220.08899	2.3
223.03236	0.8
231.08090	4.3
232.08885	1.9
235.07622	1.2
236.08379	2.4
243.13493	1.0
245.85608	0.7
247.07558	4.8
248.08289	3.3
251.10686	14.4
251.12993	1.2
255.06584	3.0
259.07639	4.0
260.08212	1.2
261.09210	1.4
263.10706	3.7
264.07870	0.9
265.08749	0.9
277.08783	2.1
279.10141	10.5
280.10913	2.0
281.08221	1.3
291.10144	7.7
292.11096	1.8
293.08124	1.3
295.13303	0.9
303.45581	0.7
305.24677	1.0
311.12796	27.7
312.13428	0.7
323.12772	14.9
323.25790	0.9
341.13870	1.5
341.21625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03949	1.2
55.01864	1.5
56.29043	0.6
57.01885	0.5
57.03433	1.4
61.02919	2.0
65.03941	0.7
67.05503	1.3
69.03438	8.1
69.07062	1.4
69.41182	2.0
69.41616	2.1
71.04990	1.1
73.02910	1.2
79.05486	2.0
81.03436	3.1
81.07058	2.8
85.02912	15.6
85.06564	0.6
87.04485	1.1
91.03940	0.6
91.05469	3.0
93.07069	0.6
94.04219	3.9
95.04979	0.9
95.08605	0.8
97.02892	4.6
97.06457	0.6
98.21497	1.0
99.04452	1.5
100.87202	0.5
103.05476	3.5
104.06281	0.8
105.07042	4.6
107.04956	1.3
107.08576	0.9
109.02887	2.0
109.06485	2.9
109.10165	1.3
111.98786	0.6
113.21288	0.5
115.03877	0.6
115.05465	3.3
117.07018	1.8
119.08578	2.3
121.10154	0.6
122.03658	7.8
127.03943	2.7
128.06226	1.8
129.07007	2.0
131.04938	4.1
132.05717	3.2
133.06496	2.7
135.11697	0.6
137.05991	100.0
141.07002	1.2
143.04904	0.7
143.05974	0.6
145.04990	2.0
145.06506	0.8
145.10132	0.6
146.03671	1.2
147.04401	1.1
147.08060	3.3
149.06021	1.5
155.04884	0.8
159.08080	2.0
160.05202	2.1
161.05986	11.8
163.07550	7.5
167.07014	0.9
171.08052	0.8
172.05118	0.6
175.07564	38.0
176.08020	0.7
184.05278	1.7
187.07571	6.5
189.09111	1.0
190.07823	1.5
191.08578	3.7
199.07556	14.2
201.09117	1.0
202.07706	4.3
203.08569	7.1
205.06444	0.6
218.07268	1.7
219.08099	6.8
220.08922	2.4
230.07478	0.7
231.08084	8.2
232.08867	2.0
233.96938	0.6
235.07458	1.0
235.11237	1.2
236.08328	1.4
237.09106	0.6
243.08060	0.7
247.07565	3.3
248.08365	3.5
249.09172	1.4
251.10669	9.2
259.07614	5.3
260.08420	2.5
261.09225	1.2
263.10657	5.4
265.08759	1.1
276.07831	2.8
277.08594	3.5
279.10199	7.6
280.11108	0.6
289.08438	0.5
291.10181	13.7
292.11008	3.6
293.08154	1.5
293.24423	0.5
295.10150	0.5
295.13425	2.2
304.85791	0.5
308.10455	1.3
311.12805	21.4
323.12808	21.3
325.14362	2.0
503.18512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05277	0.7
55.05516	11.0
55.66739	0.7
57.07084	8.1
67.05512	27.4
69.03411	0.7
69.06687	0.9
69.07075	29.1
69.48199	3.2
71.08636	6.6
79.05505	7.7
81.07066	50.9
83.04971	0.8
83.08639	5.9
85.10183	2.0
91.05483	5.9
93.07059	11.6
95.04948	0.7
95.08617	64.4
97.02894	2.4
97.10194	1.9
98.20790	1.3
104.28180	0.7
105.07047	14.7
107.08604	12.1
108.09341	0.7
109.02877	2.2
109.06524	6.3
109.10168	53.9
110.69263	0.7
111.11718	2.7
116.50818	0.7
117.07024	1.9
119.08602	12.4
121.10160	8.8
123.11720	38.4
127.07571	9.2
129.07068	1.1
131.08556	5.7
133.08626	0.8
133.10147	14.2
135.04408	1.3
135.11723	6.0
137.13271	36.3
143.08568	2.0
145.06497	1.3
145.10161	6.7
147.08092	1.0
147.11710	12.7
149.13275	4.1
151.14799	2.1
155.08548	1.3
157.10136	2.0
159.11726	3.3
161.09607	1.3
161.13292	4.8
163.11197	0.8
163.14857	3.3
165.16403	36.3
171.11691	2.0
173.09659	2.6
173.13264	2.1
175.14793	3.9
177.09180	1.1
177.16406	0.8
183.11699	0.7
185.13174	1.6
187.07631	0.8
187.14943	0.7
189.09227	1.6
189.16412	2.8
191.10696	6.4
201.12892	1.1
203.17950	1.1
205.12323	0.9
213.12784	0.8
217.12263	2.4
219.13751	1.0
231.13776	2.1
243.13829	2.2
245.15340	1.2
259.24200	4.6
285.19037	0.7
337.25278	1.7
355.26343	100.0
356.26642	1.3
373.27661	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87558	3.1
57.03418	4.9
57.07082	94.4
58.04213	11.0
59.05009	28.9
60.58172	3.6
64.68842	3.4
67.05509	6.3
67.86070	3.4
69.07070	7.6
71.08639	100.0
71.52174	3.8
72.05765	9.4
73.02922	9.8
73.06573	6.4
81.07079	4.4
83.08625	6.3
85.10192	95.5
87.04470	19.9
89.06040	30.6
90.01917	43.3
96.09435	3.5
97.10158	4.5
99.11717	10.9
102.06763	3.9
103.07562	8.9
116.08380	3.6
117.09167	5.2
124.74512	3.4
131.07043	4.5
133.08646	15.9
140.17740	3.2
141.16409	10.3
169.15874	4.1
177.11111	4.4
178.07141	9.4
179.12811	5.3
198.19768	5.3
199.20587	14.2
209.13882	7.6
222.09782	9.4
225.45836	3.1
235.29347	3.6
254.65764	3.3
266.12296	6.1
284.13403	15.3
348.30927	9.2
499.21323	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09739	1.9
55.05522	21.4
57.03442	15.5
57.07077	9.5
59.05009	2.9
64.52645	1.7
67.05512	80.3
69.07071	20.9
71.08645	8.3
71.52605	3.4
79.05505	3.4
81.07069	16.5
83.08623	23.5
85.06538	2.7
85.10172	3.4
86.21550	1.7
91.05465	3.9
93.07059	4.9
95.08608	7.9
97.10168	16.4
107.08588	4.9
109.10168	75.2
111.08091	2.9
111.11727	5.7
119.08576	6.2
119.89048	1.7
121.10110	3.1
135.11711	1.9
137.09662	4.0
155.10715	7.9
161.62881	1.7
173.11742	20.8
229.14368	100.0
283.26282	2.3
311.25824	76.7
465.35852	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91760	0.2
53.03956	0.5
55.01874	0.3
57.03459	0.2
67.05493	0.3
69.03430	0.9
70.06603	0.6
71.04987	0.3
71.24725	0.2
73.02897	0.3
79.05523	0.3
81.03438	1.6
81.07058	0.4
81.80861	0.2
82.06578	0.2
84.08189	0.3
85.02922	1.1
85.06568	0.2
86.01282	0.2
86.09711	0.8
87.00836	0.4
89.03904	0.4
91.05489	1.8
93.07066	0.3
95.04984	0.2
95.08654	0.2
97.02912	1.3
97.06542	0.2
99.04445	0.5
100.07653	0.3
105.07034	0.6
107.08620	0.4
109.02898	2.3
109.06468	0.2
109.10169	0.3
114.64542	0.2
115.17607	0.2
116.07148	0.3
117.03384	1.2
117.05784	1.2
118.06564	7.7
119.08588	0.5
121.10173	0.3
123.24318	0.2
125.02357	0.3
127.03941	15.5
133.06509	0.2
133.07632	0.6
133.10138	0.3
134.08163	0.2
135.04404	0.2
135.11752	0.2
137.06015	0.3
145.02892	3.2
145.07631	100.0
146.08002	0.8
147.04440	0.3
147.11699	0.6
149.05992	0.3
149.09619	0.3
163.08698	11.8
177.05508	3.9
213.03809	0.3
231.05124	0.3
235.16928	0.5
320.03122	0.2
321.09409	0.2
325.14050	1.1
339.04779	0.7
501.10538	1.6
501.18707	24.2
502.19205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	1.1
57.03440	1.5
61.02929	2.0
61.23412	1.0
69.03437	6.5
69.48093	5.5
70.06600	1.0
81.03419	3.2
85.02924	11.4
87.04502	1.4
91.05482	1.7
94.06573	2.2
97.02907	5.2
98.09684	1.3
98.97582	1.6
107.59013	1.0
108.08086	1.0
109.02875	1.8
111.04433	2.0
119.04949	2.5
120.08070	1.8
127.03906	1.3
131.07231	1.1
136.07605	3.0
138.09171	1.4
146.08371	3.2
147.04430	10.9
147.09204	2.0
156.06625	1.6
161.05971	1.1
161.07153	1.2
164.07008	1.0
174.07918	9.3
175.08749	4.7
182.09756	1.2
183.09186	1.5
189.10237	2.1
194.09691	1.2
195.09152	1.1
196.09972	6.0
197.10721	2.3
198.07788	1.3
199.08720	1.3
201.10197	1.2
203.08232	0.9
204.08955	6.1
206.08417	13.5
209.07321	1.3
211.12332	6.7
213.10284	2.2
217.09706	6.9
220.09918	1.8
221.10760	7.9
223.08682	3.3
224.09418	6.4
225.10178	1.1
226.10962	1.3
227.08113	2.5
227.11725	2.1
228.12454	1.3
230.11855	1.3
235.10844	1.0
237.10249	1.6
238.10977	4.6
239.08180	2.1
239.11810	20.4
241.09717	3.8
243.11415	1.4
246.13605	2.0
257.12936	9.3
267.11331	48.5
271.10776	3.8
272.11606	13.7
273.12262	3.2
275.13962	5.7
285.12381	52.8
290.12650	10.7
303.13428	92.8
321.14493	100.0
377.12097	1.1
426.59869	1.1
455.20715	1.0
483.19772	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	501.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05516	15.0
57.07078	5.2
67.05511	10.9
69.07075	24.7
69.21551	6.6
71.08640	2.6
74.23084	0.7
79.05493	5.0
81.07062	21.8
83.08627	13.4
85.07763	0.8
85.10186	0.8
85.96751	0.7
86.74889	0.7
91.05460	4.8
93.07048	16.6
95.08613	66.9
97.02901	2.2
97.10165	7.2
105.07034	8.0
107.08604	18.5
109.02883	1.0
109.06525	5.6
109.09473	1.3
109.10165	16.1
111.11720	3.9
117.07049	2.0
119.08593	6.5
121.10148	12.1
123.08071	2.0
123.11719	10.4
125.13301	2.0
127.07574	8.6
129.07002	1.6
131.08583	5.7
133.06502	1.1
133.10112	4.6
135.04451	0.9
135.08029	1.2
135.11705	11.3
137.13260	7.9
139.14857	1.7
143.08580	3.7
145.06477	2.1
145.10147	6.5
147.04399	1.0
147.08067	1.6
147.11703	6.4
149.05957	1.5
149.09561	1.1
149.13257	10.5
151.14842	2.8
152.67044	0.8
157.10086	4.1
159.11697	3.1
161.09683	2.1
161.13298	1.3
163.07556	1.3
163.11209	1.6
163.14890	2.8
165.16393	2.2
171.08165	0.9
171.11700	2.5
173.09641	3.1
173.13289	2.3
175.14763	0.8
177.09158	1.5
177.16379	3.4
183.11623	1.2
185.09682	1.0
185.13275	3.3
187.11166	0.8
187.14819	1.7
189.09087	2.1
191.10660	7.2
191.17940	2.6
199.11182	1.3
199.14850	4.6
201.12775	1.2
203.10678	1.2
205.12239	1.3
205.19278	1.0
215.14381	1.0
217.12308	2.1
217.15852	1.7
219.13823	4.6
227.14342	2.5
231.13805	5.3
231.17282	0.9
233.15369	1.4
245.15396	5.2
261.25830	2.5
280.50952	0.9
287.20303	1.3
319.59570	0.9
339.26901	1.2
357.27890	100.0
358.28494	0.9
375.28937	5.5
394.90900	0.8
501.22491	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01864	3.4
55.05515	34.0
57.03435	32.0
57.07065	10.3
60.60006	3.3
61.02657	5.0
61.02934	59.0
63.05908	2.9
67.05509	80.7
67.53385	2.7
69.03151	2.7
69.03435	34.5
69.06737	3.0
69.07076	37.4
71.01360	6.4
71.03068	7.4
71.04995	6.4
73.02934	22.4
79.05506	34.7
81.03431	22.0
81.07060	97.4
82.00256	3.1
83.04971	9.5
83.08631	25.3
85.02909	58.8
87.04433	3.7
91.03971	31.3
91.05500	24.3
93.07046	33.8
95.04938	3.9
95.08614	79.1
96.12372	2.8
97.02905	51.9
97.06518	8.5
97.10158	13.5
99.04462	5.5
99.08099	5.5
101.02368	10.6
103.03916	9.8
105.07023	23.1
107.08610	24.1
107.38144	3.5
109.02869	12.1
109.10163	34.7
111.04425	4.5
111.08115	4.6
111.11724	3.9
113.09676	2.8
115.03941	4.8
117.07078	4.1
119.08582	19.1
121.10135	17.7
123.08081	3.4
123.11685	14.2
125.09613	5.1
127.03915	24.5
129.05440	8.7
131.08566	8.9
133.10130	14.4
135.11693	12.1
137.09666	3.6
137.13269	7.4
145.04932	8.6
145.10127	4.7
147.11673	13.5
149.13266	12.5
151.11224	4.2
161.13252	7.3
163.14830	6.5
171.11621	3.8
173.13243	3.7
175.14874	4.9
177.16426	4.8
183.06544	7.1
189.16420	5.4
201.07573	4.1
230.89308	3.7
241.39983	3.7
245.22591	10.2
252.39110	3.3
261.22116	3.3
263.23782	21.3
337.27399	100.0
353.24350	5.4
365.27094	4.3
371.25766	7.1
379.28293	3.5
463.30304	6.5
464.31012	5.3
481.31250	5.4
499.32678	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.3
55.07758	1.3
57.07089	7.0
67.05511	23.9
69.07074	30.7
69.18650	7.0
69.19072	4.4
71.08656	5.8
79.05500	7.2
81.07063	43.3
83.08614	6.1
85.10166	3.0
91.05473	4.3
93.07055	13.0
95.08615	60.9
97.02892	2.0
97.10172	1.8
98.20789	2.1
105.07030	14.3
107.08080	1.1
107.08611	10.8
109.06508	3.5
109.10162	52.1
111.11720	2.7
117.06991	2.4
119.08601	11.7
121.10155	8.2
123.11721	38.7
127.07576	1.8
131.08575	5.3
133.10135	16.9
135.08052	1.3
135.11681	6.6
137.13269	38.2
143.08536	2.3
145.10104	6.5
147.11691	13.8
149.13251	3.8
151.14796	2.8
157.10158	1.6
159.11714	3.9
161.13231	2.8
163.14854	3.8
165.16406	40.9
171.11725	2.0
173.09621	2.5
173.13225	1.8
175.14838	4.3
177.16278	1.3
185.13228	2.2
189.09106	2.4
189.16341	2.6
191.10661	4.0
199.11095	1.4
199.14958	1.6
205.12247	1.5
217.12292	2.7
231.13834	3.4
243.13805	3.1
245.15419	1.8
259.24213	3.6
337.25369	1.8
351.57343	1.1
355.26337	100.0
356.26410	1.2
373.27386	11.9
499.48920	3.3
516.39252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08623	1.2
51.04970	1.4
51.69891	1.2
53.03947	3.3
55.01867	2.1
55.05508	3.9
57.03439	6.4
61.02936	1.8
67.05505	6.0
69.03436	67.3
69.07069	7.3
70.06594	4.4
71.01358	3.9
71.04991	13.4
71.51038	1.3
73.02934	3.2
79.05505	4.1
81.03413	9.4
81.07062	8.5
82.06597	2.0
83.04984	24.6
83.08623	3.1
84.04474	1.8
85.02912	32.9
85.06567	2.8
86.09679	1.9
87.04481	2.8
91.05480	6.7
93.07058	5.0
95.05006	3.1
95.08621	8.3
97.02911	8.8
97.06530	6.6
99.04451	3.9
100.07605	3.4
101.02364	1.5
103.05492	1.5
104.03603	1.5
105.07030	9.6
107.04971	2.0
107.08607	15.0
109.02874	8.8
109.06548	7.5
109.10178	4.4
111.04433	16.8
111.08093	3.7
113.06010	1.5
117.07052	2.4
119.08587	7.6
121.06510	4.7
121.10159	17.7
122.06004	2.0
123.04402	1.8
123.08097	3.9
123.11703	8.6
125.09619	11.6
127.03921	14.1
129.05484	18.8
129.07001	2.1
131.08562	8.2
133.10136	6.0
133.17114	1.3
135.08067	17.5
135.11650	8.0
136.07593	1.6
137.06023	1.9
139.03896	2.3
140.07094	2.5
143.08563	4.6
145.04990	3.6
145.10123	7.0
147.04391	2.6
147.06566	1.4
147.08096	1.7
147.11703	3.7
148.07614	1.7
149.05986	1.9
149.09631	10.0
149.13272	3.4
151.11215	2.1
153.05441	2.0
153.09084	4.9
158.10938	3.4
161.09721	2.1
163.03949	1.6
163.11157	2.5
163.14815	7.8
165.71945	1.5
173.13292	31.3
175.14824	2.5
177.05528	3.7
178.08611	3.4
191.14325	100.0
209.15387	59.9
238.78432	1.4
239.11931	2.1
247.10788	1.8
255.08554	2.5
271.10831	1.9
273.09607	1.7
282.68518	1.4
307.12759	3.7
319.19159	3.8
326.11890	1.6
360.06830	1.4
445.15900	2.1
463.17105	2.3
481.17752	2.6
499.19089	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77364	2.3
53.03943	6.3
55.01871	4.9
55.05518	31.0
57.03439	29.4
57.07080	12.1
58.82079	2.5
60.08159	3.2
61.02931	60.1
61.08502	3.2
67.05510	82.8
69.03439	29.4
69.07069	33.2
69.85107	9.2
69.85525	4.7
71.01365	3.7
71.04993	4.6
71.08627	8.7
73.02922	33.2
74.42411	2.3
77.90851	3.0
79.05499	28.7
81.03423	22.6
81.07068	84.2
82.22482	2.5
83.04990	5.8
83.08623	21.8
85.02912	60.7
85.06538	4.6
85.10177	5.6
85.16251	2.4
86.09707	10.4
87.04432	3.1
87.10066	5.0
87.96897	2.1
88.31956	2.8
89.06014	2.7
89.45624	2.4
91.03968	41.5
91.05474	19.9
93.07044	29.5
95.04979	3.1
95.08617	62.4
97.02900	53.2
97.06541	4.2
97.10170	13.0
98.21414	4.0
99.04467	12.2
99.08084	5.3
101.02393	11.0
103.03945	10.1
104.10760	23.0
105.07023	21.5
105.11097	7.5
107.08595	17.7
107.71200	2.6
109.02894	9.5
109.06553	2.5
109.10150	29.5
111.04380	3.1
111.08073	4.2
111.11720	3.7
115.03923	5.4
117.54236	2.6
119.08589	13.9
119.81963	2.7
121.10127	15.7
123.08097	2.7
123.11715	13.0
124.99969	2.9
127.00533	2.5
127.03909	22.4
129.05475	4.7
131.08594	5.9
133.10138	11.6
135.11694	13.3
137.13274	7.5
145.04961	5.4
145.10109	3.7
147.08028	4.2
147.11667	11.8
149.13258	8.3
157.10144	3.3
161.13290	10.0
163.14825	7.1
165.12767	2.6
173.13271	3.5
175.14825	7.8
183.06561	5.4
184.07350	10.8
185.07710	8.3
186.07831	9.1
189.16344	4.9
201.07594	3.8
203.17908	2.8
245.22639	13.5
263.23724	22.2
305.24710	3.5
337.27368	100.0
365.27066	4.1
445.29819	2.9
463.30359	6.8
481.31625	8.4
499.14487	2.9
499.33133	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01867	1.2
55.05502	0.8
57.03432	2.3
57.07060	0.6
58.08061	0.4
59.04995	1.7
60.61850	0.5
61.02919	1.9
62.08131	0.5
64.09364	0.5
67.05516	2.6
69.03432	6.7
69.07079	6.6
70.06590	1.2
71.01348	0.8
71.04994	12.7
71.52122	0.9
73.02925	9.0
79.05499	5.3
81.03410	1.0
81.07064	36.3
83.04958	2.6
83.08617	0.6
84.04479	0.4
84.08129	0.9
85.02912	11.4
87.04490	1.1
91.05479	1.0
93.07026	3.1
95.04972	1.5
95.08611	2.0
97.02899	8.4
97.06548	2.7
99.04427	1.7
99.08089	2.1
100.07613	0.5
105.07059	1.5
107.08612	7.4
109.02860	1.3
109.06518	1.1
109.10168	10.9
111.08076	1.3
111.11734	4.7
115.03954	4.3
121.10164	2.0
121.12364	0.5
122.05978	0.7
123.11717	12.3
127.03928	4.1
127.07599	0.6
127.11244	0.7
133.04942	2.8
133.10123	2.4
139.11194	6.4
140.07022	0.6
145.04962	2.1
151.11195	20.7
157.10194	0.6
157.12254	10.9
163.05965	0.8
169.12254	23.6
187.13309	100.0
205.14381	14.3
212.91309	0.5
223.06081	0.5
243.50827	0.6
259.08014	0.8
301.11951	0.7
307.13123	0.6
319.17548	1.1
349.18655	1.4
367.19632	1.8
481.17966	0.7
499.18515	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39478	0.9
58.93929	0.9
65.03950	2.3
69.03429	2.8
69.53385	2.7
69.53806	3.6
70.06599	1.8
79.05495	1.6
81.03418	2.2
81.07084	1.4
85.02914	3.5
92.05005	2.5
96.08146	2.8
97.02914	1.7
109.02913	1.1
114.09227	1.4
116.65475	0.9
122.06027	1.5
124.07619	2.0
126.09170	9.3
138.09145	3.0
145.02878	1.3
146.08203	0.9
148.03949	4.0
150.05569	1.5
152.07071	24.9
160.09729	3.6
160.51459	0.8
161.10039	1.4
164.03426	0.9
166.05014	41.9
176.03421	7.6
177.05444	2.1
182.04465	7.1
183.09415	1.1
194.02959	1.3
194.04523	7.3
199.08679	1.5
200.10733	2.0
211.08728	0.9
212.09338	2.3
215.08118	1.2
225.10147	1.3
227.11786	4.2
228.10257	1.5
240.08966	2.6
242.10660	1.1
243.11430	1.8
249.98404	1.0
253.09694	4.6
254.08049	1.2
255.11369	4.1
257.09241	2.3
257.12872	1.6
259.07217	1.8
261.12524	1.4
270.10086	1.5
271.10809	8.5
272.09247	1.4
273.08774	1.5
273.12329	2.2
283.10788	37.7
288.11084	1.1
289.11844	5.2
301.11841	33.8
301.15189	2.1
319.12903	100.0
320.13110	1.2
337.14047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04454	0.6
50.88319	0.6
62.98937	0.6
64.78976	0.7
65.03941	2.1
69.03450	0.7
69.97171	2.8
79.05464	0.6
81.03415	0.7
82.72879	0.7
85.02895	2.3
86.37323	0.6
88.36330	0.7
92.05005	2.8
96.04527	0.7
96.08120	2.6
97.02935	1.0
106.55000	0.6
120.04461	0.9
122.06058	1.5
124.07585	4.2
126.09171	8.3
137.05989	1.2
138.09164	2.0
148.03903	3.4
150.05534	1.2
152.07079	26.4
164.03395	0.8
166.05014	45.0
174.05560	0.7
176.03447	8.8
182.04533	8.6
194.04506	5.9
198.07785	1.9
199.08708	1.6
199.43837	0.7
200.10706	1.7
210.03146	0.6
211.08780	1.3
212.07350	0.7
212.09494	2.7
213.06909	0.7
215.08223	2.0
225.10229	2.1
226.07187	0.8
227.08167	1.1
227.11816	4.3
228.10204	2.3
228.50403	0.7
229.13371	1.2
233.09206	2.0
239.08205	1.0
240.08965	2.4
241.09798	0.9
243.11343	1.4
245.09242	0.9
253.09706	3.9
254.08174	1.3
255.11305	5.0
257.09290	2.5
257.12830	0.9
259.07111	3.6
261.12326	1.2
270.10077	1.4
271.10852	10.2
272.09125	1.3
273.08975	1.3
273.12372	3.1
283.10800	44.6
285.12308	0.7
289.11868	5.5
301.08893	0.7
301.11835	32.1
319.12912	100.0
320.13272	0.8
337.13763	1.2
351.31537	0.7
454.98279	0.7
481.18018	1.8
499.18823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
61.02908	0.7
65.03941	2.6
69.03421	1.4
69.07059	0.6
69.41960	4.5
70.06602	0.8
75.93916	0.6
81.05802	0.8
81.07039	1.2
85.02882	2.6
92.05000	2.5
96.08144	3.4
97.02901	1.4
98.20763	1.3
100.07607	1.4
105.07082	0.6
106.06599	0.7
108.08116	1.2
108.48030	0.6
109.02883	0.9
109.06573	0.7
122.06044	1.9
124.07613	3.7
126.09163	7.9
134.06017	0.8
138.09154	2.2
140.07045	0.7
148.03981	2.6
150.05518	1.3
150.09180	0.8
152.07086	26.2
163.03993	1.1
164.03410	0.7
166.05026	47.9
168.06615	0.6
176.03458	7.7
177.05525	0.7
182.04501	8.9
184.07414	0.6
194.04521	6.5
198.07857	1.0
199.08694	1.0
200.10706	1.3
209.10747	0.8
210.07727	0.8
212.09306	3.0
215.08202	1.8
225.10210	2.6
227.08252	1.2
227.11810	4.0
228.10168	2.3
228.12286	0.9
229.13385	1.0
230.08191	0.8
233.09239	2.5
240.08942	2.1
241.06110	0.7
241.09717	0.8
242.10481	0.9
243.11269	1.0
244.08580	0.7
253.09789	3.2
254.08212	1.2
255.07599	1.0
255.11336	4.8
257.09213	2.9
257.12918	1.3
259.07156	1.7
261.12476	1.2
270.09988	1.8
271.10837	9.8
272.09219	1.0
273.08896	1.1
273.12323	2.7
283.10800	41.2
288.11139	0.8
289.11920	4.5
301.11847	27.2
319.12915	100.0
320.13461	1.1
337.13922	1.6
455.37973	0.7
481.18372	1.0
499.18939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70452	0.1
55.05507	0.3
56.05037	0.5
57.03447	0.3
57.07082	0.9
58.06365	0.2
58.06641	0.5
60.08170	5.8
69.07073	0.4
71.07379	2.4
71.08630	0.5
72.85353	0.1
77.91399	0.1
81.07072	0.4
83.08624	0.4
85.10194	0.3
86.09714	29.3
89.06006	0.1
93.07027	0.2
95.08607	0.4
97.10175	0.2
98.98477	2.9
104.10759	3.2
125.00014	20.6
139.11140	0.1
171.13896	0.2
184.07356	100.0
185.07698	0.4
193.30957	0.1
258.10983	0.2
313.27289	0.4
381.29544	0.1
471.90479	0.2
478.33124	1.1
496.34192	3.9
496.41324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
57.03434	3.2
57.07081	100.0
59.04715	3.5
59.05007	52.9
59.96937	1.5
67.14716	1.5
69.07080	2.8
71.08638	98.1
72.08173	2.1
75.34148	1.7
81.07066	2.0
83.08646	4.2
85.10191	92.4
89.06041	21.3
93.96162	1.7
97.10162	3.4
99.11734	11.9
101.09677	4.7
103.07554	4.4
111.03819	1.7
117.09139	18.9
133.08643	2.7
141.16382	13.4
147.10173	7.2
155.18031	1.6
199.20586	27.2
205.14383	5.7
223.15509	4.2
257.24756	33.9
263.18692	2.8
283.17593	3.9
315.28909	2.8
479.39301	5.7
496.34540	2.5
496.41525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.01863	2.9
55.05514	15.4
57.03430	9.9
57.07076	5.8
59.05001	13.0
65.09740	2.5
65.22409	2.5
65.27245	2.1
67.05516	20.2
69.07068	74.6
70.10304	11.8
71.04991	10.0
73.02916	2.4
73.06570	2.5
79.05504	17.4
81.07053	24.8
83.04980	6.1
83.08637	17.0
85.06552	4.7
87.04506	2.4
87.08082	2.7
89.06036	40.4
91.05486	5.0
93.07051	33.8
95.08614	30.7
97.06531	38.2
97.10170	6.7
101.06005	2.9
105.06976	2.9
107.08600	29.2
109.10162	14.7
111.08061	8.8
111.11704	9.6
117.09139	5.4
121.10135	9.2
121.69804	2.5
133.08611	19.7
135.11691	81.6
139.11189	18.8
147.10136	2.5
151.09587	2.7
153.11513	5.7
153.12756	100.0
157.12238	19.4
157.19003	2.5
171.13809	90.2
177.11296	12.3
195.12265	11.5
197.15399	17.7
211.16879	5.2
215.16443	8.2
217.51123	2.6
229.17946	27.2
235.15327	6.2
244.35051	2.4
253.16481	9.4
273.20474	2.5
287.22095	11.7
347.24207	4.4
481.33728	7.7
482.15146	2.9
483.16159	8.4
498.18451	28.5
499.18387	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	498.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83351	1.7
55.05505	2.6
57.06799	4.0
57.07079	96.0
59.04998	19.3
69.47865	12.8
71.08636	100.0
83.08636	2.6
85.10188	83.4
87.04478	4.7
89.06034	97.1
91.43810	1.9
99.11718	7.7
101.75890	2.2
103.07568	5.3
117.09068	2.2
120.73128	1.7
131.07054	3.8
133.08611	62.2
134.99785	1.8
141.16386	9.6
175.09610	3.1
177.11235	39.7
195.12274	2.1
196.97560	1.8
199.20616	14.3
204.97890	2.1
221.13806	2.9
243.23180	9.0
257.95306	1.8
265.16537	5.5
283.17535	40.9
323.20618	6.6
325.12357	2.3
327.20108	3.8
341.21561	3.1
438.47037	2.0
481.37384	15.3
498.39682	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01877	2.0
55.05515	3.9
57.03445	2.5
59.04997	1.2
61.02908	1.6
63.36448	1.1
65.03940	1.2
67.00328	1.0
67.05526	6.0
69.03442	10.8
69.07078	7.9
69.70776	6.2
70.06599	4.2
70.91591	1.2
71.05002	3.1
73.02922	4.4
78.03458	9.4
79.05491	5.5
80.05047	1.9
81.03423	15.5
81.07073	11.7
82.06595	1.7
83.04998	1.6
83.08630	3.6
84.04532	1.1
85.02918	9.3
85.06543	1.9
86.09716	1.4
87.38999	1.3
91.05494	7.2
93.07051	16.3
95.04974	2.9
95.08624	11.4
96.04523	1.5
97.02907	9.0
97.06553	1.8
98.20718	1.2
99.04443	1.4
99.08125	1.0
101.06024	1.1
105.07047	12.2
106.02924	33.7
107.08604	25.2
109.02895	9.1
109.06555	1.8
109.10185	6.0
111.04475	1.5
111.08086	1.9
112.07665	1.5
115.03941	2.3
117.06931	1.2
119.08605	16.8
120.08103	1.2
121.10147	14.3
123.11712	4.2
124.03967	100.0
124.07610	1.3
125.09668	1.5
127.03921	9.2
128.07047	1.3
129.05441	1.1
131.08603	2.1
133.04955	2.0
133.10144	10.9
134.01140	1.2
135.11746	6.3
137.09587	1.9
139.11200	2.3
140.07021	2.4
145.05005	3.4
147.04437	1.3
147.11685	3.2
149.09637	2.8
149.13293	3.1
151.28786	1.1
154.08647	1.5
162.05511	1.5
163.03900	2.1
163.14861	8.3
166.05109	1.5
167.10719	4.3
167.14302	5.4
175.14861	17.7
193.12329	2.4
193.15942	5.3
229.12360	1.1
232.06062	3.0
235.16951	2.2
250.07146	16.1
268.08197	62.8
271.19012	6.5
285.16928	2.4
286.09229	22.8
317.05756	1.7
318.06277	2.5
319.06610	3.1
331.08148	1.8
332.08548	8.0
333.08768	5.3
334.08972	8.3
350.61749	1.2
448.23148	5.9
460.23126	1.7
478.18173	1.9
478.24356	19.7
478.30710	2.0
496.18710	2.0
497.19888	4.9
521.53595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.05508	5.1
57.03440	1.7
63.75971	1.0
67.05508	3.6
69.03432	9.4
69.07079	6.7
70.06567	2.0
71.05004	2.9
71.35255	1.1
71.51785	1.3
73.02924	1.1
77.93410	1.1
78.03448	10.4
79.05489	5.0
80.05017	1.7
81.03426	15.9
81.07063	11.3
83.04990	1.8
83.08614	2.5
85.02913	9.8
85.06573	1.4
87.04421	1.3
91.05484	5.7
93.07047	8.3
95.04942	1.4
95.08616	15.1
96.04493	1.9
97.02910	5.4
97.06539	1.2
99.04478	3.7
99.46991	1.0
101.13001	1.0
105.07043	11.0
106.02922	40.7
107.04926	1.0
107.08603	12.7
108.08119	1.8
109.02886	12.7
109.06523	4.4
109.10185	5.7
119.08588	33.0
120.08111	1.2
121.10159	5.1
123.11719	2.8
124.03964	99.6
126.09161	32.8
127.03922	6.1
131.08533	1.1
133.09129	1.8
133.10141	35.4
135.11702	12.4
137.09634	3.5
145.10162	1.9
147.11722	5.4
149.13269	1.6
151.11183	1.4
151.15039	0.9
153.05496	3.0
153.12785	5.7
166.05103	1.0
175.14839	100.0
176.15178	1.7
177.05521	2.0
177.16495	1.4
193.15887	7.0
227.09061	2.2
232.06023	2.5
250.07097	14.5
260.12833	1.1
268.08188	51.0
286.03851	1.3
286.09174	16.5
302.03659	1.6
303.04123	2.3
304.04272	3.4
316.05664	3.0
317.06018	6.0
318.06281	4.7
319.06561	7.5
331.08109	4.6
332.08514	16.1
333.08624	12.0
334.08951	26.2
416.20349	1.1
460.23419	6.1
478.24475	9.9
497.19608	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23194	2.3
50.48428	2.1
53.03944	2.8
55.01869	4.6
55.05524	17.2
57.03428	4.7
57.07069	4.6
59.05002	3.0
65.60973	2.3
67.05502	11.2
69.03432	15.3
69.07078	30.4
70.05520	9.9
71.04986	9.6
73.02924	3.5
79.05498	7.5
81.03416	15.5
81.07072	25.5
83.04967	7.5
83.08620	9.2
85.02911	28.2
85.06546	21.3
87.00827	9.7
91.05474	5.5
93.07048	10.6
95.04938	3.3
95.08625	34.3
97.02876	8.8
97.06541	8.8
97.10160	9.4
99.04454	5.8
99.08108	19.2
100.11239	4.3
105.01866	8.9
105.07024	8.4
106.02929	6.4
107.08578	18.4
109.02864	13.6
109.06548	3.1
109.10168	15.8
111.08084	3.9
111.11725	5.1
113.09633	6.1
119.08592	5.8
121.10140	31.4
123.11699	6.8
124.03967	28.0
125.09627	7.1
127.03918	16.3
133.10109	6.8
135.11700	18.5
137.09576	3.4
137.13248	19.5
139.11180	5.9
145.04948	8.7
147.11717	6.6
149.13286	3.5
150.09079	2.6
151.14769	3.0
153.12759	4.4
159.02954	2.6
175.15028	2.6
177.16379	46.5
191.06798	2.6
193.15947	7.6
195.17461	29.7
211.17079	2.3
213.18506	100.0
217.23453	2.2
231.04874	4.0
245.92908	2.4
268.08173	9.0
286.09149	15.0
321.16354	2.5
445.24982	2.4
453.21420	2.4
461.23901	56.7
478.18533	3.5
496.18716	18.9
496.37512	2.5
497.20123	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05504	0.2
56.05045	1.3
57.03433	0.6
57.06824	0.3
57.07080	2.8
57.63565	0.2
58.06587	1.3
59.07385	0.3
60.08168	17.1
67.05516	1.0
69.07063	0.5
69.78999	0.8
70.06616	0.2
71.07382	6.3
71.08637	2.1
81.07049	1.0
83.08630	0.7
85.10197	1.1
86.09713	49.4
95.08613	1.1
97.10174	0.2
98.98474	3.3
101.75477	0.2
104.10754	100.0
105.11086	0.2
109.10174	0.6
123.11748	0.2
125.00015	28.3
163.01596	0.6
181.02640	0.3
184.07353	95.5
185.07745	0.2
199.03555	0.2
258.11063	0.7
273.31564	0.2
313.27405	1.8
361.16025	0.2
419.25562	0.3
478.32977	9.0
496.34021	39.7
497.34427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87567	1.2
53.03941	3.6
55.01886	7.4
55.05521	1.4
57.03444	11.3
57.07080	1.5
59.04997	3.0
61.02932	7.5
64.88024	1.3
65.24496	1.0
67.05515	6.2
67.48971	1.1
67.58611	1.3
69.03086	1.9
69.03435	24.7
69.07083	2.0
69.18216	12.2
70.06588	2.3
71.01369	2.4
71.04999	3.3
73.02930	33.5
78.03442	1.8
79.05496	11.4
81.03411	7.6
81.06597	1.7
81.07066	24.4
82.06570	3.1
83.04977	3.5
84.04469	1.1
84.08154	1.6
85.02914	39.5
85.06519	1.1
87.04462	5.7
91.03948	1.5
91.05486	7.8
92.06081	1.2
93.06484	2.4
93.07055	40.5
95.04950	2.0
95.08622	14.2
96.04512	1.7
96.94924	1.4
97.02294	2.7
97.02895	37.1
97.06551	3.3
99.04465	3.4
100.07614	2.0
105.07034	7.2
106.02907	5.0
107.04945	1.8
107.08594	13.9
109.02870	3.6
109.06508	4.8
109.10185	2.3
111.04450	2.6
111.08057	2.2
115.03951	17.4
116.56555	1.2
119.08569	3.6
121.06531	3.2
121.10155	100.0
123.08080	2.0
123.11722	27.7
124.03951	10.4
125.06021	9.5
125.09557	1.3
127.03925	13.1
128.07080	2.7
131.08566	4.8
133.04962	14.9
137.05995	8.8
138.05510	2.1
139.11189	11.6
144.06566	2.0
145.02859	2.1
145.04958	10.1
147.04509	1.4
149.05951	1.7
149.09642	42.4
156.06522	1.6
160.38887	1.2
163.06029	3.4
166.04910	1.2
167.07047	5.1
167.10698	48.3
177.05490	5.4
185.11734	8.6
187.06088	1.6
190.07352	1.3
195.13260	1.1
197.11748	5.1
197.89639	1.3
217.57587	1.3
223.06058	2.0
241.07098	1.9
259.08127	3.3
268.08209	3.9
269.45837	1.2
275.88812	1.1
281.13852	4.1
296.02957	1.6
299.14929	24.5
329.15860	3.7
408.12479	1.5
460.27380	1.5
496.17978	4.7
497.19858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74234	0.5
55.01875	0.9
55.05514	4.2
57.03443	3.6
57.07081	0.6
65.03950	0.6
67.05508	11.2
69.03419	1.0
69.07080	5.9
71.04994	2.2
71.06491	1.2
71.06846	0.7
72.08156	0.8
73.02921	0.8
76.28094	0.6
79.05505	6.4
81.03414	1.0
81.07063	40.7
83.04994	3.6
83.08621	4.9
85.02915	3.1
85.06530	2.2
91.05487	11.0
91.76974	0.5
93.07055	5.2
95.01344	2.8
95.04977	1.7
95.08611	8.7
97.02904	0.8
97.06531	3.7
97.10141	0.5
99.08080	1.9
105.07042	17.4
107.08607	5.9
109.06506	2.4
109.10184	0.8
113.02408	1.0
119.08589	14.0
121.10146	11.6
123.08092	2.8
123.10830	1.2
123.11716	17.7
127.07592	0.9
129.06995	0.8
131.08572	1.4
133.10144	2.4
134.06563	0.7
137.09607	0.7
137.13255	1.5
141.01849	4.8
141.08983	0.6
145.10149	0.7
147.11700	42.3
149.09630	0.6
157.10133	2.1
165.12755	18.3
165.14156	0.9
175.11194	3.0
183.13805	2.1
193.12224	2.0
211.13361	1.5
229.14331	6.8
267.15933	43.6
285.16980	100.0
302.04251	0.7
306.44376	0.6
398.58771	0.6
400.02911	0.7
416.24295	1.1
425.18195	0.8
436.95990	0.7
443.19073	1.3
461.20074	3.4
496.09430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01860	6.7
55.05510	1.6
55.26747	1.3
57.03438	11.6
57.98353	1.8
59.04992	2.8
61.02921	6.0
67.05492	6.2
69.03435	28.2
69.07040	2.3
70.06599	2.6
70.38184	1.6
70.38534	5.5
71.01331	3.4
71.05006	2.8
73.02924	30.7
79.05482	11.6
81.03419	7.1
81.07066	26.0
82.06580	2.5
83.04975	2.5
84.04466	1.6
85.02912	37.2
87.04477	8.7
91.05489	5.2
93.07043	34.2
95.04959	2.6
95.08602	12.4
95.62173	1.4
97.02903	32.0
97.06518	3.7
99.04447	4.0
100.07658	2.1
101.16547	1.5
103.03892	1.4
105.07027	5.7
106.02939	7.4
107.08608	13.8
109.02892	5.1
109.06508	4.4
109.10159	2.5
111.04432	2.6
115.03947	20.5
116.06232	2.3
119.08574	2.7
121.06540	2.0
121.10152	100.0
123.07995	2.3
123.11721	32.1
124.03965	8.2
125.06020	7.2
125.09644	1.7
127.03937	11.2
127.75329	1.4
128.07126	1.7
131.08565	4.3
133.04977	19.5
133.10072	2.0
137.05954	5.3
139.11195	10.6
145.02834	1.9
145.04967	13.1
146.08109	1.9
149.09631	39.3
152.61497	1.4
163.06012	2.6
167.07031	4.1
167.10684	51.1
177.05447	4.1
179.10643	2.2
185.11786	10.7
197.11742	5.0
218.14249	1.4
223.05930	3.5
225.01996	1.6
241.07074	1.9
250.07181	2.0
259.08041	2.5
268.08340	3.6
281.13763	5.9
292.83057	1.6
299.14877	26.0
311.14835	2.2
329.15897	4.7
496.17944	5.3
497.19608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.01872	5.0
55.05515	21.8
57.03448	12.3
57.07081	2.4
59.05013	2.1
63.28714	1.5
65.03932	2.3
67.05513	37.2
69.03433	7.9
69.07082	9.5
71.04998	7.1
71.52809	1.9
79.05502	34.8
81.03430	79.8
81.07069	51.3
82.68640	2.0
83.04997	17.6
83.08636	34.4
85.02920	37.5
85.06565	4.2
86.23381	1.5
89.06062	1.7
90.90905	1.5
91.04922	2.5
91.05490	49.5
93.07054	28.0
95.04976	35.7
95.08047	2.6
95.08608	21.0
97.02908	5.2
97.06544	7.5
97.10166	8.9
103.16687	1.7
104.04469	1.8
105.07045	34.4
107.04958	11.1
107.08614	15.4
109.06564	9.2
109.10177	8.4
110.07063	1.8
111.04475	3.2
111.08087	15.6
113.06013	5.5
115.05497	3.4
117.07027	4.7
119.07224	1.8
119.08599	30.3
121.06545	3.0
121.10164	15.4
123.08072	4.5
123.11736	5.2
125.05907	2.1
125.09651	3.9
127.07605	2.2
129.07031	13.3
131.08585	17.2
133.06532	3.4
133.10156	17.5
135.08041	2.7
135.11732	4.8
137.09637	2.7
142.07820	3.7
143.08598	1.6
144.20786	1.8
145.10146	4.3
147.08086	5.3
147.11699	23.6
149.09633	8.5
150.34856	1.7
151.07549	2.1
151.11240	2.0
157.10135	20.3
161.09685	2.3
163.11206	1.7
165.12804	3.5
168.95625	1.6
175.11215	16.4
193.12268	79.2
211.13316	84.0
244.51991	1.6
267.15942	23.9
285.16989	7.7
324.72922	1.8
349.21664	2.2
389.94601	1.8
459.27307	8.4
477.28235	13.5
495.29626	100.0
496.30032	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42310	2.1
53.03933	3.9
53.98537	2.0
55.05510	17.3
56.96559	6.3
57.03437	3.8
57.07067	8.4
58.62774	2.0
65.03929	2.6
67.05509	31.2
68.01212	1.9
68.46007	1.9
69.07078	24.8
71.01360	18.0
71.04961	3.0
71.06253	3.8
71.06599	2.4
71.08645	3.4
79.05493	21.0
81.03413	8.6
81.07056	71.4
83.04963	4.5
83.08620	15.6
85.02902	7.6
88.98768	2.2
89.02399	28.0
91.05486	20.0
93.07051	36.7
94.74577	2.0
95.04965	6.8
95.08608	100.0
97.06503	2.8
97.10162	9.0
98.97587	10.0
105.07035	39.9
107.04978	3.4
107.08600	47.7
109.06523	4.7
109.10166	63.8
110.97572	3.5
111.08090	2.6
111.11707	4.7
115.05406	3.0
116.98661	2.2
117.07010	5.0
119.08582	42.8
120.13096	2.0
121.06509	2.9
121.09319	4.3
121.10140	46.2
123.08021	2.7
123.11711	29.0
124.99136	3.1
128.98680	2.4
129.07005	2.2
131.08560	10.9
132.88718	2.0
132.89780	2.4
133.10149	38.0
135.11714	29.2
137.13275	23.4
143.00188	5.9
143.08540	5.1
145.10146	17.8
147.11691	33.9
149.09651	2.4
149.13258	21.2
155.08464	2.4
157.10112	10.3
158.99678	3.3
159.11722	11.3
161.01241	3.2
161.13251	28.7
163.14832	9.1
169.10118	3.3
170.99652	4.0
171.11707	5.9
173.13252	12.4
175.11269	2.9
175.14822	13.0
177.16405	20.1
185.01210	4.7
185.13257	4.1
187.14859	10.2
189.00682	3.3
189.16379	15.2
191.17958	25.6
193.12283	5.8
199.14848	6.3
201.16383	16.1
203.17970	39.1
205.19530	7.7
211.13321	9.5
213.16341	3.1
215.17976	6.0
217.08698	4.7
217.19511	24.7
225.16264	2.4
227.17805	3.6
229.19510	17.2
231.21187	3.6
241.19453	5.6
243.21085	3.7
245.22693	4.4
255.21034	8.3
257.22617	7.9
267.15787	4.7
269.22614	4.5
271.24155	2.5
279.03802	3.5
283.24191	2.9
297.25681	2.5
317.21188	2.9
343.22418	2.3
357.24261	2.7
405.35117	7.3
407.36725	47.9
476.94662	2.3
477.28375	3.1
481.09030	11.8
495.13104	3.6
495.29337	13.1
495.38208	24.4
503.99854	2.4
505.09216	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97746	0.8
53.03938	4.1
54.22773	0.8
55.01863	4.0
55.05270	1.3
55.05514	20.6
57.03444	11.5
57.07066	0.8
59.04988	1.5
64.50416	0.8
65.03941	1.7
67.05510	31.0
69.03426	5.7
69.07085	7.0
71.05006	6.7
71.52055	1.1
72.49567	0.9
79.05496	29.0
81.03423	69.4
81.07065	34.3
83.04987	15.6
83.08623	26.7
83.09116	1.3
85.02911	36.9
85.06554	3.8
91.05488	40.7
91.65650	0.8
93.07050	20.7
95.04974	31.4
95.08613	14.3
97.02901	3.8
97.06540	6.2
97.10180	5.9
99.04449	1.2
99.08098	1.9
101.06022	1.0
105.04481	1.0
105.06321	1.4
105.07034	27.6
107.04958	12.0
107.08610	10.0
109.02892	0.9
109.06513	6.5
109.10159	5.0
111.04443	2.2
111.08092	12.5
113.06036	3.5
115.05473	2.2
117.07016	3.1
119.08595	27.2
121.06499	2.8
121.10156	12.8
123.08073	2.8
123.11719	2.9
125.09638	3.6
127.07578	1.1
128.06212	1.5
129.07021	13.4
131.08594	12.5
133.06506	2.5
133.10146	11.4
135.08063	1.2
135.11694	2.6
137.05969	1.4
137.09608	2.8
142.07834	3.8
142.23889	1.0
143.53876	1.0
145.06396	0.9
145.10114	3.2
147.08063	3.5
147.11694	15.9
149.09622	7.2
153.05359	0.9
157.10141	13.5
163.11269	1.1
165.12787	3.6
168.00574	1.2
175.11206	15.5
177.05605	1.1
177.12697	1.0
183.02975	2.3
187.11203	1.0
193.12253	58.0
211.13301	80.3
227.12700	0.9
253.08673	1.0
261.30908	1.0
267.15918	12.5
285.17001	3.9
327.05054	1.0
352.64352	1.2
359.22516	1.2
367.22882	1.0
385.23914	2.1
402.07977	0.9
403.24777	1.3
449.12366	15.1
451.26920	1.4
459.27277	6.2
477.28482	11.6
483.42871	0.9
495.29572	100.0
496.29861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.0
53.03944	2.6
55.01878	2.1
55.05513	15.2
57.03453	5.6
57.07082	1.9
61.02927	3.9
65.03935	1.6
67.05512	38.5
69.03416	3.0
69.06728	2.0
69.07073	21.8
71.01360	1.7
71.04991	3.5
71.52370	1.5
73.02934	2.1
73.06579	1.4
79.05502	26.1
81.03435	7.3
81.07063	100.0
83.04987	9.2
83.08617	10.9
85.02914	6.5
85.06546	7.0
89.02400	2.2
91.03973	2.5
91.05485	32.8
92.04565	1.0
93.07049	20.4
95.04975	6.4
95.08617	27.6
96.07451	1.1
97.02937	2.5
97.06538	9.1
97.10168	2.7
99.04443	1.9
99.08128	2.8
101.06027	1.6
103.03968	1.2
105.07044	45.6
107.04983	2.5
107.08599	20.8
109.06534	6.8
109.10184	6.8
111.08086	2.8
113.06017	1.3
117.07049	4.4
119.08598	37.8
121.06494	2.2
121.10153	30.9
123.08071	6.5
123.11720	33.3
127.03883	1.3
127.07577	2.3
129.07013	3.8
131.08597	4.0
133.10158	6.7
135.11720	4.3
137.09642	1.7
137.13312	3.1
139.11186	1.1
141.09172	1.3
143.08517	1.9
145.10133	4.8
147.11697	72.1
147.45740	1.0
148.11955	1.1
149.09590	2.9
149.13260	2.8
153.05525	1.1
157.10172	4.3
159.11729	4.0
161.13319	2.7
165.12761	34.6
167.14395	1.1
171.11765	1.7
173.13293	1.7
173.51935	1.2
175.11263	2.7
183.13858	5.0
185.13301	1.3
190.32950	1.0
191.18002	1.4
193.12262	8.3
211.13338	7.8
215.14278	1.5
217.19557	2.2
219.13855	1.5
229.14343	8.2
259.20566	2.0
267.15942	50.8
285.17065	4.9
333.24338	3.2
345.24387	1.2
367.22684	1.4
375.25153	1.3
385.23834	1.6
403.24976	1.7
407.37009	2.1
441.26465	2.5
449.29257	1.8
459.27493	3.6
477.28555	13.5
495.29630	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1842
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
50.30466	0.3
55.05505	1.1
59.05018	0.4
65.03935	0.5
66.62524	0.3
67.05505	1.8
69.03434	1.2
69.07069	0.9
69.34467	1.1
69.34884	1.3
71.05011	0.7
73.02930	0.6
79.05498	1.0
80.02400	0.4
81.03430	0.6
81.07061	1.7
83.04984	0.8
83.08628	0.3
85.02899	2.0
85.06550	1.0
86.03213	0.4
87.00845	0.7
91.05491	1.4
93.07049	1.6
95.04948	0.6
95.08604	2.1
96.08972	0.6
97.02892	0.8
97.06564	0.4
97.10205	0.3
99.04456	1.5
99.08102	3.6
100.04828	0.3
100.08435	1.2
105.01881	0.7
105.07057	0.7
107.04989	0.3
107.08591	1.6
109.02879	0.6
109.06523	0.7
109.10169	3.7
110.10510	1.2
111.08073	0.6
119.04698	0.4
119.08614	1.1
121.10160	0.7
123.08074	0.4
123.11703	0.4
127.03926	1.7
128.04265	0.7
131.08600	0.3
133.10124	1.0
134.10455	0.5
135.11699	1.8
136.12053	0.7
137.05978	0.8
137.09671	0.9
138.09953	0.4
145.04936	0.5
147.04343	0.4
147.09177	1.0
147.11703	0.5
149.09654	0.3
151.07562	2.1
155.10722	0.5
159.02867	0.3
162.06609	1.0
173.05733	2.5
175.14847	0.4
176.15192	0.5
191.08206	2.2
192.08524	1.4
193.15831	1.5
194.16301	1.4
211.16975	4.3
212.17288	5.8
227.05290	0.4
229.12027	7.3
231.13554	0.6
245.06325	2.1
247.13078	7.6
289.05325	5.3
290.12234	0.3
303.23154	0.4
307.13016	0.4
308.13312	1.1
409.18307	4.8
433.18234	0.4
451.19446	18.0
452.17984	0.5
460.22510	2.7
477.55457	0.3
495.18414	100.0
496.19128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45396	0.5
50.45646	0.6
51.98419	0.5
53.03919	0.5
54.78826	0.5
55.01850	0.9
55.05496	1.3
59.04985	0.7
65.03917	1.9
67.05470	1.7
68.99796	1.0
69.03416	0.9
69.62300	2.8
71.04970	0.7
79.05479	1.1
81.03391	1.2
81.07055	3.0
89.03905	0.7
89.06010	0.6
89.60574	0.5
89.91113	0.5
91.05453	2.4
93.03371	2.2
93.07027	1.2
95.04933	1.2
95.08582	1.8
97.06530	0.8
98.20699	1.0
105.06985	1.6
107.04933	0.7
107.08572	1.1
109.06488	0.7
109.10155	1.6
111.04400	2.0
111.07996	0.6
112.01598	0.7
117.03306	1.1
117.06984	0.8
119.04909	0.7
119.08594	0.9
121.10104	0.7
123.11655	1.3
125.05985	4.0
127.00212	1.1
127.03912	0.7
131.04958	0.6
133.10156	0.7
135.04414	0.6
135.11710	0.8
137.05962	0.9
139.00183	0.9
140.00992	0.8
144.05733	2.7
145.06519	1.2
145.10158	0.7
147.04378	0.6
147.08046	0.6
147.11630	0.7
149.05991	4.0
151.03923	21.3
151.05035	1.6
153.01808	0.9
153.05479	11.5
161.06010	0.8
165.01811	0.8
168.00543	7.2
169.01329	6.9
171.04391	2.2
177.05484	8.1
182.07358	0.6
183.02916	6.9
183.08066	0.8
186.01694	3.0
193.12175	0.8
195.06514	5.9
197.06084	0.9
206.07207	1.5
207.08037	0.9
210.06769	0.8
211.07608	1.1
213.05356	0.7
220.05190	1.9
221.06030	3.8
222.06760	1.0
223.09796	0.6
234.06721	2.5
235.07610	5.7
237.05458	1.5
237.11327	1.2
238.06296	4.3
239.07101	1.0
240.07866	3.3
252.07857	1.3
258.04953	0.8
261.05563	1.3
263.07089	0.7
265.04953	1.1
266.05811	0.9
267.06467	1.2
269.04443	1.7
270.05048	0.7
283.05927	3.2
284.06711	1.6
285.03931	1.1
286.04651	8.2
294.05234	1.6
299.09195	1.3
301.03592	1.2
301.07025	12.5
303.06403	1.5
309.03989	8.8
309.07446	1.0
310.04846	2.2
311.05490	7.4
312.06299	29.9
313.06873	0.8
314.04254	2.0
315.06708	0.9
318.08908	1.7
327.08655	100.0
328.09094	0.8
329.06592	5.1
331.05902	1.0
332.06668	0.9
335.05664	0.8
337.03363	0.9
338.04227	9.1
342.05127	0.8
343.06509	0.9
349.07239	2.7
353.06610	24.0
356.06857	1.7
359.05408	2.6
360.06415	4.1
361.07327	0.6
371.07559	0.7
373.07196	2.5
374.07770	1.8
375.08679	1.8
377.06607	5.0
385.07211	1.1
387.05103	0.6
388.05765	5.9
389.06232	1.0
391.08347	1.0
392.09036	1.2
399.24384	0.5
401.06628	0.9
402.07379	5.1
403.08151	9.1
405.06073	5.1
407.11465	1.1
415.08093	0.7
417.09698	8.2
419.07767	1.2
420.08408	9.9
435.10788	58.1
436.11099	0.9
444.08322	1.3
459.31067	1.7
477.11853	72.3
477.31708	1.5
478.12411	0.6
495.12448	2.0
495.18277	2.0
495.22366	1.6
495.33652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84625	0.9
55.01882	1.0
55.05507	2.7
57.03448	1.2
67.05507	4.2
68.99785	1.3
69.03429	1.6
69.07069	3.2
69.42564	4.2
69.42987	2.5
70.57748	0.8
79.05492	3.6
81.03434	2.5
81.07062	5.9
83.04974	1.5
83.08633	2.0
84.97757	0.9
85.02879	2.3
85.06531	1.1
86.86783	0.9
91.05493	3.9
93.07078	4.8
95.04966	6.2
95.08624	4.5
97.06556	2.7
97.10165	1.5
98.20609	1.7
99.08083	1.4
105.07018	1.6
107.04945	1.2
107.08599	3.0
109.02891	1.7
109.06511	2.2
109.10168	3.1
111.04427	1.2
111.08064	1.1
112.01601	1.5
117.07034	1.1
119.08574	3.5
121.02887	2.3
121.06521	1.2
121.10136	2.4
122.03647	1.6
123.04448	12.5
123.11736	2.5
127.03931	1.6
131.04977	1.2
133.10129	2.2
135.11653	2.6
137.05994	21.9
147.04395	1.5
147.11674	1.6
153.01794	1.1
157.10205	1.0
159.11769	1.6
161.06026	1.1
165.05560	1.9
165.09140	1.0
168.00563	5.9
169.01321	7.1
180.10173	1.2
183.02905	15.3
185.00754	2.6
186.01637	4.3
193.12297	1.7
201.05460	1.5
205.06458	1.5
207.08078	1.1
212.04713	0.9
216.27773	1.0
220.05206	1.0
221.05946	7.2
222.06567	0.9
225.05666	1.4
227.07115	1.1
233.06056	1.3
234.06728	1.5
235.07509	3.6
237.05489	3.7
238.06291	3.5
239.07034	1.4
240.07921	3.8
245.04442	1.1
247.04005	1.1
248.08348	0.9
250.06122	1.1
251.06987	1.5
251.45561	0.9
252.07906	2.0
253.08594	2.0
254.09520	1.4
261.05292	1.6
265.04999	1.0
267.16058	1.3
269.04529	2.5
270.05057	1.5
271.05997	1.0
279.06525	1.9
281.04279	1.1
282.05347	1.4
284.03171	1.8
293.08072	1.3
298.04663	3.0
299.05353	2.2
301.03464	1.5
309.03995	3.0
310.04678	12.2
313.07050	3.0
314.07910	1.7
316.05777	8.2
325.07089	6.6
326.04199	1.2
327.05087	2.3
329.10486	2.0
331.08273	20.1
332.06802	1.2
333.07852	1.2
341.06625	12.3
342.07300	3.3
345.07678	1.2
349.07074	2.8
357.09738	37.5
359.08118	1.9
360.06177	8.0
368.05365	2.2
373.07156	2.0
374.07837	1.6
375.08655	9.5
377.07144	2.1
383.07489	5.8
384.06149	1.2
385.07358	1.5
387.04944	2.3
388.05750	6.7
389.06384	1.9
391.08292	1.6
399.08871	1.1
401.06561	1.1
402.07422	4.4
403.08185	20.2
405.06009	3.6
416.08774	1.6
417.09692	13.5
419.07825	2.3
420.08377	10.7
434.10007	2.4
435.10779	35.1
449.12357	51.7
477.11850	100.0
494.38840	1.1
495.12598	5.6
495.29443	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	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.98335	0.6
55.01856	1.8
55.05514	5.4
57.03438	1.7
57.07061	1.0
59.04986	1.0
61.02908	1.1
64.94147	0.7
67.05500	5.6
69.03143	0.7
69.03440	7.9
69.07086	3.8
69.15778	3.9
69.16215	2.9
71.04987	2.6
73.02903	0.8
79.05508	3.1
80.25625	0.8
81.03428	7.0
81.07063	5.1
83.04977	2.1
83.08618	3.4
85.02441	0.9
85.02918	14.7
85.06561	5.9
87.00848	5.3
91.05464	1.7
93.07060	7.6
95.04978	4.9
95.08613	18.5
97.02901	6.7
97.06506	2.2
99.04460	7.3
99.08101	40.2
101.05983	1.8
103.03910	0.8
103.64764	0.6
105.01881	6.4
105.07018	2.7
107.08601	9.9
109.02887	6.6
109.06524	1.4
109.10170	18.7
111.08091	1.4
115.07571	1.1
119.08595	5.1
121.10152	3.8
123.08080	0.9
123.11699	4.0
125.09641	2.5
127.03934	10.3
127.11203	0.9
129.01797	1.0
133.10144	9.3
135.11702	15.4
137.06009	5.4
137.09625	8.5
138.06284	2.2
145.04990	5.2
145.07581	1.4
146.08353	0.9
147.02853	0.7
147.09181	3.5
147.11700	0.9
149.13257	2.6
151.07544	1.0
151.11188	1.6
151.14830	2.3
153.12743	4.5
155.10675	8.3
159.02893	3.7
159.09157	1.3
163.07509	0.8
163.14857	1.7
163.91743	0.7
165.16396	1.9
167.14368	0.8
173.07054	0.8
175.14816	9.2
181.15866	1.2
185.10780	0.8
191.08173	12.5
193.15897	33.3
195.17412	1.4
211.16948	100.0
212.17180	0.9
213.43106	0.7
216.07684	2.1
219.57364	0.6
229.18156	3.5
231.05016	2.9
245.12810	1.0
249.06032	1.4
263.13843	1.1
268.08249	0.9
271.10974	0.9
287.80621	0.7
289.11896	1.0
307.12897	4.7
308.29919	0.7
332.08633	1.2
350.13501	1.0
373.08334	0.7
389.16714	1.1
423.19907	1.2
432.17868	0.8
441.21280	1.1
450.18124	0.7
451.17252	2.6
459.22311	36.1
461.26984	0.7
494.17679	13.4
495.18542	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29029	0.4
53.03936	1.1
55.01871	0.6
55.05511	1.2
57.03439	0.5
62.90070	0.5
67.05490	1.6
69.03442	2.8
69.07063	1.5
70.06582	0.7
71.04988	1.4
72.08152	0.6
75.50732	0.6
79.05474	2.0
81.03413	2.0
81.07049	2.3
83.04940	0.6
83.08611	1.0
85.02908	5.2
85.06564	0.7
86.09702	0.7
87.00809	1.7
87.22116	0.5
91.05479	1.8
93.07050	3.7
95.04955	1.3
95.08617	3.6
97.02892	3.3
97.06526	1.8
99.04436	0.9
99.08109	0.6
101.06038	0.6
104.78329	0.6
105.01870	1.0
105.07034	4.8
106.02931	1.4
107.04971	0.7
107.08591	5.4
109.02882	2.6
109.10166	2.5
111.08092	0.6
119.08591	6.7
120.08086	0.7
121.10139	2.2
123.08057	0.7
123.11729	0.9
124.03951	3.6
125.09592	0.8
127.03944	3.0
131.08586	5.1
133.10121	5.5
135.11671	3.6
137.02348	0.6
137.05931	1.2
137.09604	0.7
138.05504	1.4
140.07100	1.0
145.05020	0.9
145.10135	1.5
147.04405	1.0
147.11681	3.8
148.05142	0.6
149.09630	2.5
149.13297	0.8
151.11229	0.8
155.10638	1.3
159.02882	1.0
163.03928	1.8
163.11156	0.7
163.14827	1.3
165.09105	0.6
168.00528	0.7
168.06540	0.8
175.14845	8.6
177.05515	1.4
185.00874	0.8
188.03796	5.9
191.10658	1.5
193.15901	6.3
209.11774	5.7
209.15381	0.9
211.13470	0.8
211.16962	6.9
221.05899	0.5
227.16373	0.5
229.14444	0.6
229.18018	4.2
231.04987	0.9
245.04440	3.2
246.04831	3.4
246.17807	0.6
257.04013	1.2
258.05176	0.6
268.08179	1.2
269.04593	0.7
270.04922	1.4
271.05637	1.4
272.06589	0.6
273.03986	4.4
274.04315	6.6
284.03119	1.2
285.03485	3.0
286.09088	1.6
287.05597	1.4
288.05820	1.6
298.04645	1.5
299.05228	3.1
300.05786	2.3
301.03424	4.3
302.03735	7.5
314.26407	0.6
315.04974	1.5
316.05728	16.8
317.06137	34.7
331.02277	0.7
331.04083	1.2
331.08136	36.5
332.08484	100.0
333.08795	1.0
359.44138	0.5
420.58490	0.6
426.52240	0.5
494.26480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
53.17990	0.9
55.05504	4.9
57.03431	2.3
57.07086	1.5
61.02906	1.1
65.03936	1.1
67.05516	5.6
69.03438	9.5
69.07076	6.8
70.15185	1.5
70.15578	2.3
70.23122	0.8
71.04990	3.3
76.57050	0.9
78.03468	11.1
79.05495	6.6
80.05015	2.9
81.03426	16.2
81.07059	17.6
83.04984	3.7
83.08633	2.6
85.02914	9.7
85.06548	2.5
87.00813	1.9
88.31268	0.8
91.05481	4.7
93.07053	11.6
95.04977	14.5
95.08625	9.0
96.04469	2.7
97.02889	5.5
97.06534	5.8
99.04454	5.8
102.67293	0.9
105.01884	2.0
105.07046	11.5
106.02925	42.9
107.08604	14.5
109.02891	9.6
109.06529	22.4
109.10171	14.9
111.08105	1.1
115.07574	1.1
117.07039	2.1
119.08613	8.8
121.10152	13.0
121.46655	0.9
123.07306	0.8
123.08078	4.9
123.11724	6.2
124.03967	100.0
125.04239	1.1
125.09642	1.0
127.03934	7.2
127.98766	0.9
129.09102	0.9
131.08571	6.0
133.10150	30.7
135.08063	5.2
135.11708	9.0
137.05925	1.2
137.09608	1.6
139.11185	2.0
145.10152	4.2
147.11696	6.2
149.09572	1.1
149.13271	9.0
151.11179	1.5
153.09132	6.9
156.10287	0.9
158.10916	3.8
163.14825	3.2
165.12740	4.9
166.05020	1.0
167.14288	1.6
173.13281	22.0
175.14886	8.1
177.05499	1.2
191.14328	24.7
193.15938	10.9
209.15363	8.5
211.16972	11.1
227.16368	1.7
232.06012	2.7
250.07143	17.1
268.08191	53.9
284.07639	1.9
286.09241	8.2
298.04861	1.7
299.04990	2.0
301.03363	1.6
302.03799	3.9
316.05853	1.7
317.06241	2.8
331.08179	7.0
332.04797	1.6
332.08487	21.5
372.12207	0.9
476.22766	8.2
494.24075	9.1
495.18570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01872	4.0
55.05515	7.2
57.03442	4.4
57.07084	2.4
61.02924	3.8
67.05518	13.0
67.51122	1.6
69.03444	18.9
69.07073	12.5
69.42075	5.5
69.42500	7.0
71.04991	6.2
73.02938	3.7
77.18156	1.8
78.03469	3.0
79.05499	7.1
81.03423	14.1
81.07065	18.0
83.04995	3.2
83.08627	6.2
85.02922	42.5
85.06560	4.3
87.00838	11.9
89.24144	1.5
91.05489	5.1
93.07056	12.6
95.04962	3.9
95.08067	3.3
95.08620	43.6
97.02899	12.6
97.06519	4.8
97.10176	3.1
99.04453	7.9
99.08106	7.7
105.01881	11.3
105.07054	13.8
106.02952	17.4
107.08614	25.8
108.08955	2.2
109.02881	14.1
109.06517	7.5
109.10181	39.6
111.08080	3.8
111.11678	3.2
113.09661	2.0
115.07530	2.8
119.08601	24.0
120.51018	1.5
121.10168	18.8
123.08064	5.0
123.11727	6.8
124.03974	37.0
125.09641	3.4
127.03931	22.5
131.08572	2.0
133.10155	33.7
135.11711	37.7
137.09627	11.8
138.09143	2.0
139.11176	3.2
141.55569	1.9
145.04961	8.0
147.11694	6.2
149.13272	9.6
151.11230	4.8
151.14825	5.5
156.06184	1.4
156.10191	3.4
159.02908	5.0
163.14824	3.9
165.16417	4.3
173.13304	4.2
175.14857	56.1
177.16403	2.8
179.14352	2.7
181.15916	2.5
191.14317	3.9
193.15927	68.3
195.17691	2.2
209.06026	2.0
209.15340	2.8
210.15785	2.6
211.16986	78.2
226.06004	3.8
227.06761	3.7
229.18015	10.3
231.04990	4.9
249.06148	2.0
250.07124	4.2
268.08215	25.5
270.05383	1.8
273.03958	2.1
274.04315	3.1
282.60132	2.0
286.09158	4.0
298.04712	5.6
299.05084	13.4
301.03500	7.6
302.03806	17.0
316.05646	8.7
317.06223	14.2
331.04218	2.2
331.08167	36.4
332.08517	100.0
388.84650	1.6
396.37738	1.8
423.19897	3.1
494.23825	4.9
495.18372	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	493.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01865	12.3
55.05518	36.5
57.03448	21.8
57.07065	3.5
65.03940	5.2
67.05511	64.2
69.03424	5.6
69.07080	17.2
71.01363	3.9
71.04999	7.7
71.52079	3.8
79.05498	77.5
81.03426	51.2
81.07064	71.7
83.01339	8.8
83.04984	43.2
83.08630	22.2
85.02907	7.1
85.06561	4.0
91.05492	97.2
93.07056	74.5
93.14892	3.0
95.04980	28.5
95.08611	30.7
97.02895	7.2
97.06539	13.2
97.10150	6.6
105.04516	4.4
105.07035	62.3
107.04977	26.1
107.08603	27.9
109.06533	19.7
109.10162	7.2
111.04459	6.2
111.08045	9.1
117.07012	14.8
119.08595	37.6
121.06518	5.6
121.10123	20.9
123.08073	8.8
125.09641	4.7
129.06992	21.0
131.08569	26.8
133.10162	44.1
135.08089	6.1
135.11723	15.2
137.09590	4.8
141.00078	2.9
143.08577	3.3
145.10138	21.6
147.08084	8.5
147.11702	27.4
149.09576	7.4
153.12730	3.8
157.10124	26.9
163.11191	36.2
171.11710	3.3
173.09619	4.3
175.11203	20.8
179.53699	2.9
181.12291	6.4
187.88879	3.1
191.10660	5.9
193.12277	40.6
198.70624	2.8
209.11751	14.2
211.13342	12.3
227.12837	19.7
265.14224	6.0
267.15945	100.0
283.15424	63.2
284.80743	3.3
331.08014	8.9
457.26022	5.9
475.26920	95.0
493.28162	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2801
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.12391	1.0
53.03951	3.9
55.01883	10.3
55.05518	22.4
57.03446	11.9
57.07074	1.3
59.04998	5.4
65.03942	2.3
67.05178	2.0
67.05512	24.9
69.03439	3.9
69.07070	8.9
71.01377	1.3
71.04997	7.3
71.52240	2.1
79.05502	34.5
80.72851	1.0
81.03426	49.7
81.07071	30.6
83.01344	5.0
83.04993	17.0
83.08627	24.3
85.02911	20.9
85.03438	1.2
85.06560	2.7
89.06046	1.6
91.05492	33.2
93.07054	37.9
95.04983	23.8
95.08618	14.3
97.02906	3.7
97.06540	6.4
97.10178	6.4
99.04457	1.5
101.06050	1.1
103.05473	1.8
103.90924	1.0
105.07043	22.7
107.04958	10.4
107.08611	18.7
109.06517	8.0
109.10168	6.1
110.55587	1.0
111.04478	4.5
111.08092	9.8
113.06029	2.0
113.76104	1.1
115.05409	1.8
117.07031	7.0
119.08595	18.9
121.06527	5.0
121.10167	11.2
123.04469	1.2
123.08073	9.4
125.06004	1.8
125.09653	3.7
129.06999	7.9
130.07828	1.1
131.08586	10.2
133.06544	2.5
133.08624	1.6
133.10164	8.9
135.08072	1.7
135.11732	12.0
137.09633	3.0
143.08557	2.0
145.10123	14.6
147.08078	4.3
147.11723	6.6
149.09662	4.6
149.33130	1.1
151.07506	1.2
153.12738	2.5
157.10138	11.0
159.11703	1.4
163.11218	20.2
165.12833	2.1
169.65854	1.2
173.09593	3.2
175.11214	9.0
181.12321	3.3
191.10721	3.2
193.12271	38.4
209.11752	8.5
211.13312	50.8
227.12834	4.7
250.98788	1.2
267.15988	5.6
283.15582	4.0
289.05365	2.1
331.08319	2.2
383.22223	3.5
401.23270	2.7
457.25708	1.4
475.26743	6.4
488.08105	1.4
493.28140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1345
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.64301	0.3
69.63889	0.3
70.66906	0.7
80.00092	0.3
85.02893	0.4
97.02879	0.3
103.18594	0.3
121.02792	0.3
124.21375	0.3
134.03627	0.4
143.28403	0.3
145.04773	0.3
148.05156	0.5
168.00546	0.8
169.01341	0.7
171.35887	0.3
194.02136	0.3
214.57970	0.4
245.04503	3.5
256.03690	1.3
266.22592	0.3
269.04379	0.9
270.05252	1.1
271.06024	0.6
273.03955	6.8
278.80826	0.3
283.99176	0.3
284.03235	1.6
285.04236	0.3
287.05469	1.3
288.06174	0.4
290.90686	0.3
298.04739	2.6
299.05496	1.5
301.03439	10.9
315.04950	3.0
316.05789	32.9
317.05920	0.4
331.08136	100.0
332.08539	1.2
434.80960	0.3
493.13019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1345
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
52.26904	0.1
57.03421	0.2
67.05493	0.2
68.99777	0.3
69.03419	0.6
81.03429	0.4
81.07063	0.4
82.10349	0.1
85.02890	0.7
87.04514	0.2
91.05468	0.2
95.08603	0.3
97.02877	0.2
98.20624	0.3
99.04476	0.2
105.07032	0.2
107.08576	0.3
109.02924	0.2
109.10149	0.3
121.10112	0.3
123.04431	0.2
124.05206	0.3
127.03906	0.2
131.04910	0.2
133.06366	0.2
133.10100	0.1
134.03639	0.6
135.11736	0.2
136.01543	1.3
137.02386	0.2
137.05975	2.0
151.03905	0.7
151.07539	0.4
153.01813	0.8
154.02643	0.8
163.07568	0.3
164.01045	0.6
165.01839	0.2
182.02098	3.0
183.02892	0.6
194.02089	0.2
195.07954	0.3
197.04440	0.5
200.03168	1.3
200.04727	0.2
209.15332	0.3
217.04912	0.8
227.16319	0.3
228.04179	0.7
229.04958	0.3
229.26953	0.2
243.06540	0.3
245.04463	2.8
246.05132	0.2
257.04462	0.4
258.05240	0.3
261.07492	0.4
269.04419	0.3
270.05252	0.3
271.06174	0.3
273.03961	6.4
285.03989	0.4
286.04504	0.3
287.05524	1.2
287.12637	0.4
288.06332	1.7
298.04660	0.6
299.05463	0.4
300.02707	0.4
301.03445	12.9
302.03928	0.4
315.05008	8.2
316.05789	35.6
317.06128	0.5
331.08130	100.0
332.08478	1.0
384.64172	0.2
493.13409	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.1
55.05496	0.1
57.03423	0.1
57.31398	0.1
61.02920	0.1
67.05501	0.1
68.99789	0.3
69.03445	0.4
69.07053	0.1
69.62285	0.6
71.04970	0.1
79.05466	0.1
81.03413	0.2
81.07030	0.2
83.04973	0.2
83.08603	0.2
85.02908	1.0
85.06540	0.1
86.09693	0.2
86.26813	0.1
91.03915	0.1
91.05438	0.1
93.07027	0.2
95.04951	0.1
95.08586	0.1
95.18462	0.1
96.46843	0.1
97.02885	0.3
97.06493	0.1
100.86810	0.1
105.03413	0.3
105.07026	0.1
107.04941	0.2
107.08581	0.2
109.02866	0.2
109.06505	0.1
109.10130	0.2
111.08071	0.1
119.08624	0.1
120.08064	0.1
121.10124	0.2
123.11733	0.1
124.03955	0.1
127.03884	0.4
131.04927	0.3
133.02931	0.3
133.10081	0.3
134.03645	0.2
134.10464	0.1
135.04417	0.3
135.08078	0.1
136.07590	0.1
137.02333	0.1
137.05972	0.2
139.00342	0.1
140.00981	0.1
145.04939	0.2
146.11806	0.2
147.04445	0.1
147.11635	0.1
148.05176	0.6
149.05975	0.2
151.03911	0.1
151.07587	0.1
151.11169	0.2
153.01822	0.3
163.14799	0.1
164.07082	0.1
166.99792	0.3
167.03439	0.3
168.00526	0.8
169.01335	0.6
175.03888	0.2
177.05475	0.1
179.03394	0.1
182.02094	0.4
183.02921	0.2
185.00867	0.5
185.02263	0.1
186.01558	0.3
191.14259	0.2
192.14680	0.1
194.02155	0.5
199.03879	0.1
200.04703	0.4
203.03384	0.1
209.15378	0.3
210.15697	0.4
214.06331	0.1
217.05017	0.2
227.03391	0.1
227.16380	0.2
228.04184	0.2
228.16733	0.1
229.04921	0.2
229.15686	0.1
241.04961	0.2
242.05690	0.4
243.06561	0.1
245.04474	4.8
245.17451	0.2
253.04974	0.2
255.02921	0.2
256.03696	1.2
257.04465	0.2
258.05261	0.2
259.06006	0.3
260.06839	0.3
269.04474	1.0
270.05280	1.2
271.06036	0.7
271.10797	0.3
273.03961	8.0
274.04214	0.1
275.09201	0.2
280.03525	0.1
281.04495	0.2
283.02158	0.1
284.03159	2.5
285.03940	0.6
285.07458	0.2
286.04810	0.2
287.05484	1.3
287.08508	0.2
288.06485	0.5
295.11008	0.1
297.04114	0.2
298.04739	2.6
299.05508	2.0
301.03458	8.2
302.03922	0.1
313.06876	0.1
313.11887	0.2
315.05029	3.4
316.05795	35.4
317.06149	0.3
331.08130	100.0
332.08484	1.1
493.13507	0.2
493.26895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2802
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02381	0.8
52.76151	0.8
53.03955	4.6
54.34519	0.8
55.01881	9.4
55.05518	22.6
57.03445	9.4
57.07075	1.1
59.05000	3.5
65.03947	1.9
67.05508	22.1
69.03421	3.3
69.07080	7.7
70.63925	1.8
70.64294	1.6
71.05009	5.1
79.05498	33.1
81.03424	50.8
81.06593	1.8
81.07060	28.6
83.01357	5.9
83.04981	17.8
83.08620	20.4
85.02438	1.5
85.02917	20.8
85.03435	1.0
85.06554	1.6
91.05487	29.4
93.07050	25.7
95.04975	22.6
95.08617	13.0
97.02906	3.7
97.06531	6.2
97.10183	4.3
99.04459	2.2
99.08144	1.0
103.05448	1.3
105.04536	1.3
105.07035	20.6
107.04958	8.7
107.08601	13.2
109.06525	7.9
109.10189	2.6
111.04452	7.1
111.08083	8.2
111.86492	0.8
113.06001	1.0
114.14892	0.8
115.05426	0.9
117.07018	9.1
119.08585	18.1
121.06539	3.2
121.10155	10.0
123.04440	0.9
123.08069	7.9
123.11737	0.9
125.05997	0.9
125.09644	2.4
128.06247	1.6
129.06992	8.6
130.07788	0.9
131.08604	8.3
133.06491	2.8
133.10141	6.8
135.08049	1.9
135.11711	8.2
137.09645	2.0
139.03908	1.0
141.06993	1.4
142.07851	0.9
143.08528	1.0
145.06421	1.1
145.10155	11.5
147.08069	3.3
147.11699	9.8
149.09634	4.3
151.03905	1.6
151.11180	0.9
153.12729	2.8
155.08549	1.7
157.10152	7.4
163.11192	19.5
165.09027	1.0
165.12740	2.2
169.06488	1.3
173.09644	1.9
175.07591	1.0
175.11208	9.8
181.12263	3.6
191.10678	2.5
193.12256	35.7
201.05513	1.6
209.11800	6.7
211.13307	47.5
213.13168	0.8
215.80083	0.9
227.12837	3.1
229.04877	1.0
231.06555	1.6
241.04982	1.6
249.15009	1.2
267.15900	4.4
272.44345	0.8
273.07632	3.4
275.05701	1.3
283.15430	3.3
301.06989	5.1
319.08063	1.2
383.22125	3.1
401.23270	1.4
457.25836	1.6
464.76114	1.0
475.26883	3.8
493.27979	100.0
494.28088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71141	0.6
51.73589	0.7
53.03932	1.6
53.39865	0.7
53.41379	0.6
55.01851	1.4
55.05276	0.9
55.05515	12.4
57.03401	0.8
58.52605	0.6
67.05494	2.0
69.03435	5.3
69.07058	1.7
70.28559	2.4
71.04975	1.9
73.02882	0.7
75.00508	0.6
79.05478	1.7
81.03432	3.2
81.07066	5.7
83.04991	12.3
83.08160	0.8
83.08624	12.2
85.02440	0.8
85.02912	9.8
85.06534	0.7
86.06059	0.8
86.09717	4.3
87.00836	4.3
91.05466	1.8
93.07044	3.4
95.04977	5.7
95.08611	3.5
97.02909	4.0
97.06530	3.4
97.10154	2.3
97.77036	0.5
99.04462	2.3
105.01879	5.0
105.07047	3.2
107.08589	7.4
109.02870	2.1
109.06506	5.1
109.10162	9.5
111.08099	3.2
113.09682	0.6
119.08564	1.9
121.10143	6.1
123.08119	1.1
123.11718	3.9
125.09621	3.3
127.03923	6.0
131.08578	2.1
133.10149	11.0
134.06039	0.7
135.08054	3.6
135.11725	0.9
139.11153	1.2
145.04965	2.2
147.11681	3.7
149.13248	4.0
151.11195	19.1
153.09102	3.6
158.10892	0.8
159.02907	1.7
163.14816	1.7
165.12785	1.1
167.14330	22.5
173.13297	5.1
175.92618	0.6
182.65274	0.6
189.87485	0.6
191.14330	6.6
202.12178	0.7
209.15379	100.0
210.15683	1.1
227.16438	14.7
231.05087	2.0
301.03464	2.6
316.05829	3.4
316.20895	1.1
331.08151	10.4
361.23251	1.5
474.27811	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01861	2.4
55.05513	5.9
55.66727	1.1
57.03431	3.1
59.27879	1.1
62.17402	1.0
63.28655	1.1
67.05496	4.1
69.03426	10.7
69.07056	4.0
70.06564	1.3
71.04998	5.4
71.51609	1.0
73.02914	1.8
79.05475	4.6
81.03421	10.3
81.07062	9.0
83.04976	5.4
83.08604	4.7
85.02906	25.4
85.06547	8.1
87.00826	8.2
91.05476	5.7
93.07048	7.9
95.04971	48.2
95.08597	6.6
97.02899	7.8
97.06522	4.6
97.10152	1.0
99.03844	1.9
99.04453	23.3
99.08070	3.9
105.01880	10.4
105.07036	19.3
106.02901	1.5
107.08601	10.3
109.02868	7.8
109.06536	5.9
109.10168	5.8
111.08038	2.5
113.09621	1.4
117.03370	2.2
119.08582	23.7
121.06484	1.5
121.10160	15.2
123.08057	3.1
123.11713	3.2
124.03922	3.4
125.09619	2.5
127.03924	15.0
127.11192	1.5
131.08585	8.0
133.10138	39.7
135.08034	4.1
135.11659	1.8
137.06027	1.5
137.09616	1.4
145.02837	9.4
145.04953	6.2
145.10075	6.6
147.10672	1.1
147.11688	7.1
149.09637	2.4
149.13298	5.5
151.11168	7.7
153.09116	12.1
154.08640	47.0
158.10907	1.8
159.02905	4.5
161.13254	27.8
163.14830	3.5
167.07129	2.4
167.14317	5.9
173.13268	31.2
177.05469	21.7
179.14333	9.8
181.12306	1.1
189.03838	1.4
191.14326	28.5
197.02847	1.4
197.15364	2.5
203.03394	1.2
209.15378	95.4
212.98195	1.1
227.16426	100.0
231.04979	2.6
268.08179	2.6
300.51636	1.3
316.05695	2.4
321.09595	1.2
331.08063	5.5
338.23532	1.2
339.10727	1.4
345.09241	1.1
346.09848	1.4
346.70370	1.2
365.51471	1.3
366.89655	1.0
425.08466	3.2
439.19574	1.8
457.20670	4.0
475.21521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1349
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.96436	0.3
53.03955	0.4
55.01877	0.4
57.03434	1.0
68.26306	0.3
69.03424	1.1
69.56791	1.6
70.06599	0.3
71.04980	0.2
72.08168	0.3
79.05518	0.6
81.03391	0.5
81.07056	0.4
83.04965	0.3
84.08131	0.2
85.02921	2.6
85.06536	0.3
89.03900	0.3
93.07040	0.5
97.02909	0.7
105.07030	0.4
107.08612	0.3
109.02892	0.5
111.04457	0.6
117.03348	0.4
119.08599	0.3
121.06547	0.4
121.10194	0.4
122.10504	0.3
124.03970	0.4
127.03931	0.9
133.10182	0.4
133.99835	0.3
135.04440	1.1
137.05942	0.3
139.03923	0.9
145.02861	1.1
145.10117	0.6
146.03218	0.9
147.11720	0.4
148.12038	0.3
150.03151	1.1
151.03909	0.7
151.11208	0.7
152.01161	0.4
152.11539	0.8
153.05498	0.3
163.11224	1.7
164.04645	0.4
164.11536	1.7
167.03429	8.3
169.12247	0.4
172.05165	0.4
177.05473	3.0
177.21942	0.2
178.05850	2.0
179.03407	0.8
180.06598	0.8
183.04366	0.2
184.03679	0.4
184.05203	0.4
187.07587	0.4
191.03452	2.7
193.04948	0.5
200.04790	0.6
205.05013	0.5
209.11694	0.3
211.03949	0.4
212.04749	0.6
215.07123	0.5
217.05095	1.6
218.05803	1.3
219.06558	2.0
223.35457	0.3
225.05504	0.3
227.12770	0.3
227.16399	0.6
228.04218	3.2
228.16803	0.5
229.04996	0.8
239.03462	0.3
240.03973	0.3
242.05739	1.2
243.06569	7.9
245.04559	0.8
247.05968	0.7
255.06570	0.5
256.03687	1.1
257.08124	0.6
261.07489	0.4
270.05289	0.9
271.06058	9.2
272.06924	0.4
275.09186	0.8
283.02277	0.3
284.03189	2.9
285.07562	1.6
288.06204	0.5
298.04837	1.7
299.05591	8.0
303.09018	0.7
310.23816	0.3
313.06989	1.4
316.05814	5.1
331.08173	100.0
332.08563	0.8
340.11215	0.3
493.17355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
53.84653	1.1
55.01876	3.1
55.05503	6.6
57.03432	2.5
59.71957	1.1
61.02928	1.6
67.05500	4.0
69.03430	9.8
70.06590	1.2
71.04998	7.1
73.02930	1.4
78.05795	1.3
79.05495	1.6
81.03409	6.9
81.07064	8.2
83.04980	5.1
83.08616	4.3
85.02913	19.4
85.06548	6.5
87.00824	6.4
91.05482	3.5
93.07060	7.4
95.04970	82.7
95.08609	6.1
97.02901	7.5
97.06528	3.7
99.04466	21.3
99.08086	4.5
105.01871	8.7
105.07029	14.8
107.08600	7.1
109.02887	7.8
109.06512	4.0
109.10161	3.8
111.08093	3.3
117.03373	1.4
119.08591	18.3
121.10141	9.4
123.08060	1.3
124.03919	3.0
125.05956	1.8
127.03927	13.0
127.07512	1.3
131.08565	6.4
133.10138	30.3
135.08029	2.7
135.11710	1.2
137.05916	1.1
145.02856	4.0
145.04964	4.1
145.10152	4.0
147.11688	4.2
149.09641	1.6
149.13242	6.0
151.11217	6.2
151.14890	1.1
153.09108	23.6
154.08644	24.7
158.10924	1.6
159.02879	2.8
161.13261	24.0
163.14821	3.5
165.09108	1.5
167.14323	3.1
173.13271	26.0
177.05472	11.3
179.14340	7.7
181.12209	1.7
189.03938	2.2
191.14331	20.7
197.15372	2.0
209.15369	100.0
210.15718	1.4
217.40811	1.1
227.16428	99.7
231.05055	1.8
331.08112	2.4
397.09192	1.6
410.34109	1.1
425.08810	2.3
445.92111	1.2
457.20541	4.9
492.22791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
53.87836	1.9
55.01870	7.1
55.05516	7.7
57.03427	4.7
57.07062	4.1
61.02938	3.6
61.20033	2.1
65.03922	4.0
67.05502	11.1
68.99789	4.2
69.03435	21.5
69.07063	6.8
70.84194	3.0
70.84540	5.0
71.05001	4.7
73.02914	5.7
79.05503	19.0
81.03426	21.2
81.07064	46.5
83.04981	17.7
83.08622	3.5
85.02428	4.0
85.02907	40.4
85.06528	5.4
87.00838	23.6
91.05505	12.7
93.07050	22.7
95.04972	60.5
95.08617	14.7
97.02914	23.4
97.06535	13.6
99.04486	19.6
105.01859	19.0
105.07026	27.8
107.08593	34.7
109.02886	17.0
109.06525	87.2
109.10162	30.6
111.08091	4.1
115.07590	2.5
117.01878	3.6
117.06991	3.2
119.08604	22.8
121.10143	28.7
123.08072	7.6
123.11688	12.0
125.09599	3.8
127.03923	40.4
129.07071	3.8
131.08574	18.1
133.10144	84.8
135.08040	10.8
135.11708	8.8
139.11220	16.6
143.08578	3.1
144.09369	3.4
145.04987	21.9
145.10092	10.9
147.11690	17.1
149.09641	4.5
149.13275	24.9
151.11198	8.1
153.09111	26.0
158.10918	9.3
159.02945	12.6
163.11166	4.1
163.14799	6.4
165.12743	5.4
167.10667	3.4
167.14343	3.3
173.13281	67.9
175.14735	3.6
191.14323	100.0
200.70529	2.2
203.14423	2.5
209.15388	72.2
209.17412	4.6
213.04013	3.8
221.71188	2.3
227.16409	23.1
231.05011	9.3
265.92603	2.4
266.97156	2.4
272.51315	2.2
284.31335	2.6
331.14386	2.9
345.60410	2.6
372.71454	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52472	0.5
55.01874	1.0
55.05314	0.7
55.05519	6.7
57.03448	2.7
57.07079	0.9
59.04996	0.8
61.90281	0.5
65.03943	1.4
67.05514	8.5
69.07082	8.5
69.23262	4.8
70.34528	0.4
71.05009	0.9
79.05499	4.4
81.03390	0.8
81.07070	11.1
83.04997	0.9
83.08633	5.3
85.06550	1.2
89.06056	0.6
91.05494	9.7
93.07069	5.5
95.05021	0.8
95.08616	9.1
97.06542	3.7
97.10177	3.6
98.20773	0.9
105.07028	2.5
107.08613	3.1
109.06548	0.5
109.10180	4.1
111.08105	0.6
111.11736	1.7
117.07014	0.7
119.04118	1.0
119.04962	18.8
119.08600	2.5
121.10155	4.1
123.08140	0.6
123.11705	1.5
125.09708	0.7
133.10144	1.6
135.11702	2.9
137.09637	1.4
137.13295	1.2
139.11172	1.1
142.16112	0.6
147.04436	100.0
147.11732	2.1
149.13286	1.0
151.14911	0.6
155.12015	0.5
161.13234	1.1
165.05519	11.7
165.09123	3.2
175.14859	0.7
179.14415	0.9
217.19586	3.5
221.08171	1.2
235.20612	3.1
236.86566	0.5
253.21735	1.0
309.24332	2.6
327.25345	17.4
367.11813	1.0
438.20065	0.6
473.29007	1.8
491.16891	1.9
491.29999	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27597	0.8
53.03937	1.5
55.01862	0.8
57.03431	1.4
67.05502	1.7
69.03445	5.4
69.07066	1.4
70.75496	2.0
71.04992	1.1
73.02912	0.8
79.05475	2.7
81.03417	3.3
81.07052	3.3
83.05003	1.2
83.06364	0.7
85.02904	5.5
85.06545	1.0
87.00841	1.4
87.04482	6.4
89.03922	2.7
89.06040	1.4
91.05473	1.9
93.07053	5.4
95.05016	1.5
97.02895	5.8
97.06511	1.3
99.04474	1.3
105.01862	1.3
105.07056	5.0
107.08604	3.7
109.02848	2.1
109.06503	2.4
111.08058	0.9
113.06006	1.3
115.03942	2.4
117.03392	13.1
119.08594	8.1
121.06565	1.5
121.10175	8.4
127.03917	2.3
127.07545	1.2
131.08539	1.3
133.04994	1.8
133.08679	1.3
133.10132	2.9
134.03670	0.9
135.04420	0.9
137.05972	1.1
140.07002	1.1
143.08517	0.9
145.02858	41.3
145.04793	1.7
145.10146	8.8
147.11702	8.1
149.02353	12.6
149.05981	5.2
149.09685	1.2
151.11200	4.1
154.08707	1.0
163.03946	9.9
163.11192	55.3
165.12747	0.9
169.12242	2.1
173.13283	3.1
177.05486	100.0
177.31665	0.9
181.04973	7.8
181.12230	1.0
191.14377	5.0
195.06526	2.4
209.15355	3.6
214.17357	0.9
227.12869	1.4
227.16469	5.3
280.11691	1.1
287.05521	0.9
300.14157	1.2
316.13922	1.4
317.14545	3.0
321.09686	3.3
331.08060	2.7
339.10812	9.2
401.38785	0.9
492.17157	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	492.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47807	0.5
55.01879	1.0
55.05504	1.5
55.30024	0.5
57.03439	1.1
57.07063	1.0
58.99574	2.2
61.02922	0.9
67.05500	2.3
69.03432	36.8
69.07059	3.0
70.84946	1.5
70.85382	0.6
71.04984	1.8
76.02229	3.5
79.05492	2.3
80.60002	0.6
81.03394	1.2
81.07068	5.1
83.01337	0.5
83.04988	2.7
83.08611	1.3
85.02902	8.5
85.06534	2.6
91.05477	2.0
93.07038	4.1
95.08611	5.8
97.02885	3.8
97.06519	2.6
100.07610	1.3
105.00083	2.1
105.06995	3.2
107.04966	0.7
107.08602	10.6
107.84769	0.6
109.02878	1.3
109.06522	3.8
109.10173	1.7
111.08093	2.7
116.07053	0.8
119.08614	3.5
121.06490	1.8
121.10149	13.2
122.02731	23.5
123.08087	1.9
123.11720	7.7
125.08781	1.0
125.09640	17.3
127.03918	1.8
131.08595	4.8
133.10156	3.5
135.08067	8.7
135.11690	5.0
137.09624	0.7
143.08601	0.6
145.04951	1.7
145.10074	3.1
147.11719	2.7
149.09616	8.1
149.13269	3.0
151.11198	1.6
153.09113	5.7
158.10916	2.8
159.09169	0.7
159.11801	0.6
163.03949	0.8
163.11182	1.9
163.14799	4.7
165.05650	0.7
165.12729	3.2
166.08640	0.8
167.05281	1.5
167.10703	2.1
173.13264	17.9
176.12001	0.8
191.14311	64.2
197.23827	0.6
208.03218	0.7
209.15375	100.0
210.15652	0.8
223.11523	4.6
241.12602	5.1
248.05786	0.7
330.17270	11.1
365.81238	0.5
474.20822	0.6
492.22214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34468	0.4
53.03915	0.8
57.03428	0.4
59.04986	0.8
63.02373	0.5
69.03419	2.1
70.04937	1.9
70.06596	0.5
81.03432	3.4
85.02892	1.6
86.09698	0.6
89.03922	4.9
89.06013	2.0
91.05469	0.6
93.07034	0.6
97.02896	0.9
99.04473	1.0
106.04175	0.6
107.08582	0.8
109.02861	1.1
117.03390	17.4
121.10123	0.8
127.03931	1.0
133.08665	0.5
134.03603	1.1
135.04436	0.9
137.05931	0.5
145.02852	43.8
149.05978	5.9
162.03122	0.5
163.03902	0.7
163.07562	0.5
167.06889	0.5
177.05481	100.0
195.06537	1.1
195.12233	0.8
197.11784	0.6
207.02953	0.6
224.09206	0.6
235.02588	0.5
311.20468	0.4
312.20941	1.0
321.09613	2.5
329.18796	0.6
339.10803	6.1
414.10291	0.5
491.15884	0.9
491.24503	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	491.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94634	1.0
51.02377	1.4
53.03948	7.6
53.80227	0.9
55.01633	1.1
55.01879	18.1
55.05516	37.1
57.03439	8.9
57.07076	2.5
59.05008	6.9
65.03938	2.9
67.05510	31.1
68.79090	0.9
69.03410	3.4
69.07075	11.0
70.07558	1.7
70.07960	2.4
71.01358	2.3
71.04993	8.5
77.03928	1.9
79.05499	46.0
81.03423	26.2
81.06594	1.9
81.07062	36.2
83.01348	15.0
83.04497	1.3
83.04992	27.3
83.08162	1.2
83.08627	19.5
83.50826	0.9
85.02902	6.9
85.06536	3.1
91.05489	36.9
91.58284	1.0
93.07050	53.6
95.04969	15.3
95.08607	19.4
97.02887	5.4
97.06532	13.9
97.10187	5.4
99.04462	5.1
99.08126	1.1
103.05461	2.1
105.04497	1.9
105.07034	21.7
107.04964	18.8
107.08598	26.1
109.06519	15.3
109.10130	4.6
111.04466	6.2
111.08073	3.7
113.05993	1.0
115.05425	2.8
117.07034	18.1
119.08589	20.5
121.06528	9.5
121.10155	17.2
123.08080	15.1
123.11702	1.2
125.05975	3.5
125.09604	3.4
128.06282	1.1
129.07013	3.7
130.07791	2.9
131.04967	1.0
131.08575	8.2
133.10118	5.8
135.08035	4.2
135.11702	28.4
137.09601	3.6
139.07506	1.7
143.08548	3.0
145.06497	1.9
145.09065	1.9
145.10133	30.0
147.07990	4.8
149.06075	1.5
149.09633	3.8
153.09163	1.1
153.12762	12.0
155.08530	3.2
157.10049	0.8
159.99831	0.9
161.13332	0.9
163.11192	61.7
165.09058	1.1
173.09650	7.8
181.12250	11.5
189.11224	1.2
191.10680	9.3
209.11728	22.7
219.13676	1.3
227.12767	14.3
265.14304	1.5
283.15530	1.8
297.25525	0.9
359.53128	1.0
367.22797	1.6
379.11621	1.3
385.23581	1.5
403.17670	0.9
459.27350	4.1
473.19193	1.1
491.26346	100.0
492.26233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
57.03438	3.0
59.05009	55.0
67.05498	1.1
69.03435	3.7
70.06589	3.2
70.29090	1.0
71.04982	1.1
71.52282	1.4
72.08152	1.1
73.02967	1.0
79.05498	1.4
80.96962	0.9
81.03416	2.1
81.07079	1.2
82.06598	1.4
85.02910	7.8
86.09704	1.8
86.95447	0.9
87.04489	3.2
89.06040	85.7
91.05466	1.9
97.02912	7.2
97.06526	1.3
99.04462	2.9
100.07601	2.9
103.07595	3.4
107.07079	3.7
109.02879	1.2
113.12025	1.1
116.07111	2.3
117.06961	1.3
117.09129	4.5
119.04924	1.9
119.08553	1.3
124.03964	1.3
127.03923	4.8
129.10336	1.1
131.04982	1.2
133.06514	1.6
133.08618	31.0
137.05949	1.1
145.04973	1.8
145.07591	1.7
146.08177	3.2
147.04446	2.2
147.10185	2.2
149.05991	2.4
151.09689	5.1
161.06012	1.2
161.11729	2.0
175.03935	1.5
177.05400	2.3
177.11230	11.5
179.07050	4.8
192.70743	1.1
195.12302	75.1
207.02887	1.5
207.06566	1.9
253.16479	29.0
311.20667	100.0
313.11804	5.7
408.04373	3.9
472.20978	1.7
490.23318	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	490.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28317	4.0
51.44297	4.1
55.05515	8.1
67.05510	24.4
69.07066	14.7
71.08635	4.6
79.05492	15.6
81.07057	44.5
82.48502	3.5
83.08606	12.2
85.06532	4.2
87.43239	3.6
91.05507	6.2
93.07054	27.4
95.08612	56.7
96.67271	3.7
97.06503	6.8
97.10184	7.2
99.04461	7.1
105.07017	18.5
107.08601	44.9
109.10168	51.0
110.36311	4.2
111.08076	5.7
119.08569	23.2
121.10154	32.9
123.11738	25.8
130.40349	3.7
131.08534	8.7
133.10135	23.3
135.11699	13.3
137.13257	7.4
145.10153	12.9
147.11702	19.3
149.13251	13.7
157.10120	6.1
157.57587	3.9
158.71300	3.7
159.11693	15.3
161.13281	11.9
163.11244	3.4
163.14807	11.5
171.11707	5.2
173.13300	8.3
173.35007	4.0
175.14819	11.0
177.16374	23.9
185.13167	4.5
187.14847	14.7
189.16417	11.9
191.17970	7.8
201.16383	14.6
203.17941	11.2
213.16307	9.5
215.18013	6.7
217.15770	4.6
217.19501	5.7
219.17493	6.3
227.17917	4.5
231.17409	3.9
235.16820	7.2
239.50450	4.1
257.22577	4.3
259.17200	4.1
263.19928	6.0
271.24136	5.5
409.34714	11.4
419.32855	9.2
427.35602	49.9
437.34222	39.0
455.35312	62.2
473.36368	100.0
489.59763	4.1
490.36310	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	491.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	0.4
57.42189	0.3
62.65497	0.4
70.06573	0.4
70.49443	0.4
71.04945	0.5
71.52047	0.5
77.34325	0.3
79.73007	0.4
81.03381	0.4
85.02874	0.6
87.04477	0.4
90.47250	0.4
93.07037	0.5
94.06559	0.7
97.02862	0.6
99.04420	1.1
107.07357	0.7
107.08528	0.6
120.08105	0.8
121.10087	0.9
122.06050	0.4
122.55418	0.4
123.11671	0.4
127.03921	0.8
132.08052	1.6
134.05994	0.7
137.09552	0.5
140.07007	0.9
145.02785	0.4
146.05997	0.7
147.04355	0.4
147.06721	0.4
147.11636	0.4
148.07596	1.4
162.06802	0.4
165.12769	0.4
168.06529	1.3
173.07172	0.5
173.10793	0.4
174.07910	3.1
175.08661	1.4
177.05466	0.5
188.09451	0.7
198.09225	0.7
199.08623	1.3
199.12270	0.5
200.09396	1.0
201.06595	0.5
201.10252	3.2
202.10805	0.6
205.04706	0.8
207.06448	0.4
210.09193	0.5
211.08707	0.7
212.10739	0.6
213.10263	0.9
214.10814	0.9
215.11823	5.0
216.12575	1.1
225.10284	1.2
225.14938	0.4
226.08835	0.5
226.10982	1.1
227.08177	1.4
227.11778	4.3
229.09785	3.4
229.13373	2.4
239.11813	2.5
241.09721	1.2
241.13396	1.2
242.10493	2.1
243.11308	2.6
243.15936	0.5
244.12109	1.7
248.55746	0.4
253.13336	1.6
255.11362	3.1
257.12878	2.8
264.20892	0.4
269.12903	3.1
270.13489	0.5
271.14429	0.6
273.12347	2.3
281.12872	3.2
283.10852	1.1
287.13928	5.5
288.14639	1.3
297.12347	2.7
298.13129	1.6
299.13925	26.8
301.11868	0.8
315.13416	16.0
316.14203	66.1
317.14767	1.0
322.41281	0.5
355.04736	0.4
385.14255	0.5
429.16666	0.4
431.14526	1.8
463.16931	0.9
491.16650	100.0
492.17221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.5
53.03940	0.7
55.05510	2.3
56.00486	0.4
67.05506	8.9
67.14975	0.4
69.03423	2.2
69.07063	1.4
69.70959	1.0
69.71368	2.1
70.04086	0.8
71.05000	2.9
72.08162	0.5
73.06546	0.8
79.05495	1.9
81.03425	1.1
81.07060	5.8
83.04986	0.9
83.08620	1.2
85.02904	3.2
85.06566	0.8
87.00848	1.1
91.05489	1.3
93.07040	1.7
95.04971	4.0
95.08604	3.2
97.02892	4.0
97.06554	1.4
99.04465	7.7
105.01859	0.7
105.07053	2.8
107.08615	6.3
109.02882	0.6
109.06531	7.0
109.10165	100.0
112.28696	0.5
113.70580	0.4
119.08575	2.7
121.10146	2.7
123.04440	0.6
123.08067	5.3
123.11749	1.6
125.05936	0.6
125.09657	1.8
127.03951	2.6
131.08565	1.6
133.06430	0.7
133.10136	1.2
135.11713	1.2
136.07646	0.7
137.05899	0.7
137.09644	0.8
143.55130	0.5
145.04985	0.9
145.10127	1.3
147.08034	1.5
147.11716	2.6
149.02341	11.2
149.09644	4.1
151.07564	24.1
152.84567	0.5
156.09480	0.6
161.13307	1.2
163.11230	3.6
165.12817	3.8
167.10698	2.0
175.07594	0.6
175.14774	0.6
177.05510	1.7
183.13824	1.9
189.12762	6.1
193.16023	0.6
203.07092	0.9
207.13815	57.0
221.08118	1.9
225.14879	7.5
249.14923	2.7
250.11166	0.6
273.94293	0.5
293.13943	4.0
404.40964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22107	1.4
53.03936	1.7
66.07999	1.6
69.03415	1.8
70.86420	4.2
73.49731	1.6
81.03404	2.0
81.07056	4.2
85.02923	20.0
87.00808	2.1
88.02805	1.5
88.93378	1.5
91.05507	3.8
95.04993	1.9
97.02911	4.0
105.01865	3.5
105.07044	7.9
107.08592	4.3
109.02879	2.6
109.10153	2.8
119.08590	10.6
121.10182	3.8
123.11734	13.7
127.03935	4.3
130.07712	1.9
131.08588	3.5
133.06473	2.1
135.08047	2.7
143.08510	2.6
143.30850	1.9
145.10120	14.2
147.08080	4.3
147.11707	20.0
149.09633	2.8
156.09358	6.0
159.08168	1.8
161.13216	2.3
171.11729	8.8
177.05501	2.4
189.12761	100.0
207.13806	37.2
225.14856	6.9
352.75092	1.7
408.43115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05516	13.9
69.03429	1.5
69.07096	1.5
73.06567	7.0
81.03438	1.0
81.07073	1.2
85.02913	3.2
85.91750	0.6
91.05492	0.8
93.07038	0.7
95.08628	0.7
97.02905	1.7
99.04440	0.7
100.94589	0.6
109.02859	0.8
109.10224	1.0
121.00330	0.7
121.02892	2.7
121.10191	0.7
123.08054	1.2
127.03912	0.8
128.98380	0.7
129.07036	1.1
131.08559	1.8
145.04991	1.0
149.02357	100.0
152.07114	1.5
161.06000	3.0
167.03432	0.7
175.07562	12.2
177.05542	1.0
185.05978	0.9
189.12772	1.1
203.07047	13.5
207.13678	1.1
221.08131	7.2
275.12811	7.2
293.13843	48.1
311.14951	0.9
314.47897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18853	2.9
50.50325	2.5
53.03955	3.7
55.01891	6.7
55.05513	9.9
57.03441	4.6
57.07065	3.7
65.03931	2.8
67.05519	8.2
69.03447	16.0
69.07078	5.1
70.06583	4.3
71.05003	9.4
71.52252	2.4
79.05505	9.6
81.03425	12.0
81.07078	16.7
83.04988	7.8
83.08624	9.3
84.04516	3.2
85.02926	30.6
87.00838	9.7
87.04486	5.2
91.05494	8.4
93.07059	12.3
95.04987	20.9
95.08646	13.0
97.02907	9.5
97.06544	10.2
99.04471	11.4
105.01891	6.9
105.07025	13.7
107.08605	56.8
109.02911	9.0
109.06538	8.0
109.10188	7.4
111.04440	3.3
116.07143	2.9
119.08605	7.3
121.10150	15.0
123.04456	3.3
123.08093	100.0
123.11711	10.2
125.09653	31.2
127.03952	14.6
131.08606	2.9
132.13683	2.6
133.10135	7.9
135.08023	3.7
135.11743	3.2
137.05991	6.4
137.09569	5.3
139.11192	5.3
145.10132	4.8
147.08051	3.2
147.11703	6.2
149.02397	17.5
149.09647	40.5
150.02707	5.9
151.07541	6.0
151.11221	7.4
159.11748	4.1
161.13304	7.8
165.09166	6.5
165.12740	3.0
167.10663	16.7
189.12781	9.0
191.06921	2.7
191.10690	8.8
193.15999	3.3
195.14044	2.6
207.13847	16.4
211.17050	3.0
225.14885	95.0
235.13327	10.6
237.14893	9.1
249.14914	31.0
261.14963	3.3
267.15918	9.2
291.15930	7.1
315.15906	3.7
395.61038	3.3
437.17923	9.4
455.19293	4.7
490.17520	9.2
514.37250	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	490.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
59.05019	5.7
63.42099	0.7
67.05557	0.9
69.03429	2.9
69.07067	0.8
69.28864	0.8
69.44254	5.8
70.06602	1.4
72.79055	0.7
73.02934	1.1
73.06567	1.7
79.05478	1.1
81.03429	1.8
81.07077	0.8
82.06589	1.0
85.02930	6.5
86.09742	1.6
87.04486	33.4
89.06049	70.3
89.81821	0.8
91.05513	1.3
95.04971	1.2
97.02904	2.3
98.21560	1.5
99.04469	1.1
100.07655	0.9
103.03964	100.0
103.07596	3.1
105.07070	3.0
107.07081	1.9
107.08618	1.9
109.02888	1.6
109.10238	1.0
109.68063	0.8
116.99725	0.8
119.07066	1.8
119.08601	3.2
121.08631	1.9
121.10176	1.2
123.11750	4.4
127.03950	1.4
130.08658	1.1
131.07068	7.1
131.08566	1.2
133.06506	1.6
133.08630	43.3
135.08099	1.0
143.84390	0.8
145.05019	0.9
145.10191	3.8
147.04472	1.9
147.06549	11.5
147.07829	1.2
147.08037	1.0
147.10168	0.8
147.10687	0.8
147.11697	5.5
152.57942	0.9
156.09370	1.7
163.09700	2.4
171.11664	1.5
175.09724	5.6
175.10986	0.9
177.05519	1.6
177.11261	19.0
189.12798	22.5
191.09189	7.2
195.12254	0.8
207.12262	3.4
207.13876	9.9
219.12357	2.7
221.13853	4.0
225.14784	1.9
235.11816	8.8
251.14992	1.4
265.16745	1.0
275.19965	0.8
279.14417	3.0
283.17447	1.2
309.19070	0.9
323.17035	1.2
367.19904	1.4
371.22943	1.1
385.20764	0.8
411.31235	0.8
427.25381	1.9
455.24915	1.3
473.26053	16.5
490.22958	2.4
490.29428	1.5
491.16724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.01878	0.9
55.05514	10.9
57.03444	3.1
57.07080	2.3
59.04994	2.0
65.03951	2.5
67.05509	58.1
68.05836	0.7
69.03409	0.5
69.06727	0.7
69.07073	8.8
69.81711	2.3
71.05004	2.5
71.32666	0.4
77.03922	0.6
79.05499	20.6
79.32989	0.5
81.07064	27.2
83.04967	1.0
83.08627	6.3
85.06535	1.8
91.05486	16.5
93.07050	23.8
95.04973	1.7
95.08611	20.6
97.06535	2.6
97.10173	2.8
99.08070	0.8
105.04512	0.6
105.07039	15.7
107.08604	12.2
109.06527	1.1
109.10165	35.2
111.08111	1.9
115.05513	0.6
117.07030	5.0
119.08592	17.7
121.10150	12.1
123.08111	0.7
123.11714	2.0
125.09623	1.0
129.07008	2.4
131.08582	10.2
133.10146	9.7
133.11108	0.9
133.94838	0.5
135.11702	7.2
137.09615	1.8
139.11232	1.3
141.06990	0.9
143.08559	2.9
145.06500	0.7
145.10136	10.0
147.11684	6.7
149.13269	3.6
155.08575	1.3
155.10657	2.6
157.10138	3.6
159.11714	7.2
161.13271	4.4
163.14940	0.7
169.10155	1.7
171.11688	3.5
173.11765	9.4
173.13298	5.8
175.14861	1.8
181.10210	0.6
183.11736	1.5
185.13249	2.9
187.14847	2.6
189.16373	0.9
190.26981	0.4
197.13306	1.6
199.14845	1.8
201.16402	1.0
210.44522	0.4
211.14944	1.4
213.14832	1.2
213.16574	1.1
215.18025	0.6
225.16391	1.1
227.17958	1.4
239.18021	0.7
241.19510	1.0
243.21194	1.5
245.18977	0.8
257.19171	0.6
259.20688	0.9
261.22122	4.1
271.20569	1.1
273.22244	0.6
275.19858	0.5
285.22147	0.9
299.23779	1.0
301.21512	0.6
303.23148	0.6
311.23700	0.7
315.23468	0.6
317.24789	1.8
329.25037	0.6
350.97809	0.5
363.25360	0.6
377.26944	1.5
379.29996	4.9
391.28464	1.0
397.31061	8.3
415.32162	2.5
433.33371	0.7
435.32605	0.5
471.34885	7.9
481.21143	0.5
489.35806	100.0
490.36200	1.4
513.24292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05515	20.6
57.07082	11.4
67.05517	40.4
69.03428	9.5
69.07079	44.6
69.27988	30.6
71.04994	5.7
71.08639	7.7
79.05484	24.1
80.65210	3.5
81.03427	4.3
81.06586	6.4
81.07067	100.0
83.04987	4.5
83.08631	20.6
85.02924	20.3
85.06547	10.1
91.05504	14.1
93.07061	46.3
95.04955	6.3
95.08621	93.1
97.02899	7.7
97.06548	13.6
97.10182	15.9
99.08105	7.3
105.07058	24.7
107.08611	40.9
108.69720	4.0
109.02921	4.6
109.06510	4.6
109.10174	55.0
111.08146	7.5
111.11736	10.0
116.70981	4.1
119.08626	22.8
121.10154	44.9
123.08090	4.5
123.11739	27.4
125.13258	6.2
127.03968	5.9
133.10211	17.5
135.11743	21.6
136.27586	3.4
137.09644	6.2
137.13261	13.0
139.11209	4.0
145.10088	6.7
147.11717	12.9
149.09624	3.8
149.13280	28.6
151.14870	5.9
155.10693	4.4
160.48798	3.8
161.09677	4.2
161.13271	10.0
163.11095	4.7
163.14824	13.4
165.12711	7.5
165.16501	5.1
167.07082	11.2
168.47186	3.5
177.16402	10.7
191.17982	4.8
203.17920	4.1
217.19572	8.4
266.90652	3.9
273.25763	22.9
279.26871	16.9
291.26917	21.9
297.27982	4.6
309.27856	19.7
322.50870	3.6
417.83725	5.0
446.48871	4.7
471.16312	59.6
489.08295	9.3
489.17819	36.2
489.28906	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	489.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01874	2.4
55.05518	18.1
57.03440	2.5
57.07090	6.5
59.05006	3.0
61.02938	1.9
63.27063	1.0
63.59268	1.0
65.03931	1.2
67.05515	24.3
69.03447	5.7
69.07076	38.2
70.06613	5.5
71.04994	4.3
71.08649	2.6
72.08155	2.7
73.02911	0.7
74.06064	1.0
77.58492	0.9
79.05505	18.7
81.03437	2.7
81.07069	100.0
83.04982	1.6
83.08630	13.7
84.04497	1.1
84.08144	2.5
85.02914	16.0
85.06554	37.8
86.09715	1.5
87.00838	1.5
87.04462	0.8
91.05486	7.2
93.07056	34.7
95.04985	3.6
95.08620	75.8
97.02899	5.5
97.06530	5.1
97.10180	7.5
98.21552	1.5
99.04467	1.6
99.08108	28.0
103.05463	0.9
105.07044	13.8
107.08611	40.5
109.02896	3.5
109.06538	4.3
109.10172	42.1
111.04447	1.1
111.08094	10.8
111.11715	8.5
113.09677	4.2
117.07027	1.4
119.03428	1.0
119.08595	10.3
121.06530	1.4
121.10162	37.5
123.08092	3.2
123.11723	25.5
124.56674	0.8
125.09663	3.7
125.13297	2.0
127.03917	6.1
127.11221	3.0
129.10243	1.7
129.12785	1.1
131.08603	2.4
133.10147	7.5
135.08104	1.3
135.11710	18.5
137.06065	2.0
137.09610	1.3
137.12325	0.6
137.13277	18.0
139.11198	5.9
140.07152	0.8
141.12755	1.0
145.04964	3.0
145.10139	3.7
147.04482	1.2
147.08044	1.5
147.11716	10.8
149.09650	1.1
149.13280	27.7
151.11229	1.1
151.14883	3.8
153.12761	4.9
155.08505	0.9
155.10612	0.9
157.12242	1.2
159.11696	1.7
161.13277	5.0
162.05583	1.3
162.39726	0.9
163.11226	0.9
163.14862	14.2
165.09163	1.9
165.12808	2.7
165.16422	1.5
167.07066	0.9
167.14357	3.6
173.13292	1.2
174.59282	0.9
175.14893	1.9
177.16414	25.3
179.17953	0.9
181.15930	1.3
187.14848	2.3
189.12749	1.0
189.16516	1.4
191.17987	3.6
193.15732	0.9
195.17471	22.4
203.14529	1.1
203.17984	2.5
205.12326	0.9
205.15883	3.8
205.19550	1.5
209.15456	1.7
209.19093	2.8
211.20630	1.4
213.18526	52.5
217.19437	4.4
221.15379	2.1
221.19064	1.5
223.16963	6.6
225.14749	0.8
227.20155	1.2
235.20686	2.3
241.18022	11.8
253.21684	1.7
261.25922	2.1
273.25760	5.4
279.26810	5.0
291.19482	0.8
291.26859	18.7
297.27948	5.9
302.10269	0.8
307.91870	0.9
309.27905	21.3
327.28967	17.6
411.92212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81002	0.7
53.03951	2.4
55.01871	2.9
55.05513	12.8
57.03442	3.6
57.07079	6.2
61.02916	2.3
65.03945	0.9
67.05511	30.0
69.03433	5.5
69.07074	26.5
69.93597	3.2
71.04999	1.8
71.08633	1.4
73.02902	0.7
79.05496	17.5
81.03423	2.8
81.07063	100.0
83.04990	1.2
83.08627	12.8
85.02913	24.3
85.06084	1.4
85.06555	22.5
85.10192	1.0
86.09727	1.2
87.00821	1.1
91.05476	8.5
91.40670	0.9
93.07053	31.5
93.07642	1.6
95.04980	2.1
95.08616	89.9
97.02917	5.6
97.06544	1.4
97.10179	10.3
98.21464	1.2
99.04461	2.2
99.08107	22.6
105.07040	12.3
107.08604	33.5
109.02886	3.1
109.06519	0.8
109.10165	54.5
110.10546	0.9
111.08131	4.9
111.11731	9.0
113.09651	6.4
119.08596	15.3
121.10151	28.7
123.08128	2.1
123.11719	32.6
125.09626	3.4
125.13268	1.2
127.03941	4.4
127.11238	3.9
129.12775	1.1
131.08621	1.3
133.10146	7.2
135.08058	1.1
135.10698	1.5
135.11699	21.5
137.09648	0.9
137.13261	13.7
139.11209	2.3
141.12808	1.0
143.14304	1.3
145.04970	3.4
145.10120	1.5
147.11714	7.1
149.09741	0.9
149.13275	39.3
151.14806	5.6
153.12766	1.9
155.14320	2.0
159.11725	6.6
161.13260	7.7
163.14836	25.5
165.09113	0.9
165.16408	2.9
167.07127	1.2
167.14336	3.5
175.14807	3.8
177.12724	1.7
177.16394	14.1
179.17989	2.9
181.08720	0.8
181.15918	2.9
183.17442	1.4
189.16402	5.0
191.17946	7.1
193.19453	1.2
195.17473	3.4
197.18991	3.5
197.42891	0.9
203.18021	4.8
205.12225	1.7
205.19603	2.3
209.19061	3.8
211.20642	3.3
217.19550	8.0
221.08124	2.8
221.19051	2.2
223.13301	1.2
223.20554	1.7
231.21107	1.3
233.22664	1.6
235.20589	5.0
241.14336	15.2
247.24252	3.4
261.25861	1.2
265.25281	3.3
273.25766	17.7
279.26874	2.9
291.26862	35.5
309.27893	12.4
327.28824	3.7
401.63147	0.8
489.23184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.03408	0.4
59.86728	0.3
65.03924	0.4
67.05494	0.7
69.03422	0.4
69.07071	0.5
70.21032	1.3
79.05512	0.5
81.03413	0.4
81.07066	1.6
83.08632	0.5
85.02905	0.4
85.06557	0.5
88.47849	0.3
91.05481	0.6
93.07040	0.7
95.08614	1.8
97.02874	0.4
97.06544	0.9
97.79120	0.3
105.07029	0.7
107.04953	0.7
107.08575	0.8
109.10176	1.3
118.04175	1.2
119.05002	0.4
119.08588	1.1
121.02851	2.6
121.10140	1.1
123.08083	0.3
133.02916	0.5
133.10114	1.2
135.11751	0.9
137.05986	0.5
137.09624	0.4
145.10144	0.4
149.02357	0.6
150.02733	0.3
167.06961	0.5
170.03568	0.3
198.03130	0.5
205.12257	0.4
226.02687	0.6
231.08188	0.7
239.03392	0.4
253.05042	0.4
254.02069	0.6
259.07642	0.8
260.08337	0.9
270.06882	0.4
271.07504	1.2
282.01550	0.7
283.02042	0.4
287.07071	1.4
288.07840	1.4
299.06979	0.5
300.07693	0.7
310.01016	0.9
315.06573	1.3
316.07404	2.4
327.06537	1.6
328.07355	1.0
331.06143	0.5
343.06000	2.2
344.06790	3.1
345.07669	0.8
355.06024	1.4
356.06750	2.2
356.10519	0.4
357.07687	0.4
371.05658	1.4
372.06348	9.0
373.07062	1.8
374.07687	0.5
376.05899	0.6
383.05472	2.0
384.06039	1.7
387.08572	0.6
399.04208	0.6
399.09048	3.1
400.05789	15.1
401.06622	5.2
404.05304	0.9
411.04907	2.2
412.05765	2.3
415.08145	10.4
417.09207	0.4
419.07474	0.7
422.49094	0.3
426.07083	1.7
427.08939	2.5
427.99658	0.7
428.05276	11.9
429.06128	1.2
430.06827	0.5
443.07645	28.3
444.08130	0.7
445.09311	0.9
446.06113	0.5
446.48969	0.3
456.04642	1.3
467.96695	0.4
471.07144	4.3
471.16190	3.3
474.05960	2.5
489.08182	100.0
490.08496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.05513	16.2
57.07063	6.8
67.05505	17.8
69.07069	24.0
71.52558	3.8
74.12799	2.2
79.05485	7.0
81.07069	26.2
83.08610	10.7
83.59792	2.3
87.04457	4.3
91.05483	4.3
93.07046	23.6
95.08615	74.7
97.10164	9.5
105.07044	11.0
107.08627	20.7
109.06503	2.9
109.10169	17.6
117.07024	4.0
119.08607	10.4
121.10178	20.2
123.11732	18.6
127.07541	8.7
131.08565	8.4
133.10152	8.3
135.11707	16.2
137.13264	7.7
143.08499	2.9
145.10168	12.0
147.11691	9.7
149.13293	10.9
151.14813	5.6
157.10146	6.0
159.11668	6.1
163.14839	4.3
171.11497	2.7
177.16402	4.9
185.13226	4.0
189.09145	2.8
191.10680	9.4
219.13654	4.3
225.95656	2.4
227.14467	3.1
231.13817	8.7
245.15366	7.2
343.26352	100.0
361.27292	8.9
465.67969	2.5
487.35818	18.9
487.47794	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	488.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.1
53.03938	0.5
55.01867	0.3
55.05512	0.3
57.03433	0.4
57.07082	4.7
57.88968	0.1
61.02923	0.4
62.47454	0.2
65.03935	0.8
67.05484	0.3
68.99798	0.2
69.03437	1.5
69.07073	0.3
71.05002	0.2
71.52268	0.2
73.02902	0.5
79.03712	0.1
81.03426	1.3
81.07052	0.7
82.06592	0.2
83.04960	0.2
83.08614	0.2
85.02909	3.1
87.00837	1.5
91.05486	0.3
93.07041	0.5
95.04947	0.2
95.08604	0.5
97.02903	1.7
97.06551	0.2
97.10188	0.2
99.04457	0.7
102.73810	0.1
105.01872	0.6
105.07043	0.5
107.08587	0.7
108.04462	0.3
109.02889	1.4
109.06507	0.2
109.10148	0.3
116.07087	0.4
117.01855	0.2
119.04979	0.2
119.08581	0.6
121.02877	2.0
121.03807	0.3
121.10143	0.5
127.03922	2.0
128.07071	0.2
131.08554	0.2
133.10149	0.4
135.11754	0.2
138.00420	0.2
145.04947	0.9
145.10162	0.5
147.11681	0.4
149.02354	100.0
150.02721	0.5
159.02956	0.8
159.11707	0.2
163.14856	0.2
167.03423	6.7
175.14859	1.5
182.50742	0.2
187.14836	0.6
190.04979	0.3
191.03432	0.2
191.14349	0.3
193.15892	0.3
195.60382	0.2
205.08641	1.8
205.15869	0.8
223.09669	19.3
231.05017	0.3
248.07707	0.3
261.66214	0.2
266.08942	0.2
268.26688	0.2
322.98169	0.1
345.27133	0.2
355.97913	0.2
453.14087	0.2
476.94238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01865	3.4
55.05520	20.6
57.03444	4.0
57.07073	8.8
61.02938	2.8
67.05511	36.9
67.69131	2.5
69.03425	6.6
69.07076	30.0
69.31411	11.1
69.31818	8.0
70.06597	3.1
73.02894	2.3
76.05061	2.4
79.05499	25.0
81.03415	4.5
81.07063	100.0
83.04988	3.7
83.08632	13.4
85.02908	18.5
85.06538	17.9
86.09718	5.2
91.05499	23.0
93.07058	44.0
95.04977	5.5
95.08614	81.7
97.02882	5.3
97.06544	6.3
97.10178	7.9
99.04422	3.1
99.08099	9.5
105.06397	3.7
105.07039	39.4
107.08604	39.9
109.02898	2.8
109.06476	3.1
109.10161	56.6
110.04298	2.0
111.08059	4.7
111.11732	6.8
113.09644	3.4
117.07041	5.3
119.08588	31.7
121.10168	32.9
121.45497	2.8
123.08160	3.3
123.11747	21.6
125.09637	8.3
126.06276	2.4
127.03978	2.9
127.11172	4.0
131.08554	8.8
133.10144	27.0
135.11684	25.0
137.09616	9.4
137.13271	5.9
139.11198	4.4
143.08598	2.9
145.04968	2.5
145.10144	12.1
147.11710	23.8
149.13281	25.4
151.11205	5.5
151.14888	2.4
152.57010	2.2
154.16206	2.5
159.11687	14.9
161.13304	17.6
161.87434	2.6
163.14845	14.9
165.12802	3.9
165.16330	3.6
173.13284	6.4
175.14859	11.7
177.16438	7.0
179.17961	3.5
187.14848	6.1
189.16403	9.2
195.17451	3.4
201.16377	6.1
203.18069	3.9
207.17496	3.0
215.17984	6.4
229.19643	2.4
245.22697	3.5
260.10074	7.2
271.24396	12.5
271.26932	2.8
277.25223	11.0
289.25363	34.6
294.07965	2.5
307.26297	17.4
325.27380	10.1
508.78287	2.7
512.61511	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	488.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.05502	0.7
57.03444	6.0
59.05006	100.0
61.02937	0.6
62.06096	4.5
64.94754	0.5
67.05508	0.6
69.03436	1.9
69.07106	0.7
69.41877	4.2
70.06602	0.9
72.08105	0.5
79.05516	0.6
79.12592	0.5
81.03435	1.0
81.07056	1.1
81.37060	0.5
83.08624	0.6
85.02924	5.5
86.09743	0.7
87.04498	0.6
89.06048	1.6
91.05489	0.6
93.07060	0.7
95.05015	0.7
95.08654	0.8
96.52448	0.5
97.02923	2.2
97.06525	1.1
99.04485	1.2
99.08112	1.6
101.09670	0.7
105.07101	0.5
115.07590	0.9
117.05555	0.9
117.09143	32.8
119.08577	0.7
121.06516	1.7
127.03948	1.1
133.08633	1.2
137.06013	1.7
145.02859	0.6
145.04932	0.8
147.04440	0.8
166.94185	0.5
168.00560	5.6
168.06660	0.5
169.01419	0.6
175.13315	14.0
175.14761	0.9
177.05539	1.5
183.02905	16.6
186.01639	1.7
192.10277	0.7
193.14362	3.2
195.08066	1.0
199.07533	0.8
211.07445	0.9
213.09210	0.8
215.49950	0.5
220.36578	0.6
233.17487	3.0
239.07028	1.1
241.08659	1.7
251.18706	1.5
253.03534	0.8
278.09534	0.7
293.62833	0.6
306.09021	0.6
309.22739	47.2
310.23120	0.8
326.04373	0.7
329.06699	0.9
331.74265	0.5
334.08377	3.7
335.09528	1.5
336.09833	1.1
340.05710	0.8
347.05777	1.3
349.10699	4.7
355.08246	1.7
362.07837	2.4
365.06766	0.6
367.11832	1.4
373.99469	0.5
377.10220	4.5
380.09393	0.7
395.11298	10.2
397.12900	20.3
427.13916	7.2
488.21896	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05506	0.3
57.03441	0.3
59.05003	1.8
67.05513	0.5
69.03432	0.8
69.07076	0.9
69.57849	1.6
70.06601	1.9
71.05012	0.4
79.05490	0.4
81.03426	0.5
81.07059	1.1
85.02901	1.0
86.09708	2.2
91.05488	0.7
93.07064	0.7
95.04989	0.6
95.08611	1.0
95.53667	0.2
97.02907	1.9
97.06537	1.0
98.03185	0.3
105.07040	0.5
107.08611	0.8
109.06516	0.5
109.10161	0.6
117.09123	0.5
119.08576	0.5
121.10168	0.6
127.03947	0.5
131.08604	0.3
133.02878	0.3
133.10175	0.4
135.08026	0.3
135.11736	0.3
135.35115	0.2
137.05992	0.7
147.04469	0.4
159.11725	0.3
163.03973	0.5
177.05502	0.5
183.02950	0.5
199.18137	0.5
229.15611	0.3
231.10588	0.3
259.09854	0.4
260.10040	0.8
275.07373	0.5
285.81775	0.3
307.14255	0.3
307.26212	0.5
309.22772	0.8
317.08521	0.4
335.09515	9.0
355.17371	1.6
397.13068	0.6
469.15567	0.3
487.21558	100.0
488.21970	1.5
507.64545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.6
53.77916	3.8
55.01879	6.1
55.05522	28.1
57.03425	7.3
57.07074	11.5
61.02938	5.1
67.05516	30.6
69.03436	32.4
69.07082	27.7
70.06596	4.4
71.05003	22.7
73.02927	6.9
78.70051	3.2
79.05507	31.8
81.03429	17.0
81.07068	100.0
83.04990	15.2
83.08625	18.0
85.02917	64.5
85.06557	5.1
86.09731	6.4
87.00830	13.6
91.05507	25.7
93.07060	48.1
95.04971	10.5
95.08624	71.6
97.02888	24.1
97.06555	9.8
97.10201	11.6
98.97672	3.4
99.04455	6.8
99.08092	9.0
105.01891	10.5
105.04574	3.9
105.07043	54.8
107.08613	84.7
109.02885	18.8
109.06516	12.2
109.10165	54.2
111.04481	4.5
111.08069	8.0
111.11729	4.7
115.05489	3.5
116.07098	10.3
117.07056	8.5
119.08603	63.0
120.76630	3.7
121.02988	3.9
121.06503	4.1
121.10169	31.7
123.08109	6.5
123.11732	28.4
125.05979	5.1
125.09608	10.0
127.03951	32.9
127.11211	13.3
129.07030	4.7
131.08583	8.8
133.02872	25.6
133.10139	40.5
135.08028	8.0
135.11703	66.3
137.06010	12.2
137.09648	7.0
137.13263	10.9
139.11237	7.4
143.08580	5.0
145.02945	4.3
145.05011	10.4
145.10147	19.2
147.04520	7.0
147.08124	4.1
147.11705	42.0
148.69412	3.8
149.05998	11.7
149.09589	7.9
149.13277	15.4
150.06783	4.5
151.11278	4.5
153.12823	6.3
155.91440	4.1
157.10210	10.1
159.11726	15.0
161.05931	6.7
161.09563	5.5
161.13257	20.5
163.11203	12.2
163.14824	6.2
165.05516	4.5
169.10207	6.9
171.11827	6.4
173.13301	5.9
175.03952	7.8
175.14882	10.8
177.05507	14.9
179.04860	6.8
179.14267	4.5
181.12267	6.6
187.14781	5.4
189.16470	6.6
191.18039	7.1
201.05493	8.5
201.16412	4.3
203.17996	45.7
205.19542	9.4
211.86891	4.1
213.16415	4.7
221.15411	10.2
221.19061	32.3
222.27588	4.1
233.05966	5.7
239.16379	7.8
265.08698	5.3
289.25250	4.3
307.09851	5.4
307.26395	15.6
325.10822	23.5
333.79288	4.4
343.43478	4.1
469.14835	11.2
487.19965	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
53.08018	0.8
55.01871	2.5
55.05515	20.3
57.03440	2.9
57.07097	3.8
59.05003	4.4
61.02928	3.4
65.03946	1.2
67.05509	15.2
69.03432	10.9
69.07074	100.0
70.06603	2.5
71.04992	3.7
71.08620	0.8
73.02924	2.5
73.73776	0.7
74.54102	0.7
79.05499	20.7
79.85489	0.7
81.03437	5.1
81.07063	66.0
83.04974	3.7
83.08629	7.8
85.02913	28.3
85.03439	0.8
85.06544	9.7
86.09736	1.6
87.04488	0.9
89.06051	0.9
91.03994	0.7
91.05489	10.3
93.07053	37.4
95.05003	3.1
95.08614	34.1
97.02894	9.6
97.06537	11.7
97.10175	14.1
98.06844	1.2
99.04459	2.1
99.08105	8.6
101.06061	1.5
105.07039	16.6
105.07691	1.3
107.08602	33.0
109.02886	4.4
109.06559	2.9
109.10163	26.4
111.08109	3.5
111.10956	1.5
111.11729	31.4
113.09695	1.4
117.07027	2.0
119.04970	1.2
119.08596	15.8
121.10158	16.9
123.05582	1.4
123.08080	1.5
123.11720	23.9
123.12596	1.4
125.09647	5.0
127.03941	6.3
127.11221	1.8
129.07022	0.7
129.12811	2.6
131.08589	4.1
133.02904	2.8
133.10146	14.8
135.08121	1.2
135.11702	50.1
137.05991	1.7
137.09698	1.8
137.13255	2.5
139.10117	1.3
139.11195	25.1
139.12219	1.4
143.08598	1.5
143.10704	1.6
145.05002	3.5
145.10152	6.5
147.04483	2.1
147.11691	9.8
147.12604	0.8
149.09657	1.3
149.13274	10.8
151.11215	3.1
151.14792	3.8
153.12756	41.4
157.10286	1.0
157.12231	3.9
159.11729	10.7
161.13251	6.5
163.03966	2.3
163.11292	1.1
163.14822	4.2
165.12845	2.1
167.14400	2.1
172.05258	0.8
173.13258	5.5
175.03943	1.0
175.14835	3.4
177.05463	1.7
177.12746	1.4
177.16414	4.3
185.15430	1.1
187.14821	4.3
189.12874	1.0
189.16478	3.1
191.14406	0.9
191.17976	1.3
193.15840	1.4
195.17593	2.5
197.13388	1.1
201.16418	2.0
203.18021	2.6
207.13963	1.2
207.17552	1.0
209.15518	1.9
209.19096	0.9
213.18489	3.7
215.07130	0.8
215.17999	2.0
216.07449	0.9
221.19153	1.3
227.20003	3.8
235.17082	0.9
239.20055	3.9
242.71019	0.8
251.50763	0.8
259.09845	1.7
260.10059	5.0
271.24329	2.3
273.13446	1.3
277.25299	6.1
289.25269	15.8
291.23178	0.9
295.26355	17.6
301.12952	1.7
303.23315	1.0
307.26334	22.1
325.10892	1.9
325.27408	18.4
325.31049	1.2
411.25354	1.3
419.95004	0.7
433.25626	1.0
435.69669	0.9
451.27042	0.9
487.21622	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27981	1.5
55.05503	4.1
57.03440	9.0
61.02937	20.7
62.69226	1.7
64.55032	1.7
67.05473	1.9
69.03421	6.8
69.15723	4.7
69.16133	12.7
71.01376	2.0
71.04995	17.5
72.86085	1.8
73.02927	11.1
75.04469	5.0
81.03424	2.7
81.07049	4.1
83.04980	8.8
85.02912	100.0
85.15446	1.6
87.04482	2.5
90.64410	1.6
91.03960	25.7
93.07052	3.2
95.01342	14.9
95.04956	2.5
95.08598	2.0
97.02895	26.0
99.00832	1.7
99.04462	4.1
103.03967	4.5
107.08550	3.4
109.02889	2.9
111.04443	5.9
113.02361	2.3
115.03883	2.1
127.03924	20.7
129.05492	17.3
141.01826	49.8
145.04984	22.9
145.10088	2.7
147.06535	14.3
147.11705	2.0
159.02893	11.4
163.06033	43.1
165.01935	1.8
177.04062	1.9
177.05489	3.0
183.02895	7.4
255.08643	2.6
287.07767	2.4
305.08667	6.1
309.11914	3.0
339.19620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
57.03449	7.7
57.07084	23.7
67.05508	4.4
69.07084	4.8
71.08244	0.9
71.08639	17.4
76.06226	0.6
79.05489	1.3
81.07064	8.5
83.08611	4.8
85.10194	8.6
89.06049	3.0
93.07055	1.3
95.08607	10.2
97.10181	2.8
98.98476	5.2
99.11764	0.6
103.07605	0.8
103.34325	0.6
107.08602	1.4
109.10162	4.7
111.11742	0.7
117.54050	0.5
123.11739	1.8
137.13249	1.1
155.01083	3.6
187.15028	0.6
195.21013	0.6
218.30566	0.8
229.42726	0.7
239.23773	1.9
257.24768	1.9
313.27386	100.0
314.27853	0.8
323.61530	0.7
446.65399	0.6
449.26572	1.5
485.47092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56842	1.5
55.05512	9.8
57.07073	5.6
62.06094	75.6
65.03959	2.0
67.05511	17.0
69.07077	23.3
70.02937	2.5
71.08617	2.6
71.44285	3.4
79.05486	5.2
81.07067	31.5
83.08614	9.6
85.78995	1.5
87.04483	17.1
88.03973	3.2
88.15306	1.7
91.05488	5.5
93.07053	18.3
95.08609	47.6
97.06523	2.6
97.10162	6.3
98.06075	1.6
105.07032	7.2
107.08606	25.5
109.09476	3.4
109.10163	43.9
111.11730	5.8
119.08583	9.4
121.10146	21.0
123.11718	21.9
131.08588	2.3
133.10158	7.0
135.11700	16.3
137.13239	10.0
144.10220	13.8
145.10130	2.9
147.11684	7.8
149.09636	2.9
149.13271	14.1
151.11151	1.9
151.14798	2.1
158.11781	6.1
161.13298	3.8
163.11266	3.8
163.14798	10.5
165.09142	7.2
172.13365	5.9
173.09554	1.8
175.14865	2.4
177.16409	7.8
184.13382	2.2
186.14922	7.5
189.16370	4.9
191.17940	8.2
198.14903	2.4
200.16492	12.8
203.17957	2.5
205.19548	6.3
212.16441	9.1
214.18056	2.9
217.19586	5.0
219.17619	3.4
219.21150	3.9
224.16476	6.8
226.18063	6.2
228.19550	1.8
231.21039	3.8
233.19164	2.1
238.18022	4.0
240.19638	4.4
254.21094	3.8
266.21280	3.5
268.22766	21.4
273.25720	2.2
280.22745	6.7
282.24298	9.2
294.24365	9.3
296.25879	2.5
308.25980	2.0
362.30527	3.0
364.32211	1.9
425.37811	6.0
429.37234	3.0
486.43045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	21.2
57.03436	2.2
57.07072	2.9
59.04998	10.8
66.91818	2.0
66.92230	2.0
67.05506	13.4
69.03424	3.8
69.07076	51.3
71.04994	5.7
72.08158	4.2
79.05506	17.7
81.07059	35.5
83.04994	10.0
83.08616	4.4
85.02898	4.0
85.06565	2.4
89.06043	36.1
91.05475	2.2
93.07051	30.4
95.08620	27.7
97.02911	2.0
97.06536	36.6
97.10181	19.7
105.07027	3.0
107.08595	4.5
109.10171	2.7
110.54613	1.9
111.11739	7.8
117.09133	3.8
119.08624	3.3
121.10155	37.8
133.08615	18.8
133.10135	2.4
135.11742	4.1
139.11194	100.0
145.10135	2.9
153.12779	5.9
157.12257	78.8
161.65245	1.9
171.13832	4.2
177.11206	13.0
183.13791	17.1
195.12302	10.4
197.15393	8.2
201.14903	4.5
204.08875	2.1
215.16431	27.6
235.15405	3.2
241.18019	2.8
253.16585	6.4
273.20602	10.2
293.19748	2.9
325.14478	3.3
325.23441	2.2
333.22702	7.9
367.15610	4.4
381.05954	2.2
385.16711	2.6
391.12628	2.1
391.27051	2.9
403.17776	2.2
431.17078	5.7
449.31006	4.0
467.32050	6.1
484.35336	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
55.05518	1.2
57.07080	50.6
59.05008	17.1
60.66368	0.9
67.30907	0.8
67.94406	0.8
69.07071	3.3
70.10219	4.4
71.08637	100.0
73.06564	2.0
79.27502	0.9
81.07081	1.0
83.08621	2.4
85.10190	54.4
87.04483	5.0
89.06039	80.3
97.10168	1.1
103.07583	4.9
107.07061	1.7
111.11752	1.4
119.59567	1.1
127.14832	8.3
130.08635	2.1
131.06996	2.9
133.08618	51.6
175.09747	2.2
177.11234	37.7
185.18999	9.7
195.12347	2.1
219.12299	1.2
221.13853	3.3
229.21631	5.3
237.17120	1.7
239.14999	2.3
265.16406	3.3
283.17529	26.8
323.20834	5.1
327.20114	7.2
341.21747	3.9
388.82642	1.1
467.35886	11.6
484.38712	2.0
484.47113	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83987	1.1
53.65196	1.3
55.05509	2.6
57.07081	32.5
59.05013	2.3
69.07079	2.5
71.08640	39.5
71.90475	1.2
73.06573	5.8
79.70712	1.1
83.08637	2.9
85.10191	29.3
85.10676	2.4
87.04473	3.8
88.92638	1.1
89.06042	100.0
90.04403	1.1
95.08552	1.4
97.10188	1.4
99.11746	1.8
103.48862	1.2
107.07104	2.5
117.09138	4.9
127.14857	2.8
130.08636	3.5
133.08626	52.7
133.31064	1.3
141.16449	4.2
177.11238	23.4
185.19034	7.0
221.13873	3.4
224.85214	1.3
226.21838	1.6
229.21707	10.5
239.14908	2.2
273.24304	7.1
283.17566	9.0
294.71246	1.3
327.20132	10.3
339.35632	1.2
398.76559	1.3
423.33267	1.8
467.35757	25.5
484.47446	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64912	2.5
59.78006	2.4
64.52529	2.3
71.01707	2.3
71.11037	5.4
72.25098	2.6
76.87363	2.7
98.97585	9.9
115.62240	2.3
116.98654	3.4
119.01959	3.4
130.42323	2.6
177.00974	4.0
216.95488	3.1
216.98903	4.3
219.02005	3.9
234.96515	4.8
234.99892	6.4
240.99025	12.1
256.96692	6.5
258.96588	11.6
259.00003	39.7
260.99768	6.5
261.03055	14.4
262.03162	3.6
264.99054	4.3
274.97775	7.5
275.97931	3.2
276.97589	14.8
277.00983	18.3
279.00854	2.6
283.00006	100.0
284.00101	10.3
284.99820	8.6
298.97797	13.2
299.97842	6.0
300.97653	25.1
301.01053	93.6
302.01169	9.8
303.00986	6.1
316.98825	16.7
317.98996	5.9
318.98691	26.8
319.02100	5.1
359.00049	3.0
360.99780	3.6
401.01041	7.4
407.00195	8.4
411.74033	2.9
418.98941	5.3
419.97781	4.1
425.01294	55.5
426.01495	3.6
443.03116	91.2
444.02255	9.2
445.02261	4.8
455.47296	3.2
460.99866	34.9
467.02335	5.1
485.00272	18.7
485.47769	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.9
57.03452	11.6
61.02928	23.3
62.31592	1.9
62.31928	1.9
67.05510	3.4
69.03421	6.8
69.07078	4.3
71.05002	22.7
71.51942	1.9
71.52386	2.7
73.02923	12.5
74.20350	2.0
75.04470	7.7
81.07069	3.0
83.04973	7.3
83.08598	3.4
85.02910	100.0
87.04457	2.6
91.03963	25.7
93.07041	3.8
95.01328	12.3
95.04955	3.8
95.08609	5.0
97.02894	26.8
99.04433	4.8
100.35140	1.9
103.03977	3.4
105.07034	3.3
107.08596	2.8
109.02874	2.7
111.04469	4.9
112.18427	1.9
113.02399	4.2
119.08612	2.8
127.03929	16.7
129.05482	24.1
141.01845	49.6
145.05009	19.3
147.06531	17.0
147.36659	2.1
159.02902	13.8
163.06023	44.8
168.00555	9.2
183.02893	20.4
198.06541	2.0
234.85608	2.2
262.79349	2.3
273.09659	3.0
305.08728	5.4
309.11621	2.7
321.08194	2.9
356.44138	2.3
432.28339	2.1
435.14328	5.1
453.15411	9.8
497.83673	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
53.44303	1.1
55.01876	3.0
55.05527	2.7
57.03428	1.3
59.04998	3.7
59.25706	1.1
60.41581	1.4
67.05505	7.7
69.03432	2.6
69.07069	11.5
69.24385	11.6
71.05006	1.9
79.05505	13.0
81.03438	7.5
81.07077	7.9
83.04951	1.7
83.08615	3.4
85.02922	2.9
87.93797	1.4
91.05476	4.5
93.07043	6.1
95.04958	3.0
95.08614	3.4
96.04424	1.2
97.02895	1.9
97.06536	100.0
98.06873	1.5
104.02805	1.2
105.06367	1.1
105.07024	5.2
107.08614	5.0
109.02886	2.0
115.07581	2.4
119.08588	3.1
121.06513	2.0
121.10146	4.2
123.11720	4.2
129.07047	1.5
131.04919	1.5
131.08559	2.9
133.10127	3.0
145.10173	2.4
147.04439	3.0
147.11734	2.8
149.09677	1.8
151.11183	2.4
153.06908	1.2
156.13882	1.8
157.10083	1.7
159.04330	1.4
161.05986	1.5
163.03885	1.9
163.11247	1.8
165.05446	1.9
173.05933	1.9
175.03928	2.6
175.07573	1.6
175.11191	2.4
175.12646	1.3
177.05519	4.5
183.07985	1.5
184.13322	1.3
185.13293	1.6
187.07520	3.6
189.05476	3.4
191.03481	2.4
193.04967	5.9
193.12181	2.9
197.05949	1.7
197.09515	1.8
199.07616	3.0
199.11134	1.5
201.09077	8.8
203.03384	7.4
207.08069	2.1
211.07567	2.9
211.13271	2.1
215.06990	1.5
215.10663	3.4
217.04929	5.4
219.02861	1.5
219.17314	1.4
223.07668	1.6
225.09091	7.1
227.07025	2.3
227.10655	1.9
229.04939	3.7
229.08499	1.8
231.02902	1.4
237.09158	2.4
243.06534	4.1
245.08121	3.3
253.08600	4.7
253.12296	1.3
255.13815	1.7
267.10126	2.4
269.08084	1.8
271.09686	5.9
271.13123	1.6
281.08078	1.9
289.10675	8.1
289.14087	2.9
297.14871	8.9
299.09158	1.4
311.16309	5.4
313.14401	2.4
317.10211	3.8
321.14755	4.2
323.12671	3.7
325.14194	2.8
335.11264	1.5
339.15936	7.0
341.13791	11.4
349.14291	2.9
357.17014	2.9
359.14868	3.3
367.11008	2.4
367.15445	27.7
385.16504	27.3
387.14117	3.2
395.14813	7.6
403.12448	2.1
403.17538	33.9
405.15512	16.1
413.15991	17.0
431.17102	20.0
449.18106	1.9
466.18692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.05519	18.6
57.03448	7.0
57.06836	0.7
57.07085	9.2
59.48788	0.5
65.09225	0.6
67.05521	2.9
69.07079	24.4
69.45684	0.9
69.46091	3.1
70.11396	0.5
71.08640	5.5
71.20187	0.6
76.94334	0.6
79.05483	2.2
81.07075	5.2
83.04971	1.1
83.08630	18.8
85.10172	2.3
93.07053	3.8
95.08625	3.8
97.06554	2.3
97.10186	10.7
98.20815	1.0
98.98491	7.3
107.08598	2.6
109.10145	1.2
111.08093	1.3
111.11745	4.2
121.10161	2.9
125.09646	0.8
135.11731	1.7
137.13240	0.8
139.11278	0.6
145.10204	0.5
149.13297	1.3
153.76521	0.5
155.01047	5.2
166.50072	0.6
173.02141	1.2
205.19572	0.6
215.14333	1.0
219.21135	0.7
237.22113	1.3
261.14935	1.6
267.49774	0.5
311.25845	100.0
312.26129	1.3
357.74249	0.6
447.25046	3.4
483.34735	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.2
56.81920	2.5
57.03424	3.2
57.07082	99.7
58.04217	4.4
59.05010	49.5
59.64392	2.7
62.36525	3.0
69.07081	5.0
69.93015	13.3
71.08641	100.0
81.07054	4.0
83.08629	5.8
85.10195	80.3
87.04472	4.6
89.06046	20.3
90.01919	21.0
90.06355	3.5
95.08650	3.1
97.10154	3.8
99.11752	16.1
101.09674	3.4
117.09154	13.8
133.08617	10.2
141.16399	6.1
155.17989	3.2
177.11369	2.9
181.18216	2.5
185.19014	2.6
199.20592	7.8
213.22144	3.7
249.10515	2.7
257.24762	10.0
273.24286	2.7
283.17487	6.5
284.17868	9.5
437.34024	4.3
483.37686	13.8
488.08847	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01889	0.3
55.05528	0.4
57.03456	0.5
59.04984	0.4
63.02366	0.5
65.03953	0.4
67.04245	1.1
67.05488	0.3
69.03432	2.0
69.25947	2.5
70.06598	0.6
71.04997	0.6
72.08157	0.3
73.02926	0.4
80.05048	0.4
81.03432	3.5
82.06586	22.1
83.04972	0.3
83.08622	0.3
85.02907	1.9
85.32629	0.3
89.03917	4.7
91.05450	0.8
95.04984	0.3
95.08618	1.0
97.02914	1.2
99.04445	0.4
100.07626	15.7
107.08556	0.4
109.02884	1.5
109.10165	0.8
117.03391	17.9
119.04939	0.3
127.03941	0.8
127.07555	0.4
128.07089	10.1
134.03650	0.9
134.08191	0.4
135.04428	0.7
137.06006	0.5
137.09608	0.9
144.06485	0.4
145.02858	49.1
146.08133	52.5
147.04420	0.8
149.05998	5.7
153.12737	0.3
155.10704	1.6
159.06776	0.3
163.03888	0.8
172.07597	1.0
173.11726	1.1
177.05484	100.0
178.05757	0.6
183.06560	0.6
186.05505	0.9
188.07101	2.4
188.09261	0.3
195.06558	0.8
207.06448	0.3
218.08107	0.7
236.09143	2.5
286.12717	0.3
304.13855	0.7
308.13452	4.5
321.09744	3.4
339.10855	3.8
352.98526	0.3
355.61453	0.3
438.17624	0.8
484.18130	24.0
485.18481	0.4
498.53177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01863	2.0
55.05513	7.6
57.03441	3.5
59.05013	0.6
59.99119	3.5
60.08193	0.7
61.02934	6.3
61.04045	0.5
63.00122	0.6
67.05530	1.0
69.03432	13.6
69.07070	1.7
71.05000	2.8
71.31510	1.1
72.08154	6.0
73.02916	2.4
73.06564	36.5
79.05484	3.5
81.03423	7.1
81.07066	1.2
83.01374	0.7
83.05010	0.7
85.02913	59.1
85.07659	0.7
85.98522	0.6
86.06065	3.7
86.09692	1.9
87.00838	0.7
87.04472	2.5
89.04264	1.1
91.03945	3.0
93.07043	1.1
95.08631	0.9
95.12706	0.5
97.02298	1.2
97.02901	18.0
97.03526	1.0
97.06537	10.2
99.04462	2.1
102.03741	0.6
103.03886	0.7
104.10745	3.0
105.07048	0.8
106.06567	33.4
109.02893	6.3
109.06523	0.7
115.03899	1.0
115.08702	4.7
127.03929	11.5
132.04800	100.0
134.06029	2.2
134.71712	0.6
141.06609	1.3
145.05011	17.7
157.13400	4.9
163.06035	2.5
175.05379	4.3
175.07628	0.9
177.05525	0.7
184.07333	0.9
191.11823	1.8
193.04959	0.7
201.09222	1.0
208.05426	2.3
217.10086	15.1
219.10095	0.6
235.17036	0.7
236.17372	0.9
250.10197	1.4
253.08650	0.8
271.09863	0.7
280.11188	2.0
281.07938	0.7
289.10855	1.4
297.14822	1.4
341.13843	1.0
367.15494	2.5
379.15366	31.5
385.16537	2.9
403.17532	2.8
404.46219	0.6
405.15530	3.5
413.15973	1.1
431.17139	3.0
454.56189	0.6
484.21246	12.2
484.33820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01878	2.9
55.05506	2.5
57.03434	7.3
57.64568	1.8
59.04996	3.2
60.19463	1.6
64.14033	2.0
64.42222	1.7
67.05510	3.2
69.03432	22.6
69.07072	4.9
70.03745	2.0
70.06578	6.0
71.05000	14.9
71.51170	3.4
73.02916	4.4
73.06549	2.4
79.05500	5.6
81.03426	11.7
81.07066	20.1
82.03774	3.1
82.06598	2.9
83.05006	2.8
85.02914	28.0
86.03227	2.0
86.09690	3.7
87.04473	12.8
91.05503	3.4
93.07038	15.1
95.04958	3.2
95.08582	5.3
97.02898	26.4
97.06530	4.2
98.03197	2.5
98.09676	3.2
99.04474	2.5
99.10075	2.7
105.07056	4.5
106.02923	17.2
107.03258	8.0
107.08575	13.3
109.02870	8.9
109.06460	2.2
109.10190	4.4
110.03240	2.4
115.03938	21.8
116.07075	2.6
119.05000	4.4
119.08566	2.4
120.08148	3.0
121.02892	2.4
123.11833	2.0
124.03969	27.9
125.03508	2.5
125.04268	11.8
125.63710	1.9
127.03928	8.9
128.04224	2.5
130.04984	2.9
133.04962	19.0
135.11696	20.5
137.06010	4.5
140.07098	2.7
145.04945	6.6
147.04427	3.7
152.07088	3.2
153.12758	100.0
163.06017	2.7
164.07085	2.5
165.09015	2.0
171.13768	2.5
173.09659	2.6
182.08142	5.8
183.08391	3.8
198.11688	2.1
215.10600	4.4
239.09692	2.0
250.07147	7.1
251.07526	5.6
252.87090	2.0
268.08231	5.7
269.08496	13.2
275.09280	1.9
285.03632	2.0
285.12363	4.1
294.14600	2.1
303.13135	3.8
321.14423	3.9
321.18109	2.5
465.15204	2.7
483.14563	3.9
483.23022	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	483.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.4
55.83807	0.7
67.05482	3.0
69.03400	0.8
69.07040	3.2
69.74337	1.5
69.74744	2.3
69.85860	0.8
73.77029	0.6
76.60227	0.7
79.05473	2.9
81.03410	1.2
81.07058	7.6
82.07362	1.2
83.04983	0.9
83.08622	1.6
85.02879	2.4
91.05462	2.8
93.07051	5.4
95.04945	1.0
95.08628	6.0
96.08905	0.7
97.02882	1.2
97.06506	2.1
97.10152	1.3
98.13531	0.6
99.08046	0.7
102.23349	0.7
105.07036	3.3
106.07352	1.3
107.08617	6.4
109.10167	3.2
116.73693	0.7
119.08556	2.4
121.10148	9.3
123.04418	1.0
123.11691	2.4
124.12045	1.0
126.89056	0.8
127.03857	0.8
131.08580	0.6
133.10152	1.6
135.11694	1.7
137.13231	0.8
145.10126	1.8
147.11697	4.0
148.12009	2.7
151.07434	0.8
165.12816	1.3
166.13193	0.8
167.07021	1.4
168.07343	1.1
171.11690	0.8
177.16310	1.1
179.07002	0.7
184.82199	0.8
203.05226	2.4
222.21902	0.7
227.05208	0.8
235.16792	1.1
245.06380	5.3
267.16016	1.8
268.16269	4.3
271.04303	1.2
285.16962	5.1
286.17294	11.0
289.05331	100.0
365.67413	0.7
421.21631	1.6
439.23166	2.9
465.21103	12.9
472.92831	0.8
483.22086	93.8
484.22534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.6
55.05476	2.1
56.07109	0.6
57.34599	0.6
65.03904	0.6
67.05477	2.4
69.03397	1.2
69.07081	2.9
70.73093	1.5
71.04976	0.8
79.05455	2.3
81.03388	0.7
81.07067	4.4
83.04961	0.9
83.08588	1.2
84.28161	0.6
85.02863	1.9
85.06550	0.8
91.05447	1.8
93.07041	4.7
95.04948	1.0
95.08619	5.6
97.02871	0.7
97.06506	1.9
97.10127	2.4
105.07059	2.7
105.47051	0.6
107.08614	5.5
108.95651	0.6
109.02857	0.8
109.10150	2.8
119.08553	2.2
121.10160	7.4
123.11681	1.4
127.03905	1.4
131.08539	1.2
133.10132	1.3
135.11668	2.5
137.13239	0.9
145.10101	2.2
147.08003	0.7
147.11690	1.3
159.11743	1.6
163.03903	0.6
173.09589	0.6
173.13240	1.3
177.05460	0.7
177.16353	2.8
184.26686	0.6
203.05292	1.8
217.15872	2.0
219.71892	0.5
235.16896	0.7
245.06406	4.5
259.59293	0.6
271.04483	1.1
287.03790	1.0
289.05341	100.0
319.18451	0.7
439.23038	1.2
468.42911	0.8
483.22137	49.6
484.22516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01879	0.7
55.05512	1.2
57.03441	3.3
59.05011	1.8
61.02934	0.7
67.05498	0.9
69.03435	12.4
69.07064	1.3
70.90167	0.4
70.90519	0.6
71.04997	11.0
73.02919	1.6
73.06562	2.8
79.05496	2.7
79.05889	0.5
81.03413	1.1
81.07063	13.6
81.79951	0.3
83.04997	0.5
83.08605	0.5
85.02913	11.0
87.04478	8.4
91.05479	1.2
93.06487	0.6
93.07053	9.4
95.04996	0.4
95.08610	1.7
97.02902	13.4
97.06551	1.2
99.04459	0.6
105.07056	0.6
107.08601	7.8
109.02910	0.6
109.10155	1.2
111.04462	0.7
115.03940	18.8
123.04436	0.4
124.94568	0.4
127.03913	2.1
133.04977	18.4
135.11705	16.7
145.04991	3.2
153.12761	100.0
154.13109	0.7
163.06007	0.7
169.04932	0.5
171.13834	1.4
211.69807	0.3
223.06010	0.8
241.07072	1.0
243.09067	0.3
259.08090	2.5
259.97699	0.3
277.09247	1.0
285.17047	0.8
295.10196	2.4
369.37347	0.4
415.79288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.2
71.50426	3.6
82.06577	4.3
82.99850	7.9
84.04483	2.6
97.02866	4.5
98.97583	6.9
100.07613	14.9
101.00880	29.9
113.00887	9.9
115.02441	9.7
119.01934	28.7
119.04933	3.3
121.02857	4.0
127.02428	9.9
127.03932	5.0
129.03955	2.4
131.01932	15.0
132.71658	2.4
133.03494	16.4
139.02435	5.5
140.26083	2.2
143.01909	39.9
145.03468	28.9
146.08136	26.3
147.01331	4.4
147.03377	2.5
147.04320	13.2
155.01903	35.0
157.03477	19.1
161.02969	24.3
162.71190	2.3
167.01909	14.9
169.03468	5.1
171.05078	4.3
173.02980	30.8
173.06543	2.9
175.04498	17.4
179.01909	6.9
183.05031	3.2
184.02219	2.4
185.02988	51.0
187.04515	8.2
189.06169	2.8
197.02946	16.6
199.04509	5.7
201.00659	2.5
201.02448	42.9
201.06134	5.3
203.03996	17.7
209.03043	3.9
209.71190	2.2
213.02455	10.5
215.04036	11.1
217.05554	7.6
219.01839	3.0
219.03545	52.1
221.05081	6.8
223.04820	2.7
227.04060	8.0
231.03482	9.0
235.06673	16.6
237.02550	4.0
245.05107	100.0
249.04562	5.4
251.04437	12.7
253.07750	14.2
255.03665	4.1
257.05130	6.7
261.04709	14.4
263.06155	9.3
269.05215	2.9
273.04483	2.9
275.06094	18.3
277.07803	14.9
279.05582	4.5
289.07626	3.1
291.09277	5.7
295.08862	11.6
303.05768	20.0
305.07364	12.1
319.08740	14.3
321.06668	28.7
321.10400	8.0
331.04910	2.9
335.08389	5.5
349.05911	3.5
349.09741	36.9
363.07986	11.6
365.08789	17.0
367.10925	4.4
381.08795	3.4
393.08899	2.7
483.11957	27.1
483.18088	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03950	4.6
55.01876	1.2
57.03429	1.5
61.02934	0.9
66.18488	0.7
69.03088	1.1
69.03436	13.1
69.57567	0.6
69.77267	3.4
70.06586	1.8
71.05004	2.1
73.02923	1.3
78.03033	1.1
78.03460	15.1
80.05011	2.6
81.03426	22.3
81.07069	0.8
85.02910	14.0
86.03244	0.9
87.04445	0.7
87.28658	0.6
91.05482	2.2
93.07033	1.4
95.08540	0.8
96.04504	2.8
97.02898	8.0
98.03284	0.7
98.06046	0.7
98.09694	2.5
98.18217	0.6
99.04470	4.4
103.05457	0.7
103.53941	0.8
105.28571	0.6
106.02926	63.3
107.08578	1.4
109.02888	15.9
111.04425	0.8
116.07122	1.5
119.04944	2.2
124.03965	100.0
125.09565	0.6
127.03920	9.8
128.04280	0.7
131.04936	1.1
134.08185	0.7
135.11699	6.8
136.07564	0.7
137.05997	10.5
140.07063	4.4
141.07394	0.9
145.05002	1.7
146.05391	0.8
147.04410	6.4
150.68607	0.6
152.07047	1.3
153.09164	1.1
163.06004	1.1
164.07152	1.0
166.04962	1.0
168.06705	0.9
171.10207	1.3
178.72795	0.7
179.07074	2.1
182.08142	3.0
182.09651	0.6
183.08505	2.8
196.06067	1.1
206.08241	1.9
207.08472	1.7
232.06032	3.3
250.07137	36.3
268.08185	46.9
269.08755	0.8
272.11505	0.7
274.12790	0.6
288.14365	0.8
301.11774	0.8
302.12216	1.7
321.83081	0.7
341.33023	0.8
428.15225	1.1
446.52805	0.6
464.15628	6.3
482.18411	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49016	0.4
53.03951	0.5
59.43176	0.4
61.02923	0.7
67.05488	0.4
69.03410	1.2
69.07061	0.5
70.06592	1.1
73.31702	0.4
79.05470	0.9
80.44229	0.4
81.03410	0.8
82.52564	0.4
83.00159	0.5
84.08160	1.0
85.02908	1.7
87.04468	0.7
89.03938	0.7
90.98391	0.5
91.05506	0.7
93.07021	0.6
95.04992	0.8
95.08581	0.8
97.02898	2.4
98.01166	0.5
98.09702	0.9
99.04436	0.9
100.07650	0.5
105.07013	0.5
107.04976	1.0
109.02904	0.9
110.07191	0.6
114.05525	0.9
116.07084	0.6
119.04917	0.6
121.02860	1.2
121.06539	0.8
122.06052	0.5
123.04437	0.7
124.07618	0.7
127.03922	1.9
133.02844	0.5
136.07610	0.7
137.05986	2.5
138.05493	0.6
147.04434	1.8
149.05998	1.6
151.03928	0.6
161.06078	0.5
162.06801	0.9
162.09132	0.9
164.07068	1.1
166.05025	1.0
177.05438	1.1
180.10252	0.6
190.08685	0.6
196.09856	0.5
206.08365	0.7
208.09721	2.3
233.19170	0.6
236.10609	0.6
239.11874	0.8
255.11223	0.6
257.12985	0.7
267.11325	2.9
285.12366	4.0
299.09061	0.6
303.13412	5.4
321.14551	5.0
465.18964	0.7
483.18478	100.0
484.18848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05508	3.0
57.03427	0.9
57.30447	0.8
60.78524	0.8
61.02928	3.7
62.96601	0.8
67.05495	3.0
68.99778	1.0
69.03428	4.7
69.07072	6.2
70.06585	3.4
70.94968	1.7
71.04996	2.5
74.58253	0.7
79.05499	3.3
81.03428	1.6
81.07061	8.5
83.04954	0.8
83.08629	4.3
84.08192	0.8
85.02916	8.8
85.06529	1.6
86.09713	3.3
87.00838	3.0
91.03970	1.9
91.05478	1.8
93.07040	7.0
95.04958	1.2
95.08616	15.0
97.02890	3.1
97.10165	2.7
99.04474	1.0
99.08100	6.8
105.01871	5.7
105.07037	2.1
107.05013	0.8
107.08604	13.9
109.02878	2.1
109.10156	3.9
111.08122	1.6
113.09638	1.7
119.08562	0.9
121.06486	1.1
121.10153	26.1
123.11734	1.1
125.09634	3.5
127.03939	5.3
133.10152	0.9
135.11693	5.3
136.07587	1.0
137.13278	2.1
138.05498	1.0
145.04987	2.0
145.10062	1.0
147.04449	1.5
149.13264	1.8
153.01836	4.4
164.07048	1.5
168.00568	3.1
169.01332	1.5
177.16402	55.3
178.81612	0.7
183.03001	1.2
186.01680	0.8
195.06531	0.7
195.17459	18.2
202.15576	0.8
207.06596	0.9
213.18480	6.7
229.05072	3.8
231.05077	2.0
245.04427	1.1
257.04489	6.1
271.06122	1.1
274.04837	2.3
285.03961	5.7
301.03421	2.5
302.04239	28.9
317.06580	100.0
317.19382	3.3
318.06946	1.8
339.16519	0.8
346.25272	0.8
479.18015	1.7
479.24719	22.9
502.22147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01877	12.5
55.05526	3.0
57.03445	24.3
57.07067	2.7
59.05000	3.8
61.02929	19.7
64.89465	1.4
67.05502	3.7
69.03436	50.2
69.07074	54.1
70.06596	1.9
70.95924	2.3
71.01355	8.4
71.04974	2.5
72.04538	1.6
73.02924	96.0
79.05503	3.0
81.03426	9.3
81.07064	19.4
82.06582	1.7
85.02911	100.0
87.04482	6.8
91.03963	2.8
91.05466	1.8
93.07047	2.2
95.04967	2.5
95.08630	7.4
96.79675	1.6
97.02900	88.8
97.06533	7.9
99.03841	1.8
99.04477	6.2
101.88897	1.5
103.03956	3.8
107.08574	2.6
109.02915	8.4
109.06525	5.7
109.10149	10.4
115.03941	50.4
121.10160	4.0
123.11720	90.1
127.03932	41.1
133.04979	56.8
133.10118	2.2
137.05991	21.7
144.06572	3.8
145.04977	48.2
149.05994	1.6
151.11192	87.0
152.68819	1.8
153.05460	14.9
156.94005	1.5
161.05997	2.2
163.06026	18.5
169.12256	13.6
177.12714	1.7
179.14326	2.7
180.08690	2.8
193.04991	1.9
217.07086	2.0
223.05995	9.9
241.06989	10.6
247.13251	1.9
259.08151	13.3
265.14407	2.6
276.10834	1.9
277.09085	2.8
283.15424	43.3
294.11838	2.3
299.09244	1.6
301.10651	7.3
312.12790	1.9
313.16428	2.6
318.06866	1.9
458.09921	1.8
481.20551	2.4
501.11606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03942	1.7
55.05280	0.8
55.05519	12.1
57.03438	5.8
57.07081	5.5
60.07099	0.7
67.05186	0.8
67.05515	10.4
69.06730	1.2
69.07073	16.5
71.08642	3.6
72.45715	0.7
72.80295	0.6
79.05508	5.0
81.07057	11.2
83.08627	11.2
85.02906	1.4
85.06537	0.8
85.10146	1.3
91.05489	1.5
93.07044	6.1
95.04983	0.7
95.08613	9.9
97.06514	1.7
97.10162	7.0
105.07028	1.1
107.08621	3.6
109.10158	5.4
111.08085	1.0
111.11704	1.4
119.08632	0.9
121.10175	6.0
125.47704	0.7
135.11697	3.8
139.11192	0.9
149.13283	1.3
163.14822	1.0
265.25162	1.2
267.09055	1.1
308.29584	1.9
315.61295	1.2
317.17923	1.4
318.18549	1.0
339.28976	100.0
340.29367	1.1
349.66464	1.5
409.68924	0.7
454.72263	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
57.03439	3.1
57.07082	100.0
59.05006	64.5
69.07059	3.4
69.99721	4.7
71.08637	74.4
75.17604	0.9
83.08622	2.1
85.10191	59.9
95.08608	1.1
97.10170	3.8
99.11738	14.7
101.09669	4.3
105.20098	1.2
109.10191	1.2
111.11757	1.2
113.13337	5.0
117.09138	25.8
127.76828	1.0
129.95651	1.0
139.62175	1.0
150.70894	0.9
155.17967	9.4
158.11723	1.1
175.13313	4.0
187.94759	1.0
213.22168	17.7
228.34027	0.9
233.17461	1.3
251.18463	1.1
271.26334	20.3
329.30469	1.6
463.40216	7.7
480.35535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.0
55.01878	2.1
57.03434	4.3
61.02928	3.7
64.80144	1.1
67.05509	3.3
69.03437	12.9
69.07072	1.3
71.50967	1.6
72.87130	1.0
73.02925	2.1
79.05505	2.4
81.03417	7.4
81.07061	3.6
84.08140	1.4
85.02913	80.3
87.04484	1.6
93.07046	1.4
94.06583	1.4
95.04982	2.8
97.02902	32.2
99.04468	3.4
102.80812	1.0
103.03959	4.1
104.28811	1.0
106.02916	2.1
108.08147	6.5
109.02891	12.6
109.06567	1.4
110.06013	1.2
111.18796	1.1
112.07667	1.4
121.02878	1.4
121.10128	1.3
122.06087	5.4
124.03980	3.7
125.06008	3.8
126.05524	5.4
126.09172	3.5
127.03932	20.6
136.07593	12.9
137.05988	2.3
140.07072	59.6
143.08162	1.4
145.04970	31.2
150.09140	2.8
152.07115	13.3
154.08632	3.6
163.06046	16.2
164.07063	17.8
177.05428	1.8
178.08643	17.1
182.08141	100.0
183.02983	1.4
183.08383	1.1
202.08635	1.4
206.08142	45.7
218.08189	4.3
226.10930	1.2
227.11809	1.8
228.10382	1.2
236.09178	6.2
239.11833	2.3
242.08023	1.0
243.11255	1.2
248.09253	11.8
250.94629	1.0
255.11255	2.7
265.11920	3.9
266.10257	4.2
268.08139	1.3
270.10080	2.4
271.10852	2.9
272.11594	3.9
273.12460	4.6
283.10785	3.5
284.11292	8.8
289.11871	4.4
301.11917	13.9
302.12375	18.4
319.12918	9.4
319.17300	5.6
335.12411	3.0
400.05600	1.1
415.15051	1.2
427.15121	4.3
445.16119	4.1
463.17160	4.4
481.23117	49.1
506.95108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
53.03955	4.9
55.01868	1.3
57.03438	1.8
60.04520	0.7
69.03439	11.3
70.06606	6.2
70.88733	1.5
71.05006	1.8
73.02913	1.4
77.63366	0.6
78.03465	17.2
80.05023	1.8
81.03431	25.4
81.04544	4.1
82.04881	1.2
83.05001	0.9
84.08147	0.9
85.02917	11.6
86.09724	1.1
87.04503	0.8
89.03912	1.1
91.05482	2.4
95.06100	2.2
96.04496	3.1
96.06451	1.3
96.08179	2.0
97.02924	7.6
98.06068	3.7
98.09709	27.0
99.04486	3.9
103.05473	0.9
106.02937	61.9
107.08617	0.8
107.68860	0.7
109.02898	15.0
109.10188	1.0
116.07137	3.7
117.03414	1.1
119.04958	2.0
124.03975	100.0
125.04401	0.8
125.07150	3.6
125.09669	1.1
126.07505	1.8
127.03932	8.8
131.04976	1.6
134.08157	3.8
137.05992	12.8
137.06961	1.2
138.09174	0.7
142.08638	2.5
143.08186	15.8
144.08542	4.7
144.10216	4.8
145.02888	4.3
145.04904	0.8
146.03265	1.4
147.04457	7.6
151.07596	0.9
153.09210	1.3
159.68243	0.7
161.06078	0.9
165.09207	0.9
166.05061	1.7
171.08182	0.8
171.10190	2.2
177.05507	5.8
178.05841	2.9
179.07060	2.1
196.06149	1.0
228.12057	0.9
232.06078	2.4
250.07149	31.6
252.12405	1.1
266.12338	1.9
268.08194	42.8
270.13461	3.1
273.11716	1.2
288.14496	3.3
289.11673	1.2
290.12308	2.3
301.11420	0.9
302.12033	1.2
306.14136	0.8
320.13345	2.2
428.15369	1.5
446.15494	0.9
464.15451	4.7
482.19513	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	479.1914
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
52.08594	0.3
55.05511	0.8
67.05500	0.8
69.07066	0.3
69.50700	0.5
69.51112	1.5
70.80869	0.3
71.04998	0.4
79.05499	0.7
81.07051	0.7
83.05003	0.3
83.08633	0.5
85.02913	0.7
93.07057	0.6
95.08622	0.6
97.06556	0.8
98.21479	0.5
105.07029	0.5
109.02923	0.4
113.63475	0.2
119.08667	0.3
125.09730	0.3
134.12015	0.3
135.04405	0.3
149.02361	1.1
171.00571	0.5
179.43764	0.3
197.12967	0.3
203.05331	1.0
211.11266	0.4
243.06271	0.4
245.07857	1.3
257.09991	0.5
261.07349	1.7
275.11041	5.0
299.12576	2.4
302.04190	0.7
317.06674	2.3
317.09933	0.4
317.13660	2.3
369.23773	0.4
383.14883	0.5
387.24536	0.8
423.12637	1.4
443.27008	0.4
445.85526	0.4
453.53464	0.3
461.28287	1.0
479.18939	100.0
480.19327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
56.05040	69.8
57.03428	3.1
58.06605	9.9
61.00845	2.4
61.01155	42.2
64.19719	1.3
69.03443	2.6
69.07086	2.8
69.78801	2.2
69.79201	3.9
70.02960	5.1
70.06594	3.5
73.02932	2.3
74.06085	100.0
75.02728	2.0
79.05492	1.6
81.03436	2.2
81.07069	2.9
82.06595	3.7
83.04974	1.2
84.04511	11.2
84.08155	1.7
85.02919	3.9
85.04070	1.1
86.06070	1.6
86.09717	30.5
88.03979	5.8
91.05452	1.6
93.07035	1.5
95.04982	1.8
97.02904	1.5
97.06511	1.6
99.09265	1.2
100.04003	1.5
100.07597	1.9
101.07159	2.6
104.05336	79.3
107.04907	1.3
108.04466	8.5
110.06064	6.7
111.05570	2.2
112.11219	2.8
116.07080	1.3
119.05023	1.8
124.07559	1.8
124.11259	2.1
125.07119	4.6
126.05526	23.2
127.03930	2.1
127.05035	1.7
127.08694	3.9
128.64993	1.3
129.06628	2.8
130.05019	4.1
130.06879	4.7
130.08656	1.5
132.10213	22.6
136.03972	2.3
137.06029	1.6
138.05482	1.7
141.13876	2.9
144.06569	22.8
145.06090	2.0
151.07576	5.5
153.06599	4.0
154.05057	2.6
154.08653	3.7
155.09064	1.9
156.04796	7.5
157.07664	1.3
158.11841	2.7
164.07028	1.8
169.13420	5.3
170.12871	2.8
171.07655	6.0
171.13194	2.1
174.05858	19.1
187.14484	8.0
189.08745	11.7
197.12894	8.0
199.07162	2.8
201.06944	21.4
202.05370	3.1
207.06572	1.6
215.13916	47.0
217.08197	18.1
219.07994	17.8
230.04865	2.0
233.14984	88.7
243.13496	4.0
247.07503	44.5
264.12466	1.3
269.12845	1.5
284.16180	6.5
287.13770	2.2
299.15936	1.5
302.04245	4.2
302.11728	2.8
317.06534	10.5
317.21411	1.6
330.11160	8.9
330.16565	22.3
331.12854	2.9
333.18576	2.5
341.03275	1.4
348.12274	39.1
348.17648	6.3
397.18878	1.4
415.20172	4.8
443.19846	8.0
443.25101	1.2
461.15182	2.6
461.20764	22.6
479.16449	4.6
479.22562	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	479.119
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.70001	0.2
55.05484	0.2
55.18422	0.2
69.03415	0.4
69.07050	0.2
79.05469	0.2
81.07045	0.4
81.25040	0.2
85.02897	0.6
91.05482	0.2
93.07037	0.2
95.08578	0.4
98.21554	0.4
105.07038	0.3
107.08591	0.3
109.10182	0.4
110.03680	0.3
121.02878	0.2
121.10139	0.3
127.03912	0.2
127.60180	0.2
133.10112	0.2
137.02333	1.3
153.01845	0.9
163.03951	0.3
177.16365	0.4
178.16687	0.3
193.01372	0.4
200.04726	0.6
204.04196	0.7
213.18462	0.4
218.05722	0.2
228.04176	2.3
229.04996	0.9
245.04512	1.0
246.05356	0.2
256.03653	0.6
257.04480	1.1
273.03925	0.6
273.46689	0.2
274.04767	4.5
285.03928	1.5
301.03473	9.6
302.04242	47.3
303.04578	0.4
317.06592	100.0
318.06946	0.8
348.69766	0.2
479.11914	6.7
479.18634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03962	0.7
53.33746	0.2
55.01883	0.5
57.03447	1.8
59.05009	0.3
61.02931	2.2
67.05527	0.5
69.03436	7.2
69.07080	0.4
69.23148	1.6
71.01363	0.3
71.05011	0.8
73.02937	1.7
78.43398	0.2
79.05528	0.3
81.03413	2.8
81.07085	1.1
82.13705	0.2
83.01372	0.2
83.08652	0.3
85.02913	14.6
87.04465	1.3
91.03980	0.8
91.05500	0.3
93.07075	0.5
95.04997	0.5
95.08636	0.5
97.02901	5.0
97.03522	0.3
97.06583	0.2
97.10218	0.2
99.00813	0.2
99.04449	1.0
101.02408	0.2
103.03988	0.3
105.07059	0.4
107.08627	0.6
109.02893	1.7
109.10193	0.4
115.03960	0.2
119.08579	0.3
121.02876	0.2
121.10181	0.4
123.11728	0.2
124.07610	0.3
124.25005	0.2
127.00316	0.2
127.03917	3.3
127.04794	0.2
133.10127	0.2
134.03604	1.3
135.04466	0.2
135.11746	0.3
136.07646	0.3
140.01053	0.3
145.04951	1.9
147.04359	0.2
149.13312	0.3
153.01779	0.2
168.00557	5.8
169.01317	1.2
183.03017	0.3
186.01649	2.1
193.12318	0.4
200.04745	0.4
215.17909	0.2
218.05807	0.6
228.04176	0.5
229.04968	0.4
244.03690	0.2
245.04485	1.6
246.05226	1.0
256.03708	0.8
257.04462	0.7
267.15860	0.6
271.05994	0.5
273.03918	0.6
274.04797	0.9
284.03149	1.0
285.04025	0.4
285.16891	0.4
286.04791	0.3
287.05545	0.3
296.84305	0.2
298.04724	0.3
299.05585	0.4
301.03510	2.9
301.06766	0.2
302.04236	40.7
303.04614	0.3
315.04990	0.5
316.05716	0.6
317.06577	100.0
318.06998	0.8
326.04224	0.3
341.06769	0.3
359.07651	1.2
383.07596	0.3
443.09540	0.3
469.39700	0.2
479.11850	2.9
479.18292	0.3
479.24509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
62.15972	0.6
65.03914	0.9
67.05474	1.7
68.99787	1.1
69.07062	0.9
70.88193	0.6
79.05476	1.4
81.07069	3.2
83.08663	0.6
91.05451	2.3
93.07003	1.2
95.08564	0.9
97.06504	1.0
97.10091	0.5
98.21509	1.6
99.00801	1.3
105.06997	0.7
107.04925	1.0
107.08577	1.1
109.06501	0.8
109.10118	0.8
121.02875	4.8
127.00249	1.8
133.10085	1.2
135.08012	0.7
137.05991	56.0
141.53789	0.6
147.04356	1.5
150.57220	0.7
165.07005	1.0
167.08452	0.8
168.00560	11.4
168.01964	0.7
169.01352	7.4
171.04390	4.3
177.01840	0.7
179.03368	0.7
179.07056	6.6
181.06516	1.5
183.02896	5.4
186.01607	4.2
193.06630	0.8
194.07306	4.6
195.02859	1.8
195.08151	3.0
197.06004	2.2
198.55510	0.5
205.06511	3.4
206.07254	1.3
209.06050	1.5
210.04930	1.0
210.06755	7.8
212.04707	0.6
214.06337	0.5
221.06027	5.7
222.06775	30.8
223.07544	5.2
231.08206	0.8
235.07527	0.8
237.05385	0.9
239.65211	0.6
247.07628	0.8
248.04715	1.3
249.05534	2.8
254.05676	0.9
260.08252	1.1
263.07053	1.3
265.08264	0.6
266.05722	0.7
268.03644	0.9
274.06339	0.8
281.04272	0.7
282.05197	1.9
283.06119	0.7
285.03934	7.8
286.04745	20.7
288.07794	2.6
289.08762	0.7
293.04468	1.1
294.05212	1.9
297.03815	0.8
301.07095	49.1
302.04391	1.4
309.03943	31.8
310.04681	10.8
313.03433	9.7
316.07410	1.3
317.06552	3.5
325.03357	1.4
325.07098	1.7
326.05786	0.7
327.06186	0.7
328.05807	6.5
333.07492	1.2
334.08746	0.8
337.03568	3.6
338.04227	27.6
343.08182	57.3
344.06683	3.1
345.07660	2.2
353.06583	100.0
354.06973	1.3
355.05896	3.7
359.09351	1.0
361.07019	5.4
362.07840	2.5
369.07928	1.0
372.06326	7.6
373.07022	3.4
377.10248	2.4
385.09213	41.1
386.09515	0.7
387.08701	12.2
389.06647	7.2
390.07346	25.7
404.08636	0.7
405.09732	76.6
406.09879	1.0
414.07700	0.6
432.08505	3.2
443.31641	1.7
447.10794	73.3
448.11057	1.6
479.13416	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	479.1189
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03922	0.3
55.96954	0.1
57.03411	0.5
61.02896	0.5
66.01057	0.3
68.99780	0.2
69.03432	1.7
69.04485	0.1
70.62819	0.4
71.04958	0.2
73.02898	0.3
78.01053	0.1
81.03394	0.6
85.02912	3.5
87.04435	0.6
87.05851	0.1
91.03933	0.2
91.05446	0.1
92.02599	0.2
97.02901	1.2
99.04469	0.2
103.03878	0.2
109.02883	0.4
110.03676	0.7
115.03942	0.2
126.17268	0.1
127.03944	0.7
137.02351	1.4
137.03316	0.2
145.04939	0.3
146.41342	0.1
153.01839	1.5
193.01321	0.4
200.04671	0.6
201.05548	0.2
204.04211	0.6
217.04926	0.4
218.05785	0.3
228.04182	2.4
229.04974	1.3
243.06461	0.2
245.04474	1.3
246.05267	0.2
255.73328	0.1
256.03650	0.9
257.04465	1.2
271.05997	0.2
273.03934	1.1
274.04730	5.5
275.05331	0.2
285.03949	1.0
289.07129	0.2
301.03455	12.9
302.04230	60.1
303.04742	0.4
313.03616	0.2
315.04990	0.4
316.05734	0.6
317.06577	100.0
318.06940	1.0
330.58228	0.1
359.07697	0.9
377.10034	0.2
402.51215	0.2
405.09802	0.3
417.09912	0.2
479.11896	35.1
480.12228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
53.43346	0.2
55.01877	0.4
55.05510	0.4
57.03446	1.3
57.07057	0.2
61.02930	3.2
67.05498	0.3
68.99804	0.3
69.03433	4.8
69.07076	0.5
70.06607	0.2
70.52213	0.3
70.52564	0.5
71.01363	0.3
71.05010	0.8
73.02915	1.2
79.05500	0.4
81.03427	1.4
81.07047	1.1
83.01376	0.2
83.08620	0.3
85.02910	10.2
86.09758	0.4
87.00809	0.3
87.04481	0.7
91.03961	1.3
91.05508	0.3
92.02641	0.2
93.03431	0.4
93.07069	0.6
95.04980	0.3
95.08595	1.0
97.02896	3.9
97.10195	0.2
97.81430	0.2
99.04444	0.8
101.02399	0.2
103.03935	0.2
105.01875	0.2
105.07042	0.3
107.08630	0.7
109.02866	1.4
109.10178	0.6
111.04480	0.2
115.03940	0.2
119.08659	0.2
121.02888	0.6
121.10177	0.6
124.07626	0.9
127.03922	2.1
133.10187	0.2
134.03665	0.7
135.11743	0.3
136.07602	0.5
137.02359	0.3
137.05995	0.2
137.13283	0.2
139.11121	0.2
141.81885	0.2
145.05016	0.9
145.06369	0.2
147.04463	0.3
147.85873	0.2
151.03922	0.6
153.01823	3.5
163.03929	0.2
164.65192	0.2
165.01888	0.4
168.00566	2.6
169.01297	0.5
174.60240	0.2
176.04637	0.2
177.05495	0.2
177.16406	1.1
183.02869	0.4
186.01665	1.1
195.17491	0.7
200.04694	0.4
201.05510	0.4
203.03401	0.3
204.04250	0.2
205.83073	0.2
217.05060	0.4
218.05818	0.6
228.04190	1.1
229.05031	1.5
231.19409	0.2
243.06891	0.2
245.04510	1.7
245.22653	0.3
246.05223	1.3
256.03760	0.6
257.04355	1.4
261.07693	0.2
263.23605	0.2
271.06018	0.4
273.03961	1.1
274.04672	3.0
282.05151	0.2
284.03287	0.4
285.03845	1.7
286.04733	0.4
287.05499	0.4
299.05380	0.3
301.03455	3.2
301.07117	0.6
302.04227	29.3
303.04630	0.4
315.05139	0.3
317.06567	100.0
318.06924	0.8
326.03931	0.3
329.06525	0.3
341.06631	0.3
359.07611	1.0
383.07751	0.4
479.11737	1.9
479.17648	0.3
479.24698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
54.66464	0.4
60.46667	0.4
85.02898	0.5
110.92490	0.4
111.21191	0.4
123.87556	0.4
126.01027	0.4
134.03633	1.5
140.01041	0.7
168.00577	7.5
169.01344	1.1
183.02893	0.5
186.01602	2.1
218.05743	0.5
226.90230	0.4
228.04175	0.8
245.04475	1.3
246.05240	1.3
256.03647	0.6
271.05869	0.7
274.04605	1.2
284.03244	0.8
301.03467	3.6
301.06580	0.7
302.04227	48.3
317.06580	100.0
318.06763	1.4
423.78021	0.6
479.20996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.2
67.05468	0.2
68.99770	0.2
69.03403	0.3
69.07052	0.2
70.45090	0.3
70.45457	0.3
79.05479	0.2
81.03396	0.3
81.07021	0.4
85.02906	0.7
86.09674	0.2
87.00761	0.2
91.05445	0.2
92.02618	0.2
93.07011	0.2
95.08607	0.8
96.08909	0.2
97.02851	0.3
100.87540	0.2
105.01859	0.2
105.03344	0.2
105.06973	0.2
107.08544	0.3
108.08890	0.2
109.10120	0.4
110.03626	0.6
113.26230	0.1
116.26624	0.1
119.08559	0.2
120.50385	0.1
121.02829	0.2
121.10155	0.9
122.10452	0.2
127.03925	0.3
131.04866	0.1
133.10121	0.2
135.11626	0.2
137.02332	1.3
149.13312	0.2
150.03069	0.3
151.03816	0.2
153.01813	1.1
155.51788	0.1
176.77295	0.1
177.05566	0.2
177.16376	1.0
178.16759	1.0
192.42152	0.1
193.01303	0.4
200.04707	0.4
204.04201	0.5
213.18497	0.3
218.05699	0.2
228.04172	2.6
229.05034	1.2
245.04417	1.1
246.05000	0.2
256.03711	0.7
257.04492	1.2
273.03955	0.7
274.04745	4.8
285.03976	1.1
299.05722	0.2
301.00656	0.1
301.03442	10.3
302.04227	48.5
303.04709	0.3
317.06573	100.0
318.06900	0.9
479.11923	6.9
479.18268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05830	0.1
57.51672	0.2
68.99793	0.3
69.03424	0.2
70.90007	0.2
70.90331	0.2
85.02917	0.5
85.71924	0.1
99.00816	0.2
112.01599	0.3
127.00271	0.4
134.03645	1.5
135.04465	0.2
140.01094	0.5
145.04918	0.2
168.00563	8.2
169.01340	1.7
183.02925	0.5
186.01624	2.0
200.04745	0.3
209.15477	0.1
217.04948	0.1
218.05772	0.8
228.04196	0.7
229.05013	0.3
245.04442	1.7
246.05255	1.8
256.03799	1.1
257.04468	0.7
271.06046	0.8
273.04068	0.4
274.04715	1.1
284.03110	0.6
285.04044	0.5
299.05582	0.4
301.03461	3.6
302.04233	50.4
303.04694	0.3
317.06577	100.0
318.06958	1.1
438.11493	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05511	0.3
57.03432	0.5
61.02932	5.6
62.86774	0.2
63.67407	0.2
64.71041	0.2
65.67040	0.2
67.05499	0.5
68.99812	0.5
69.03426	1.6
69.07069	0.4
69.25071	2.1
71.04970	0.3
72.33268	0.2
73.02922	1.4
81.03410	0.6
81.07068	0.5
85.02916	6.3
85.06538	0.3
85.09126	0.2
87.00823	0.2
87.04465	0.3
91.03977	2.8
91.05489	0.5
92.02618	0.5
93.03419	0.5
93.07048	0.6
95.04941	0.3
95.08627	1.3
97.02901	2.9
98.21127	1.0
99.04462	0.5
105.01849	0.4
107.04951	0.6
107.08569	0.7
109.02891	0.6
109.10174	0.4
115.03923	0.4
119.04960	0.2
121.02895	1.1
121.10142	1.0
123.04430	0.3
126.03059	0.2
127.00275	0.2
127.03959	1.5
134.03639	0.4
135.08037	0.2
135.11676	0.4
136.07579	1.0
137.02345	0.3
137.05928	0.3
139.03891	0.7
145.04967	0.8
147.04427	0.5
151.03915	0.4
153.01842	5.8
163.03923	0.4
164.07018	0.9
165.01843	0.6
165.05492	0.3
168.00540	2.4
169.01312	0.3
173.05952	0.3
175.03899	0.4
177.05443	0.6
177.16364	1.3
183.02867	1.0
183.07437	0.2
186.01608	0.7
195.17516	1.1
201.05441	0.9
203.03357	0.4
204.04472	0.3
207.06538	0.5
213.18497	0.3
217.04976	1.0
218.05695	0.4
219.06531	0.3
223.06116	0.3
225.07535	0.3
228.04144	1.6
229.05013	2.3
231.02843	0.3
231.19539	0.9
232.03716	1.6
243.79565	0.3
245.02156	0.2
245.04480	1.4
246.05292	1.6
247.05942	0.5
256.03622	0.7
257.04437	1.8
260.03162	0.5
261.07556	0.5
271.06168	0.3
273.03879	1.7
274.04742	3.9
284.03113	0.5
285.03925	3.6
286.04703	1.7
287.13791	0.3
299.05472	0.3
300.06204	0.5
301.03589	0.5
301.06952	2.7
302.04208	17.6
302.06937	0.6
313.19879	0.3
315.05405	0.3
315.08624	2.1
316.08957	2.6
317.06531	100.0
318.07001	1.1
329.06564	1.0
331.17300	0.3
341.06589	0.4
359.07501	0.9
383.07623	0.7
461.11224	0.5
478.33414	1.7
479.12036	0.8
479.25339	0.5
479.33508	0.4
481.61847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	31.0
57.07085	12.0
65.87418	10.5
67.05501	52.3
68.79799	11.3
69.07047	31.2
70.10194	21.7
70.10588	24.1
79.05487	34.8
81.03404	15.1
81.07050	50.8
83.08623	20.9
83.23669	11.0
85.91902	10.2
91.05483	36.6
93.07030	33.4
95.08608	50.1
97.06514	18.2
97.10164	22.1
103.35406	9.4
105.07043	29.2
107.08596	42.8
109.10130	33.9
112.03011	10.1
119.08601	54.8
121.10126	29.2
123.11690	14.6
125.09649	20.1
133.10165	21.0
135.11670	13.8
145.10133	31.3
147.07991	13.1
147.11716	17.2
159.11673	32.2
161.13248	26.5
163.14859	13.7
171.11720	12.5
173.13300	13.8
183.97652	11.7
187.14856	19.7
189.16440	17.2
201.16383	38.1
203.17973	24.3
203.53418	11.0
207.13676	14.2
233.15263	13.6
237.07527	12.6
247.16937	45.5
268.16370	13.1
288.66660	13.4
302.04202	10.5
309.03873	24.4
310.04343	48.1
310.07776	9.7
311.04785	13.5
339.04550	19.7
353.06616	31.6
354.06943	79.2
368.22931	17.4
386.24017	26.2
404.25143	14.6
437.34225	100.0
441.38922	13.3
460.27704	38.5
472.22818	10.4
478.12137	33.4
478.28632	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.65822	0.2
53.03941	0.8
53.26198	0.3
54.38400	0.2
55.05518	10.3
55.12111	0.3
57.03159	0.4
57.03442	5.7
57.07082	1.3
62.06082	0.3
65.03934	0.9
67.05512	22.8
69.07073	14.5
69.17536	1.2
69.17962	1.6
71.04996	0.6
71.08621	0.5
79.05074	0.5
79.05499	5.8
81.07062	23.4
83.04986	0.7
83.08627	7.1
85.06564	0.6
85.10193	0.6
91.05485	4.2
93.07048	6.9
95.04960	0.4
95.08615	17.3
97.06532	1.9
97.10175	3.4
98.98497	0.4
99.08081	0.5
105.07046	3.1
107.08594	3.6
109.10166	6.1
111.08061	0.5
111.11721	0.5
111.85609	0.3
119.08590	2.6
121.10157	2.5
123.08065	0.5
123.11738	2.8
124.01596	0.6
125.09634	0.6
133.10161	2.5
135.11716	1.3
137.13252	0.8
147.11691	1.5
149.13257	0.9
151.14873	0.4
161.13257	1.2
163.14824	0.8
175.14824	0.9
177.16437	0.5
197.72691	0.3
198.05252	0.3
216.06337	0.8
245.22661	0.4
263.23688	0.7
306.27933	2.4
337.27386	100.0
338.27557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01848	0.8
55.05518	4.3
57.07053	0.8
62.06091	1.2
67.05517	7.4
69.07069	5.3
79.05495	2.4
79.44753	0.7
81.06651	0.6
81.07067	6.2
83.08617	2.3
85.05307	1.7
86.06046	0.6
87.00298	0.6
88.07616	0.6
89.06042	1.0
91.05474	1.1
93.07044	2.0
95.08620	5.6
97.10192	1.0
98.06068	8.9
98.20762	1.7
107.08608	0.7
109.10177	1.2
112.07597	1.4
121.10120	0.8
133.10092	0.9
137.13255	0.7
149.02342	1.6
173.13263	0.7
184.07358	1.3
193.04950	1.7
196.17052	1.1
209.30989	0.6
256.26251	1.0
306.27942	100.0
307.28064	1.6
337.27328	1.4
478.35489	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.92815	0.9
53.03934	1.1
55.01871	1.1
55.05518	9.9
57.03448	4.7
57.07085	1.4
62.06094	33.5
65.03958	1.3
66.45904	0.8
67.05513	26.4
69.07077	12.3
70.82211	2.5
79.05495	7.2
81.07061	25.6
83.04938	1.1
83.08644	5.3
83.24247	0.9
91.05503	3.1
93.07057	8.7
95.08620	20.3
97.06538	1.7
97.10195	2.7
98.06071	2.2
98.98472	7.9
105.07032	4.4
107.08590	5.7
109.06547	1.0
109.10163	6.7
111.08046	1.2
119.08573	1.9
121.10138	4.4
123.11739	3.6
124.01637	2.0
127.75889	1.0
133.10144	2.4
135.11711	2.6
137.13210	1.0
142.02640	1.9
147.11687	2.2
155.01030	3.4
161.13286	1.2
163.14888	1.5
173.02055	1.4
198.05200	1.5
216.06313	3.0
245.22632	1.8
263.23715	6.1
306.27963	26.3
315.14163	1.0
337.27396	100.0
338.27771	2.1
414.39899	1.1
417.24216	1.8
460.27930	5.8
478.29276	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	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26849	0.5
50.99903	0.5
53.03950	1.0
55.05514	3.7
57.07067	0.7
58.41150	0.5
59.93248	0.5
67.05502	2.0
69.03094	0.5
69.03428	2.2
69.07073	6.2
69.73381	2.0
69.73798	0.8
71.04984	1.3
72.16332	0.5
73.02900	1.0
78.53654	0.5
79.05509	3.6
81.03399	0.6
81.07058	9.7
83.08614	5.6
83.40711	0.5
84.33604	0.5
85.02912	6.0
87.00809	2.5
91.05475	2.4
93.07049	8.2
95.08612	25.4
97.02890	2.4
97.10182	2.9
99.04454	0.7
99.08096	2.7
105.01875	9.5
105.07025	1.5
107.08604	22.9
109.02883	1.5
109.10162	5.0
109.24265	0.5
113.09662	3.1
119.08575	0.7
121.10153	32.4
121.40691	0.5
125.09634	1.5
127.03924	4.3
133.10115	0.5
135.11688	5.8
137.13274	4.1
139.11221	1.0
145.04991	4.0
149.13307	2.4
159.02953	0.8
175.14801	1.1
175.97012	0.6
177.16399	100.0
178.16743	0.8
195.17459	8.0
226.06148	0.7
231.04977	3.5
249.06053	2.7
254.05750	1.4
255.06087	2.6
258.18250	0.6
282.05295	1.6
283.05573	1.8
284.09811	1.4
300.06042	0.8
301.06616	1.4
315.08636	4.3
316.08990	11.2
478.14484	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	478.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01861	0.3
55.05307	0.3
55.05521	3.3
57.03444	0.8
57.07072	1.1
61.02925	0.8
67.05523	2.3
69.03442	2.7
69.06731	0.4
69.07084	5.8
69.66602	1.7
70.03764	0.4
71.05022	1.9
71.08653	0.4
73.02908	0.6
76.58587	0.3
79.05514	3.1
81.03418	1.2
81.07073	9.6
83.08635	5.1
85.02921	6.9
85.06565	0.8
86.03260	0.6
87.00853	2.5
91.05481	1.7
93.06488	0.5
93.07057	7.8
95.04981	0.4
95.08626	22.4
97.02915	2.5
97.10185	2.7
99.04451	0.8
99.08118	2.9
105.01201	0.6
105.01884	9.0
105.07050	1.7
107.08617	17.7
109.02950	1.5
109.06525	0.3
109.10175	4.6
111.08110	0.3
113.09673	2.2
119.08614	0.9
121.10169	31.1
123.11753	0.6
125.09624	0.6
125.13309	0.7
127.03951	5.7
133.10172	0.4
135.11720	5.3
137.13269	3.1
139.11234	0.7
145.04980	3.2
147.30782	0.3
149.13318	2.2
159.02887	0.5
161.67784	0.3
175.14880	1.2
176.15201	1.0
177.16420	100.0
178.16724	0.6
195.17496	9.1
211.16931	0.5
212.17336	0.5
226.06279	0.7
227.06625	1.2
229.18120	0.6
230.18378	0.8
231.04997	3.7
249.06125	2.7
254.05721	2.3
255.06131	4.2
255.81671	0.3
261.35895	0.3
271.05829	0.3
272.06519	0.3
282.05258	1.5
283.05624	3.2
284.09866	1.5
300.06219	1.2
300.75613	0.3
301.06644	1.9
314.07425	0.5
315.05179	0.5
315.08688	7.0
316.09030	17.3
340.09232	0.4
358.10028	1.0
382.93643	0.4
478.14417	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	477.2849
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
53.03944	8.3
55.01875	12.5
55.05274	3.3
55.05517	45.5
57.03435	13.8
61.97311	2.5
61.98691	2.0
63.17517	2.0
63.49245	1.9
65.03934	2.4
67.05514	44.5
68.94159	2.0
69.03421	7.9
69.07078	18.0
69.15405	5.8
69.15809	17.3
70.04287	2.0
71.04999	4.2
79.05068	3.6
79.05504	50.5
81.03424	48.7
81.07066	40.0
83.05002	10.3
83.08627	28.4
85.02877	2.6
85.06562	3.3
91.05484	32.0
93.07050	26.6
95.04978	26.2
95.08617	21.8
95.62332	2.2
97.06521	7.8
97.10178	32.6
98.20773	3.8
98.47457	2.2
103.05460	2.3
105.07034	29.6
107.04967	21.4
107.08611	21.9
109.06532	8.4
109.10152	10.5
111.08077	5.0
117.07034	14.9
119.08578	18.9
121.06517	27.4
121.10159	8.5
123.04465	3.1
123.08066	8.7
123.11742	2.9
125.05963	2.5
125.09644	26.9
128.06244	2.4
129.07036	14.6
131.04948	5.4
131.08572	19.9
131.94948	2.1
133.06554	10.4
133.10139	9.0
135.04451	3.0
135.08037	7.2
135.11678	4.2
137.09630	3.2
141.07057	3.5
142.07825	2.9
143.08592	8.8
145.06491	16.0
145.10210	11.3
147.08057	9.7
147.11758	9.9
149.09637	3.4
153.09094	5.3
155.08524	4.2
157.06491	2.7
157.10161	11.0
159.08073	4.3
159.11592	3.1
161.05971	4.8
161.09610	4.8
161.13341	2.3
163.11221	2.4
165.09116	2.4
167.08563	2.9
169.10126	4.1
171.08087	4.5
171.10219	4.6
171.11725	7.2
173.09615	5.2
173.13286	3.1
175.11162	9.0
181.10204	3.3
183.11688	2.7
185.09726	4.0
185.13310	3.2
187.11269	2.7
187.14861	4.3
189.11185	9.7
189.12724	3.6
193.12239	28.9
195.11780	3.6
197.13274	3.6
199.11261	3.0
205.12224	2.6
211.13257	3.7
213.12839	2.5
215.14340	4.2
223.13269	2.7
225.12807	3.4
227.12675	13.8
231.13853	2.8
233.15405	15.9
249.14864	3.5
255.13680	3.2
259.13223	3.5
267.15939	38.9
273.14890	11.6
323.20123	4.3
339.23087	6.1
341.21112	8.5
349.21649	9.5
357.24213	9.6
359.22076	2.4
360.13217	2.3
367.22748	29.1
385.23758	58.7
403.24847	25.3
415.24841	5.7
415.65909	2.2
433.25931	20.1
441.26385	5.8
459.27451	100.0
477.28296	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01872	10.3
55.05512	40.2
56.21406	1.9
57.03442	11.3
57.07064	2.8
59.05000	4.6
65.03944	4.1
67.05507	50.9
67.62034	1.8
69.03422	7.4
69.07073	22.4
69.62766	10.0
71.04984	6.2
73.02897	1.9
77.03925	1.9
79.05497	57.0
81.03425	69.1
81.07058	58.7
83.05003	15.2
83.08626	31.3
85.02888	2.1
85.06531	5.2
85.25376	2.0
87.04448	2.2
89.06014	5.2
91.05485	79.8
93.07053	37.2
95.04966	30.1
95.08617	23.2
97.02882	4.7
97.06532	10.9
97.10174	27.1
101.06063	1.8
105.04555	2.6
105.07033	47.1
107.04960	22.9
107.08602	24.2
107.65244	1.9
109.02866	2.1
109.06535	6.3
109.10172	15.2
111.04444	3.3
111.08098	9.1
115.05418	3.4
117.07011	14.2
119.04947	6.2
119.08591	29.0
121.06486	17.6
121.10149	11.9
123.04413	2.3
123.08055	5.6
123.11692	12.4
125.09633	21.6
128.06215	2.8
129.07018	25.3
131.08566	21.9
133.06511	8.7
133.08598	4.2
133.10124	23.8
135.04352	2.7
135.08043	6.4
135.11707	7.1
137.05966	3.1
141.06985	4.7
142.07782	3.9
143.08574	8.1
145.06473	9.9
145.10138	15.2
147.04449	11.1
147.08046	8.3
147.11693	16.2
149.09642	9.0
149.13257	4.6
153.06976	2.0
153.09122	4.4
155.08546	5.4
157.06531	2.7
157.10135	18.4
159.08078	4.6
159.11742	4.5
161.09654	3.0
163.11205	5.4
165.09111	4.9
167.14421	1.8
169.10135	3.8
171.08044	3.8
171.10237	3.5
171.11697	7.6
173.09621	3.3
175.11215	18.0
181.10118	3.5
183.11703	1.9
185.13219	2.1
187.11279	3.2
187.13205	4.3
187.14815	2.6
189.11209	11.1
189.12679	4.0
193.12260	33.8
195.11722	4.2
195.13765	2.4
197.13321	3.0
199.11217	4.7
205.12305	2.3
211.11417	2.6
211.13306	6.8
215.14343	5.9
217.12196	6.8
225.12628	2.6
227.12706	13.7
231.13887	2.8
233.15338	9.2
235.13283	3.7
237.12808	4.2
241.14282	3.0
243.15984	4.0
245.15637	2.5
249.14880	6.2
263.16461	2.5
267.15930	69.2
273.14792	10.1
291.15921	8.5
321.21896	2.1
339.23248	3.4
341.20901	2.7
347.18979	2.0
349.21634	11.9
357.24338	6.3
367.22684	28.7
385.23734	45.9
403.24744	14.4
433.25671	7.5
441.26288	5.3
459.27420	100.0
460.27786	2.4
477.11899	23.0
477.27692	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.7
55.05520	33.5
57.07082	38.9
59.04998	13.4
63.96905	5.2
67.05515	28.0
69.07083	60.9
71.04988	12.4
71.08635	26.7
79.05504	31.7
81.07066	100.0
83.08623	36.0
85.06544	8.6
85.10197	11.5
89.06032	16.4
91.05499	13.7
93.07049	35.6
95.08624	79.6
97.10194	24.3
97.25722	4.9
98.17399	5.0
99.04451	16.6
105.07022	14.6
107.08601	30.3
109.06543	12.7
109.10182	37.1
111.04460	12.0
111.11750	13.9
119.08578	18.8
119.44883	5.6
121.10159	28.3
123.08076	7.4
123.11714	31.1
125.06011	12.9
127.03946	35.0
133.08629	5.6
133.10170	10.6
135.08104	8.6
135.11705	22.7
137.05992	88.9
137.13280	8.8
147.11722	8.6
149.09647	9.1
149.13284	13.5
151.07623	8.1
155.07063	6.1
159.11757	11.2
161.13142	6.1
163.14934	10.0
167.07007	8.8
173.09573	6.0
175.11147	6.4
175.14799	9.4
177.09146	16.9
179.07065	7.0
183.06554	35.1
185.09650	5.6
187.11151	9.8
203.10643	34.4
207.21016	5.8
229.19246	5.8
235.09715	19.2
275.27408	14.4
315.30353	6.1
333.31598	9.4
375.25378	5.4
381.31305	8.1
399.32568	25.4
417.33688	13.8
441.33533	7.6
459.34897	39.2
477.35422	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	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05308	0.6
55.05516	6.3
57.03429	0.9
57.07076	1.6
58.28542	0.7
64.76537	0.6
67.05495	2.8
69.03442	3.3
69.07078	9.9
70.95474	0.6
70.95843	1.7
71.04982	2.7
71.08656	0.7
74.47590	0.5
75.89656	0.6
77.34431	0.6
79.05500	5.0
81.03422	1.4
81.07065	13.4
83.08631	7.1
85.02917	7.5
85.06531	1.8
87.00858	3.1
91.05476	2.3
93.07052	11.5
95.08617	30.7
97.02922	2.9
97.10188	3.4
99.04447	0.8
99.08087	3.8
105.01871	8.9
105.07026	2.5
107.08607	26.6
109.02889	1.6
109.10170	5.7
113.09659	3.0
119.08549	0.6
121.10157	40.7
123.11722	0.7
125.09605	1.5
127.03925	6.0
133.10179	1.3
135.11693	8.1
137.13264	4.8
139.11182	0.6
145.04991	4.2
149.13306	3.2
158.90448	0.6
159.02855	0.7
160.89755	0.7
175.15002	0.8
177.05515	1.1
177.16406	100.0
178.16765	1.2
183.75157	0.7
195.17462	7.3
231.04993	3.9
249.06108	1.9
284.09796	3.1
315.08615	1.0
316.08951	3.0
478.28159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44380	0.8
53.03936	4.3
55.01864	4.0
55.05515	21.3
57.03431	4.1
57.07071	3.1
58.54933	0.9
59.05000	4.6
61.02925	1.1
61.90329	0.9
67.05511	18.3
69.03430	15.7
69.07069	10.5
69.23978	3.3
69.24400	5.7
69.95416	0.9
71.01372	1.0
71.04980	5.2
73.02927	2.0
74.01812	1.0
79.05499	12.1
81.03423	15.2
81.07064	18.7
83.04983	19.4
83.08627	15.6
85.02917	14.3
85.06558	7.3
87.00835	4.7
87.04462	1.1
88.09660	0.9
91.05492	8.6
93.07056	11.6
95.04968	7.7
95.08147	1.0
95.08617	10.8
97.02891	3.7
97.06530	6.3
97.10186	9.4
99.04429	3.5
99.08121	4.6
101.06004	1.1
103.05499	0.9
105.01875	2.5
105.07047	7.3
107.04971	6.8
107.08604	14.9
109.02869	5.0
109.06513	3.6
109.10168	33.0
111.08089	4.1
113.06023	1.6
117.07027	2.8
119.08605	6.6
121.06499	6.9
121.10177	6.4
123.08092	2.6
123.11718	15.4
125.09643	11.2
127.03928	6.6
127.07558	1.1
127.11187	10.3
129.07018	2.8
131.04901	1.5
131.05896	0.9
131.08569	4.5
131.73497	1.0
133.06500	2.2
133.10114	5.3
135.08118	2.2
135.11703	9.8
137.05934	1.3
137.09625	2.3
141.06958	1.1
141.12732	1.5
143.08496	1.3
145.05049	1.7
145.06505	5.2
145.10176	3.1
147.04422	1.1
147.08012	1.3
147.11691	2.8
149.09633	2.2
149.13264	6.3
151.07497	1.7
151.11145	4.5
151.14828	1.4
153.09140	1.5
153.12761	4.2
156.09341	1.0
157.10117	2.1
159.02879	1.7
159.11722	1.1
163.11246	1.2
167.07050	1.1
167.14320	10.5
169.12259	21.4
171.11696	1.1
171.13834	2.1
173.09627	1.5
173.13435	1.0
173.79083	0.9
175.07829	1.0
175.11186	1.6
175.14847	5.0
183.13821	1.0
185.09589	1.5
185.13870	1.3
185.15404	9.2
187.11278	1.6
189.11240	3.4
189.12764	1.1
193.12215	4.4
193.15944	9.7
209.13382	1.1
209.15363	4.0
211.16937	54.2
212.02057	0.9
215.14352	1.0
227.12790	2.7
229.18002	100.0
230.18373	1.2
231.05034	1.1
233.15346	1.6
253.17914	1.1
254.05818	2.7
255.13853	1.4
267.15991	5.0
273.14938	2.0
282.05219	3.1
300.06268	4.0
315.08636	15.2
315.12000	1.1
331.08408	1.0
339.23160	1.4
341.21219	1.5
349.21716	1.1
367.22754	8.1
385.23758	12.8
403.24863	3.9
433.25937	2.1
438.45956	1.1
451.57709	1.2
459.21808	1.1
459.27383	19.5
477.14127	2.6
477.28622	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68761	0.3
52.32206	0.3
53.03955	0.7
54.65126	0.3
55.01879	0.6
55.05269	0.4
55.05518	4.6
57.03436	1.1
57.07080	0.6
59.05005	0.9
61.02927	0.6
64.16203	0.3
67.05523	3.2
68.99797	0.4
69.03433	4.3
69.07081	2.3
70.76683	0.7
71.04997	1.6
73.02900	0.3
79.05499	1.1
81.03429	2.4
81.07067	3.2
81.41638	0.3
83.04992	7.2
83.08630	4.9
85.02438	0.4
85.02920	5.1
85.06564	2.6
87.00848	2.1
87.04476	0.6
91.05474	0.9
93.07053	1.9
95.04990	1.1
95.08613	2.1
96.28698	0.3
97.02918	1.6
97.06548	1.0
97.10158	1.1
99.04471	0.9
99.08110	1.3
101.06000	0.8
105.01881	1.0
105.07036	0.8
107.04954	0.3
107.08610	3.9
109.02908	1.6
109.06553	0.3
109.10178	10.0
111.08099	0.7
111.11794	0.3
113.06019	0.9
119.08601	0.9
121.06557	0.4
121.10171	1.5
123.08048	0.5
123.11727	5.4
125.09655	2.6
127.03937	3.1
127.07609	0.3
127.11198	4.3
132.05746	1.2
133.06500	0.5
133.10193	1.4
135.11713	2.8
137.09608	0.7
145.04948	0.9
149.13280	1.5
151.07510	0.3
151.11227	1.1
153.12782	0.8
159.02921	1.0
166.04720	0.3
167.14348	5.2
168.00558	2.3
169.12262	9.7
175.14896	1.2
185.15405	5.3
186.01663	1.1
193.15912	3.1
208.95599	0.3
209.15424	0.4
211.16966	24.6
229.05171	0.7
229.18028	38.5
230.18346	0.6
231.04984	0.5
254.05803	1.2
257.04529	1.6
269.04483	0.4
269.08234	0.5
270.05487	0.5
271.06104	0.8
272.06723	1.3
282.05276	0.7
285.03979	5.9
299.05560	6.3
300.06329	51.4
301.06631	0.7
315.08661	100.0
316.09085	1.6
357.39871	0.4
452.49982	0.3
459.22083	0.8
477.28668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.14
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03953	0.6
55.01851	0.4
55.05490	1.2
55.05728	0.2
57.03449	1.5
57.07067	0.3
57.52648	0.3
59.04998	0.4
61.02930	1.6
67.05483	0.9
69.03445	7.2
69.07054	0.8
69.97129	1.2
71.04989	0.8
73.02926	1.5
81.03426	2.3
81.07058	0.9
83.05013	1.8
83.08614	1.0
85.02925	11.2
85.06535	0.6
87.00824	0.5
87.04465	1.0
91.03935	0.4
91.05439	0.3
91.17427	0.3
93.07057	0.7
95.08592	0.9
97.02393	0.3
97.02927	3.4
99.04439	1.0
99.08071	0.4
101.02379	0.7
103.03930	0.8
105.07018	0.3
107.08578	0.8
108.02113	1.3
109.02910	2.1
109.10171	2.8
112.43084	0.3
118.04183	0.4
119.08592	1.0
121.10219	0.4
123.11692	1.2
125.09616	0.8
127.03918	2.4
127.11208	1.5
133.10081	0.5
134.10396	0.3
135.11670	1.0
145.04953	0.8
149.13234	0.5
151.11147	0.5
160.85912	0.4
167.14378	1.4
169.06554	0.6
169.12294	2.6
175.14890	1.7
176.15184	1.3
185.15445	0.8
193.15913	1.0
197.06020	0.7
211.16974	6.5
225.05595	0.3
226.06296	8.7
229.18048	10.8
254.05791	24.5
270.05255	0.5
271.06079	1.0
282.05276	19.8
283.05923	0.4
285.07547	0.4
297.07587	0.3
299.05524	1.2
300.06332	11.8
313.07129	3.1
315.08676	100.0
316.09149	0.8
339.08801	0.7
353.30994	0.3
357.09769	4.8
381.09821	0.3
477.14023	23.1
499.65836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1402
Annotation	Kakkalidone
Peak:m/z	Relative Intensity
50.55809	0.3
53.03929	0.6
53.59075	0.2
55.01847	0.7
55.05516	2.9
57.03401	0.9
57.07058	0.3
65.03925	0.4
66.95282	0.2
67.05510	3.0
68.59607	0.2
69.03392	1.1
69.07074	2.1
70.80299	0.6
70.80659	0.4
71.04961	0.6
79.05504	3.6
81.03430	3.5
81.07065	3.9
83.04987	1.7
83.08636	1.9
85.02921	1.6
85.06508	0.9
87.00802	0.4
91.05500	2.6
93.07054	2.5
94.96963	0.2
95.04979	2.1
95.08621	3.4
97.02886	0.5
97.06531	2.8
97.07539	0.2
97.10175	1.8
98.06844	0.6
99.04439	0.5
99.08080	0.4
105.07052	2.1
107.04982	1.3
107.08612	2.6
109.02842	0.9
109.06454	0.8
109.10173	3.3
111.08107	0.5
115.05422	0.3
117.03387	0.5
117.07004	0.8
119.08601	2.0
121.02831	0.3
121.06489	1.1
121.10120	1.1
123.08041	0.6
123.11733	1.3
125.09654	1.3
127.03880	0.9
127.11164	0.6
128.06134	0.3
129.06952	0.8
129.32922	0.2
131.04941	0.5
131.08531	1.1
132.05724	1.6
133.06465	1.1
133.10155	1.5
135.04364	0.3
135.08037	0.9
135.11662	1.0
137.05966	0.4
137.09581	0.3
137.13338	0.3
139.11116	0.3
140.01022	0.3
142.07820	0.4
143.08591	0.6
145.06523	1.4
145.10109	0.9
146.86290	0.3
147.04411	0.3
147.07953	0.6
147.11624	0.9
149.05983	1.4
149.09637	0.5
149.13257	0.5
151.03940	1.8
151.07541	0.7
151.11205	0.5
153.09094	0.4
155.08545	0.4
157.06454	0.3
157.10147	0.7
159.08058	0.4
159.11707	0.6
163.11171	0.5
165.09085	0.5
167.14377	0.5
168.00563	2.9
169.10060	0.4
169.12222	1.0
171.08078	0.5
171.11716	0.5
173.09625	0.4
175.11192	0.5
175.14767	0.7
177.05534	1.8
178.16643	0.3
184.08540	0.3
185.09660	0.3
185.13292	0.3
186.01607	1.2
187.11223	0.4
189.09102	0.3
189.11203	0.6
189.12735	0.5
193.12202	1.4
193.15927	0.5
195.24210	0.3
198.06723	0.4
199.11215	0.4
211.07506	0.3
211.15123	0.4
211.16980	2.8
213.12801	0.3
215.14441	0.4
220.05531	0.2
227.12590	0.4
229.05031	0.6
229.08672	0.3
229.18024	4.5
233.15419	0.8
241.04977	0.4
252.29980	0.3
254.05814	1.1
255.06627	0.3
257.04526	1.8
267.15964	1.7
269.04532	0.5
269.08002	0.6
271.06030	1.0
272.06821	0.9
273.14893	0.6
282.05258	1.0
285.03955	5.8
286.04636	0.8
299.05536	6.8
300.06320	52.9
301.06903	0.9
302.04498	0.4
309.04028	0.7
310.04639	0.4
315.08658	100.0
316.05734	0.3
316.09045	0.9
323.24063	0.3
326.14816	0.9
338.04303	0.7
339.23172	0.3
341.21213	0.4
344.15710	0.4
349.21634	0.4
353.06659	2.2
357.24023	0.5
367.22678	1.8
370.28650	0.3
375.25317	0.3
385.23813	4.1
403.24969	1.2
433.25797	0.8
435.10934	1.5
441.26617	0.4
445.07138	0.3
459.27420	4.8
477.12079	6.9
477.28543	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01860	7.4
55.05513	32.6
55.21213	1.5
56.40924	1.6
57.03442	7.8
57.07056	3.1
59.04980	4.1
62.78311	1.5
65.03960	2.5
67.05186	2.1
67.05512	30.5
69.03432	17.0
69.07070	17.1
71.05003	10.0
79.05495	31.4
81.03423	21.4
81.07061	33.2
81.50841	1.4
83.04987	23.3
83.08621	23.6
85.02912	17.4
85.06553	10.5
87.00842	8.2
87.04465	3.0
91.05483	17.1
93.07050	18.8
95.04977	13.1
95.08603	16.9
97.02887	6.6
97.06522	13.3
97.10177	25.1
99.04434	2.5
99.08094	6.1
101.06015	2.9
104.60087	1.5
105.01854	2.4
105.07049	14.1
107.04968	17.5
107.08590	26.4
109.02882	9.2
109.06511	7.0
109.09478	2.8
109.10165	41.6
111.04427	2.2
111.08109	3.7
113.06040	2.1
117.07059	7.7
119.08583	10.3
121.06501	12.4
121.10152	11.5
123.08070	4.8
123.11713	17.5
125.09644	21.1
127.03904	6.6
127.07521	2.3
127.11179	13.1
129.07018	6.7
131.04944	2.8
131.08606	8.6
133.06491	5.3
133.10146	10.7
135.08110	7.7
135.11696	12.4
137.05968	3.1
137.09639	4.0
143.08557	3.4
145.02815	2.7
145.04951	3.4
145.06488	7.4
145.10127	4.6
147.04416	2.6
147.08073	4.8
147.11685	5.9
149.09641	4.4
149.13257	5.3
151.07542	3.3
151.11192	4.7
153.09114	2.7
153.12729	3.5
155.08577	3.2
157.06465	2.0
157.10143	2.9
158.72594	1.7
159.02907	2.8
159.08008	3.9
161.06033	2.4
161.09630	2.6
161.13193	1.9
163.11166	2.6
167.08524	2.4
167.14319	15.4
169.10118	2.5
169.12260	23.8
171.08049	3.3
171.10248	2.6
171.11667	1.7
173.09604	2.8
175.07585	2.0
175.11105	3.4
175.14854	3.7
176.15160	1.8
177.05501	5.3
183.08017	2.9
185.09654	2.1
185.13228	2.3
185.15355	7.7
187.11147	2.7
189.11256	9.1
191.10634	2.1
193.12227	9.5
193.15901	11.9
194.16275	2.7
197.13319	2.8
199.11249	2.4
205.06874	1.8
205.12167	2.7
209.15381	4.1
211.11432	1.9
211.16954	70.0
212.17316	2.6
217.12228	1.8
219.11729	1.6
219.13765	3.6
227.12796	5.3
229.18002	100.0
233.15413	5.6
237.12762	2.3
245.15494	3.8
249.14932	2.9
255.13849	2.6
267.16006	10.5
273.14835	6.7
282.05173	1.6
299.02005	3.5
300.02576	6.1
315.08682	8.7
326.14838	2.4
327.01486	8.9
331.08224	3.0
339.23334	3.3
341.02960	2.0
341.21265	2.6
349.21640	7.4
357.24258	4.3
367.22693	22.3
382.00516	1.9
385.23767	33.2
403.24768	13.0
433.25861	3.1
441.26337	3.7
459.27460	44.5
477.07819	20.1
477.28488	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.93055	0.1
53.03930	0.5
55.01862	0.3
57.03444	1.5
57.21756	0.1
59.04972	0.2
61.02930	1.9
67.05523	0.1
69.03436	5.9
69.51099	0.3
69.51505	0.3
71.01330	0.3
71.04980	0.5
73.02927	1.1
79.05437	0.1
81.03001	0.1
81.03426	1.8
81.07034	0.2
85.02911	11.1
87.04487	0.8
88.54913	0.1
91.03941	0.5
91.05494	0.2
95.08618	0.2
97.02298	0.2
97.02901	2.8
97.06436	0.1
98.20836	0.2
99.04466	0.8
101.02351	0.4
103.03949	0.6
105.07053	0.1
107.05016	0.1
108.02102	1.6
109.02868	1.4
115.03923	0.3
118.04150	0.7
119.04939	0.2
121.02901	0.2
125.09576	0.1
125.99420	0.1
127.03927	1.9
145.04955	0.5
149.35686	0.1
152.06174	0.2
153.06975	0.1
166.24586	0.1
169.06485	0.6
170.07266	0.4
181.06467	0.3
197.06003	0.5
198.06772	0.1
208.05219	0.3
223.75816	0.1
225.05443	0.3
226.06261	9.6
227.06592	0.2
243.82552	0.1
250.06050	0.2
252.04169	0.2
253.04944	0.3
254.05760	27.5
255.06401	0.4
256.03680	0.1
257.04483	0.3
267.06522	0.3
269.04575	0.1
269.07962	0.1
270.05298	0.5
271.06079	1.1
272.06760	0.2
272.11908	0.1
278.05716	0.2
281.04504	0.2
282.05252	21.1
283.05933	0.4
285.03986	0.5
285.07584	0.8
287.09149	0.3
295.06094	0.2
296.06839	0.2
297.07486	0.2
298.04779	0.1
299.05597	1.2
300.06308	11.5
306.05215	0.2
313.07047	2.9
314.07703	0.2
315.08633	100.0
316.09000	0.8
324.06229	0.2
336.06445	0.1
339.08655	0.6
343.08078	0.2
357.09702	5.1
366.07242	0.1
369.09836	0.3
381.09659	0.7
431.74835	0.1
459.12997	0.2
477.13947	22.7
478.14407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05495	0.6
57.03444	1.9
59.05003	10.1
61.02917	1.1
67.05524	0.7
69.03444	4.3
69.27316	5.4
70.06602	1.4
71.04993	0.8
72.08142	0.6
73.02910	2.0
81.03422	1.5
83.11437	0.7
84.08149	1.2
85.02907	8.2
86.09711	0.8
87.04472	4.1
87.83461	0.6
89.06038	100.0
91.05534	0.9
95.08605	0.8
97.02905	4.9
99.04476	0.6
100.07642	1.0
101.06056	0.6
103.03956	0.9
103.07589	2.3
105.07027	0.6
107.07090	1.7
109.02889	1.5
109.10089	0.6
110.65723	0.6
115.03942	2.1
119.04973	1.5
121.06527	1.2
122.06052	0.6
127.03916	1.8
130.08653	0.8
133.04965	1.9
133.08614	45.4
143.00174	0.6
145.04961	1.1
147.04453	7.1
147.10208	1.2
151.09682	3.9
151.18980	0.6
152.07103	1.5
159.91093	0.7
161.06009	0.9
165.05450	3.4
173.06990	0.6
177.05438	0.8
177.11208	8.5
182.11806	0.8
191.12805	1.5
195.12386	3.2
209.15549	0.8
221.13930	1.0
233.11981	1.2
239.14906	55.6
261.11368	1.1
279.12219	0.9
293.99359	0.6
297.19098	95.2
298.19229	0.7
476.20328	1.0
502.22385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.09324	1.0
55.01868	1.6
55.05510	10.8
57.03438	3.2
62.06093	34.5
67.05506	24.8
69.07069	7.2
70.03073	3.8
71.04987	1.0
79.05489	14.2
81.07059	24.0
83.08629	2.7
83.92017	1.0
89.06087	1.1
91.05483	10.2
92.94823	1.1
93.07050	21.1
95.04971	2.7
95.08611	18.5
97.06532	2.5
98.06051	2.4
98.98460	8.2
105.07013	5.7
105.25092	1.0
107.08616	9.5
109.10147	7.7
117.07022	2.6
119.08597	5.7
121.10132	6.9
123.08073	1.4
123.11703	1.8
124.01616	2.2
131.08556	3.7
133.10132	4.3
135.11656	3.2
145.10158	3.8
147.11719	1.6
149.13240	2.7
155.01057	2.6
159.11659	1.8
161.13293	1.5
163.14816	1.1
173.02158	1.8
173.13301	2.4
198.05324	3.1
198.57573	1.1
216.06364	2.8
243.21396	1.4
261.22128	4.4
304.26321	25.1
335.25806	100.0
336.26065	1.4
341.55936	1.1
395.52481	1.2
397.78162	1.0
415.22211	1.7
458.26651	7.3
464.87091	1.1
476.27420	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.68641	0.3
55.05275	0.4
55.05519	6.1
57.03446	6.2
57.07075	0.6
59.07312	0.3
62.06087	0.6
64.87669	0.2
65.03931	0.7
67.05511	26.3
69.07076	6.7
69.54314	1.7
71.04986	1.0
71.42334	0.3
76.09613	0.3
79.05499	13.6
81.07062	22.2
83.04968	0.8
83.08160	0.3
83.08629	2.8
85.06560	0.6
91.05491	6.1
93.07052	15.1
95.04974	0.9
95.08615	18.8
95.62077	0.2
97.06527	0.7
97.10175	0.8
98.06072	0.3
98.98479	0.4
105.07041	4.2
107.08600	7.0
109.06518	0.6
109.10169	6.0
111.08117	0.3
117.07037	1.3
119.08590	3.1
121.10150	5.6
123.08060	0.4
123.11707	1.5
124.01582	0.6
129.07005	0.3
131.08586	2.3
133.10141	1.8
135.11716	2.8
137.13297	0.5
145.10115	1.3
147.11687	0.8
149.09590	0.3
149.13260	0.9
159.11699	0.6
161.13261	0.8
163.14828	0.4
173.13287	0.6
175.14754	0.4
187.14760	0.3
198.05322	0.4
216.06378	0.8
256.52185	0.3
261.22195	0.8
304.26407	2.5
335.25818	100.0
336.26190	1.1
383.99063	0.3
432.35101	0.3
476.27768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1416
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.05490	0.3
55.67651	0.2
57.03407	0.2
67.05475	0.4
68.99780	0.3
69.03395	0.7
69.07038	0.4
69.14553	0.2
70.06557	0.3
71.04974	0.4
71.63113	0.2
79.05451	0.4
81.03388	0.5
81.07035	0.5
83.04934	0.2
83.08575	0.2
84.08130	0.2
85.02911	1.1
85.06507	0.6
87.00779	0.5
87.04456	0.3
89.06031	0.3
91.05431	0.6
93.07027	0.8
95.04935	0.4
95.08572	0.6
96.08957	0.2
97.02850	0.6
97.06516	0.4
99.04432	0.3
99.08070	0.8
101.05981	0.3
105.01858	0.3
105.06982	0.7
107.04961	0.2
107.08570	0.8
109.02874	0.4
109.06494	0.4
109.10115	0.7
110.10492	0.2
117.07034	0.2
121.10102	0.6
123.04416	0.3
123.08006	0.2
125.09586	0.2
127.03901	0.8
130.09763	0.1
131.08510	0.3
133.10152	1.3
134.03632	0.9
134.10480	0.3
135.08064	0.2
135.11682	0.3
137.05862	0.2
138.03055	0.2
139.03880	0.2
139.11206	0.2
145.02840	0.2
145.04994	0.2
145.10097	0.2
149.05960	0.2
149.09590	0.3
151.03854	0.5
151.11151	0.3
152.01093	0.2
161.05991	0.2
161.13223	0.3
162.13579	0.2
163.03874	0.3
163.14827	0.4
166.02576	0.7
167.03418	3.8
167.04842	0.2
167.10695	0.2
169.01338	0.4
169.12292	0.2
171.04402	0.2
173.13219	0.6
174.13655	0.3
175.03841	0.4
175.14886	0.3
177.05490	0.2
180.14467	0.3
184.03706	2.4
184.05246	0.4
191.14310	0.6
192.14607	0.5
193.15858	0.6
194.16205	0.4
195.04375	0.3
198.06717	0.2
199.07489	0.3
201.05408	0.3
208.42477	0.2
209.15422	1.0
210.15646	0.5
211.17094	0.4
212.04604	1.1
213.05397	0.3
215.07053	0.3
216.07808	0.7
223.03966	0.3
226.06262	0.3
227.07048	0.9
227.16447	0.6
228.16800	0.4
229.04932	1.4
229.17165	0.3
240.04225	1.6
243.06590	2.4
244.07346	2.3
246.14952	0.5
254.05885	0.3
255.06519	2.9
257.04514	0.5
259.09668	1.1
267.02988	0.3
268.03696	1.5
271.06088	0.5
272.06696	1.4
282.05228	0.4
283.06036	2.9
285.03900	0.5
286.04932	0.3
287.05466	0.3
287.09119	0.2
299.05518	3.2
299.08652	0.2
300.06293	18.5
301.06741	0.4
315.08621	100.0
316.08990	1.9
448.19577	0.2
458.31931	0.6
459.32306	0.3
476.32889	94.7
477.33163	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	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13243	1.1
53.03944	1.7
54.64748	1.2
55.01871	2.5
55.05518	6.3
57.03433	2.7
57.07094	1.5
67.05511	7.0
68.82391	1.3
69.03442	7.4
69.07076	11.5
70.23236	1.2
71.04994	2.6
72.15950	1.3
75.22241	1.2
79.05499	6.2
81.03433	4.8
81.07070	17.8
83.04984	3.0
83.08621	3.4
85.02924	14.9
85.06555	1.7
87.00851	6.9
91.05485	10.2
92.05792	1.2
93.07048	18.1
95.04974	2.8
95.08611	13.1
97.02909	10.1
97.06545	15.1
99.04465	3.6
105.01856	8.4
105.07047	16.8
107.08606	18.5
108.08953	1.3
109.02889	5.5
109.06494	2.3
109.10172	9.7
111.08067	2.0
116.07139	1.3
117.07037	2.3
119.03438	2.1
119.08598	35.6
121.10146	12.9
122.10429	1.3
123.04510	1.4
123.08094	1.2
123.11742	9.2
125.09589	1.6
126.30393	1.3
127.03935	10.1
129.01848	1.6
131.08563	2.5
133.10146	41.4
134.04552	1.4
135.11705	18.7
136.11896	1.2
137.09641	1.8
143.08502	1.4
145.04980	4.6
145.10155	3.6
147.11707	9.0
149.13231	1.7
155.08507	1.3
159.02910	1.4
167.14362	1.7
169.12260	2.0
173.13269	3.4
175.14841	100.0
177.16403	7.8
178.16786	2.1
193.15895	22.7
211.07596	1.7
211.16985	5.9
213.18523	1.5
229.08505	2.4
229.18054	7.8
231.05069	4.1
271.92139	1.6
281.11868	2.0
297.15109	1.7
299.12866	2.9
315.08676	3.2
325.14368	5.5
343.15302	2.7
345.09702	2.0
461.74817	1.6
476.27075	2.6
479.27267	1.3
484.64160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01868	4.2
55.05502	3.6
56.39874	0.9
57.03433	3.2
57.07071	1.4
59.04989	1.3
61.02908	3.1
62.25063	0.8
65.94492	0.9
67.05511	5.2
68.65492	0.9
68.99806	1.3
69.03433	12.5
69.07070	7.4
71.04995	46.0
71.05655	2.4
71.08635	0.8
72.01523	0.9
73.02908	2.7
79.05488	6.7
79.53199	0.8
81.03429	9.8
81.07059	10.5
83.04970	0.8
83.08611	3.4
85.02911	34.2
85.06552	1.0
87.00829	16.0
87.08081	0.9
91.05473	3.6
93.07042	7.6
95.08614	12.0
97.02894	15.6
97.06536	11.8
97.10142	1.4
99.04455	5.1
105.01199	1.2
105.01871	13.7
105.07034	9.5
107.08598	14.1
109.02890	10.1
109.06512	1.0
109.10162	5.6
117.01847	1.2
117.07002	1.2
119.08575	7.6
121.10147	34.1
122.10532	1.1
123.08064	1.8
123.11712	31.1
126.64608	1.0
127.03919	21.7
127.11118	0.9
131.08582	0.9
133.10138	5.4
135.08022	1.1
135.11705	6.3
136.67178	0.8
137.09625	1.2
145.04971	10.5
145.10158	1.3
147.03015	1.3
147.11703	2.4
149.13234	5.8
151.11229	4.1
159.02904	5.2
165.12764	5.2
175.14836	22.1
177.16396	60.2
193.15887	100.0
211.16942	59.8
213.03975	2.0
229.08672	1.3
229.18027	1.7
231.04979	6.7
249.06047	1.7
299.12772	1.4
325.14334	4.5
343.15463	2.4
446.04471	0.8
458.15201	3.2
476.27026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.7
53.03934	1.6
55.01862	0.6
55.05511	3.2
57.03427	0.5
57.07068	2.5
58.22739	0.5
60.48535	0.5
60.93518	0.5
61.02894	0.8
62.72905	0.7
65.03922	0.6
67.05503	4.3
69.03416	1.8
69.06799	0.5
69.07079	6.0
69.40521	1.2
69.40926	3.4
70.03702	0.7
70.04083	8.6
71.05001	3.0
79.05496	8.8
81.03405	1.6
81.07063	12.4
83.08620	1.9
85.02921	6.7
85.06541	1.3
86.80755	0.6
87.00830	2.3
91.05489	8.6
93.07049	15.3
95.04960	1.1
95.08616	25.1
97.02914	3.5
97.03441	0.6
97.06516	2.0
98.21586	1.1
98.97495	0.6
99.04472	0.8
99.08099	4.9
103.05424	1.1
105.01875	6.4
105.07037	49.0
107.07881	1.2
107.08604	23.9
109.02884	1.9
109.06532	1.0
109.10155	3.9
113.09646	3.9
117.07022	1.3
119.08590	53.0
121.10143	5.5
123.08081	1.1
123.11729	6.0
127.03921	5.1
131.08551	1.7
133.10139	66.2
135.11700	36.5
137.09610	5.6
145.04961	3.5
145.10146	1.5
147.11699	5.9
149.13257	3.0
159.02974	0.7
162.25192	0.6
173.13219	0.8
175.14839	100.0
176.15134	1.2
177.16548	0.7
191.14349	0.7
193.12300	0.9
193.15927	15.3
211.17146	0.6
214.55576	0.6
231.05072	3.5
248.02315	0.7
249.06094	1.7
284.09793	1.1
304.50507	0.6
312.17075	0.6
343.15652	0.6
426.08826	1.0
476.33279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05518	4.5
57.03424	1.8
57.07076	2.5
66.83731	1.0
67.05503	3.0
67.40411	0.9
69.03423	2.3
69.07079	8.9
69.31162	7.9
70.06581	1.8
71.04987	3.4
79.05505	9.3
80.39363	0.9
81.00285	1.0
81.03422	4.3
81.07056	13.4
82.94289	0.9
83.08624	1.6
85.02909	6.1
87.00835	1.8
88.22591	1.0
91.05479	11.0
93.07053	15.8
95.04948	2.7
95.08621	23.4
97.02912	2.1
97.06514	2.6
98.20760	1.3
99.04478	2.4
99.08128	5.4
100.23090	1.1
105.01864	2.6
105.07040	50.4
107.08604	29.1
109.02885	1.6
109.06547	1.4
109.10159	2.9
113.09653	2.9
119.08594	51.4
121.10170	6.4
121.93920	0.9
123.08060	1.4
123.10921	1.1
123.11690	6.7
127.03934	3.9
127.07532	1.0
131.08575	2.7
133.10144	69.1
134.10446	1.1
135.06065	0.9
135.11700	34.4
137.09625	4.4
143.08470	1.4
145.04947	2.0
145.10109	3.4
147.11662	6.4
149.13232	3.7
162.87570	0.9
164.07053	0.9
173.13293	4.8
174.13602	2.4
175.14844	100.0
177.05507	2.8
187.81702	1.1
191.14310	1.9
192.14711	2.0
193.15918	19.9
197.01961	0.9
209.15419	1.7
210.15791	2.9
227.16422	1.6
228.16734	1.8
231.04996	1.6
260.06744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53341	0.7
53.03944	1.2
54.95854	0.6
55.01880	1.2
55.05509	1.1
57.03444	1.2
61.02953	1.1
67.05524	1.5
69.03444	4.6
69.07072	2.2
69.77082	3.2
71.05005	2.1
73.02914	1.1
79.05505	2.2
81.03426	4.0
81.07060	8.1
83.08622	1.0
85.02435	1.2
85.02917	13.5
87.00823	5.8
91.05496	2.9
93.07047	4.9
95.08617	11.6
97.02904	5.2
99.04456	2.0
99.08087	3.9
105.01874	7.0
105.07036	8.3
107.08614	9.6
109.02909	3.8
109.10183	2.0
113.09664	2.0
119.08591	52.8
121.10168	1.0
123.11725	4.5
127.03927	10.2
131.08568	1.3
133.10141	96.9
134.10544	0.7
135.11707	16.6
145.04988	4.1
147.11708	2.9
159.02867	2.2
175.14839	100.0
176.15247	1.0
193.15895	28.1
205.52567	0.7
211.16946	33.8
219.55339	0.7
231.05029	2.3
236.02376	0.6
249.06139	0.8
305.61755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
53.10890	1.0
55.01883	1.4
55.05518	3.2
57.03431	1.4
57.07075	1.6
61.02929	1.3
63.03578	1.1
65.34186	1.2
67.05518	5.4
69.03435	5.7
69.07076	11.0
69.86414	3.9
69.86816	2.8
70.06597	1.8
71.04993	2.8
79.05499	6.1
81.03434	4.4
81.07075	12.9
83.05029	1.6
83.08646	3.1
85.02905	10.8
85.06566	1.9
87.00846	5.2
91.05492	7.7
91.91984	1.2
93.07058	15.1
95.08626	14.6
97.02918	7.8
97.06536	9.7
97.10156	1.2
98.73545	1.2
99.04479	2.8
102.25065	1.4
105.01888	5.2
105.07047	12.9
107.08607	12.5
108.08952	1.5
109.02904	4.5
109.06547	1.7
109.10159	8.0
110.87001	1.2
117.01951	1.5
117.07011	1.5
119.03442	1.9
119.08599	34.0
121.06528	1.6
121.10155	9.0
123.08062	1.6
123.11740	6.9
125.09644	1.2
127.03960	10.0
127.11250	1.6
131.08553	1.7
133.10153	30.4
134.04526	1.9
135.11691	16.8
137.05913	1.1
137.09674	2.2
145.04991	5.1
145.06499	1.4
145.10199	2.1
147.11697	8.2
149.13326	2.2
151.03781	1.1
151.11172	1.6
159.02831	1.4
169.12273	2.2
173.13268	1.9
175.14854	100.0
177.16412	9.1
178.16837	1.5
191.14194	1.2
193.15904	19.9
199.30533	1.3
210.33197	1.4
211.16907	4.0
225.09154	1.6
229.17917	6.7
231.05049	2.8
247.09824	1.4
249.06456	1.2
281.11765	2.0
299.12842	1.8
301.73267	1.2
315.08575	3.4
325.14359	4.2
325.17908	1.3
343.15381	2.8
345.09811	1.3
402.22806	1.4
430.00165	1.2
476.27319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01860	3.0
55.05502	9.4
57.03437	16.8
57.07083	35.8
61.02935	44.7
63.95843	1.7
67.05511	15.8
69.03146	1.7
69.03437	20.6
69.07065	11.9
71.01344	4.4
71.04998	2.0
71.08633	26.3
71.51981	2.4
73.02929	19.3
79.05481	4.6
79.05943	1.6
80.27089	1.6
81.03427	12.4
81.07072	21.1
83.04988	2.1
83.08616	11.5
85.02912	36.9
85.10190	18.2
87.04487	2.4
91.03959	29.6
91.05516	2.7
93.07014	7.1
95.08060	2.8
95.08616	30.4
97.02309	2.2
97.02900	40.6
97.10161	7.8
99.04487	8.2
101.02374	8.9
103.03941	3.6
105.07032	3.4
107.08566	3.9
109.02919	10.9
109.10136	11.4
111.04475	1.6
113.79466	1.9
115.03900	4.2
121.10132	2.9
123.11693	5.9
125.13299	2.1
127.03909	18.7
127.07542	1.6
129.05516	3.6
133.10205	1.9
135.11751	1.7
137.13246	2.8
145.04958	6.3
146.99098	1.8
155.32855	1.7
159.11647	1.8
161.13327	1.8
183.06502	5.3
201.07542	4.7
205.08670	1.9
221.22606	2.3
239.23717	28.2
257.24847	2.0
313.27396	100.0
341.26892	5.1
355.28156	2.7
397.29532	1.9
457.31476	7.6
460.02612	2.0
475.32715	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
54.31025	0.5
55.01878	2.8
56.05048	0.9
57.03434	0.5
59.04998	0.7
60.78666	0.5
61.02921	0.6
66.95988	0.5
68.05018	0.7
69.03430	2.3
70.06586	3.0
71.30365	0.9
72.08159	0.6
73.02908	0.7
74.06070	2.2
79.05496	5.5
81.03422	0.9
84.04513	0.8
85.02908	3.2
86.06064	1.4
86.09724	1.8
87.04478	1.4
89.06024	1.6
90.04702	0.5
91.05479	3.1
95.01331	1.4
95.98430	0.5
96.15757	0.5
97.02886	1.4
98.06001	0.6
100.07646	0.6
102.05560	0.9
103.03967	2.0
103.05460	6.8
105.07034	52.6
109.02869	1.2
115.03901	0.7
115.05457	10.8
116.07095	4.4
117.07043	0.5
118.04134	3.8
119.04934	2.0
120.06566	0.6
122.02730	0.6
123.04445	3.8
124.03931	0.5
127.03948	4.9
128.07072	0.7
131.04933	2.4
133.06500	55.1
141.07066	0.5
142.05037	0.6
143.04938	0.8
143.06039	5.4
145.05003	0.6
145.05310	0.7
145.06503	4.4
147.04431	6.6
159.04524	0.7
159.08034	1.4
161.05988	100.0
162.06346	1.0
163.87915	0.5
165.05511	1.7
169.06483	0.8
170.04469	2.7
171.04390	1.0
171.08051	0.6
173.05997	4.4
175.03940	0.8
175.07639	0.7
185.05968	1.2
187.07529	1.6
187.14407	1.4
188.05519	0.9
189.05469	1.7
193.08614	83.7
194.08897	0.8
197.05980	2.4
199.07564	1.5
201.05605	1.3
215.07016	4.8
215.08907	0.7
215.13991	1.3
219.06577	4.1
231.06497	0.9
233.08104	2.3
243.06544	5.0
248.38181	0.6
261.07571	5.8
279.08658	4.5
284.07990	1.0
297.15515	0.9
297.18594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54911	0.8
53.03972	0.7
55.01883	4.7
56.05027	1.0
57.03428	1.8
61.02927	1.5
65.22611	0.8
68.05029	1.1
69.03420	3.8
69.07115	0.8
70.06605	6.2
70.17636	2.9
71.05003	0.9
72.08157	2.2
73.02926	1.7
74.06092	1.6
75.04483	0.9
79.05517	3.7
81.03419	2.7
82.06600	0.8
84.04527	1.0
84.08156	1.9
85.02923	9.5
86.06085	3.0
86.09721	4.4
87.04476	2.5
89.06039	3.4
91.03944	0.9
91.05479	3.0
94.05164	0.7
95.01345	7.4
95.04983	2.5
97.02911	6.5
98.33998	0.7
99.04469	1.6
101.07178	1.5
103.03967	2.3
103.05481	6.9
104.62544	0.8
105.07049	45.4
107.04971	1.6
108.08225	0.9
109.02956	1.7
115.03952	1.7
115.05473	8.9
116.07113	11.9
117.01879	1.0
117.07028	1.5
118.04183	2.4
119.04942	3.9
121.02876	1.0
121.06502	1.1
122.02751	0.9
123.04450	12.0
124.07584	1.0
127.03918	6.5
128.07100	1.0
131.04948	4.5
133.04985	1.4
133.06516	54.6
142.05054	1.3
143.05022	1.5
143.06064	4.6
144.40567	0.8
145.05162	1.3
145.06506	15.4
147.03252	1.2
147.04431	21.1
147.05544	1.5
147.07977	1.6
149.05997	2.8
152.07143	1.9
157.06523	2.1
159.04471	2.3
159.08075	2.6
161.06010	100.0
162.06329	1.1
165.05534	6.4
169.06473	1.5
170.04517	2.0
171.04439	4.3
171.08025	1.2
173.06033	21.2
175.03952	2.5
175.07585	2.3
177.05536	1.1
183.44316	0.8
185.06001	4.1
187.07590	3.9
187.14473	3.6
189.05518	6.0
191.07076	2.6
193.08643	82.6
197.05986	12.6
199.07675	3.5
201.05522	7.6
207.06583	1.6
215.07056	15.4
215.14040	2.2
217.05051	1.3
217.08536	1.6
219.06561	18.3
231.06587	2.6
233.08101	7.2
235.06012	1.0
235.09789	1.2
235.51039	0.8
237.07698	1.2
243.06584	17.4
245.14854	1.4
261.07642	24.7
279.08707	21.6
297.18686	1.1
330.20395	1.3
476.17264	0.8
476.21957	1.5
486.77286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2693
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03942	3.4
55.01861	5.6
55.05513	19.1
57.03429	5.2
59.05004	2.0
67.05503	28.8
68.59282	1.3
69.03434	2.1
69.07069	7.5
69.82027	4.0
69.82420	2.6
71.05000	2.6
79.05080	1.8
79.05499	25.6
80.60274	1.3
81.03431	15.6
81.07053	23.8
83.04988	5.3
83.08619	9.5
85.06508	3.1
88.92249	1.2
91.05479	17.6
93.07055	19.2
95.04980	10.5
95.08606	13.5
97.02918	1.8
97.06539	4.0
97.10168	13.2
100.17710	1.5
105.07028	14.2
107.04948	12.4
107.08593	12.2
109.02883	5.1
109.06502	4.0
109.10151	9.2
111.08079	2.0
112.24374	1.4
115.05447	3.0
117.07042	8.3
119.04951	2.0
119.08566	9.5
121.06519	5.9
121.10142	6.2
123.04478	2.7
123.08052	4.2
125.02349	2.7
125.09655	10.4
126.92516	1.4
127.03901	1.3
128.06189	1.4
129.07027	8.5
131.04921	4.5
131.08563	9.9
133.06459	6.7
133.10136	4.4
135.04472	2.0
135.08051	5.4
135.11676	4.3
141.06993	3.3
142.07759	1.9
143.08557	4.2
145.06500	9.2
145.10127	9.4
147.04424	5.5
147.07089	1.4
147.08005	7.4
147.11697	4.6
149.05989	1.5
149.09625	2.4
151.11099	1.7
155.08568	5.8
157.06496	5.4
157.10143	4.6
157.64890	1.5
159.04427	1.9
159.08067	3.8
159.11670	2.6
160.05141	2.6
161.05991	18.2
161.09599	2.6
163.11179	6.3
167.07083	1.5
167.08589	3.8
169.06407	2.2
169.10127	3.6
171.08040	4.8
171.11693	3.0
173.05991	4.1
173.09584	5.1
175.07573	3.3
183.08081	3.9
183.11688	2.6
187.07529	2.3
187.11194	2.6
189.09171	3.0
189.11156	2.8
191.10573	3.2
193.10361	1.4
193.12292	5.3
197.09557	1.9
199.11252	1.7
201.09074	1.9
201.12851	1.9
203.14467	1.6
205.12157	2.3
211.11218	3.3
213.12738	2.4
225.12561	2.1
227.12787	4.3
229.12202	2.6
231.13866	5.2
235.11203	1.9
237.10997	2.1
243.13914	3.3
249.14848	1.8
269.15393	3.2
271.13269	5.4
273.14880	6.5
287.16373	2.8
289.14331	12.2
337.21500	2.2
339.19357	2.0
355.22672	7.5
365.21045	9.9
383.22134	56.0
384.22058	1.7
401.23212	23.6
410.09583	1.4
419.24243	2.5
421.23645	2.3
431.24133	4.9
439.24719	7.2
457.25839	51.3
458.26648	1.8
475.26862	100.0
476.27185	1.8
502.63800	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2697
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
52.60420	0.9
53.03937	3.1
55.01879	5.7
55.05269	1.4
55.05517	17.8
57.03444	5.9
61.09603	0.8
65.03959	1.5
67.05512	20.4
67.90997	0.9
69.03435	3.0
69.07080	6.2
71.04981	2.2
74.11954	0.9
79.05500	21.4
81.03431	9.0
81.07064	19.1
83.04977	2.9
83.08616	7.3
85.06501	1.4
91.05497	14.6
93.07053	10.8
95.04974	9.1
95.08608	10.5
97.06506	1.5
97.10181	13.3
98.20778	2.1
105.03400	1.1
105.07055	9.0
107.04961	8.1
107.08594	8.4
109.02913	5.9
109.03510	1.0
109.06521	2.7
109.10194	8.2
111.08109	1.8
112.62685	1.0
115.05476	2.4
116.04763	1.1
117.07013	7.4
118.53040	1.1
119.04971	2.5
119.08611	6.2
121.02872	1.4
121.06519	6.7
121.10149	3.8
123.04426	1.3
123.08079	4.1
125.02340	3.4
125.09641	9.6
128.06206	1.8
129.07033	7.9
131.04956	3.9
131.08575	6.1
131.79333	1.0
133.06532	5.3
133.10100	2.7
135.04430	2.4
135.08095	3.4
135.11679	1.9
137.05975	1.9
141.07010	3.4
143.08565	4.8
145.06506	9.4
145.10118	6.8
147.04428	3.8
147.08061	4.4
147.11720	1.5
149.05988	2.2
149.09633	3.0
153.09132	2.5
155.08563	4.5
157.06538	3.8
157.10149	3.0
159.04485	1.7
159.08089	4.1
159.11719	1.6
160.05215	2.4
161.06007	20.3
161.09683	2.9
163.07590	2.2
163.11224	4.6
165.07053	1.2
167.08549	2.0
169.06483	2.9
169.10175	2.2
171.08076	4.1
171.11758	2.0
173.06000	3.8
173.09676	4.5
175.07539	2.0
175.11211	1.7
181.06544	1.2
181.10138	1.8
183.08043	2.9
183.11720	2.2
185.06102	2.3
185.09627	2.8
185.13277	1.5
187.07524	3.1
187.11240	1.1
189.09135	2.9
189.11269	3.8
191.10687	1.9
193.10257	1.6
193.12291	3.7
195.08142	1.1
195.11731	1.7
197.09654	1.9
197.13348	1.3
199.07529	1.5
201.09198	1.6
201.12738	1.6
203.14424	1.3
211.11287	4.7
211.14771	1.3
213.12753	2.2
225.12709	1.9
227.10574	1.2
229.12263	2.2
231.13783	3.3
237.11189	2.0
239.10699	1.2
243.13791	2.9
249.12621	1.7
253.12144	1.3
257.15341	2.2
269.15445	4.1
271.13385	4.3
273.14804	5.1
285.14957	1.3
287.16583	1.4
289.14413	12.2
303.15927	1.8
317.56396	1.1
327.23422	1.2
337.21603	2.3
347.20282	1.8
355.22852	4.8
365.21237	9.9
373.23859	2.1
383.22186	53.7
384.23035	1.3
393.24261	1.8
401.23254	22.0
403.22849	2.0
419.24222	3.3
421.23688	2.7
431.24301	6.2
439.24762	8.4
457.16098	1.7
457.25879	47.5
475.26965	100.0
476.27533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21995	2.3
51.24480	2.5
53.03946	6.3
55.01856	2.9
55.05495	3.8
57.03442	3.0
59.05021	14.1
60.05311	4.6
61.02916	3.6
67.05498	7.7
69.03432	23.2
69.07069	5.9
69.41531	21.0
71.05006	17.3
74.03185	2.9
79.05476	7.0
81.03411	9.6
81.07037	10.8
83.04969	4.9
85.02531	2.9
85.02917	34.7
85.06551	6.2
86.09705	10.3
87.00826	19.0
87.04478	3.0
91.05474	10.7
93.07060	16.7
95.04972	20.9
95.08633	14.9
97.02892	19.3
97.06540	18.3
98.20874	9.2
99.04468	23.0
99.08099	5.9
105.01853	14.8
105.07034	21.2
107.08602	16.0
109.02867	7.6
109.06528	32.9
109.10152	20.4
111.08067	4.8
113.09641	3.3
115.07568	4.9
117.07047	3.9
117.09083	2.9
119.08588	15.9
121.10144	25.7
122.69949	2.9
123.08073	11.6
123.11737	6.0
125.09631	4.8
125.93056	2.9
127.03931	26.0
127.07601	4.2
131.08600	17.0
133.10141	62.7
135.08044	9.9
142.60336	3.2
143.08559	3.5
145.04965	10.0
145.10085	5.7
147.11676	18.8
149.09630	7.0
149.13266	8.1
151.11183	8.0
153.09135	14.7
158.10912	4.0
159.02885	4.3
161.13257	10.2
163.14790	6.7
165.12740	4.1
167.10689	5.5
169.12225	4.1
173.13290	38.0
179.14276	7.2
183.13873	5.6
191.14307	42.1
201.12363	3.3
207.06374	4.2
209.15390	100.0
227.16418	51.4
231.05000	3.3
232.71840	3.1
248.64777	2.9
295.21210	3.2
296.21466	4.2
313.06949	7.4
475.26572	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01873	0.3
55.05503	0.3
57.03422	0.4
57.07058	0.1
59.05011	0.7
61.02922	0.3
67.05498	0.5
68.45993	0.1
69.03443	1.1
69.07076	0.4
70.76600	0.3
71.04998	1.2
71.05622	0.1
73.02917	0.2
74.42655	0.1
76.76711	0.1
79.05507	0.6
81.03065	0.1
81.03436	1.0
81.07071	1.0
83.04978	0.4
83.05428	0.1
83.08617	0.2
85.02917	2.3
85.06557	0.4
86.09695	0.2
87.00841	1.0
89.06016	0.1
91.05475	0.8
93.07053	1.6
93.49188	0.1
95.04982	0.8
95.08612	0.7
97.02904	1.1
97.06528	0.3
99.04433	0.8
99.08108	0.5
103.07556	0.1
105.01855	0.6
105.07043	1.6
107.08598	1.5
109.02865	0.8
109.06528	1.1
109.09479	0.1
109.10187	2.0
111.08102	0.3
117.01880	0.2
117.07016	0.6
119.04974	0.2
119.08588	1.2
121.10157	2.3
123.08103	0.6
123.11732	0.4
125.09637	0.3
127.03925	1.7
127.07582	0.2
129.64986	0.1
131.08585	1.2
133.10152	4.1
135.08083	0.7
135.11667	0.2
139.11194	0.3
143.08543	0.2
145.04958	0.4
145.10170	0.4
147.11732	1.0
149.09644	2.6
149.13277	0.5
151.11209	0.8
153.09155	0.3
158.10909	0.3
159.02907	0.4
161.13246	1.5
163.11176	0.2
163.14827	0.6
165.12781	0.2
167.10693	1.7
167.14296	0.2
169.12199	0.3
173.13281	3.3
175.03906	0.3
179.14330	1.0
183.13898	0.5
191.14336	4.3
191.16087	0.2
201.12411	0.2
207.06569	0.5
207.13840	0.3
209.15387	7.2
213.03947	0.1
227.16428	6.1
231.04993	0.2
296.21359	0.1
439.19885	0.1
457.31564	0.4
475.32581	100.0
476.32745	0.3
503.23752	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	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01881	3.6
61.02916	1.7
67.05514	4.5
69.03441	11.0
69.07094	2.7
69.94115	7.7
69.94531	3.1
71.05007	13.1
79.05500	2.1
81.03451	8.6
81.07080	8.9
83.04997	2.4
83.08622	2.5
85.02921	24.6
85.06544	7.0
87.00843	6.8
91.05488	5.0
93.07086	10.2
95.04372	4.1
95.04986	77.6
95.08624	6.0
97.02912	6.3
97.06562	4.4
98.20785	2.2
99.04476	22.9
99.08136	9.5
102.29309	2.0
105.01884	7.2
105.07040	9.2
107.08629	15.7
109.02897	8.7
109.06535	3.7
109.10184	23.2
111.08105	2.0
115.07593	4.0
117.03376	4.6
119.08591	5.9
121.10177	8.0
123.11742	15.4
127.03944	13.9
127.07537	3.6
131.08589	7.2
133.10159	74.5
135.08066	3.5
138.91016	2.1
139.11209	5.2
145.02861	10.4
145.04897	2.1
145.10220	1.8
147.08119	1.9
147.11670	4.5
149.13316	8.7
151.11192	17.3
153.09135	30.6
158.10956	2.1
159.02911	3.6
163.14810	2.1
167.49596	1.8
169.12303	11.5
173.13278	25.7
177.05501	30.5
191.14333	54.3
209.15411	100.0
227.16466	20.8
326.25562	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.9
57.03433	0.5
57.07082	21.5
59.18873	0.4
59.36884	0.4
59.41801	0.4
61.02911	0.5
65.03935	0.5
67.05505	1.1
69.03423	1.4
69.07059	0.5
70.06592	0.6
71.52332	0.8
73.06552	1.3
79.05494	0.5
81.03439	0.5
81.07059	1.3
85.02918	2.9
91.05500	0.6
91.07597	0.6
93.07037	0.8
95.08616	0.5
95.33485	0.4
97.02896	1.1
97.06516	0.4
97.10170	0.5
106.21825	0.4
107.08584	1.0
109.02866	0.5
109.10159	0.6
109.78535	0.4
119.08596	0.5
121.02856	2.5
121.03944	0.4
121.10231	0.4
121.86721	0.4
127.03941	0.8
133.10138	0.5
147.11688	0.5
149.02357	100.0
167.03429	0.8
175.52664	0.4
190.05020	0.5
205.08632	11.9
221.08087	2.4
277.14368	13.0
295.15396	1.4
303.90909	0.5
475.27213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
55.05517	4.5
57.07080	17.2
65.03957	0.6
69.03410	0.5
70.11354	0.9
73.06555	0.8
79.27286	0.2
81.07051	0.3
85.02906	1.7
91.05491	0.3
93.07070	0.3
97.02871	0.5
121.02873	2.2
121.04001	0.4
129.07011	0.2
131.08589	0.6
149.02353	100.0
150.02722	0.4
157.06456	0.2
161.06000	1.2
167.03439	0.5
175.07587	4.2
181.01547	0.2
190.05063	0.3
203.07057	5.8
205.08630	7.2
205.10556	0.5
216.58035	0.2
221.08112	1.4
223.09596	0.5
277.14362	29.8
295.15466	1.7
308.71164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01866	2.3
55.05521	3.9
57.03447	5.4
57.07081	6.0
59.04985	1.5
61.02926	3.4
67.05476	0.6
69.03440	7.9
69.07063	0.7
69.41972	3.2
69.42387	1.5
70.06577	1.9
71.01344	1.4
71.05006	0.7
73.02925	24.0
75.58933	0.7
79.05447	0.6
81.03433	2.7
81.07051	0.8
82.06568	1.0
83.04980	1.0
83.08614	2.5
85.02917	20.9
86.09708	1.0
87.00816	1.3
87.04467	1.9
89.06037	18.8
90.33885	0.6
90.90160	0.6
91.03967	1.0
91.05478	0.9
93.07036	1.5
95.04984	1.1
95.08620	1.0
97.02891	14.7
99.04460	2.1
100.07626	2.7
101.09663	7.6
103.03957	1.9
105.07019	0.7
107.07078	20.7
107.08601	0.9
109.02897	2.2
115.03942	7.8
117.05514	0.8
119.08568	1.3
120.08896	0.7
121.10164	1.0
122.10554	0.7
123.08074	1.2
125.05974	0.6
127.03908	7.0
133.04990	7.0
145.04970	6.3
145.12332	0.8
149.09683	1.0
159.02940	0.8
163.06055	2.9
163.13309	100.0
163.54930	0.7
207.13806	1.4
208.14182	1.4
209.15514	0.7
223.05954	0.7
224.83669	0.7
225.14882	1.6
226.15135	2.3
259.08240	1.6
285.79935	0.6
446.76035	0.7
462.92108	0.8
474.23264	2.9
486.64938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80371	0.5
53.03939	0.9
55.01875	0.7
55.05520	0.7
57.03455	2.2
57.07085	0.6
59.04996	0.5
61.02938	0.7
67.05509	1.8
69.03427	2.8
69.07068	2.5
70.04086	100.0
71.05023	1.0
73.02922	0.5
74.98433	0.4
79.05485	1.2
81.03439	1.2
81.07065	1.8
83.05020	1.0
85.02914	7.4
87.04495	0.7
89.06021	0.8
91.04004	0.7
91.05506	1.1
93.07053	1.3
95.04985	0.6
95.08625	1.4
97.02897	2.0
97.06546	4.7
98.77866	0.4
98.98483	1.0
101.93628	0.5
105.01856	0.5
105.07071	1.6
107.08607	1.4
109.02890	0.8
109.06547	1.5
109.10183	0.8
115.07583	9.4
116.58430	0.4
119.08614	1.2
121.10164	1.4
123.08157	0.5
123.11756	0.5
127.03945	1.9
128.07082	0.5
131.08601	1.0
133.08708	0.5
133.10175	0.8
135.08125	1.2
135.11716	0.9
145.04991	3.2
145.10143	0.8
147.11725	0.9
148.12054	0.8
163.06139	0.9
173.13324	1.3
184.10893	0.7
191.14297	3.9
209.15440	1.3
229.34482	0.4
229.50035	0.6
232.09395	0.8
314.03986	0.5
315.04510	0.9
317.06750	1.2
329.02664	0.8
343.04675	0.6
344.04932	1.5
354.06952	0.6
356.05136	0.7
399.07129	0.5
400.07501	2.6
442.08578	1.4
474.21790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1738
Annotation	Raloxifene
Peak:m/z	Relative Intensity
57.10825	0.3
63.38952	0.3
63.94636	0.2
68.76781	0.3
69.32631	0.3
69.57503	1.8
72.08140	0.3
75.71763	0.2
81.04968	0.3
83.06100	0.3
89.27290	0.3
95.06086	0.3
104.04980	0.3
105.03403	0.5
105.05782	0.7
106.06554	0.3
111.05566	3.9
117.42671	0.3
120.04497	2.8
123.05505	0.6
123.65380	0.3
125.05859	0.6
126.06642	1.9
127.03883	0.7
132.04466	23.0
133.05199	0.4
134.06024	4.9
137.04697	1.8
141.01842	0.3
144.06613	0.5
151.06163	10.1
158.05994	0.4
159.05550	0.3
164.77022	0.3
165.07834	0.3
175.08612	0.3
177.04126	0.5
194.06735	3.8
195.07532	0.7
202.09816	2.3
216.11302	0.8
227.09152	0.4
230.09248	1.1
232.10796	0.9
237.65547	0.3
242.09282	4.8
255.08644	0.4
257.10352	4.4
258.08710	0.8
259.11929	12.2
274.12982	0.4
284.11438	7.0
302.12482	12.9
327.11981	3.9
342.91040	0.3
345.13086	100.0
346.13303	1.5
430.18576	0.3
456.15930	1.4
474.10541	0.7
474.17334	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
54.52728	1.1
55.01863	4.1
55.05510	5.6
57.03435	4.2
57.07070	1.3
59.05009	2.3
61.02912	2.9
67.05495	5.4
67.05848	1.3
68.99792	1.7
69.03436	19.0
69.07060	2.5
69.15343	13.3
70.06597	3.5
71.04984	3.1
73.02904	5.5
79.05503	7.7
81.03432	20.6
81.07063	10.6
83.04990	59.6
83.08609	1.6
84.68376	1.3
85.02912	48.5
85.06539	3.4
86.09715	2.5
87.00852	13.7
91.03949	1.5
91.05510	6.6
93.07040	13.4
95.04978	21.4
95.08607	7.6
97.02901	13.7
97.06521	6.5
97.35439	1.1
99.04465	8.5
100.11267	3.4
101.06039	1.8
101.11649	1.5
103.05450	1.8
105.01873	11.2
105.06466	1.5
105.07037	12.5
107.04987	1.8
107.08603	11.0
109.02892	17.1
109.06534	19.7
113.05975	2.9
117.01905	2.4
117.07001	1.7
119.08586	6.6
121.02837	1.2
121.09338	2.1
121.10155	33.3
122.06026	1.3
123.04417	2.5
123.08075	23.2
123.11720	8.7
125.06001	40.3
125.09602	1.5
127.03931	27.0
128.07115	1.4
131.08566	3.5
133.02956	1.2
133.06473	5.0
133.07437	1.2
133.10132	2.7
135.11713	1.3
136.07562	2.8
137.09634	2.9
145.04961	10.9
145.10123	5.7
147.02927	2.4
147.04301	1.7
147.08035	2.7
147.11703	6.8
149.09634	19.2
151.07561	52.8
156.09344	1.3
159.02913	8.3
159.11716	1.8
161.13272	2.7
163.03874	1.7
163.11169	13.2
165.09123	2.5
165.12764	28.4
166.77417	1.2
167.07033	1.5
167.10724	4.0
171.11644	2.6
173.13290	1.2
177.12796	1.5
179.03442	3.0
183.13823	4.8
189.12727	13.9
207.02927	34.2
207.13820	37.6
207.15773	2.2
209.11812	4.1
209.15063	1.6
213.03975	2.0
225.14871	100.0
231.05034	6.5
235.02382	19.5
260.77405	1.2
265.12054	1.5
279.06335	2.1
293.17441	1.7
295.18762	1.8
311.13794	2.0
340.12729	1.6
363.05048	3.0
409.05243	2.0
455.19446	2.7
472.35611	1.6
473.23260	11.6
473.35794	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	473.2361
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
53.03934	0.3
60.64283	0.3
66.19059	0.2
69.03419	0.5
69.13762	0.6
69.14170	2.1
78.95998	0.2
81.03426	0.6
81.07069	0.4
85.02909	0.9
86.09696	0.6
87.00816	0.6
93.07069	0.6
97.02882	0.6
99.04449	0.3
105.01908	0.3
105.07056	0.5
107.08591	0.9
107.34998	0.3
109.02863	0.5
109.06475	0.3
109.10178	0.3
119.08576	0.5
121.06528	0.3
121.10152	0.5
123.08082	0.7
127.03908	0.5
135.08064	0.4
135.09131	0.3
135.11710	0.5
137.09647	0.5
147.11731	0.4
149.09633	0.4
150.71997	0.3
151.07565	0.3
163.11267	0.4
165.09158	0.4
169.69792	0.3
179.10695	0.3
182.08969	0.3
189.12727	0.5
196.98456	0.3
207.13821	1.4
225.14894	1.7
245.81699	0.2
293.17239	9.5
311.18304	6.5
473.23633	100.0
474.23880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80371	0.5
53.03939	0.9
55.01875	0.7
55.05520	0.7
57.03455	2.2
57.07085	0.6
59.04996	0.5
61.02938	0.7
67.05509	1.8
69.03427	2.8
69.07068	2.5
70.04086	100.0
71.05023	1.0
73.02922	0.5
74.98433	0.4
79.05485	1.2
81.03439	1.2
81.07065	1.8
83.05020	1.0
85.02914	7.4
87.04495	0.7
89.06021	0.8
91.04004	0.7
91.05506	1.1
93.07053	1.3
95.04985	0.6
95.08625	1.4
97.02897	2.0
97.06546	4.7
98.77866	0.4
98.98483	1.0
101.93628	0.5
105.01856	0.5
105.07071	1.6
107.08607	1.4
109.02890	0.8
109.06547	1.5
109.10183	0.8
115.07583	9.4
116.58430	0.4
119.08614	1.2
121.10164	1.4
123.08157	0.5
123.11756	0.5
127.03945	1.9
128.07082	0.5
131.08601	1.0
133.08708	0.5
133.10175	0.8
135.08125	1.2
135.11716	0.9
145.04991	3.2
145.10143	0.8
147.11725	0.9
148.12054	0.8
163.06139	0.9
173.13324	1.3
184.10893	0.7
191.14297	3.9
209.15440	1.3
229.34482	0.4
229.50035	0.6
232.09395	0.8
314.03986	0.5
315.04510	0.9
317.06750	1.2
329.02664	0.8
343.04675	0.6
344.04932	1.5
354.06952	0.6
356.05136	0.7
399.07129	0.5
400.07501	2.6
442.08578	1.4
474.21790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61871	0.7
53.03955	1.7
55.01878	1.3
55.05515	2.1
59.14558	0.6
59.15477	0.7
67.05502	3.4
69.03432	3.8
69.07080	1.3
70.06596	4.4
70.62739	2.1
71.04993	1.7
72.08161	2.1
74.88032	0.7
79.05487	2.7
81.03429	1.6
81.07065	6.2
83.04996	5.2
85.02926	5.1
86.09698	1.2
90.78011	0.7
91.05497	3.4
93.07059	3.2
95.04987	7.6
95.08604	3.4
97.02882	1.5
97.06552	4.3
98.06094	1.3
99.04491	1.1
105.07049	3.1
106.02921	1.1
107.04974	1.0
107.08601	1.9
109.02917	4.0
109.06544	7.4
111.04434	3.6
111.08110	1.1
113.05999	1.1
115.05513	0.7
116.07128	4.0
117.07085	0.8
119.04965	1.1
119.08591	3.5
121.06512	3.7
122.06055	0.9
123.04412	3.0
123.08088	63.2
124.04044	0.9
125.06025	5.5
127.03910	1.0
127.07601	1.7
128.07175	0.7
129.07085	0.8
131.04971	1.5
131.08549	3.5
133.10143	3.0
135.04413	2.5
135.08061	3.8
136.07582	1.8
137.05983	5.5
137.09651	0.9
139.03922	1.4
139.07571	1.7
140.07019	1.1
141.06918	0.8
142.07803	1.0
143.08575	2.1
145.06511	0.9
145.10135	1.5
147.04506	0.8
147.08073	2.4
149.06007	1.6
149.09579	1.0
151.07597	1.1
156.09337	1.0
157.10112	2.1
159.08086	5.8
159.11577	1.8
160.08867	1.0
161.05981	1.1
161.09621	4.9
162.09209	3.6
162.10321	0.8
163.07568	2.8
165.09140	100.0
167.07072	3.3
168.06656	1.6
171.11700	1.7
173.09679	1.3
175.07527	1.6
175.11165	3.8
175.73393	0.9
177.09149	2.5
178.08641	1.2
179.10796	0.9
180.10248	1.9
181.10275	1.0
184.08896	0.9
185.09654	1.1
187.07599	2.5
187.11040	1.7
190.08577	0.9
199.11232	4.9
203.10693	7.8
205.08551	4.9
207.06534	1.4
208.09721	7.0
212.08359	1.2
215.10773	1.9
217.12250	7.1
221.11742	1.7
227.10719	2.3
233.11783	5.1
245.11771	18.9
263.12814	34.2
265.11847	9.6
268.08319	0.7
287.13919	0.9
289.11636	0.9
313.11856	2.2
315.13379	3.4
385.56540	0.7
437.18048	10.9
446.91290	0.8
454.20004	3.5
472.21054	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	473.1061
Annotation	Tetracenomycin C
Peak:m/z	Relative Intensity
52.85839	0.6
69.03410	0.7
71.49735	0.6
72.09145	0.8
82.06600	1.7
85.02903	2.6
97.02892	1.2
98.97549	0.8
100.07626	3.8
103.00633	1.1
121.01632	1.4
127.03878	0.8
133.03500	1.0
145.01695	1.2
146.08087	3.4
159.03244	1.6
161.02988	1.0
163.02742	1.6
185.02837	1.2
219.01921	0.8
245.05128	1.2
266.94241	0.7
277.07669	1.1
278.07617	0.9
279.07462	8.1
297.08551	7.8
473.10483	100.0
474.10727	1.1
496.21860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10091	1.4
51.42924	1.1
55.01886	1.6
60.63414	1.2
69.03438	1.5
70.31390	4.9
71.01347	3.2
73.02927	3.6
81.07035	1.9
85.02907	12.6
93.07066	1.3
95.08606	2.8
95.46848	1.3
100.33305	1.5
104.60382	1.2
105.07042	2.2
107.08618	3.1
119.08581	1.6
121.10185	2.0
131.06992	2.1
147.04419	8.2
147.11708	2.1
151.07451	1.5
160.05235	2.1
168.00571	2.2
171.04411	1.9
183.02908	2.2
191.70596	1.6
216.04204	12.8
241.04893	1.7
244.03812	7.1
268.03760	3.2
281.04376	3.4
282.05310	5.8
283.06018	1.8
284.03125	3.9
285.03897	7.2
296.03204	4.5
300.02701	4.9
301.06900	3.5
302.04044	2.0
307.06100	1.7
309.03934	10.5
310.04739	11.3
311.05539	3.9
312.02734	4.7
313.03513	13.2
314.04208	34.1
320.03238	2.9
325.07135	10.7
327.05142	7.1
328.02139	48.1
328.05850	10.5
329.06537	37.8
335.05432	1.9
337.03506	5.3
338.04199	10.3
340.02188	22.8
343.04486	89.8
344.01529	2.3
352.05905	5.2
353.06546	23.1
355.04544	36.1
363.04700	1.7
366.03671	2.1
367.08325	1.6
371.07700	9.3
381.06082	40.5
399.07144	100.0
413.08524	2.7
423.07211	3.1
441.02368	3.0
441.08197	41.3
473.20459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21665	0.5
55.01870	1.1
67.05506	1.5
68.99786	0.7
69.03448	1.4
69.07059	1.1
71.01348	2.4
71.05006	0.7
71.16560	1.0
79.05504	1.5
79.11440	0.6
81.03407	1.1
81.07050	2.4
83.04976	0.7
83.08618	0.9
85.02441	1.0
85.02914	11.2
87.04497	0.6
91.05479	1.2
93.07047	2.7
95.08610	2.3
97.10144	0.6
101.05994	0.8
105.07022	1.9
107.08582	1.4
109.10159	1.7
109.65079	0.6
111.00798	0.7
111.08112	0.6
117.26546	0.6
119.08587	1.5
121.10151	1.5
123.08130	0.7
123.11742	0.7
127.03929	1.0
131.04877	0.8
133.10141	1.7
134.03664	1.4
135.11789	0.7
137.09619	0.8
139.61343	0.6
145.10161	1.1
147.04393	5.6
147.11699	1.7
149.13249	0.6
160.05147	1.1
161.06108	0.6
161.13188	0.7
168.00539	2.3
169.01321	1.3
171.03012	0.6
171.04401	1.3
171.11720	0.7
171.70624	0.6
178.02765	0.8
183.02927	2.4
186.01648	0.9
188.04674	1.3
197.05998	0.8
198.97720	0.6
202.38864	0.7
204.04378	0.7
213.58432	0.6
215.03452	1.0
216.04207	11.1
217.05040	1.0
226.02626	1.0
241.05070	1.0
243.03017	1.2
244.03746	5.4
253.04996	1.5
255.02853	0.6
265.04932	0.8
268.03708	3.0
269.04541	1.6
272.03281	0.8
281.04532	3.6
282.05200	4.8
283.05984	1.6
284.03119	5.5
285.03952	6.4
286.04663	1.4
292.03546	1.1
293.04434	1.4
296.03125	2.7
297.03998	0.9
299.05423	0.8
300.02618	5.2
301.07007	2.7
302.04086	1.7
307.05948	1.8
309.03955	7.9
310.04764	7.3
311.05508	2.6
312.02725	3.5
313.03473	11.9
314.04221	24.7
315.04874	0.7
317.06805	2.8
320.03067	1.6
325.07095	7.2
326.04166	0.9
327.04977	6.7
328.02142	48.9
328.05838	12.8
329.06546	27.7
335.05725	1.5
337.03409	3.8
338.04211	6.9
339.98056	1.1
340.02173	21.2
342.07663	1.0
343.04510	100.0
344.01605	2.0
344.05142	1.1
348.02609	1.3
351.04694	0.8
352.05786	4.5
353.06583	15.0
355.04514	32.2
356.05179	1.9
360.86230	0.6
363.05133	1.0
366.03748	1.9
370.06934	2.7
371.07663	10.9
381.06082	31.0
395.07892	1.0
398.06235	0.7
399.07156	70.9
400.07462	1.3
413.08453	2.7
423.07013	1.3
441.08234	39.7
480.87125	0.6
490.02542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05503	2.7
62.51949	0.7
65.03940	0.8
67.05494	1.8
69.03437	4.5
69.07060	0.8
70.06580	1.7
71.05002	1.6
71.51295	0.8
71.51678	0.8
78.93396	0.7
79.05481	3.5
81.03433	1.3
81.07067	6.2
82.17757	0.7
83.04977	5.8
85.02905	3.0
86.09699	2.5
91.05473	2.8
93.07052	2.7
95.04962	3.0
95.08614	4.9
97.02888	2.2
97.06535	6.2
99.04481	1.3
103.44093	0.7
105.07028	3.0
106.02872	0.9
107.04956	1.7
107.08562	2.0
109.02876	2.1
109.06528	8.9
109.10095	0.8
111.04460	5.2
112.07615	1.0
113.06017	0.7
117.07046	1.4
119.08595	4.2
121.06514	3.2
121.10116	0.9
123.04406	1.1
123.08074	58.8
124.03951	1.2
125.06001	3.2
127.03900	2.1
131.08566	2.3
133.06517	1.4
133.10127	2.6
135.04433	2.8
135.08026	2.4
137.06007	6.0
139.07539	1.7
143.08557	2.4
145.06554	1.3
145.07617	1.3
145.10107	2.0
146.08009	1.3
147.08057	1.5
147.11694	3.3
149.05956	1.3
151.03915	1.8
151.07535	2.0
152.07063	1.1
156.09337	1.8
157.10126	2.3
159.08038	4.0
159.11739	0.8
161.09615	4.0
161.13248	1.0
163.07541	1.8
165.09128	100.0
167.07045	2.1
167.08521	0.7
169.12312	1.0
171.11696	2.5
173.09633	1.8
173.13408	0.9
175.06041	1.6
175.07526	0.8
175.11154	3.4
177.05533	2.0
177.09094	1.4
181.10173	0.8
185.09639	1.0
187.07530	2.0
187.11191	2.1
189.12790	4.3
199.11163	4.9
203.10632	5.0
205.08615	2.1
205.12381	1.1
207.13834	2.9
208.09698	1.1
212.08379	1.3
215.10696	3.0
217.12242	6.3
221.11879	0.9
225.14871	2.6
227.10693	3.0
233.11732	5.4
245.11751	21.0
246.14569	0.8
263.12808	31.9
265.11896	2.1
268.40399	0.7
276.12271	1.5
317.11288	0.9
373.66025	0.8
437.18091	30.5
454.20203	1.1
455.19196	1.0
472.20358	3.7
473.23682	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	472.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24532	0.4
53.03930	0.9
55.01851	1.3
65.03918	0.6
67.05471	0.7
69.03423	0.5
69.07056	0.9
69.37045	1.2
69.37469	2.3
70.06587	1.1
71.18415	0.4
76.67864	0.5
79.05463	1.0
81.03423	0.6
81.07028	0.6
82.06568	0.5
85.02888	1.2
86.06100	0.5
86.09641	0.6
91.05005	0.5
91.05502	5.1
93.07056	5.6
94.06530	1.5
95.04938	1.8
95.08596	0.6
96.04468	0.9
96.08140	0.7
97.02856	0.8
98.06035	1.2
105.04515	0.7
106.06571	0.8
107.08562	1.3
108.04459	0.7
108.08113	1.1
109.02847	0.9
109.06498	0.9
110.05999	1.0
111.08078	3.6
119.04876	0.6
119.08579	0.7
120.08124	0.6
121.06467	1.3
122.06025	3.3
124.07563	2.1
125.01457	0.5
127.03880	1.0
132.08084	1.1
134.09648	4.1
135.08099	2.3
135.08958	0.6
136.07590	3.9
137.05922	0.9
138.09212	0.7
140.07048	1.5
143.07027	0.5
144.07994	1.1
147.06786	0.8
148.07565	1.1
150.05525	0.9
150.09135	1.4
152.07054	0.8
152.10687	2.4
154.08640	1.4
154.76880	0.7
160.07576	2.1
162.05504	1.3
162.09155	26.2
163.07498	1.3
163.08685	1.1
164.07062	1.1
166.08693	0.8
168.06569	1.9
170.08073	1.9
172.07686	0.7
174.09131	1.0
177.06631	0.8
177.10239	1.4
178.08652	7.0
180.10208	22.4
182.08147	0.9
184.07692	0.6
186.09137	0.8
188.07050	1.1
190.08623	5.2
201.10173	1.0
202.08618	1.7
205.09810	3.3
206.08163	0.8
207.06488	0.5
208.09705	53.1
213.10143	1.0
214.01321	0.5
214.08699	0.9
215.08234	0.7
219.11282	2.0
220.09705	1.4
225.10269	1.3
227.11899	1.1
228.10278	0.6
229.09744	1.9
230.08214	0.7
239.11858	0.7
241.13324	0.6
243.11292	0.8
244.09676	0.6
245.12596	0.6
246.11403	0.8
247.10797	1.9
255.11342	1.4
256.38055	0.5
265.11856	100.0
266.12256	1.3
267.11337	1.2
268.12097	0.7
269.09302	1.2
269.12802	0.5
270.11411	0.6
273.12430	1.1
289.11871	7.0
290.38855	0.5
291.13425	3.5
299.10605	0.6
301.12119	0.7
305.15106	0.7
313.11874	6.3
314.12738	0.7
315.13452	3.2
317.11230	3.8
319.12964	3.2
329.11429	1.0
333.14462	3.8
409.17398	0.6
426.21024	0.6
436.18640	2.5
437.17746	0.6
454.19818	10.0
472.20853	39.5
473.21375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
51.02398	2.0
53.03953	3.8
55.05266	3.3
55.05517	42.8
57.03441	3.0
57.07074	6.7
59.05017	2.9
61.79984	1.9
65.03959	2.6
67.05505	24.9
67.60696	1.9
69.03426	5.4
69.07069	18.2
70.70766	6.1
71.05006	4.3
73.02925	2.1
79.05495	17.8
81.03415	3.1
81.07065	52.3
83.05006	10.2
83.08620	7.5
85.02916	5.5
85.06551	4.2
86.09705	3.9
89.06052	2.5
91.05468	22.4
93.07055	41.3
95.04990	4.0
95.08613	70.2
97.02902	3.8
97.06538	5.5
97.10174	5.7
99.04505	2.3
99.08142	3.0
105.07043	41.9
107.08606	74.1
108.08997	2.2
108.17477	2.0
109.02873	2.0
109.06523	7.0
109.10163	82.7
111.08092	6.3
111.11705	2.5
117.07036	6.3
119.08588	74.9
121.10159	44.6
123.08078	5.9
123.11692	21.3
125.09667	2.8
127.03914	4.7
129.07027	4.7
131.08594	26.3
133.06549	3.1
133.10135	52.4
135.08067	5.8
135.11699	51.1
137.06039	2.8
137.09612	6.7
137.13290	5.3
139.07637	2.8
139.11168	3.9
139.80229	2.1
142.07813	4.3
143.08620	12.6
144.09377	3.0
145.10138	49.0
146.64262	2.1
147.04390	3.2
147.08089	5.1
147.11702	39.1
147.12823	3.3
149.02345	16.0
149.09631	82.0
149.13275	15.4
151.11211	4.0
153.09131	2.2
155.08594	3.1
156.09395	3.0
157.10117	23.4
158.10947	3.5
159.08080	4.2
159.11703	39.6
161.09668	5.9
161.13277	37.4
163.11208	6.3
163.14827	16.5
165.12759	4.7
169.10135	8.0
170.10921	5.4
171.11694	20.5
173.09604	4.1
173.13269	21.8
175.11261	4.4
175.14836	15.5
177.05539	5.2
177.12766	2.9
177.16420	7.3
179.08559	2.2
179.14297	4.7
183.10248	2.1
183.11638	9.3
185.13283	41.6
187.11240	5.7
187.14833	38.9
189.12703	4.1
189.16402	46.8
191.17970	26.7
193.12306	3.1
195.11623	2.2
197.13304	6.0
199.14835	28.1
201.16388	24.9
203.14395	6.4
203.17990	29.0
205.12248	6.2
205.15933	12.0
205.19455	2.3
207.13940	10.4
207.17461	27.5
211.14870	7.3
213.12805	2.2
213.16423	15.7
215.14366	3.0
215.17999	10.9
217.12434	4.2
217.15909	33.8
217.19479	4.2
219.14082	3.1
219.17487	10.7
219.20940	2.1
221.15421	3.5
221.19061	4.1
223.15024	4.4
225.16417	3.8
227.17978	8.6
229.12338	2.6
229.19591	6.0
231.13840	15.1
231.17514	3.1
233.15385	28.4
235.13347	3.0
237.16380	2.4
239.18040	3.0
241.19592	3.5
243.13631	2.3
243.21156	4.0
245.15425	17.1
245.19083	3.7
247.16974	11.0
253.19504	4.7
255.20944	2.2
257.15439	4.3
259.16849	4.7
267.21039	3.8
271.20685	2.0
273.18433	2.4
279.21100	2.2
283.20593	2.9
285.22217	2.1
293.22638	3.4
295.24179	2.7
299.20062	4.6
301.21576	3.2
309.28000	5.5
313.21503	4.3
323.27368	7.4
341.28442	4.2
351.26883	9.7
369.27948	22.2
381.16733	2.5
389.32123	10.9
407.33109	66.3
425.34229	100.0
435.32693	40.6
453.33670	60.3
471.16226	27.7
471.22092	15.1
471.34723	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
51.02383	2.8
53.03941	3.6
54.22681	1.6
55.05508	12.1
57.03445	1.8
57.07067	6.1
65.03935	2.3
67.05502	21.4
69.07065	21.6
69.20631	17.2
77.03918	1.9
79.05501	17.5
79.95547	1.7
81.06590	2.6
81.07060	42.3
83.04999	4.0
83.08630	8.1
85.02903	3.7
85.06524	1.7
89.06042	1.6
91.05486	27.0
93.07049	53.2
95.04961	3.7
95.08614	74.1
97.06519	4.7
97.10162	5.6
98.20709	3.0
105.07033	52.4
107.08600	54.7
109.06509	4.2
109.10162	46.1
111.08105	5.5
111.11676	2.4
117.07024	12.1
119.08583	49.6
121.10147	47.2
123.08052	3.7
123.11727	20.7
125.05979	5.2
125.09624	2.6
127.03869	2.9
128.06238	3.2
129.07019	8.0
131.08572	28.3
133.10127	41.9
135.04414	2.0
135.08057	2.6
135.11693	34.2
137.06004	3.1
137.13338	3.8
141.06998	2.5
142.07730	5.8
143.08575	21.3
144.09389	4.5
144.10544	2.0
145.10123	39.8
147.11685	36.3
149.05992	12.0
149.13261	13.8
151.07497	3.4
151.11179	3.5
151.14803	2.7
155.08591	2.6
156.09332	5.2
157.10120	33.3
159.08127	2.0
159.11702	37.9
160.12511	2.3
161.09662	2.7
161.13275	26.5
163.07538	6.4
163.14845	16.7
169.10147	4.2
170.10953	7.5
171.11708	19.1
173.13277	17.4
175.07571	4.2
175.14847	19.5
177.09113	3.9
177.12823	4.7
177.16386	7.0
179.14346	4.4
183.11713	6.8
185.13269	26.8
187.14848	19.8
189.09047	2.0
189.12794	12.0
189.16393	34.5
191.10744	6.7
191.14365	2.6
191.17949	73.6
194.81462	1.6
197.13214	4.4
199.14824	17.5
201.12825	4.9
201.16386	23.6
203.10690	5.0
203.14337	9.0
203.17963	35.0
205.12257	9.0
205.15836	3.1
205.19499	2.5
207.17441	7.3
209.11598	2.7
209.13368	2.4
211.14952	3.4
213.12671	2.6
213.16432	6.1
215.14391	4.0
215.17978	6.3
217.12247	6.5
217.15834	9.5
217.19534	5.8
219.13878	8.9
219.17372	4.0
221.11722	2.0
221.19133	4.6
223.13283	6.5
227.14432	3.9
227.18008	4.9
229.12402	3.1
229.15979	2.4
229.19479	8.5
231.13829	11.2
231.17389	4.6
231.21085	5.4
233.15346	10.9
235.13245	14.6
243.13783	2.1
243.17445	2.2
243.21056	4.1
245.15408	30.5
245.22632	2.2
247.13271	5.2
247.16982	2.7
249.14859	9.8
255.21024	2.2
257.15347	3.4
257.19043	2.0
259.20447	1.9
261.14926	4.2
263.16400	40.1
271.24170	2.4
275.16431	2.2
289.18225	3.3
291.19690	2.9
301.18115	2.4
303.19534	5.9
317.20959	2.0
331.22989	2.1
389.32297	4.9
407.32980	17.7
409.16232	2.7
425.34225	12.4
435.32935	9.1
453.33646	100.0
471.16327	29.0
471.28619	3.0
471.34641	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03950	5.2
55.05517	16.0
57.03447	2.8
57.07071	4.5
65.03935	4.5
67.05508	31.5
69.03419	8.8
69.07074	28.3
70.06597	4.4
71.04988	6.5
71.51896	5.5
73.02898	3.0
74.67358	3.0
79.05494	29.5
81.03428	5.6
81.06596	3.6
81.07059	67.5
82.37715	2.8
83.04964	10.7
83.08608	14.3
85.02887	11.6
85.06530	8.6
87.04444	4.2
91.05476	28.2
93.06492	4.0
93.07050	66.0
95.04960	9.8
95.08608	85.6
97.02898	4.9
97.06518	10.6
97.10173	8.8
98.53453	2.4
99.04435	5.0
105.07039	66.1
107.04949	4.2
107.08601	69.6
109.06513	6.6
109.10156	57.4
111.04395	2.8
111.08077	8.5
111.11726	4.7
112.36137	2.6
117.07023	13.4
119.08595	65.5
121.06474	3.7
121.09324	4.7
121.10149	55.8
123.08041	6.9
123.11725	24.4
125.05955	6.3
125.09601	6.4
127.03894	9.8
127.11189	4.3
128.06236	2.8
128.31126	2.6
129.07010	4.9
131.08575	33.4
133.10132	43.0
135.08057	6.2
135.11694	48.1
137.05966	4.2
137.09622	5.3
137.13232	6.9
139.07530	3.9
139.11182	3.2
142.07770	7.0
143.08563	23.2
144.09384	3.9
145.02870	6.3
145.06557	3.3
145.10138	49.4
147.04463	7.9
147.07980	3.4
147.11668	40.2
149.05983	10.5
149.09613	7.6
149.13255	20.2
151.07565	4.8
151.11188	7.8
155.08546	3.7
156.09340	3.4
157.10127	35.7
159.11702	42.1
161.09592	6.4
161.13249	32.2
163.07579	5.4
163.11195	6.3
163.14847	15.8
165.12778	5.4
165.16338	2.9
169.10181	3.4
170.10909	6.6
171.11684	18.7
173.13289	24.8
175.07600	3.2
175.11197	6.3
175.14867	21.8
177.05437	8.6
177.12703	4.1
177.16423	9.4
179.14346	8.4
181.12299	3.2
182.11014	3.1
183.11682	5.6
185.13272	23.7
187.14789	24.2
189.09123	4.4
189.12715	11.5
189.16408	29.5
191.10684	5.7
191.14290	5.1
191.17964	71.5
195.11687	3.6
197.13280	6.2
199.14798	19.7
201.16406	28.9
203.10658	4.8
203.14301	10.1
203.17946	31.3
205.12279	12.9
205.15822	4.9
207.17398	7.9
211.14850	5.1
213.12897	3.5
213.16400	9.2
215.17917	5.5
217.12190	8.0
217.15871	14.3
217.19458	6.8
219.13808	9.7
221.18944	3.7
223.13260	9.2
227.14404	4.0
227.17921	4.2
229.19547	9.9
231.13722	9.2
231.21030	4.9
233.15411	7.7
235.13225	11.9
241.19557	3.1
245.15398	21.5
245.22719	3.1
249.14870	13.5
263.16440	47.0
303.19580	3.7
331.22672	3.2
386.94290	3.2
407.33142	14.0
425.33966	10.4
435.32764	12.9
453.15216	8.6
453.33661	100.0
454.34036	3.1
471.16373	47.7
471.22028	5.0
471.34836	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05503	1.4
57.03440	1.6
57.07076	0.8
59.05006	0.4
61.02916	0.6
63.85871	0.3
65.03938	0.8
67.05516	6.1
69.03435	1.9
70.06588	1.2
71.01363	0.4
71.05004	24.1
71.50874	0.4
72.08189	0.4
73.02917	1.2
79.05492	1.1
81.03415	0.9
81.07068	13.8
82.06618	0.4
83.04992	2.7
83.08640	0.4
84.08147	0.4
85.02917	9.7
85.06086	0.5
85.06559	6.7
86.09695	0.4
87.04462	0.7
91.05497	2.2
91.55256	0.3
94.27219	0.3
95.04987	0.5
95.08617	1.3
95.75568	0.4
97.02895	2.8
99.04477	0.7
99.08109	0.4
107.04971	4.2
109.02872	0.6
110.06078	0.5
111.04440	1.6
115.03937	0.9
119.04983	4.2
122.06080	0.4
123.04412	0.4
123.08066	0.3
123.11726	5.1
124.07603	0.6
127.03902	1.6
129.05487	2.2
133.04971	0.8
135.04457	0.7
136.07591	0.8
137.02383	0.4
137.06021	0.5
141.12759	28.7
144.08174	0.4
145.05048	0.5
147.04439	1.7
152.07066	1.4
154.08618	0.5
159.13828	15.5
159.35741	0.3
162.05569	0.9
163.03928	100.0
164.04288	0.8
177.05522	0.9
177.14883	17.8
191.03429	1.3
207.02936	1.5
207.07695	1.3
208.06114	0.9
208.09692	0.5
223.06071	0.5
231.06577	0.5
235.02443	0.9
255.06418	0.5
265.11838	0.6
292.11957	0.5
309.10767	0.3
309.14462	1.4
325.09216	6.9
339.20145	1.0
396.85712	0.4
407.03851	0.4
411.12198	0.4
471.14368	1.7
471.20859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.8
53.03941	3.6
54.22681	1.6
55.05508	12.1
57.03445	1.8
57.07067	6.1
65.03935	2.3
67.05502	21.4
69.07065	21.6
69.20631	17.2
77.03918	1.9
79.05501	17.5
79.95547	1.7
81.06590	2.6
81.07060	42.3
83.04999	4.0
83.08630	8.1
85.02903	3.7
85.06524	1.7
89.06042	1.6
91.05486	27.0
93.07049	53.2
95.04961	3.7
95.08614	74.1
97.06519	4.7
97.10162	5.6
98.20709	3.0
105.07033	52.4
107.08600	54.7
109.06509	4.2
109.10162	46.1
111.08105	5.5
111.11676	2.4
117.07024	12.1
119.08583	49.6
121.10147	47.2
123.08052	3.7
123.11727	20.7
125.05979	5.2
125.09624	2.6
127.03869	2.9
128.06238	3.2
129.07019	8.0
131.08572	28.3
133.10127	41.9
135.04414	2.0
135.08057	2.6
135.11693	34.2
137.06004	3.1
137.13338	3.8
141.06998	2.5
142.07730	5.8
143.08575	21.3
144.09389	4.5
144.10544	2.0
145.10123	39.8
147.11685	36.3
149.05992	12.0
149.13261	13.8
151.07497	3.4
151.11179	3.5
151.14803	2.7
155.08591	2.6
156.09332	5.2
157.10120	33.3
159.08127	2.0
159.11702	37.9
160.12511	2.3
161.09662	2.7
161.13275	26.5
163.07538	6.4
163.14845	16.7
169.10147	4.2
170.10953	7.5
171.11708	19.1
173.13277	17.4
175.07571	4.2
175.14847	19.5
177.09113	3.9
177.12823	4.7
177.16386	7.0
179.14346	4.4
183.11713	6.8
185.13269	26.8
187.14848	19.8
189.09047	2.0
189.12794	12.0
189.16393	34.5
191.10744	6.7
191.14365	2.6
191.17949	73.6
194.81462	1.6
197.13214	4.4
199.14824	17.5
201.12825	4.9
201.16386	23.6
203.10690	5.0
203.14337	9.0
203.17963	35.0
205.12257	9.0
205.15836	3.1
205.19499	2.5
207.17441	7.3
209.11598	2.7
209.13368	2.4
211.14952	3.4
213.12671	2.6
213.16432	6.1
215.14391	4.0
215.17978	6.3
217.12247	6.5
217.15834	9.5
217.19534	5.8
219.13878	8.9
219.17372	4.0
221.11722	2.0
221.19133	4.6
223.13283	6.5
227.14432	3.9
227.18008	4.9
229.12402	3.1
229.15979	2.4
229.19479	8.5
231.13829	11.2
231.17389	4.6
231.21085	5.4
233.15346	10.9
235.13245	14.6
243.13783	2.1
243.17445	2.2
243.21056	4.1
245.15408	30.5
245.22632	2.2
247.13271	5.2
247.16982	2.7
249.14859	9.8
255.21024	2.2
257.15347	3.4
257.19043	2.0
259.20447	1.9
261.14926	4.2
263.16400	40.1
271.24170	2.4
275.16431	2.2
289.18225	3.3
291.19690	2.9
301.18115	2.4
303.19534	5.9
317.20959	2.0
331.22989	2.1
389.32297	4.9
407.32980	17.7
409.16232	2.7
425.34225	12.4
435.32935	9.1
453.33646	100.0
471.16327	29.0
471.28619	3.0
471.34641	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.1
53.94794	1.8
55.01870	2.0
55.05510	18.7
57.03429	3.3
57.07064	2.1
59.05004	7.6
67.05240	1.3
67.05511	14.9
69.03427	6.0
69.07072	51.8
69.33347	6.7
69.33774	5.6
70.06577	1.6
71.04981	2.8
73.02905	2.4
73.06542	2.8
75.89133	1.5
79.05497	14.8
81.03410	1.6
81.06595	2.5
81.07064	38.5
83.04986	10.1
83.08618	5.8
85.02893	3.9
85.06540	4.7
87.04474	16.7
89.06039	39.6
89.89340	1.4
91.05482	3.8
93.07047	33.4
95.04979	2.0
95.08607	24.6
97.02934	1.7
97.06534	17.6
97.10172	19.0
97.78202	1.7
99.04472	4.6
99.08082	3.3
101.06039	3.0
107.08560	3.5
109.10168	3.6
111.08099	2.6
111.11742	8.8
117.09102	1.9
119.08581	1.9
121.10143	39.5
123.11674	2.4
127.03967	2.8
129.09119	1.8
133.07654	3.1
133.08609	36.0
133.10124	2.6
135.11725	2.5
139.11191	100.0
146.08167	2.3
157.12247	63.3
177.11232	6.5
183.13824	74.7
190.64185	1.5
197.15370	3.6
199.13387	1.8
201.14836	17.8
215.16426	6.1
221.13818	5.1
239.14888	16.5
241.18028	7.9
245.17543	4.3
259.19131	3.3
279.17981	3.0
289.20007	3.1
297.19110	1.9
333.22690	3.4
349.75186	1.8
377.25348	6.6
409.16183	2.3
435.19394	1.7
435.29590	10.4
453.30649	10.3
470.14890	2.8
470.33664	1.6
471.16324	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.03437	1.0
63.27145	0.3
67.05490	0.4
67.58602	0.3
69.03439	0.7
69.85324	1.7
71.05008	7.6
75.04443	0.4
81.07060	1.0
83.05003	3.1
85.02919	6.3
85.06529	0.3
91.05505	2.3
93.03959	0.3
97.02937	0.4
107.04974	3.6
111.04456	1.5
119.04971	4.5
127.03971	0.4
129.05470	1.1
135.04431	0.5
141.12769	1.3
147.04449	0.6
147.06618	0.3
159.13881	0.5
163.03935	100.0
164.04289	0.9
177.14885	0.9
231.06673	0.7
263.46985	0.3
325.09204	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	471.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14559	0.6
58.99868	0.7
69.03430	1.8
70.84269	1.7
71.05001	1.4
75.66702	0.6
81.03411	1.8
82.06567	0.9
82.99860	1.5
84.08121	0.8
85.02901	2.4
87.04470	0.6
94.99944	0.6
97.02900	1.2
98.97581	0.9
99.04462	1.5
99.10772	0.7
100.07649	3.9
101.00885	13.5
103.00647	1.1
107.03342	0.6
109.02885	1.9
113.00875	2.5
115.02425	1.6
115.57050	0.5
119.01934	16.9
127.02422	2.0
127.03942	1.8
131.01910	5.4
133.03462	4.3
137.02969	1.4
139.02432	1.8
141.00305	0.9
142.01161	0.6
143.01906	17.3
145.01775	0.6
145.03479	4.4
146.08109	6.8
151.04567	0.7
155.01872	4.6
156.02589	0.7
157.03481	16.6
159.01338	2.6
160.02229	0.9
161.02971	25.1
163.02635	0.7
167.01869	3.1
169.03470	2.0
171.05057	2.1
173.02956	7.9
175.03220	0.5
175.04543	10.1
177.02518	0.6
181.03505	1.0
183.05031	2.5
185.02982	12.5
187.03033	0.8
187.04509	3.9
189.06140	1.8
191.04008	1.9
197.03067	1.5
199.04532	3.7
201.06100	2.4
201.43523	0.6
203.04047	7.7
205.03641	0.7
205.05547	1.3
213.95657	0.6
215.03972	0.8
217.05566	2.5
221.05080	1.2
223.04424	0.8
227.03996	1.0
235.04391	0.6
235.06644	1.4
241.05437	0.7
245.05057	5.1
247.04843	1.2
253.07759	1.0
259.06747	3.5
263.06003	0.6
277.07706	100.0
278.07898	1.4
279.07071	0.7
287.19995	0.6
295.08762	66.8
297.08459	0.6
318.10355	2.4
321.10480	1.8
323.10269	1.3
326.12054	0.9
365.07318	1.4
411.13165	1.6
429.14383	1.6
447.11621	0.7
471.13678	3.9
489.14853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3682
Annotation	Monocarpinine
Peak:m/z	Relative Intensity
53.03946	2.3
55.01868	1.9
55.05269	1.2
55.05518	15.4
57.07081	6.8
65.03942	0.7
67.05513	10.6
69.07075	22.2
69.17258	7.0
71.08627	3.4
73.24866	0.8
75.63438	0.6
79.05498	6.6
81.03425	1.5
81.07068	16.2
83.04989	1.3
83.08631	14.9
85.10182	1.5
89.06046	3.2
91.05482	12.8
93.07053	25.3
93.07641	1.5
95.04981	2.3
95.08617	41.4
97.02912	1.8
97.06551	1.7
97.10174	7.4
105.04581	0.8
105.07041	13.4
107.05004	1.2
107.08604	15.4
109.06536	1.9
109.10168	11.8
111.04462	2.4
111.08086	2.4
111.11718	2.4
115.05446	0.8
117.07025	4.6
118.19804	0.6
119.04987	3.3
119.08591	12.8
121.06518	7.5
121.10155	11.5
123.08106	1.3
123.11732	5.9
128.06218	1.2
129.06975	4.6
131.08583	12.0
133.06516	5.3
133.08609	1.2
133.10124	8.9
135.08086	3.2
135.11702	8.3
137.09645	1.0
137.13275	7.3
139.07565	1.6
139.14827	1.5
141.06952	1.1
142.07814	0.8
143.08565	6.2
144.55936	0.8
145.06493	1.3
145.10146	9.4
147.08046	7.7
147.11688	8.6
149.05997	1.1
149.09633	3.3
149.13258	7.2
151.14815	0.8
155.08623	1.3
156.09389	0.9
157.10162	4.8
159.08096	2.0
159.11702	6.4
161.09650	3.2
161.13271	3.2
163.07635	1.3
163.11206	1.8
163.14885	2.0
165.16379	1.8
167.08626	0.8
169.10136	1.3
171.08157	2.3
171.11684	3.7
173.09627	7.1
173.13281	3.0
175.11208	1.7
175.14813	1.7
177.09140	1.0
177.16402	2.2
181.10170	1.3
183.11783	2.3
185.09624	2.4
185.13264	3.9
187.11179	1.9
187.14836	2.4
189.09134	1.2
189.12749	0.8
189.16461	1.1
191.10661	6.9
191.17818	1.0
195.11646	0.8
197.13300	1.6
199.11249	1.1
199.14832	3.2
201.12791	1.0
201.16582	0.9
203.10808	0.9
205.12354	1.1
207.11575	0.8
209.13396	1.1
211.11299	1.1
213.12782	1.2
217.15860	0.8
219.13931	1.4
223.14880	1.2
225.12846	1.1
225.16382	0.8
227.14445	1.5
230.24751	1.0
231.13835	2.1
239.18048	1.2
245.15413	2.0
249.16290	1.0
253.19699	0.7
261.25906	1.3
265.15881	1.4
267.17487	2.2
283.17416	1.4
285.18619	0.9
313.21741	1.1
321.22296	1.1
339.23254	1.2
339.26978	0.9
355.29962	0.9
357.27863	16.5
405.31332	1.0
423.36447	1.5
433.34741	5.4
451.35748	37.1
452.36148	1.1
469.36838	100.0
470.37177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.6
57.07085	100.0
57.11648	1.9
58.04215	2.5
59.05007	31.0
59.27094	2.0
67.05502	4.3
68.01945	2.3
69.07054	6.8
69.14970	25.1
71.08644	93.2
72.05776	4.4
73.06564	2.8
81.07039	7.4
82.60658	2.1
83.08614	5.4
84.62861	2.1
85.10197	76.5
87.04488	5.4
89.06049	16.8
90.01928	19.3
93.07030	3.2
95.08583	5.3
99.11750	13.2
101.09631	2.7
103.07603	4.6
104.29076	2.2
104.85883	2.1
105.07045	3.0
107.08577	3.9
109.06548	2.5
109.10182	2.9
117.09115	8.5
133.08615	4.4
141.16383	7.7
155.17931	4.8
162.59218	2.5
169.15898	2.5
178.07147	3.6
187.03673	2.6
199.20673	12.0
199.22214	2.1
214.61076	2.5
222.09641	2.9
240.10809	4.0
257.24832	6.8
284.17572	2.7
345.28128	3.7
469.37283	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	469.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66333	1.4
52.33760	1.6
53.03951	3.4
55.01891	2.0
55.05510	4.9
56.20123	1.5
57.03440	4.0
59.04993	2.7
64.11600	1.6
67.05520	5.6
69.03445	11.9
69.07075	9.1
70.06595	1.5
71.04999	20.5
71.50772	2.1
74.15198	1.5
74.37613	1.5
74.67731	1.7
79.05495	8.1
79.45951	1.4
81.03419	4.7
81.07060	22.0
83.04989	6.3
83.08601	2.4
83.19209	1.4
85.02918	15.1
85.06533	4.6
91.05499	4.5
93.07059	10.6
95.04983	6.4
95.08617	10.8
97.02912	3.3
97.06509	9.7
99.04421	2.9
99.08106	5.8
105.07054	6.1
107.04900	1.7
107.08604	16.0
109.02895	5.8
109.06525	5.6
109.10163	17.2
111.08121	4.7
113.05994	2.9
119.08579	7.4
121.08826	1.7
121.10168	11.0
122.06057	3.5
123.04414	3.1
123.08092	3.4
123.11767	1.9
125.09653	7.0
127.03943	7.7
127.07561	3.2
127.11210	32.6
131.08559	2.2
133.10167	7.3
135.08083	3.3
135.11736	2.7
136.07503	1.8
137.09627	21.1
139.11205	4.3
145.04979	3.2
145.08629	1.9
145.10132	3.9
147.11671	5.6
149.08435	2.2
149.09633	36.3
149.13219	2.6
151.11134	1.7
153.09132	4.5
155.10715	21.6
157.10120	3.0
163.03990	2.4
163.11246	4.1
165.12738	3.0
167.10699	30.4
169.12239	2.1
175.14850	2.5
177.05373	1.6
178.08682	8.1
185.04208	2.0
185.11734	7.7
189.16423	2.7
193.72856	1.7
202.08772	1.9
205.15906	6.2
206.08286	2.9
207.17419	2.5
207.24567	1.5
213.09241	1.9
217.15923	5.4
219.11375	2.3
221.04001	1.6
223.16978	20.0
232.07071	3.2
235.16957	43.1
247.10732	3.4
253.18024	35.4
271.19070	100.0
277.10748	2.9
289.11780	4.2
289.15259	3.5
289.20181	9.5
307.12878	5.6
307.21271	8.2
403.14819	2.1
415.23059	1.6
418.85208	1.6
433.16208	8.1
433.65302	1.8
451.17194	10.5
469.16882	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01865	2.7
55.05509	3.8
57.03442	2.3
57.95958	1.0
59.86092	1.1
61.02921	1.5
64.99445	1.1
67.05499	6.0
67.37516	0.9
69.03431	11.0
69.07064	7.6
69.86068	5.7
70.06599	2.2
71.05000	20.9
73.02923	1.7
73.06534	1.1
79.05507	6.0
81.03413	4.7
81.07063	17.6
83.04977	5.2
84.08148	1.9
85.02912	11.6
85.06570	5.8
86.06049	1.4
87.04463	1.6
91.05482	4.4
93.07064	11.6
95.04966	4.3
95.08620	7.5
97.02895	3.8
97.06545	11.9
97.10194	2.0
99.04459	2.0
99.08105	5.1
101.06057	1.1
105.07025	6.9
107.08610	12.4
109.02869	4.6
109.06528	5.7
109.10163	14.2
111.04426	1.6
111.08046	1.7
113.06017	1.1
117.07013	1.3
119.08579	6.9
120.08092	2.0
120.11086	1.0
121.06499	2.6
121.10165	9.9
122.06020	1.8
123.08055	3.9
123.11674	1.9
124.07600	2.2
125.09651	9.9
127.03937	5.1
127.07581	2.6
127.11201	37.9
129.07056	1.4
131.08563	3.4
133.10139	6.6
135.08058	4.0
135.11687	3.3
136.07567	3.9
137.05971	1.4
137.09630	23.9
139.11191	4.7
140.07060	2.2
141.09157	1.7
143.07056	1.9
143.08511	1.3
143.10651	1.3
145.04971	1.5
145.08597	2.2
145.10152	3.3
147.11684	6.8
148.07562	1.1
149.09627	33.8
149.13254	3.5
151.11206	1.8
152.07152	1.4
153.09154	3.0
153.12776	1.4
155.10681	20.5
157.10103	2.5
157.12178	1.8
159.11693	3.0
161.05995	1.6
161.09669	1.9
163.04066	1.3
163.11182	2.5
164.07095	2.8
165.12769	4.3
166.48656	1.0
167.10684	28.6
168.06561	2.2
174.05515	1.5
175.11281	1.3
175.14865	2.5
177.05428	1.3
177.16367	1.7
178.08641	15.1
183.02919	1.2
183.06671	1.0
183.13818	1.2
185.11694	5.3
187.14886	1.2
189.16341	4.0
193.15887	3.3
199.14825	1.5
202.08580	3.0
205.09720	2.8
205.15871	4.8
206.08099	3.3
207.17561	2.4
213.09082	2.0
216.64429	1.0
217.15878	4.8
219.11276	2.5
223.16946	25.6
229.09766	2.1
230.08105	2.5
235.16962	38.2
243.14973	1.6
244.09677	1.4
247.10765	10.5
253.18027	33.3
259.09659	1.7
260.07916	1.1
261.12253	1.6
265.11816	4.9
271.11069	7.4
271.14288	3.4
271.19058	100.0
277.10809	2.0
279.12082	2.0
289.11835	14.4
289.15417	3.6
289.20117	10.7
307.12866	14.8
307.21063	12.0
349.13919	5.2
373.13861	1.3
381.71094	1.1
391.15042	2.7
409.15891	2.8
415.15152	3.2
433.16144	12.8
451.17191	19.4
469.18512	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	468.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86219	0.5
52.84736	0.5
57.03429	1.5
58.06627	1.1
61.02920	2.0
63.41266	0.5
65.03943	0.7
67.05506	1.6
69.03443	1.2
69.07077	1.2
69.77168	2.7
70.06602	1.2
71.04978	1.2
72.08169	8.7
73.02913	1.3
79.05478	1.6
81.03416	1.3
81.07069	2.5
83.04960	1.4
84.08149	1.1
85.02913	4.2
86.03246	1.3
86.09716	2.9
87.04463	0.6
89.03922	2.0
89.10791	1.6
91.03967	1.2
91.05486	4.7
92.65047	0.5
93.04408	0.5
93.07053	1.7
95.04951	0.9
95.08598	1.5
97.02894	2.4
97.06578	0.9
98.09708	0.8
98.20875	1.0
103.12370	0.7
105.07031	0.7
107.04966	1.1
107.08554	1.1
109.02888	0.7
109.06492	0.8
109.10166	0.9
115.03918	0.9
116.07112	0.7
117.50394	0.6
119.04970	13.6
119.08630	0.9
121.10162	1.9
123.11770	3.0
127.03920	1.4
130.06575	0.8
135.04454	6.2
137.02400	0.7
137.06000	0.7
137.09665	0.8
138.02617	0.6
139.11211	3.5
143.15472	1.3
145.02878	6.8
145.04959	1.1
147.04431	98.5
148.04747	0.8
153.09138	0.9
154.02106	0.6
157.12230	1.4
162.05528	0.7
163.03929	67.6
164.07111	0.6
165.01741	0.7
167.10730	0.8
171.10193	1.0
172.07603	1.5
184.07367	0.7
185.11755	0.7
189.11192	0.8
191.08203	0.7
203.47298	0.5
204.10231	58.3
205.10619	0.6
215.07094	0.6
218.11768	5.7
220.09729	39.2
230.05370	0.9
231.05370	0.8
234.11264	6.4
235.14474	1.5
243.16020	1.7
249.15979	0.8
251.13884	0.8
253.18016	1.2
257.13889	1.4
257.16589	0.5
259.09781	1.7
265.15552	2.3
289.19177	1.5
301.13754	0.5
303.05023	4.8
304.05371	13.1
305.05539	9.6
305.18756	1.9
306.05853	18.4
306.21869	3.5
322.21155	3.1
349.30328	0.5
468.25024	100.0
469.25253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.4
53.44201	1.0
55.05500	1.8
56.71506	1.0
57.07079	99.1
59.05005	31.4
69.07066	2.2
69.64496	5.3
71.08636	100.0
76.04590	0.9
83.08617	4.6
85.10188	87.1
87.04478	1.8
89.06036	49.7
97.10177	0.9
99.11740	11.1
101.09638	2.8
103.07620	1.4
111.11712	1.1
114.41358	1.1
117.09145	6.6
131.07030	1.1
133.07664	1.8
133.08611	23.0
141.16383	10.1
147.10168	4.2
155.18016	1.5
175.09671	1.6
176.49405	1.0
177.11250	23.0
195.12276	13.8
199.18826	2.0
199.20583	26.2
235.15347	6.5
239.14865	2.4
240.23105	1.5
253.16469	7.0
257.24783	18.0
283.17581	8.2
293.19684	2.6
297.18982	1.5
407.01883	1.0
451.36282	8.2
468.38947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01865	1.9
55.05520	2.1
55.43425	0.4
57.03426	2.0
59.04988	0.8
61.02921	0.6
67.05489	0.4
69.03089	0.7
69.03436	11.1
69.13913	4.4
70.06569	0.4
71.01334	0.7
71.05002	5.5
73.02927	0.7
79.05486	0.6
81.03422	25.6
81.07076	2.7
83.04986	4.9
83.08625	1.0
84.08133	0.5
85.02908	3.0
91.05486	1.1
93.07027	0.9
95.08585	0.5
97.06545	0.8
98.09677	1.1
99.03853	0.8
99.04460	12.1
99.08076	0.7
100.07626	1.5
100.11266	2.1
103.03957	2.2
105.07007	0.8
107.08615	0.5
109.02892	10.2
109.10194	0.6
111.04482	1.1
116.04971	0.6
116.10736	1.0
117.05473	2.6
118.06562	3.2
127.03925	2.8
127.11227	0.5
128.07086	0.6
136.07584	0.6
137.05946	0.6
145.07628	4.0
147.04405	0.7
147.09192	8.4
149.02290	0.7
162.07874	0.9
163.03894	0.8
163.08656	1.1
173.07115	8.8
175.08701	11.4
177.05402	0.6
182.15430	2.5
187.08774	0.5
190.07382	0.4
191.08167	100.0
192.08569	0.6
198.14906	2.6
199.08698	0.9
203.08255	0.6
203.11935	0.6
204.08893	1.2
208.36989	0.5
209.16792	0.6
210.14957	3.0
213.10255	0.9
226.14391	1.9
227.08168	0.6
227.17685	0.8
231.11232	1.2
233.09160	0.9
236.08035	0.5
243.11305	1.0
244.20255	1.0
259.09647	0.5
271.10751	2.4
273.87054	0.5
289.11853	7.6
307.12903	35.2
325.13971	35.1
331.12885	8.2
337.21399	1.0
349.13937	7.6
354.23904	2.6
371.16110	2.2
389.17059	3.6
397.13919	4.7
407.18182	1.0
415.15018	12.1
433.16116	13.4
434.02161	0.5
451.17160	13.0
451.32959	0.6
452.31253	1.6
469.33789	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.9
57.03429	1.3
57.06795	1.4
57.07079	29.5
59.04992	3.8
65.03948	1.9
67.05509	83.0
69.03429	1.0
69.07079	9.4
71.04995	2.1
71.08636	16.4
71.52045	1.3
79.05492	3.9
81.07060	20.5
83.08624	13.8
85.06550	2.1
85.10190	11.6
91.05495	7.5
93.07058	2.5
95.08612	19.7
97.10202	5.1
99.08112	1.0
99.11720	1.6
105.07036	1.5
107.08617	3.1
109.10162	58.7
111.08068	2.0
111.11744	1.2
119.08573	4.9
123.08072	1.5
123.11729	3.7
125.13384	1.0
137.05974	1.1
137.09647	2.2
137.13280	1.3
155.10698	4.0
157.10237	1.3
157.81432	1.0
173.11755	21.3
173.13202	2.1
177.78442	0.8
215.16508	1.1
239.23659	5.6
340.22165	1.0
346.18396	1.0
467.37384	100.0
468.37784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01862	2.2
55.05515	6.6
56.05032	1.9
57.03424	3.1
57.07072	3.1
59.05003	1.0
60.55226	1.0
61.02927	1.4
65.03939	1.2
67.05511	15.4
69.03436	6.2
69.07072	16.0
70.06567	1.1
71.04994	1.2
71.52367	1.3
73.02899	1.9
73.35020	1.0
76.80587	1.1
79.05131	1.1
79.05502	11.1
81.03416	3.8
81.07066	19.8
83.04996	1.4
83.08614	3.1
85.02909	7.1
87.00837	4.4
89.20663	1.2
91.05490	18.0
93.07052	18.8
95.04964	3.8
95.08621	17.5
97.02890	4.6
97.06557	5.6
97.10160	1.1
99.04404	1.0
103.05469	1.8
103.66857	1.0
105.01862	2.5
105.07038	50.8
107.04930	1.1
107.08611	20.2
109.02869	5.7
109.06502	2.2
109.10168	16.8
111.08115	1.2
115.05476	1.4
117.05531	1.2
117.07020	14.1
119.08595	26.9
121.06570	1.2
121.10152	37.7
123.04436	1.9
123.08073	2.0
123.11711	2.6
125.09631	1.1
127.03924	8.0
127.08915	0.9
128.06241	1.9
129.07019	9.3
130.07803	11.8
131.08583	19.9
132.44434	1.0
133.10139	38.7
135.08049	2.5
135.11723	2.5
136.07596	3.0
137.05943	1.1
137.13316	1.0
142.07794	1.4
143.08597	8.1
144.09332	8.2
145.05028	2.4
145.10133	100.0
146.10707	1.0
147.04407	2.4
147.11678	6.5
149.09566	1.5
149.13284	2.6
151.03920	7.0
151.07504	1.7
157.10130	6.0
158.10933	4.0
159.02885	1.7
159.11702	56.8
161.13312	2.5
163.03954	1.7
163.11191	3.5
164.07112	2.5
171.11714	3.6
172.12428	1.4
173.13295	10.4
175.14795	1.5
177.05472	2.1
177.12921	1.3
181.12265	1.5
183.11690	1.1
184.11328	1.6
201.16405	54.5
203.17949	4.2
219.17506	4.8
231.17342	1.2
259.09692	2.1
305.10074	1.2
386.16672	1.4
467.18372	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3527
Annotation	Vitamin K1 epoxide
Peak:m/z	Relative Intensity
51.54936	0.7
53.03941	2.4
55.01869	2.0
55.05513	11.4
57.07082	10.4
65.03932	1.6
67.05511	34.5
69.07075	27.2
69.49818	3.1
69.50243	2.1
71.08643	8.8
77.69794	0.7
79.05150	0.9
79.05505	10.2
81.03397	0.7
81.07064	46.4
83.04971	2.3
83.08624	8.4
85.06559	0.9
85.10168	4.2
86.15820	0.8
87.44711	0.7
89.06013	1.0
91.05488	13.9
93.06484	1.5
93.07056	25.5
95.04961	2.2
95.08617	61.9
97.02879	2.1
97.06546	1.7
97.10178	3.2
103.05441	1.4
105.07041	16.2
107.04980	1.0
107.08601	15.9
109.02871	1.5
109.06526	2.2
109.10168	65.3
111.04449	1.8
111.08091	3.8
111.11737	2.5
112.79169	0.7
115.05442	1.4
117.07021	4.3
119.04987	2.4
119.08601	12.0
121.06514	8.9
121.10138	9.0
123.08059	2.2
123.11720	40.7
125.13280	1.1
129.07013	2.5
131.08572	7.6
133.06491	3.2
133.08640	0.8
133.10146	12.1
135.04413	0.8
135.08060	1.7
135.11702	5.2
137.05980	1.0
137.09587	1.5
137.13274	21.7
139.07558	3.2
141.07057	0.9
142.07785	1.1
143.08578	4.0
145.06494	1.3
145.10133	9.1
147.08067	8.7
147.11693	9.0
149.09616	2.5
149.13266	1.7
151.14832	2.2
155.08539	1.4
157.10152	5.1
159.08060	1.2
159.11694	6.4
161.09601	3.1
161.13281	3.1
163.11269	1.4
163.14822	4.0
165.16409	27.3
169.10123	1.2
171.08054	1.8
171.11717	2.5
173.09662	6.1
173.13271	2.8
175.11218	2.1
175.14798	3.4
177.16415	1.0
181.10199	1.2
183.11716	2.5
185.09695	0.7
185.13306	2.3
187.11185	1.3
187.14844	0.9
189.09148	3.2
189.16386	1.4
191.10701	4.6
195.11694	0.9
197.13266	2.1
199.11174	1.3
199.14740	0.8
201.12752	1.2
203.10596	1.4
203.14265	0.8
205.12267	0.9
207.11703	0.9
208.12578	0.8
209.13435	1.2
211.11267	0.9
211.14963	0.8
213.12744	1.5
215.18105	0.8
225.12730	1.2
227.14355	1.5
257.22568	0.8
259.24231	1.7
265.16000	1.6
267.17447	1.1
283.16971	2.2
285.18558	1.8
306.69998	0.7
313.21683	1.4
337.25330	1.4
355.26328	19.8
355.30731	1.2
403.29733	0.8
407.33163	0.8
421.34741	1.6
431.32996	5.6
431.90805	0.8
447.15527	0.8
449.34198	36.8
467.35266	100.0
468.35803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83930	0.9
55.01854	1.6
57.03442	1.5
58.74232	0.9
69.03432	6.8
70.99860	1.1
71.50872	1.9
72.08152	0.8
78.16395	0.9
79.45375	1.0
80.88618	0.9
81.03405	1.3
82.06586	1.2
82.99847	2.1
85.02916	7.3
86.99361	0.9
87.04497	1.7
87.68605	1.0
91.05488	1.3
92.09749	0.9
93.12015	0.9
97.01376	1.0
97.02898	6.3
98.97610	1.4
100.07603	5.1
101.00888	10.6
109.02896	1.2
113.00882	3.2
115.02434	4.4
115.03915	1.6
119.01924	11.8
119.04903	2.1
125.00837	1.2
127.02434	11.7
127.03904	6.3
131.01913	5.1
133.03481	3.6
133.04991	1.3
137.00856	2.1
139.02414	3.3
143.01895	12.3
145.03482	33.9
145.04753	1.6
146.08141	3.4
147.01428	1.5
147.04372	8.7
155.01894	18.8
155.03119	1.4
157.03482	15.5
159.05045	1.2
161.02950	10.1
163.04472	1.5
167.01988	8.0
169.03476	4.2
171.01338	1.1
171.04915	1.4
173.02960	14.9
173.06635	1.3
175.04584	6.3
181.03500	1.5
183.05006	2.2
185.02966	18.6
187.00891	1.3
187.02933	1.2
187.04469	4.8
189.02425	1.0
191.04047	1.3
197.02991	4.8
199.04491	3.2
201.02452	1.4
201.06093	1.1
203.04016	9.9
205.32170	1.0
206.07216	1.1
209.02980	1.6
211.04460	2.0
215.04044	3.2
216.99232	1.0
217.05649	2.9
221.03136	1.7
221.05014	5.0
223.04597	1.6
227.03996	4.2
231.07166	1.8
235.06633	27.6
239.04007	1.8
245.05096	7.6
246.05470	1.5
251.04283	1.9
253.07703	16.0
254.07999	1.3
257.05106	1.5
259.06613	2.3
269.05182	2.4
271.06635	1.8
273.07556	1.8
273.57693	1.0
275.06137	1.7
279.07471	1.1
287.06213	2.7
287.13605	1.2
289.07675	1.6
291.09341	2.2
301.07703	5.3
305.07071	2.1
319.08755	34.4
321.10059	3.7
322.10117	1.4
331.08679	2.6
349.09802	100.0
350.10095	2.9
351.09985	1.1
365.08798	1.3
367.10925	10.6
375.04001	2.0
381.10886	1.2
393.04950	1.4
467.11752	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2106
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
56.62333	0.2
56.64870	0.2
57.10302	0.2
69.03433	0.6
69.07053	0.3
70.06589	0.7
71.04996	0.2
71.52069	0.3
72.08157	0.3
81.03428	0.3
81.04536	0.5
81.07024	0.3
82.06575	0.2
84.04499	0.3
84.08118	0.2
85.02917	1.0
86.09689	0.2
89.16668	0.2
91.05482	0.3
95.05009	0.3
95.06100	0.3
97.02916	0.6
97.06576	0.2
98.97592	0.9
99.04475	0.2
100.07644	0.3
107.08588	0.2
109.02875	0.3
111.04353	0.3
115.03996	0.3
116.47235	0.2
121.06496	0.2
124.03962	0.3
124.07512	0.2
125.07081	0.2
127.03909	0.7
133.05008	0.3
136.07536	0.2
140.07071	0.4
141.06577	0.3
141.68335	0.2
143.08177	1.4
146.11031	0.2
147.04422	0.6
149.09680	0.3
151.03941	0.3
163.03897	0.5
168.06606	0.2
177.00720	0.2
237.02959	0.4
269.13147	0.3
275.14127	0.2
287.13818	0.4
289.99023	0.2
293.09039	0.8
305.15726	11.3
326.29333	0.2
347.16516	0.3
356.45459	0.2
407.12152	1.6
467.21066	100.0
468.21402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00711	1.0
53.03951	1.3
55.01868	2.7
57.03428	2.6
61.02941	1.9
65.03934	1.3
67.92056	1.1
68.99786	2.7
69.03436	1.3
70.36038	3.9
81.03424	3.0
85.02909	14.0
91.05427	1.3
95.04961	3.5
97.02902	2.8
103.03946	4.2
105.03384	1.6
107.04943	3.4
109.02875	4.1
115.05409	1.2
119.04907	1.5
121.02859	14.1
123.04439	100.0
133.02859	2.5
135.04454	7.8
137.02303	2.4
137.06003	1.8
139.03925	10.0
141.01842	1.8
141.69574	1.0
142.77469	1.2
147.04384	3.0
149.02370	3.3
151.03912	6.6
153.01799	1.8
161.02393	4.3
163.03984	7.8
165.01859	30.2
165.03270	1.6
167.03436	1.6
173.02361	10.5
175.03926	3.6
177.01865	17.3
179.03404	5.2
181.06505	4.1
183.02916	8.2
187.03882	3.4
187.07498	1.1
189.01871	9.8
191.03400	11.5
193.04990	3.1
195.02919	28.1
199.07509	2.5
201.05533	1.3
203.03424	4.8
205.05043	4.1
207.02846	1.8
209.06000	2.4
213.05537	1.2
215.03462	4.5
216.11403	1.5
217.05057	1.8
219.02934	15.6
220.11818	1.3
227.06967	3.3
229.04982	2.1
231.02869	19.3
232.24806	1.2
233.04376	5.9
235.05913	1.4
237.05679	1.8
239.07179	1.2
243.02905	3.3
243.06679	1.5
245.04480	2.4
249.03883	8.8
255.06494	15.3
257.04407	2.4
259.06018	2.8
261.04068	8.3
269.08130	3.4
271.06064	5.7
273.07629	10.9
279.05182	1.9
281.04297	1.7
283.06009	13.3
287.05460	2.0
295.06012	2.1
297.07697	8.6
299.05453	5.5
301.07104	24.0
307.05771	1.5
311.05478	9.3
315.05020	1.9
317.06592	24.3
321.07474	1.3
325.07120	16.4
329.06561	28.0
339.08655	4.1
347.07605	22.9
349.06998	2.0
353.06555	6.5
367.08212	8.8
371.07645	27.0
383.07648	17.4
385.09033	1.6
395.07663	10.5
401.08752	2.5
413.08878	10.9
431.09848	8.1
449.10510	1.4
467.20944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.07080	6.9
58.06594	1.8
61.34830	0.3
65.03945	2.5
67.05492	0.6
69.07061	0.5
70.06596	16.2
70.27025	0.8
71.08636	2.9
72.08153	0.5
74.06119	0.4
77.48557	0.4
79.05483	0.5
79.08878	0.5
84.08137	0.8
85.10160	0.9
88.07638	20.1
95.08610	0.4
96.77681	0.3
96.88789	0.3
97.06550	1.5
98.60816	0.3
102.09188	14.5
107.50549	0.4
109.70318	0.4
121.02904	0.8
132.10217	0.5
139.03929	0.6
146.11777	0.4
147.11638	0.4
149.02356	55.9
149.03432	3.6
150.32381	0.3
193.04976	58.5
212.23730	0.9
237.07587	62.5
250.49887	0.4
256.26373	44.0
293.67905	0.4
300.29077	1.7
466.31668	100.0
467.31845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38073	2.4
55.05505	2.4
57.07083	100.0
59.05009	29.3
69.07079	3.8
71.08640	81.9
71.52774	2.4
73.02927	38.9
74.58326	1.9
83.08623	2.9
83.45198	2.1
85.10191	67.6
87.04470	2.1
89.06023	5.6
95.08643	2.3
97.10135	2.9
99.11743	13.0
101.09652	2.9
103.07637	3.7
113.13261	4.8
117.09142	8.7
133.08623	2.5
155.18008	12.1
198.94250	2.4
199.20522	3.7
213.22177	15.3
219.12238	2.7
257.24744	3.3
271.26331	8.1
473.42535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.03446	5.5
57.07080	99.7
59.05007	85.5
61.78582	1.3
67.05510	1.9
69.07064	2.3
69.65334	5.4
71.08638	100.0
80.54668	1.1
80.69617	1.0
81.07044	2.2
83.08620	3.9
85.10188	99.1
89.06039	1.9
95.62198	1.3
97.10186	3.6
99.11748	10.7
101.09681	5.5
103.07567	1.9
109.10152	2.2
111.11713	1.8
115.07586	1.3
117.09143	34.2
121.26991	1.2
141.16374	11.2
143.50398	1.1
155.18013	1.4
157.12296	1.1
158.11879	1.7
175.13310	5.3
180.00092	1.2
193.14394	1.3
199.20592	25.4
213.22234	1.8
233.17513	1.9
240.23253	2.8
257.24789	29.5
263.38113	1.1
271.26428	2.5
315.29144	1.5
449.38635	7.0
466.35858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43256	1.3
55.05504	2.1
57.03436	3.5
57.07083	100.0
59.05008	56.0
67.05505	2.3
69.07077	2.4
71.08640	78.5
71.12589	2.4
72.28689	1.2
83.08614	2.3
85.10194	65.2
89.06050	2.3
91.19585	1.1
93.96191	1.1
97.10189	2.8
99.00385	1.2
99.11739	14.3
101.06040	1.3
101.09676	3.6
103.07587	5.8
109.10208	1.6
111.11700	1.6
113.13282	4.0
115.07561	2.1
117.09150	20.5
155.17937	10.4
161.11739	4.1
177.54497	1.3
179.12854	1.9
213.22154	17.4
219.15976	2.8
237.16997	1.3
254.24818	1.5
271.26349	20.4
354.66589	1.4
395.24829	1.3
449.38464	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	466.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.79391	0.7
55.01862	3.1
55.05508	1.0
57.03444	1.0
59.33984	0.7
63.27946	0.7
67.05491	2.4
69.03416	1.3
69.07066	8.2
70.03990	3.1
71.84949	0.9
79.05502	11.2
81.07074	2.1
82.79937	0.7
83.04977	1.3
85.87156	0.7
91.05481	0.9
95.04982	1.8
97.06538	100.0
98.06873	1.0
98.21408	1.0
115.07565	2.7
131.04959	1.0
141.07071	1.1
147.04340	1.0
153.07048	1.0
155.08614	1.5
165.07005	1.8
167.08643	1.2
169.10110	0.9
171.08124	1.8
173.05989	1.2
173.09616	1.2
175.07489	1.0
177.05452	2.7
178.07664	0.8
179.08559	1.9
181.06442	1.0
183.08061	2.4
185.09714	1.4
187.03905	0.7
187.07497	2.0
188.08342	1.1
189.09102	0.8
193.05008	1.2
195.08084	2.9
197.05882	1.0
197.09630	3.3
199.07529	2.7
199.11229	1.7
200.08279	1.2
201.09119	10.0
203.03499	1.1
204.09651	0.7
207.08061	2.0
209.09631	2.6
210.06859	1.0
211.07585	3.1
213.09137	2.0
215.10710	2.3
219.10161	1.8
221.09546	1.5
223.07515	1.9
225.09137	9.8
227.07031	2.3
227.10715	1.6
229.08569	2.2
235.07529	1.6
237.09076	1.4
239.07158	1.3
239.10524	0.9
241.08601	2.9
241.12184	2.3
243.10202	2.6
245.08089	2.1
245.11752	1.6
251.10701	1.7
253.08623	5.1
253.12103	1.3
255.06636	1.0
255.10162	1.9
255.13805	2.8
263.10785	1.1
266.76871	0.9
267.10193	2.1
267.13715	1.3
269.08075	2.9
271.09671	9.4
273.11255	1.9
277.12332	1.6
279.13684	2.0
281.08026	2.3
283.13315	2.0
285.11191	1.3
285.14825	1.1
289.10651	9.4
293.15366	1.4
295.13303	1.7
297.14908	12.4
299.09137	2.8
299.12552	1.7
305.15494	0.9
307.13388	1.2
311.16324	6.7
313.14236	1.5
315.08420	1.3
315.71414	0.8
317.10245	4.5
321.14822	8.1
323.12888	4.1
323.16132	1.3
325.14404	5.2
335.11230	2.9
339.15988	9.2
341.13986	4.2
341.17279	3.6
349.14371	3.4
351.15930	1.8
353.13751	2.2
367.15430	29.9
371.14920	1.8
377.13879	4.1
385.16449	21.9
395.15039	9.0
403.17566	4.7
413.15942	16.1
431.17056	26.5
466.11142	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01873	1.2
55.05508	1.0
56.63824	0.3
57.03443	3.1
57.07081	1.8
59.05004	0.4
61.02934	2.7
63.26409	0.4
65.03945	0.5
66.04731	0.3
67.05512	3.5
69.03086	0.5
69.03436	6.7
69.07076	2.4
70.52679	0.6
70.53017	0.3
71.01354	0.7
71.04998	0.6
73.02927	11.5
79.05502	8.1
80.25372	0.2
81.03441	1.5
81.07064	100.0
82.07409	0.5
83.89246	0.3
85.02913	17.4
87.04486	1.0
91.03960	0.9
93.07052	0.4
95.04962	0.3
95.08616	16.3
97.02905	12.9
97.06539	1.7
99.04480	1.0
103.03960	0.7
107.08599	0.4
109.02890	1.6
109.10163	1.3
111.04509	0.3
114.26493	0.3
115.03942	5.5
127.03937	6.8
127.04832	0.5
133.04979	9.7
137.13269	23.3
145.04971	9.7
150.07671	0.4
154.15942	0.5
162.99187	0.3
163.06030	5.1
193.05087	0.3
199.06096	0.6
217.07243	0.4
223.06020	2.0
241.07051	2.6
259.08130	4.1
277.09299	1.3
295.10260	3.1
367.15616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01871	1.1
55.05508	2.0
56.86962	0.8
57.03434	3.4
57.07076	1.0
57.07822	0.9
57.90598	0.7
61.02919	3.5
67.05501	5.4
69.03439	8.4
69.07059	2.6
70.08028	0.8
70.17870	0.9
70.18219	2.8
71.04990	1.4
73.02914	2.2
79.05499	5.5
81.03417	3.4
81.06592	1.5
81.07066	27.9
82.07391	1.6
83.04964	1.2
83.08633	1.4
85.02915	23.4
85.06541	1.2
87.04469	3.0
91.03981	1.3
91.05459	4.6
93.07060	4.3
94.07355	1.0
95.04971	0.8
95.08600	9.1
97.02898	8.8
97.06533	13.1
97.10159	1.1
99.04462	1.5
105.07004	2.4
106.07405	1.1
107.04989	5.5
107.08605	2.4
109.02890	2.6
109.06527	1.1
109.10168	3.0
115.03937	3.3
115.07553	1.0
119.04946	2.7
119.08592	3.5
120.08883	1.3
121.06476	1.6
121.10156	1.6
123.11732	2.7
124.03963	0.8
124.12042	1.7
127.03944	4.9
131.08560	1.0
133.04961	4.3
133.10117	1.3
135.04439	11.6
135.11700	1.6
137.05969	1.9
137.09607	0.9
137.13257	10.6
145.04961	5.3
147.04411	5.7
147.11705	4.5
148.05191	0.9
148.12022	3.5
149.05977	2.2
149.13368	1.2
150.03137	4.3
153.05473	1.6
153.06998	1.3
157.05168	0.8
157.06479	1.2
159.11810	1.1
162.03194	4.6
163.03928	25.2
163.06006	1.1
165.05510	7.8
165.12772	2.1
166.13118	1.2
171.08043	1.0
177.05487	54.9
178.06270	3.1
180.08777	2.1
181.06529	2.9
185.06149	1.0
191.78412	0.9
193.04984	10.2
199.07558	2.7
201.09167	1.6
209.05989	2.1
213.09053	1.0
215.17970	1.9
225.09244	1.2
227.06955	5.8
233.19025	2.5
237.05492	2.5
241.08757	1.3
241.12245	1.1
251.20032	2.7
253.12186	2.0
255.06511	7.3
257.04538	1.2
259.09756	13.2
267.16043	1.7
268.16205	3.5
269.08215	2.2
269.18008	1.4
269.21109	7.6
272.06772	2.7
277.09030	0.9
277.12134	1.1
285.17050	4.6
286.17334	10.5
287.09167	100.0
287.22137	2.1
288.09570	1.4
295.10254	1.8
299.09106	1.1
304.05176	1.4
311.16388	1.5
323.12753	1.9
339.15884	1.3
341.13977	0.9
351.12363	0.9
366.34192	0.9
367.15421	3.2
385.16306	2.9
387.14566	1.3
395.14862	2.3
413.15875	1.5
431.17090	2.3
466.13327	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	465.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13587	1.1
53.03940	1.8
55.01887	6.7
55.05516	21.0
57.03443	9.5
57.07082	12.3
67.05507	11.2
68.16251	1.2
69.07073	24.9
71.08640	6.8
71.51885	1.2
71.52339	1.8
71.52707	1.1
73.02914	4.7
76.70670	1.2
79.05504	5.0
81.07062	10.5
83.04996	1.7
83.08630	18.0
85.02960	1.1
85.10175	3.2
87.29666	1.1
89.06039	2.7
91.05485	1.7
93.07056	5.9
95.08609	7.5
95.72031	1.1
97.06565	3.0
97.10180	13.9
98.98476	60.0
107.08614	5.3
108.50191	1.1
109.10180	3.1
111.08070	2.3
111.11740	3.8
114.58331	1.1
121.07410	1.0
121.10149	4.9
129.05492	2.4
133.08607	1.6
135.11713	3.6
137.00053	3.1
137.13226	1.1
138.26952	1.0
155.01050	49.8
211.03674	1.8
219.21056	1.8
229.04834	3.2
237.22171	9.1
303.05029	4.2
311.25830	100.0
312.26019	1.1
318.35968	1.3
447.25079	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01870	1.7
55.05528	5.0
55.05746	1.1
57.03448	5.3
61.02915	2.6
67.05186	1.1
67.05517	13.0
69.03423	2.9
69.07079	10.1
70.17741	2.2
70.18084	0.9
71.04990	2.4
72.19715	0.7
73.02931	1.7
79.05145	0.8
79.05508	8.9
81.03425	1.9
81.07070	45.9
83.04996	4.7
83.08626	5.7
85.02915	4.5
85.06556	2.7
91.03971	0.9
91.05494	12.3
93.07058	9.4
95.04967	2.4
95.08620	10.5
97.02929	3.6
97.06553	6.8
97.10155	1.3
98.21470	0.7
99.08109	3.1
101.06014	0.8
105.07050	17.8
107.04979	1.6
107.08614	8.7
108.08945	1.2
109.02895	2.8
109.06543	2.5
109.10149	2.8
113.06058	1.2
119.04972	1.3
119.08601	15.8
120.51570	0.7
121.10161	11.7
121.96048	0.7
123.04449	1.2
123.08100	2.4
123.11729	16.6
127.03940	2.7
127.07585	1.7
129.06990	1.4
130.04070	0.9
131.08575	2.2
133.10126	2.7
135.11719	2.2
137.06013	1.3
137.13272	1.9
141.09152	0.8
143.08609	0.8
145.05003	1.1
145.10152	1.9
147.11719	42.3
149.09637	0.9
149.13261	0.8
151.07591	1.8
157.10104	2.1
161.13275	0.9
162.05545	1.5
163.03929	2.1
165.12784	20.5
175.11189	2.6
177.05492	4.9
181.10112	0.8
183.12186	0.7
183.13863	2.5
193.08672	1.3
193.12325	2.5
199.14812	1.8
211.14920	1.0
216.07599	1.5
217.08362	1.4
227.06964	0.9
229.04980	1.1
229.14206	5.6
255.59225	0.8
257.04507	3.5
259.09802	2.0
267.15961	32.9
268.16257	0.8
285.17014	100.0
286.04645	3.9
286.17453	0.8
287.05145	2.8
287.09143	6.0
288.05441	4.0
301.07108	3.3
302.07419	2.9
303.04770	6.4
303.08075	4.9
357.52960	0.7
421.14761	4.7
429.92477	0.9
447.10455	1.1
447.22269	3.3
465.13455	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	465.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13476	0.5
55.05464	0.8
55.64386	0.6
57.03397	0.6
67.57497	0.4
69.03355	2.1
70.74074	1.2
71.04937	0.5
81.03344	0.7
81.06995	1.1
82.06507	0.6
85.02825	2.2
94.06490	0.6
95.04891	0.5
97.02830	1.2
109.02832	0.5
120.08012	0.8
122.05896	0.6
127.03776	0.5
132.08067	0.8
134.06012	0.8
136.07556	0.8
140.06953	0.7
145.04906	0.6
146.05988	0.6
148.07481	1.6
152.07042	0.7
153.01768	0.8
155.14294	0.6
162.05481	0.6
164.07036	0.5
168.06505	0.8
171.07927	0.9
172.05011	1.1
172.08713	6.6
173.09395	0.6
175.08640	1.0
176.07072	0.6
177.05414	0.5
178.08514	0.6
186.10272	1.4
187.07396	4.8
194.08134	0.8
198.06659	1.5
199.07341	4.5
200.08148	1.7
201.05428	0.6
201.10284	1.1
204.06456	0.6
213.10233	1.3
214.09724	0.8
215.11778	1.5
216.07658	8.6
216.10019	2.5
225.10153	1.0
226.08586	0.6
227.11778	1.7
229.04941	1.3
229.07205	0.7
229.09541	0.6
239.11758	0.6
241.09682	1.0
242.10477	1.3
243.08801	100.0
244.09563	55.0
245.10185	1.1
255.11392	3.2
257.10373	4.8
257.12857	1.1
259.10736	0.7
269.12897	1.4
273.12497	1.2
275.14050	1.0
281.12936	0.8
285.03815	0.6
286.04794	0.8
287.05289	0.9
287.13928	2.3
288.05237	0.7
297.12424	1.5
299.13931	3.7
301.07126	1.4
301.11911	0.8
302.07437	0.8
302.12949	0.7
303.04953	15.3
303.13293	1.1
315.13382	8.6
316.14252	5.2
317.15289	0.6
343.13040	1.2
355.16812	1.1
360.13779	0.6
375.15530	3.2
377.14685	1.3
378.15369	70.4
379.16129	31.0
383.16150	1.1
393.14496	0.9
399.15512	4.2
411.15659	2.9
429.16748	8.4
430.12866	0.9
447.17950	20.3
465.18857	28.5
466.19229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05519	0.9
60.91044	0.7
61.02931	1.2
65.02299	0.6
67.05527	0.9
69.03442	2.2
69.07070	1.7
69.75217	1.2
69.75611	3.1
70.06594	1.1
73.02933	0.9
76.47714	0.6
77.44397	0.6
81.07073	1.3
85.02917	3.2
91.05496	0.8
94.06573	1.3
95.08614	0.9
97.02933	1.9
97.06542	1.2
98.21487	1.3
107.04961	1.0
108.08134	0.9
109.10209	0.7
110.06054	0.7
120.08129	1.6
123.15746	0.7
134.06047	2.4
136.07632	1.3
137.56238	0.7
140.07112	1.5
141.56305	0.8
146.06071	1.2
148.07597	4.0
152.07079	1.6
153.01842	0.8
160.07640	1.9
162.05492	2.3
163.03868	1.0
168.06593	1.8
170.09723	0.7
170.11812	0.7
171.13850	1.7
172.07602	1.3
174.05638	0.8
174.07884	2.0
175.08827	1.0
176.07137	1.5
178.08621	1.6
179.11836	2.3
186.09354	0.7
188.07126	1.0
190.08549	0.8
194.08176	2.6
197.12900	8.4
198.09235	1.6
199.08711	1.9
200.09438	1.6
201.10205	4.1
202.08704	1.5
212.10855	1.3
213.10202	3.2
213.20724	0.8
214.08688	2.4
214.11078	2.3
215.08368	0.9
215.11864	3.6
215.13811	1.1
216.06613	1.0
217.33170	0.7
225.10237	1.3
226.10776	0.9
227.08153	1.9
227.11729	4.8
229.09738	2.8
229.13559	0.9
233.09369	0.9
239.11798	1.7
241.09773	3.2
241.13438	1.5
242.08342	0.8
242.10481	1.4
243.09082	0.8
243.11264	3.3
250.10773	0.9
253.13432	1.2
255.11343	7.9
257.04782	0.8
257.12915	3.3
267.11371	1.1
269.09384	1.0
269.12894	3.7
270.13531	0.9
271.16626	2.7
273.12289	1.8
274.13123	1.0
275.13821	1.2
281.12952	3.1
283.10944	1.5
285.12405	2.0
287.10687	1.5
287.13986	5.2
288.14450	0.7
289.17636	3.6
295.14471	0.8
297.12311	5.5
298.13315	1.3
299.13907	10.7
301.07257	0.9
301.11829	2.2
302.12585	1.4
303.05014	20.3
303.08377	1.7
303.12592	7.5
311.14044	0.9
311.97714	0.7
315.13434	23.0
316.14191	14.1
317.15118	2.5
323.13910	1.2
325.11850	1.5
327.13721	1.2
337.15604	1.2
339.13651	0.9
343.12903	4.2
345.14343	1.0
351.13599	0.7
355.16571	2.7
357.14536	1.3
365.14941	1.2
369.14291	0.9
373.13855	1.0
375.15546	10.6
383.16220	3.1
387.15723	2.0
393.14569	3.4
399.15417	8.7
401.17078	2.3
403.14948	0.8
411.15558	9.3
419.18555	1.1
429.16629	23.5
447.17679	52.9
448.18030	1.6
465.18658	100.0
466.19263	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01863	3.0
55.05494	1.4
57.03432	9.7
60.99830	0.9
61.02936	7.6
65.03948	1.2
67.05487	2.8
68.99790	2.1
69.03428	8.3
69.07086	1.2
69.19859	0.9
70.02950	1.5
70.06586	1.9
71.04978	4.0
71.05410	0.8
71.51278	1.4
73.02910	3.6
75.04487	1.1
79.05491	2.4
81.03419	4.3
81.07040	3.0
83.04971	2.3
85.02908	33.6
86.09698	2.7
87.04465	5.0
89.10503	0.9
91.03954	4.2
91.05479	2.3
92.69195	1.1
93.03381	1.2
93.07033	5.2
95.04955	4.7
95.08601	2.0
97.02898	11.2
97.06521	1.4
99.04426	3.0
103.03929	1.7
103.05453	1.3
105.03383	1.2
105.07021	2.6
107.04919	1.5
107.08604	6.0
109.02906	5.1
109.10130	1.2
111.00802	1.5
111.04407	2.9
115.03929	9.7
117.03374	2.6
119.04888	2.1
119.08580	1.4
120.08086	2.2
121.02879	14.0
121.06480	1.4
121.10106	1.7
123.04415	4.2
123.08056	1.1
124.03952	2.2
125.02324	2.3
126.05541	8.3
127.03926	4.9
127.05863	3.0
129.05493	1.4
130.06529	10.8
133.04970	10.6
133.10104	1.6
135.04417	2.4
135.08038	1.9
135.11690	4.0
136.07516	1.4
137.02328	3.6
137.05984	2.5
145.02856	6.2
145.04932	2.4
145.10178	1.4
147.04427	1.9
149.02319	3.0
149.06021	1.2
151.03865	1.7
151.07512	1.2
153.01828	9.7
153.12813	1.3
157.07588	3.4
157.10097	1.6
161.02364	1.2
161.05983	1.1
163.03918	6.3
164.07074	1.3
165.01848	31.7
167.06985	1.5
171.02971	1.8
172.07573	4.0
173.02403	1.1
177.01869	10.6
177.05432	9.1
179.03300	1.4
183.02892	10.0
187.03981	1.2
189.01822	4.9
189.09140	1.1
191.03397	19.4
195.02895	68.3
199.08672	10.2
199.14848	1.9
203.03404	3.2
205.04968	2.1
207.02867	2.0
209.04401	1.5
215.03358	2.1
215.07106	1.0
217.01279	1.7
219.02888	30.5
229.04999	5.6
231.02882	22.0
233.04408	2.5
237.03966	2.1
241.09714	4.3
243.02969	5.0
249.03896	8.3
257.04425	3.9
261.03934	16.7
267.19547	2.4
277.53574	1.2
279.05002	6.5
285.04031	2.1
285.12183	1.7
286.04691	2.7
287.04962	2.4
288.05392	4.7
297.06058	4.9
301.06998	3.7
302.07376	5.8
303.04947	100.0
303.07855	9.5
303.13031	8.6
303.16550	1.7
304.05237	1.5
315.05161	0.9
315.08588	20.8
327.08640	10.0
332.87985	1.0
345.09714	11.2
345.13745	2.1
369.05225	1.8
369.09674	22.4
381.09790	11.9
393.09775	3.9
399.10568	1.4
411.10809	7.9
429.11951	10.6
447.12991	2.1
465.19110	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	465.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37779	0.4
68.99783	0.8
69.98033	1.0
69.98421	0.8
84.06068	0.4
85.02864	0.4
91.05480	0.7
95.04965	3.3
95.08539	0.5
97.06526	0.8
99.00787	1.5
107.04922	0.8
112.01540	1.1
117.07079	0.4
121.02864	3.9
123.04435	13.4
127.00253	1.6
131.04919	0.6
140.00981	0.7
144.05652	1.0
145.06476	0.5
147.04390	1.1
154.99757	0.4
165.05516	3.0
165.06834	0.7
168.00548	11.7
169.01331	7.0
171.04370	1.5
177.01842	0.7
181.06439	1.7
183.01373	0.5
183.02904	6.7
186.01598	4.3
190.55933	0.4
194.02092	0.5
194.07306	5.3
195.02866	1.3
195.08083	2.3
197.05989	2.4
205.06512	3.4
206.07281	0.8
209.06038	1.1
210.06786	7.4
221.06001	6.2
222.06764	30.0
223.07530	5.0
232.08875	0.5
235.07495	0.9
236.04553	0.5
237.05400	0.5
241.04977	0.5
247.07704	0.7
248.04736	1.4
249.05505	3.1
250.06416	0.6
259.07651	0.5
263.07022	1.1
265.08487	0.7
269.04474	0.9
270.06778	0.5
274.06467	0.6
275.06763	0.5
283.06039	1.3
284.06705	0.8
285.03897	1.2
286.04736	8.4
288.07733	2.0
294.05121	0.8
297.03793	1.0
301.07068	16.1
302.07486	0.5
303.04929	0.7
303.08243	0.6
309.03961	5.0
310.04630	1.5
311.05466	3.1
312.03015	0.4
312.06281	11.8
314.04187	0.6
316.07236	1.6
317.07886	0.5
325.03439	0.7
327.08658	38.6
328.08832	0.5
329.06522	2.6
331.06244	0.4
333.07794	0.8
335.09464	0.5
337.03552	1.4
338.04218	4.1
343.06052	0.8
344.06757	4.0
345.07510	1.9
347.05429	0.5
348.06332	0.5
353.06558	10.5
355.06082	2.9
359.09308	0.4
361.07101	4.5
362.07925	3.6
363.08801	0.6
369.07761	0.8
372.06320	8.4
373.07147	4.1
377.10138	2.0
387.08621	15.7
389.06619	5.3
390.07367	27.5
391.07803	0.5
405.09711	100.0
406.10065	1.9
414.07162	0.6
432.08392	3.2
447.10779	96.0
448.10898	2.1
465.11981	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	465.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	0.5
69.07057	0.5
69.88418	0.7
69.88798	0.9
78.91456	0.4
79.05484	0.7
80.23882	0.3
81.07061	0.7
82.64169	0.3
85.05852	0.3
91.05504	0.4
95.04988	0.6
95.08607	0.4
97.06522	2.6
98.06949	0.4
98.21554	0.3
105.07001	0.4
107.04964	19.2
112.01576	0.4
119.04954	0.6
121.02882	1.2
123.04443	0.6
123.22181	0.3
131.04988	0.7
153.01807	0.4
168.00566	4.1
169.01357	7.7
171.04425	1.2
179.03409	0.3
181.06512	1.0
183.02910	6.6
186.01599	1.2
194.02141	1.1
195.02960	0.4
195.08156	0.6
207.08121	1.2
208.08849	0.4
210.06796	0.9
217.06544	0.5
218.07251	1.9
219.08130	1.0
221.05992	0.7
223.07542	8.6
224.08321	3.4
233.06090	0.5
234.06764	0.9
235.07533	4.0
236.08348	3.3
237.09128	1.0
263.07037	1.1
265.04922	0.6
269.04501	1.6
270.05298	1.2
282.05179	1.0
284.03165	1.5
285.07684	0.4
286.04651	0.8
297.04037	1.1
297.07288	0.7
298.04724	3.9
299.05515	0.9
300.06580	0.3
303.04926	0.5
309.03992	0.9
310.04730	7.1
311.05386	2.5
312.06308	1.0
313.06989	5.0
325.07053	3.8
326.04309	1.2
341.06567	8.3
349.07425	0.4
357.07465	0.9
358.08435	0.5
359.09232	0.8
361.06998	0.4
367.05878	0.4
369.07565	1.4
375.08557	1.6
385.07297	1.9
385.16147	0.5
386.07904	2.0
387.08612	2.1
389.06375	0.6
401.09952	0.5
403.08145	5.5
404.08951	8.8
419.11288	100.0
420.11642	2.0
447.11050	0.5
465.11899	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	465.1186
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
51.02373	0.6
53.03952	2.5
54.42298	0.4
63.31049	0.4
65.03934	0.8
66.55910	0.4
67.05508	1.0
69.71582	1.0
69.71996	1.3
77.03907	0.4
79.05524	0.5
80.72515	0.4
81.07046	0.7
90.68858	0.4
91.05489	14.4
93.07057	1.5
95.04971	33.5
95.08588	0.4
97.06540	2.0
103.05470	4.6
105.04524	1.5
107.04962	3.8
109.06533	1.5
119.04950	39.4
121.06510	2.5
123.04435	61.0
137.05975	1.1
140.01152	0.4
147.04420	18.5
159.04398	0.6
165.05489	11.8
168.00529	2.9
169.01352	0.9
184.05219	0.4
186.01643	1.0
197.06015	0.9
212.04785	0.6
225.05473	0.4
226.06163	1.1
229.04964	1.6
240.04179	0.8
242.03154	0.4
243.06427	0.4
254.05702	2.9
255.06555	0.5
256.03720	1.9
257.04453	5.7
258.05127	2.0
269.04532	0.7
271.06012	1.4
273.07629	0.9
281.04584	0.8
282.05267	3.2
284.03180	4.2
285.03955	5.7
286.04730	36.7
287.04987	0.7
298.05035	0.5
299.05475	4.4
300.06305	3.9
301.07083	46.2
302.07373	0.8
303.07779	0.6
309.04037	0.6
310.04718	5.3
313.07104	0.7
325.07111	4.4
385.17102	0.4
403.08224	1.0
404.08759	1.8
413.16034	0.5
419.11264	8.6
465.11819	100.0
466.12137	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65789	0.2
57.03432	0.3
58.24331	0.3
61.02929	6.1
65.03952	0.2
67.01855	0.2
68.99792	0.5
69.03437	1.4
71.04967	0.5
71.05312	0.2
73.02916	2.0
81.03410	0.8
85.02909	6.6
91.03960	3.1
93.03397	0.3
97.02904	3.6
97.26839	0.3
98.21113	0.4
99.04439	0.3
109.02864	0.4
111.00806	1.2
115.03937	0.4
121.02863	1.0
127.03910	1.0
135.04370	0.3
135.08026	0.9
136.08406	0.5
137.02342	3.5
137.03342	0.3
145.04953	1.1
149.02368	0.5
153.01833	4.1
161.05920	0.3
163.03922	0.5
165.00546	0.3
165.01830	2.0
170.36240	0.2
173.05971	0.5
182.47739	0.2
183.02887	0.7
183.04355	0.4
187.03915	0.5
191.03377	0.2
195.02870	0.5
201.05508	1.8
207.02861	0.4
219.06592	0.3
229.04979	4.1
229.07050	0.4
247.06038	1.0
257.04477	2.3
274.04745	0.8
285.04016	1.4
303.05002	100.0
304.05356	1.0
315.04968	1.1
345.06027	0.7
369.06030	0.9
381.06213	0.2
447.09384	0.3
465.10077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92686	0.2
51.22313	0.2
55.01863	0.4
57.03427	0.5
61.02934	7.1
68.99797	0.6
69.03436	1.1
70.82259	0.5
71.01346	0.2
71.04985	0.2
73.02919	1.8
75.60461	0.2
81.03407	0.5
85.02913	6.3
91.03967	3.1
93.03393	0.3
95.04944	0.3
97.02898	3.4
109.02875	0.6
111.00795	0.8
115.03931	0.5
121.02859	1.2
123.04416	0.2
127.03935	1.2
135.04456	0.2
137.02354	3.2
137.05992	0.3
145.04959	0.7
149.02382	0.3
153.01828	4.5
155.04916	0.3
161.06035	0.3
163.03918	0.8
165.01836	2.5
166.02557	0.2
173.05997	0.5
177.01871	0.3
177.05473	0.2
183.02913	1.0
183.04391	0.3
187.03905	0.5
191.03455	0.2
193.30284	0.2
195.02892	1.0
199.08585	0.2
199.14804	0.2
201.05499	2.1
207.02838	0.2
213.05449	0.2
215.03487	0.2
219.02829	0.5
219.06558	0.3
223.23706	0.2
228.04156	0.2
229.04959	5.0
247.06068	0.8
257.04480	2.4
273.72815	0.2
274.04697	1.0
275.05527	0.4
285.03970	1.6
286.04782	0.2
294.49619	0.2
303.05005	100.0
304.05334	1.3
345.05884	0.2
369.09695	0.3
381.09610	0.2
455.05759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	0.2
57.03432	0.5
61.02932	6.6
62.83558	0.1
65.03954	0.2
66.05239	0.1
68.20764	0.1
68.99789	0.6
69.03443	1.4
69.61613	0.9
71.04977	0.2
73.02915	1.6
81.03408	0.6
85.02908	5.5
91.03424	0.2
91.03961	3.4
93.03416	0.3
95.04964	0.3
97.02898	3.3
98.20857	0.3
99.04434	0.3
101.02379	0.2
109.02867	0.7
111.00829	1.0
111.04446	0.2
115.03954	0.3
121.02871	1.0
123.04391	0.2
127.03922	1.0
131.13383	0.2
135.04446	0.2
137.02348	4.4
145.04950	0.6
149.02318	0.5
153.00571	0.3
153.01826	5.4
155.04868	0.3
159.04420	0.2
161.05997	0.3
163.03949	0.9
165.01848	2.3
166.02605	0.3
173.05971	0.3
177.01720	0.2
179.03426	0.2
183.02879	0.7
183.04485	0.4
187.03906	0.5
191.03339	0.2
195.02928	0.2
201.05507	2.1
205.04915	0.3
207.02951	0.2
219.06544	0.4
228.04120	0.3
229.04984	5.0
239.03523	0.3
247.06064	0.7
248.59167	0.2
257.04462	3.1
267.34055	0.2
269.38321	0.2
274.04730	0.7
275.05380	0.2
285.03955	1.5
303.05002	100.0
304.05231	0.8
315.04904	1.8
327.05115	0.3
329.06555	0.2
341.06613	0.3
345.06012	1.5
355.08359	0.2
369.06079	1.1
399.06973	0.2
411.07019	0.2
413.00891	0.2
429.07706	0.4
432.32794	0.2
447.09106	0.5
465.10342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01885	2.9
57.03441	6.6
59.05011	0.8
61.02929	6.3
65.03922	0.7
67.45561	0.5
67.97750	0.5
68.75906	0.6
69.03088	1.1
69.03436	14.7
69.07088	0.7
70.06605	3.2
71.01355	1.7
71.05008	0.9
71.51701	0.8
73.02924	26.9
79.05501	3.5
81.03432	2.9
81.07056	0.9
82.48574	0.5
83.05003	0.6
85.02914	25.1
86.09726	0.7
87.04469	3.0
91.03966	2.2
91.05468	2.8
93.07047	1.2
95.04968	1.6
95.08640	0.6
97.02901	23.4
99.04448	1.7
103.03955	1.2
103.05494	1.4
105.07041	10.3
107.04958	1.6
107.08596	0.9
109.02873	2.7
109.06509	0.6
109.10211	0.7
114.05514	0.5
115.03173	1.0
115.03936	12.6
116.07125	1.3
119.04942	0.8
119.08592	1.0
120.05723	1.5
120.08083	0.9
121.06490	1.5
121.10183	0.6
123.04420	1.3
123.08157	0.6
125.09718	0.6
126.05516	1.5
127.03924	8.6
129.06963	0.5
133.04980	14.4
133.06474	0.7
135.08066	66.2
137.02341	1.5
137.05989	3.4
138.05472	0.7
138.06755	1.8
145.04974	10.1
147.04408	1.9
147.08009	1.4
148.05199	10.6
149.09633	2.8
150.07631	3.0
151.03900	1.1
151.07549	0.9
153.01762	1.2
153.09117	17.9
159.08104	1.0
161.09544	0.8
163.06059	3.8
163.07458	1.3
165.09126	3.6
168.00587	0.8
173.09641	1.2
177.09114	7.7
181.08609	100.0
182.08937	1.5
185.09735	0.8
189.09109	1.7
193.05035	0.9
195.10123	1.1
201.09093	2.0
203.10664	0.8
205.08557	0.7
219.10199	1.4
223.06021	1.4
229.05006	1.5
231.10162	4.5
241.07138	2.4
243.10136	0.6
249.11232	11.7
249.15015	0.8
257.04361	0.7
259.08170	4.0
261.11243	3.4
267.12155	0.8
275.54022	0.6
277.09186	1.0
279.12360	2.4
285.03885	0.7
286.04657	8.9
287.05093	15.4
295.10248	1.2
301.07053	11.6
302.07416	33.5
303.05002	25.3
303.07782	0.8
318.06451	0.7
424.96283	0.6
464.15494	1.2
464.21805	1.6
465.23080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3787
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.19466	3.2
55.05515	16.8
57.07080	40.5
67.05495	9.8
69.07077	34.7
71.08641	25.1
71.22439	5.9
79.05465	4.1
80.98856	3.3
81.07058	27.8
83.08625	23.0
85.10178	13.9
91.05466	3.4
91.37760	2.7
93.07044	9.6
95.08603	18.0
97.06518	3.4
97.10154	17.0
97.86363	3.3
105.07027	10.0
105.75233	2.9
107.08585	8.1
109.06511	10.9
109.10148	12.9
111.08162	3.0
111.11729	6.8
119.08581	8.0
123.08057	13.2
125.06020	24.1
127.07549	33.7
131.08542	4.8
135.08075	4.4
135.11726	3.3
137.05972	9.3
137.09653	3.8
139.07555	100.0
145.10121	6.3
147.11635	3.9
149.06032	4.0
151.07536	11.7
161.13266	3.4
167.07028	3.1
171.11745	3.2
175.14767	4.1
177.09093	13.4
191.10587	3.3
301.06970	3.4
301.28857	5.6
313.19247	3.0
319.29877	8.6
347.32938	8.2
373.30801	8.1
399.36032	4.7
403.35556	4.0
417.37445	19.7
427.35876	6.0
445.36771	65.1
463.31775	4.8
463.37924	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01872	1.1
57.03438	2.6
59.05005	0.5
61.02938	2.0
69.03089	0.6
69.03442	8.4
69.52931	2.0
70.06596	1.1
70.10258	0.3
71.01365	0.4
71.05013	0.4
73.02932	5.1
78.04708	0.3
79.05501	1.1
81.03428	1.8
85.02919	12.3
86.09713	0.8
87.04474	3.7
91.03950	0.4
91.05473	1.3
93.07048	0.4
95.04949	0.4
95.08611	0.4
97.02903	9.4
97.06544	0.3
99.04457	0.5
105.07049	3.1
107.04964	1.0
107.08613	0.5
108.05766	0.5
109.02857	0.7
109.06548	0.6
115.03174	0.7
115.03944	10.2
116.07117	1.0
119.04980	0.3
120.05715	0.6
123.04479	0.9
126.05544	4.6
127.03947	2.8
129.07072	0.4
133.04019	0.7
133.04984	9.9
135.08072	28.2
136.05258	0.5
137.02351	0.5
137.05980	2.1
138.05519	0.4
138.06779	1.1
145.05011	3.8
147.04451	0.8
148.05203	9.5
149.09627	1.5
150.06606	0.4
150.07635	1.9
151.03896	0.8
153.09131	4.6
163.06013	1.2
163.07516	0.4
165.09126	1.2
168.00494	0.7
171.08037	0.4
173.09682	0.5
175.18750	0.3
177.09132	4.6
181.08620	100.0
182.08948	0.8
195.10179	1.0
201.09091	0.6
203.10648	0.6
219.10254	1.7
223.06024	0.4
229.05048	0.4
231.10138	1.5
241.07146	0.9
249.11255	3.6
259.08261	1.0
261.11316	1.2
267.12277	0.6
267.16022	1.0
279.12439	0.6
285.04074	0.4
286.04715	3.2
287.05090	7.8
295.10352	0.5
301.07111	7.0
302.07443	16.1
303.05029	8.9
464.21219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3422
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
53.82678	1.4
55.05523	17.2
57.07078	4.4
60.39262	1.2
67.05518	9.1
67.58698	1.3
69.07079	26.3
70.82047	2.9
70.82410	2.5
71.08674	2.1
79.05491	6.7
79.75254	1.5
81.07066	10.8
82.52418	1.3
83.08627	10.3
85.10218	1.6
90.70864	1.3
91.05497	7.2
93.07079	5.8
95.01346	1.6
95.04964	2.5
95.08636	5.4
97.10188	6.6
99.00832	10.4
99.04489	4.1
104.64423	1.4
105.07084	5.6
107.08612	3.7
109.06583	1.8
109.10210	2.4
113.02415	2.8
117.07079	2.5
119.08622	3.9
121.10211	3.7
131.08638	4.9
133.10179	3.5
135.11810	2.2
143.08597	1.4
145.10191	2.7
153.05518	3.4
157.05231	1.5
159.11792	1.8
163.07603	2.6
169.87427	1.4
171.11792	2.2
175.07613	2.9
177.05530	2.5
177.09111	1.6
181.04973	15.3
183.06633	3.7
189.09215	4.7
191.07135	3.1
192.18321	1.5
195.06567	39.5
195.08220	2.6
206.75525	1.5
209.08118	20.7
221.07834	1.8
223.09665	21.6
237.11267	21.2
249.11391	5.6
251.12836	11.3
263.12881	2.2
265.14545	5.3
279.16092	2.9
285.04126	2.3
286.04752	31.6
286.07681	2.3
287.05627	4.8
293.17590	3.7
301.07101	54.9
302.07565	1.9
307.19235	4.3
319.19028	2.2
321.20874	1.6
353.24857	2.0
371.25830	4.1
377.26849	2.2
389.26901	3.7
445.33423	96.8
446.33740	2.2
462.53925	1.5
463.34509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03742	0.5
53.03969	2.3
55.01863	4.3
55.05514	9.6
57.03447	0.7
57.07082	18.9
65.01462	0.5
67.05511	4.0
68.99813	0.7
69.03449	1.0
69.07073	19.6
69.81033	1.9
69.81450	1.2
71.08632	14.4
71.08996	0.8
77.03922	1.2
78.63712	0.6
79.05498	7.2
81.03446	2.1
81.07066	7.4
83.01369	0.7
83.05018	1.1
83.08630	12.4
85.10188	6.6
88.14760	0.5
89.06042	0.6
91.05486	3.1
93.03471	0.6
93.07076	2.9
95.04973	3.8
95.08616	5.8
97.02900	6.2
97.06564	0.7
97.10186	9.7
98.20808	0.6
99.04452	3.2
99.11760	1.6
105.03384	4.9
105.04530	0.7
105.07040	3.8
107.04967	10.4
107.08614	2.5
109.02892	9.4
109.06538	2.7
109.10178	3.4
111.04462	2.5
111.11738	6.6
113.06005	0.8
115.03972	1.7
119.04950	0.6
119.08622	2.3
121.02879	2.0
121.06545	2.0
121.10164	1.3
123.04417	4.2
123.08079	0.9
123.11763	1.5
125.02364	19.6
125.06000	3.6
125.13300	1.8
131.08603	1.9
133.02859	6.5
133.06502	0.9
133.10149	2.3
135.04431	16.9
135.08012	1.4
135.11728	0.9
137.05951	4.2
137.09592	1.1
139.03978	1.0
141.05470	1.1
141.16461	0.6
143.08549	0.7
145.10147	1.7
147.04428	1.3
147.08011	1.3
147.11671	1.4
149.02394	1.6
149.05936	0.9
149.09624	1.6
151.03920	19.6
151.07561	2.3
153.05457	6.0
157.10178	0.7
159.08139	0.9
159.11713	1.5
161.02359	12.9
161.03607	1.1
161.06021	1.1
161.09610	1.3
161.13254	0.7
163.07549	1.9
163.11279	0.7
165.05524	2.3
165.09143	1.1
167.03404	2.7
167.07094	1.2
169.04973	1.8
171.11800	0.7
173.09666	1.1
175.07574	2.2
175.11241	1.8
175.14682	0.6
177.09113	1.3
179.01846	1.2
179.03403	19.8
179.07008	2.5
179.10641	0.6
181.04959	0.9
183.06567	0.7
185.04442	5.4
189.09203	1.3
191.10655	1.6
193.04987	1.2
193.08626	1.6
193.12256	1.0
197.04471	100.0
203.10658	1.4
205.12325	1.1
207.06514	1.2
207.10027	0.9
211.06018	6.1
217.12347	0.8
221.08073	1.2
221.11743	0.8
225.07590	3.8
235.09666	0.8
235.13232	0.7
238.07071	2.4
239.09134	5.0
249.11127	0.8
253.10703	4.7
267.12323	6.2
275.97043	0.7
277.14258	0.8
281.13876	3.9
295.15469	3.2
295.18176	0.6
301.07147	0.8
309.16995	4.1
313.87228	0.6
323.18579	4.4
323.56686	0.7
337.20029	4.8
351.21591	4.6
365.23077	2.2
379.24783	3.3
393.26157	2.4
402.40146	0.6
403.35837	7.9
407.28244	3.1
417.33350	1.4
431.35284	3.8
445.32428	0.8
463.33911	34.2
464.34219	0.9
465.59521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01881	3.8
55.05281	0.6
55.05516	10.4
57.07082	15.2
59.42324	0.6
65.03930	0.9
67.02365	0.6
67.05521	3.5
69.03433	0.9
69.07074	19.6
69.75619	3.5
71.08635	12.3
71.63210	0.6
77.03924	0.9
79.05508	5.3
81.03414	2.0
81.07057	6.2
83.04980	1.7
83.08146	1.0
83.08626	12.8
85.10187	7.0
91.05470	2.3
93.07038	2.1
95.04965	2.0
95.08604	5.6
97.02922	4.6
97.06494	0.8
97.10180	7.6
98.21530	0.7
99.04439	0.8
99.11710	0.9
105.03391	4.6
105.07018	2.8
107.04961	8.3
107.08575	2.0
109.02891	9.6
109.06509	1.7
109.10139	2.4
111.04441	1.3
111.11745	5.0
115.03925	1.5
117.07018	0.9
119.08566	1.1
121.02837	2.3
121.06488	1.5
121.10116	0.8
123.04386	3.7
123.08129	0.8
123.11729	1.1
125.02361	17.8
125.03286	1.1
125.05962	0.9
125.13262	1.1
129.06950	0.8
131.08553	1.9
132.90735	0.6
133.02872	5.8
133.06520	0.8
133.10124	1.8
135.04424	16.7
135.08028	0.9
137.02315	0.8
137.05981	3.4
137.09583	0.6
139.03906	1.4
139.07501	1.1
141.05412	0.7
141.16418	0.8
143.08543	1.0
145.10112	1.9
147.04382	1.9
147.08015	1.9
149.02277	1.0
149.05980	1.1
149.09572	0.9
149.13269	0.8
151.03912	19.1
151.07527	1.6
153.05484	6.3
157.10132	0.8
159.11623	1.4
161.02361	11.4
161.05994	1.4
161.09612	1.9
163.07579	1.1
163.56311	0.6
165.05554	2.9
167.03491	3.0
167.04590	0.6
169.04988	1.9
171.11652	0.9
175.07605	1.5
175.11259	0.9
177.09106	1.5
177.12802	0.6
179.03410	20.1
179.07040	2.7
179.10677	0.6
181.05006	1.2
185.04468	6.8
185.09506	0.8
187.11290	0.8
189.09085	1.8
191.10687	0.6
193.05003	1.9
193.08629	1.0
197.04471	100.0
198.04752	0.7
199.06015	0.7
199.11226	0.7
203.10692	1.2
205.12282	1.4
207.06555	1.1
207.10124	1.6
211.05988	5.7
217.08669	0.7
221.08081	1.5
225.07536	3.0
235.09694	1.2
237.15930	0.6
238.07076	1.9
239.09216	5.6
249.11018	0.7
253.10725	7.2
260.20755	0.6
267.12256	5.7
281.13785	3.1
295.15451	4.3
301.07040	1.6
309.16858	3.9
323.18481	6.3
337.20157	4.6
351.21780	3.7
356.32883	0.8
365.23260	3.0
379.24622	3.3
393.26404	3.3
407.27939	3.0
417.33508	2.0
427.31998	0.9
445.32507	0.9
445.37683	0.8
463.34204	34.1
483.60971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
53.03962	0.4
55.01862	0.7
55.05494	0.4
57.03439	0.5
59.04991	0.8
61.02929	0.3
62.72553	0.3
65.19801	0.3
67.05501	1.4
68.99770	0.7
69.03419	0.8
69.07066	2.2
70.15428	0.7
71.04986	0.3
79.05498	2.7
81.03417	1.1
81.07055	2.0
83.04965	0.6
85.02883	1.0
89.06040	0.5
91.05499	2.3
93.07038	1.2
95.04953	0.8
95.08607	1.4
97.02877	0.6
97.06541	11.9
103.05463	1.3
105.07038	1.9
107.04972	4.1
107.08582	1.1
109.02846	0.4
109.06507	0.7
109.10182	0.6
118.04143	0.7
119.04946	2.1
119.08603	0.5
120.05710	0.5
121.02869	0.6
121.06519	0.9
121.10145	0.8
123.04420	1.8
123.08061	0.6
123.11711	0.4
125.05930	0.3
128.06299	0.3
129.07025	0.4
131.04967	0.4
133.06456	0.8
133.10149	0.7
135.04433	4.5
135.08080	4.0
137.02376	0.5
137.05957	0.9
139.07524	1.4
140.01105	0.3
141.05362	0.3
145.06494	0.3
145.10126	0.5
147.04417	8.6
148.05196	1.1
149.05965	0.5
151.07558	4.3
153.05527	0.5
153.06944	0.4
155.07050	0.5
155.08502	0.3
157.10075	0.4
159.11679	0.3
161.06003	0.8
163.03915	20.4
163.07549	7.0
167.07053	1.0
167.08498	0.6
168.00557	2.9
169.01343	0.4
169.10173	0.3
173.13268	0.4
177.05540	1.0
179.07059	2.9
181.06546	0.4
184.05199	0.4
185.05978	0.5
185.09576	0.4
186.01608	2.0
187.07671	0.4
188.08395	0.3
189.05534	0.6
191.07053	1.0
191.10594	0.5
192.04166	0.6
192.07765	2.0
195.08083	0.4
197.09537	0.4
199.07588	0.4
201.09116	1.5
203.10756	0.5
207.06555	9.9
207.08429	0.6
209.09663	0.4
212.04761	0.4
213.09132	0.7
225.09091	0.8
227.07040	0.6
227.10542	0.4
229.04878	0.7
231.03014	0.3
240.04242	0.8
241.04984	0.6
241.08652	1.3
241.12245	0.5
243.10146	0.3
253.08643	0.8
255.06548	0.9
255.10141	0.4
257.04553	0.5
258.05319	1.5
268.03809	0.4
269.07999	0.9
269.11517	0.4
271.06058	2.0
271.09659	1.1
273.11237	4.1
281.08005	0.4
283.09637	0.6
285.03940	6.0
286.04749	56.8
287.05167	0.7
297.14838	1.2
299.09265	0.4
299.16470	0.4
301.07095	100.0
301.10712	47.3
302.07651	1.4
302.10818	0.5
311.12762	0.3
317.10397	0.4
329.13852	0.5
351.16116	0.3
367.15414	1.2
369.17035	0.8
387.14151	0.6
395.14777	0.5
397.16321	0.4
401.16330	0.3
413.15860	0.6
415.17487	0.8
431.17215	0.7
436.30588	0.3
463.15891	1.1
463.26727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
57.03420	0.9
60.98904	0.4
70.83971	0.8
74.14734	0.3
81.03428	0.6
85.02897	1.4
97.02936	0.5
101.73811	0.3
116.15927	0.4
137.01369	0.7
137.02351	8.7
141.07007	0.8
147.04388	0.9
150.03130	1.4
157.06485	1.6
169.06514	1.0
175.03929	0.5
185.05962	1.0
187.03952	1.1
188.04688	0.6
189.05486	2.2
191.03366	0.6
194.18730	0.3
196.05150	0.5
197.05989	3.7
199.03935	0.4
212.04729	1.0
213.05478	13.9
215.03397	0.8
217.04939	0.5
225.05406	1.5
227.07045	1.7
239.07306	0.4
240.04262	0.6
241.04965	13.3
245.08115	1.4
255.06522	2.7
268.03641	1.7
269.04477	13.7
283.06073	1.9
286.04709	4.4
301.07080	100.0
302.07404	1.8
397.77905	0.4
451.79141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
51.21803	0.2
57.03425	0.8
61.02914	0.3
64.55033	0.2
68.99792	0.4
69.03411	0.7
69.07069	0.3
70.06590	0.3
73.09656	0.2
81.03410	0.6
83.04964	0.3
85.02906	1.7
86.68008	0.2
91.05452	0.2
97.02901	0.6
112.20745	0.3
118.04117	0.3
127.03934	0.4
137.02341	5.7
137.05937	0.3
141.06984	0.6
147.04407	0.4
150.03119	0.4
157.06517	1.0
168.00520	1.2
169.06471	0.5
175.03918	0.6
185.05939	0.7
187.03867	0.7
188.04678	0.4
189.05428	1.2
191.03433	0.7
192.04170	0.2
194.02153	0.4
197.05997	2.6
199.03845	0.4
211.07559	0.4
212.04695	0.7
213.05473	8.4
215.03430	0.7
224.04712	0.3
225.05528	1.0
227.07045	1.0
240.04208	0.8
241.04962	8.3
245.08139	0.8
255.06480	1.8
258.05292	0.8
268.03677	1.0
269.04465	9.0
283.06107	1.2
285.03952	2.1
286.04730	20.2
287.04929	0.3
301.07077	100.0
302.07343	1.5
392.26587	0.3
445.16309	0.3
463.16183	0.6
463.22369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.05510	0.2
55.37471	0.2
67.05495	0.2
69.03443	0.5
69.07075	0.4
75.09836	0.1
79.05468	0.2
81.03421	0.2
81.07065	0.5
83.08620	0.3
85.02903	0.9
85.06539	0.2
93.07070	0.3
95.08635	0.9
96.08949	0.5
97.02903	0.5
97.10159	0.2
99.08104	0.5
100.08422	0.2
105.01866	0.3
105.07032	0.3
107.08611	1.1
108.08949	0.5
109.02894	0.2
109.10175	0.3
121.10133	1.5
122.10513	0.6
125.09636	0.2
127.03873	0.3
133.10123	0.2
135.11737	0.3
136.12015	0.2
137.13281	0.2
139.07733	0.1
153.01825	0.4
168.00568	0.7
177.16432	2.8
178.16772	1.7
179.17120	0.9
195.17450	0.5
196.17859	0.4
197.18051	0.2
213.18530	0.6
214.18811	0.5
215.19051	0.3
229.04996	0.3
240.04425	0.2
257.04657	0.2
258.05264	11.6
272.18497	0.2
277.31326	0.2
285.03806	1.1
286.04742	39.5
287.05176	0.6
301.07086	100.0
302.07492	1.2
349.30264	0.2
463.12268	1.2
469.44714	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	463.1242
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
55.01873	0.4
55.05515	0.7
57.03417	0.3
57.04598	0.3
57.52716	0.2
59.04998	0.8
59.19921	0.2
65.03953	0.3
67.05505	1.9
69.03438	0.9
69.07078	2.2
70.84578	0.6
71.05010	0.3
79.05521	1.9
80.12854	0.3
81.03456	0.6
81.07063	2.2
82.31223	0.2
83.04998	0.8
83.08625	0.5
85.02917	0.9
87.04488	0.3
89.06031	0.8
90.06393	0.3
91.05492	1.1
93.07054	1.2
93.35815	0.2
95.04983	0.6
95.08620	1.9
97.02924	0.5
97.06540	10.0
97.10145	0.5
103.03958	0.5
105.07027	0.8
107.05029	0.2
107.08606	0.7
109.06462	0.3
109.10184	0.8
117.07039	0.5
118.04186	0.4
119.08633	0.5
121.02882	0.5
121.06563	0.3
121.10167	0.7
123.11713	0.4
127.03913	0.3
129.06969	0.3
133.08665	0.7
133.10100	0.7
135.11691	0.7
137.05991	0.3
140.01071	0.3
143.08598	0.4
145.06497	0.3
145.10057	0.6
147.08159	0.3
151.07544	0.4
155.08578	0.6
157.06552	0.3
157.10104	0.3
159.08076	0.4
161.05928	0.3
165.06989	0.5
165.09151	0.3
168.00568	2.8
169.01361	0.5
173.05991	0.5
173.09727	0.4
174.96725	0.3
176.56909	0.3
179.08601	0.3
181.10081	0.3
186.01643	1.7
187.07568	0.5
187.11339	0.3
191.10664	0.3
197.09465	0.4
199.07336	0.3
199.11275	0.3
201.09108	2.6
203.10732	0.7
207.08116	0.3
209.09656	0.6
211.07574	0.5
212.04709	0.4
213.05415	0.5
213.09186	0.3
217.08711	0.3
219.13829	0.3
223.11185	0.4
225.09187	1.3
227.07088	0.7
229.05002	0.5
237.09175	0.6
237.12787	0.4
240.04164	0.4
241.04909	0.6
241.08641	0.4
251.10786	0.3
253.08653	0.8
255.06587	0.7
255.10048	0.3
255.92380	0.3
257.04489	0.3
258.05273	1.6
268.03784	0.6
269.08282	0.5
271.09766	1.0
279.13840	0.4
281.15302	0.4
283.09753	0.3
285.03964	4.9
286.04739	53.6
287.05206	1.1
297.14856	0.8
299.09106	0.3
299.16019	0.3
301.07086	100.0
302.07529	1.5
309.15088	0.4
315.15936	0.3
325.17715	0.4
341.13837	0.4
341.17459	0.3
349.14081	0.3
351.12143	0.3
351.16022	0.6
367.15317	1.1
369.16922	0.7
379.14984	0.4
383.14978	0.5
387.14233	0.6
395.14771	0.8
397.16513	0.6
413.15906	0.7
415.17703	1.3
417.19870	0.3
429.15277	0.4
431.17114	0.5
463.13199	0.4
463.19577	1.0
463.27286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
51.57507	0.2
53.03959	0.2
55.01868	0.3
55.05500	0.3
57.03421	0.4
57.08002	0.2
60.03959	0.2
61.02924	0.4
67.05502	0.3
67.67371	0.2
68.84456	0.2
68.99802	0.5
69.03439	1.6
69.07061	0.3
70.56980	0.2
70.57336	0.5
73.02922	0.2
79.05481	0.2
81.03426	0.8
81.07040	0.6
85.02913	3.1
87.04470	0.2
91.05478	0.2
93.07082	0.2
95.04958	0.3
95.08606	0.3
97.02911	1.2
97.06541	0.9
105.03394	0.7
107.04929	0.7
107.08605	0.3
109.02933	0.3
111.04417	0.3
115.05429	0.3
119.04930	0.2
119.08553	0.2
121.10150	0.2
123.04401	0.4
127.03913	0.6
131.74124	0.2
135.04451	0.4
137.02299	0.3
137.06049	0.2
145.04958	0.3
147.04361	0.3
147.07983	0.2
149.02338	0.2
160.05095	0.2
161.02348	1.8
161.05940	0.5
163.03885	1.1
164.04800	0.2
165.05426	0.2
167.03419	7.4
168.00578	0.5
171.04419	0.6
175.03874	0.6
175.07527	0.9
179.03506	0.3
185.04477	0.2
185.05975	0.4
186.01604	0.3
188.04684	0.4
202.06232	0.2
203.07036	3.4
213.05531	0.4
215.14386	0.2
216.04272	0.6
217.08562	0.6
227.07048	0.7
229.05038	0.2
230.05653	0.2
231.06532	12.2
232.12369	0.2
233.08069	0.2
240.04143	0.6
245.08109	2.8
255.06543	0.8
258.05402	0.4
259.06073	1.4
263.99399	0.2
268.03671	0.2
273.07617	1.6
283.05972	0.7
285.03897	1.2
286.04730	13.1
287.05206	0.2
301.07077	100.0
302.07434	1.1
325.10608	0.2
343.08081	0.5
463.12814	0.2
485.37021	0.2
485.79068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1241
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
67.01682	0.2
68.99827	0.2
69.85106	0.2
70.29039	0.8
85.02923	0.5
86.14436	0.2
92.00424	0.3
118.04187	0.5
140.01056	0.4
156.87921	0.3
168.00586	3.7
184.05247	0.3
186.01610	1.0
212.04828	0.4
229.05028	0.4
232.04314	0.3
240.04257	0.5
241.04912	0.4
255.06648	0.5
257.04532	0.3
258.05371	1.9
264.67874	0.2
268.03610	0.5
273.07645	0.2
285.03989	5.5
286.04770	53.0
287.05078	1.0
301.07114	100.0
302.07339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
53.03954	0.9
55.01877	0.7
57.03445	2.3
61.02920	1.8
68.99795	0.4
69.03437	7.8
69.03819	0.4
69.57339	0.3
69.57729	1.8
71.01368	0.4
71.05004	0.6
72.79994	0.3
73.02935	1.1
81.03420	2.7
85.02912	20.3
87.04474	0.9
91.03981	0.7
95.97293	0.2
97.02899	4.9
98.20730	0.3
99.04463	1.0
101.02396	0.3
103.03984	0.5
109.02892	1.7
115.03909	0.4
118.04195	0.6
127.03926	3.8
140.01096	0.4
145.04958	1.5
168.00533	3.5
169.01317	0.4
186.01613	1.0
212.04752	0.4
213.69365	0.3
229.04889	0.4
240.04138	0.8
241.05063	0.4
255.06578	0.7
257.04471	0.5
258.05267	1.8
268.03598	0.4
270.05423	0.3
271.05994	1.0
273.07510	0.3
283.05951	0.3
285.03983	6.0
286.04742	48.9
287.05075	0.9
299.05560	2.3
301.07086	100.0
302.07510	1.4
310.04691	0.8
325.07065	1.2
343.08224	3.8
348.50751	0.4
367.07986	0.5
463.12228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03944	0.3
55.01879	0.3
55.05505	0.3
57.03434	0.3
61.02908	0.4
65.03941	0.1
67.05507	0.3
68.99796	0.5
69.03439	1.8
69.07064	0.2
69.88112	0.6
71.04993	0.2
73.02927	0.2
79.05492	0.3
81.03426	0.9
81.07083	0.7
82.09632	0.1
83.05000	0.2
85.02440	0.2
85.02916	3.5
87.04462	0.2
91.03924	0.2
91.05476	0.3
93.07039	0.4
95.04990	0.2
95.08611	0.5
97.00183	0.1
97.02890	1.1
97.06554	0.8
98.21471	0.2
99.04475	0.2
105.03381	0.4
105.07024	0.3
107.04966	0.6
107.08579	0.4
109.02874	0.4
109.10164	0.3
111.04450	0.3
119.04987	0.1
121.02905	0.2
121.10155	0.2
123.04449	0.4
123.11717	0.3
127.03920	0.8
130.71321	0.2
131.04970	0.1
133.10141	0.2
135.04419	0.3
135.11661	0.2
137.02393	0.2
137.05942	0.3
139.03882	0.2
141.05447	0.1
145.04951	0.2
147.04413	0.4
147.08006	0.4
151.03844	0.3
151.07513	0.3
161.02362	2.1
161.05988	0.6
163.03909	1.2
164.04639	0.1
167.03416	7.6
168.00539	0.7
171.04414	0.5
175.03917	0.7
175.07567	0.9
179.03596	0.2
185.05937	0.4
186.01634	0.2
188.04744	0.2
202.06255	0.2
203.07047	3.5
203.10307	0.2
205.05081	0.2
212.04643	0.2
213.05383	0.2
215.07060	0.2
216.04196	0.8
217.08618	0.8
219.06480	0.2
227.07071	0.7
229.04994	0.2
230.05818	0.3
231.06548	12.1
233.08089	0.3
240.04251	0.7
240.40692	0.2
244.03732	0.2
245.08133	2.9
255.06526	0.8
257.04520	0.2
258.05249	0.6
259.06039	1.5
268.03622	0.4
273.07513	1.2
283.06128	1.1
283.08920	0.2
285.03888	1.3
286.04749	14.4
287.05200	0.3
301.07083	100.0
302.07376	1.4
317.06464	0.1
325.07132	0.2
340.45114	0.2
343.08075	0.3
388.14294	0.1
426.08627	0.1
445.07159	0.2
463.11859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
68.99800	0.4
70.40179	0.3
85.02909	0.5
97.02896	0.2
109.98154	0.1
118.04123	0.8
119.04914	0.2
121.02847	0.2
127.03867	0.1
140.01088	0.4
145.59999	0.1
152.17386	0.1
159.04414	0.2
164.01138	0.1
168.00554	4.2
168.02013	0.2
169.01295	0.5
184.05142	0.2
186.01588	1.2
194.50903	0.1
212.04630	0.4
213.05484	0.1
229.04918	0.4
240.04173	0.8
241.04970	0.6
255.06564	0.6
257.04456	0.4
258.05252	1.7
268.03732	0.6
269.04379	0.2
283.05923	0.2
285.03925	6.6
286.04721	60.2
287.05084	0.9
301.07062	100.0
302.07394	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28148	0.4
57.03442	0.5
60.53360	0.4
66.24389	0.4
69.03429	1.1
69.45558	1.0
69.45981	1.6
73.02915	0.5
85.02892	1.7
86.94067	0.4
87.04468	0.5
97.02892	1.8
100.33623	0.4
101.00868	2.1
111.02957	0.4
115.02376	0.5
119.01913	2.9
120.95434	0.9
127.03915	1.1
129.03973	1.3
131.01903	1.4
138.96460	1.3
143.01909	2.5
143.05550	1.2
145.03441	1.2
145.05011	0.6
147.05162	0.7
155.01883	1.6
156.97487	9.0
157.03482	0.8
161.02956	2.2
161.06586	1.5
167.01949	1.0
169.03462	0.6
171.01353	0.4
171.05026	0.9
173.02977	2.9
174.98560	5.2
180.97470	15.6
182.99046	0.9
185.02969	3.7
185.06633	0.9
187.00851	0.6
189.06090	0.6
192.97531	0.6
194.99066	0.5
197.02969	1.6
198.98546	100.0
199.98711	1.5
203.04016	1.6
204.07179	0.7
207.07152	0.7
210.98512	4.4
213.00096	1.7
215.03888	0.8
216.99606	25.8
222.00130	2.6
222.98489	1.7
225.00137	1.2
227.04034	0.9
228.99638	7.7
229.05504	0.5
231.07149	0.8
234.98546	4.2
239.03952	0.7
240.01309	0.5
240.99605	20.6
243.01282	0.7
245.05099	6.3
247.00708	1.0
252.99542	1.8
257.05194	2.9
259.00681	10.2
263.06125	1.0
264.99521	0.9
271.00662	0.9
275.06116	1.1
277.01721	1.7
282.02078	0.5
283.00690	11.6
285.04483	0.5
289.07776	0.5
292.01196	0.7
293.07388	0.5
301.01703	34.2
301.07346	1.0
301.51544	0.5
302.01840	0.9
305.07401	0.6
317.07245	2.3
319.02719	6.2
342.04395	1.1
343.02744	0.9
365.09103	0.4
373.03979	0.5
463.06857	10.6
463.12314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89097	0.7
55.05512	9.0
56.46583	1.0
57.07064	3.8
67.05505	14.1
69.07067	15.4
69.31985	4.3
69.32412	2.6
71.04653	0.9
71.05003	9.4
71.08628	1.8
79.05493	7.6
81.07059	35.5
83.04995	1.5
83.08621	11.5
85.06542	12.3
91.05489	4.1
93.07045	21.6
95.08611	69.4
96.08920	0.8
97.06555	4.4
97.10184	6.8
98.20812	1.7
99.04445	4.2
99.08069	1.3
101.06011	0.9
105.07031	15.1
107.08600	37.2
109.06522	1.6
109.10159	39.4
111.08069	4.1
111.11712	2.3
113.05988	0.8
113.09653	9.3
115.07561	2.0
117.07053	0.9
119.08586	24.5
121.10149	29.2
123.08045	2.3
123.11707	20.6
125.09636	1.9
127.07554	1.9
127.11208	1.1
129.09131	1.3
131.08549	3.5
133.10138	31.9
135.08060	1.9
135.11693	19.8
137.09651	2.2
137.13268	10.6
139.11200	1.3
144.70354	0.8
145.10133	8.9
147.11693	24.3
149.09599	2.2
149.13258	19.6
151.11163	4.4
151.14799	2.2
153.09094	2.5
155.10681	0.8
157.10170	1.0
159.11711	9.2
161.13260	16.1
163.11171	2.7
163.14822	13.9
165.12727	2.0
165.16396	1.5
167.10713	2.2
169.12270	1.1
171.11676	1.9
173.13266	6.1
175.14836	16.4
177.12749	1.7
177.16402	7.7
179.14330	1.5
181.12206	5.0
185.13315	1.3
187.14824	12.9
189.16388	21.0
191.14253	1.9
191.17940	6.7
193.15869	5.9
195.13759	4.9
199.14854	2.2
201.16391	7.9
203.17970	12.9
205.15807	3.7
205.19505	1.5
207.13702	1.0
207.17450	11.4
215.18019	4.2
217.19513	4.5
219.17413	4.9
221.18987	6.6
223.16954	4.6
225.18489	0.9
227.18027	1.6
229.19522	1.6
231.21150	2.6
233.19083	2.2
235.20525	1.6
237.18521	3.8
243.21094	1.4
245.22742	1.1
247.20673	0.7
249.18349	1.0
251.20120	2.1
255.21028	0.8
257.22610	2.3
259.20493	0.9
263.20221	1.9
271.20697	0.9
271.24292	2.2
275.23715	1.4
277.21716	1.0
289.25323	1.9
299.23727	0.9
301.25592	1.1
303.23318	0.9
313.25345	1.1
315.26996	0.9
323.54428	0.8
331.26251	1.3
335.35840	0.7
353.28418	0.9
375.32568	1.9
391.33548	3.0
399.36551	0.8
409.34650	39.8
423.14761	0.9
427.35718	66.9
428.35989	2.1
445.36807	100.0
446.37393	2.3
462.39487	30.8
463.37985	3.8
486.39267	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	463.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.32248	0.4
55.01862	0.5
55.05489	1.2
67.05498	2.3
68.24040	0.3
69.03419	0.7
69.07073	2.1
71.04977	0.4
71.52605	0.4
79.05477	1.6
80.35828	0.4
81.03407	0.8
81.07055	2.7
83.01319	0.4
83.04959	1.4
83.08635	0.9
85.02917	0.4
86.37757	0.4
89.06029	0.7
91.05470	1.7
91.61992	0.3
92.34106	0.3
93.07030	1.5
95.04944	0.9
95.08575	1.5
97.02848	0.7
97.06541	2.8
105.07001	0.9
107.04944	0.6
107.08560	1.5
109.02879	0.4
109.10140	1.0
111.04458	0.6
115.05482	0.4
117.07025	0.6
118.04161	1.9
119.04921	0.5
119.08572	0.9
121.02849	0.9
123.11696	0.7
129.07010	0.5
131.08531	0.4
133.10194	0.7
134.03723	0.4
135.11649	0.8
137.02277	0.4
140.01036	0.5
141.06969	0.7
143.08525	0.4
145.06467	1.0
147.04390	0.6
151.07565	0.6
157.06497	0.9
158.07310	0.6
163.03889	0.8
168.00574	2.3
168.05646	0.8
169.01257	0.4
171.04414	0.7
171.08017	0.6
173.06021	0.7
184.05182	0.6
185.06007	2.6
185.09621	0.9
186.01556	1.1
186.06717	1.2
197.05971	1.1
197.09648	0.5
199.07541	0.8
201.09155	1.9
203.10699	0.5
209.09697	0.4
209.11618	0.4
211.07394	0.5
212.04688	0.7
213.05534	2.7
214.06261	8.0
215.06993	0.7
223.07693	0.5
225.05365	0.7
225.09038	0.8
227.03447	0.5
227.07065	0.8
240.04279	0.5
241.04889	1.2
242.05667	1.4
243.06459	1.0
246.05409	0.5
252.04190	0.5
253.04878	0.5
253.36580	0.5
255.06387	0.8
257.04449	0.4
258.05261	1.4
269.04504	2.8
269.08035	0.8
270.02625	0.7
270.05258	7.4
271.06042	1.6
271.09305	0.3
279.13913	0.7
279.46893	0.4
285.03952	4.9
285.07208	0.8
286.04727	45.3
287.05423	0.8
295.06265	0.4
297.04016	1.9
297.07251	0.5
298.04730	42.4
299.05319	0.5
301.07077	76.9
302.07364	0.9
313.07065	100.0
314.07410	1.1
315.08688	0.7
341.14081	0.6
349.14325	0.8
387.14450	1.0
397.15915	0.4
413.15814	1.1
415.17383	0.9
417.20255	0.7
445.19073	0.5
462.29422	0.5
463.10260	18.8
463.20535	1.0
463.27032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51384	0.7
66.15487	0.7
69.03420	1.0
69.92411	3.9
81.03419	1.0
85.02908	4.3
87.04469	2.1
89.06040	83.9
97.02896	2.4
107.07079	1.0
112.73028	0.7
127.03914	1.4
133.08611	34.3
135.12283	0.7
162.54857	0.7
170.62401	0.8
177.11249	13.1
192.79599	0.6
195.12302	2.3
218.85890	0.8
221.13849	1.2
239.14914	1.6
243.60231	0.8
265.16415	0.9
283.17538	100.0
284.18018	0.8
286.04672	1.1
301.07156	2.1
310.08408	0.8
316.95172	0.8
391.92545	0.8
471.14233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.6
52.36526	1.3
53.03950	13.2
53.54649	1.2
55.01870	13.5
55.05515	22.4
57.03442	11.4
57.07060	3.9
59.05005	2.6
61.02914	5.9
67.05505	10.5
68.99771	4.6
69.03434	62.6
69.07072	46.1
69.20665	14.1
71.01360	2.4
71.05000	14.0
73.02924	12.8
79.05489	2.9
81.03426	68.8
81.07064	27.8
83.04994	14.4
83.08621	7.4
85.02913	100.0
85.06548	18.8
87.00839	42.1
87.04466	2.8
88.09410	1.4
91.03990	4.0
91.05481	3.5
93.07047	13.2
95.04987	1.8
95.08618	36.5
97.02905	32.0
97.06529	6.6
97.10190	11.9
99.04466	24.9
99.08094	30.2
105.01879	28.3
105.07034	3.5
107.08607	26.2
109.02888	61.7
109.06530	2.6
109.10161	19.4
111.04450	2.1
111.08070	5.1
111.11732	10.4
113.09655	11.2
115.03992	1.4
117.01852	6.1
119.08580	3.7
121.10159	27.9
123.11720	12.4
125.09610	10.6
127.03927	96.4
127.11183	2.4
129.01839	9.6
131.04933	3.8
133.10162	1.9
134.69254	1.4
135.11716	14.9
137.13268	17.9
139.11195	7.9
145.04970	34.6
145.10080	1.5
147.02898	7.0
149.13289	3.9
151.14844	4.5
151.16708	1.6
153.12750	18.0
159.02913	35.0
168.69438	1.3
175.14828	1.8
177.03842	2.1
177.16400	81.8
178.16687	1.3
181.05032	1.6
189.03963	2.9
195.17461	88.5
202.96364	1.4
213.03909	3.5
213.18510	85.4
214.18811	1.4
219.08347	1.7
231.05006	17.2
237.18500	3.5
239.06920	1.5
249.05956	2.1
249.63873	1.4
255.06575	1.5
284.06879	3.4
299.09174	28.3
303.19449	2.1
327.08414	2.0
353.10294	1.6
387.49857	1.3
425.21677	2.7
443.23016	2.1
461.17899	1.6
461.23770	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23706	2.4
55.05518	24.3
56.41649	2.2
57.07066	10.5
58.23675	2.5
60.22842	2.6
67.05508	31.4
69.03415	7.8
69.07073	35.7
69.25806	4.2
69.26215	18.9
70.70540	2.4
71.04990	14.8
71.08636	5.2
78.20889	2.2
78.26167	2.4
79.05491	14.0
79.16454	2.3
81.07063	66.6
83.04966	3.8
83.08620	22.3
85.06555	18.8
91.05478	9.9
93.07053	26.0
93.60830	2.4
95.08614	100.0
97.06529	8.5
97.10180	15.0
99.08086	10.6
105.07042	14.6
107.08603	36.6
109.10161	81.6
111.08061	7.4
111.11716	20.8
119.08582	15.1
119.28902	2.9
121.10146	39.0
123.08085	2.9
123.11712	33.9
125.09631	26.6
125.10483	3.8
131.08580	6.1
133.10115	12.7
135.11697	24.3
137.13255	21.9
139.07564	2.9
145.10063	4.5
147.11621	12.0
149.09586	2.7
149.13260	27.1
151.07532	3.7
151.11206	2.8
151.14833	12.1
153.12737	3.0
159.11684	6.3
161.13257	7.8
163.14787	15.6
165.16473	6.2
167.14299	10.5
173.13211	2.9
175.14734	4.6
177.09082	3.9
177.16393	25.8
179.17903	4.6
181.15794	3.2
187.14838	3.4
189.16379	7.9
191.17926	20.6
193.15816	7.1
193.19646	4.0
195.13809	5.0
195.17638	3.1
197.15392	8.3
201.16370	4.3
203.17870	14.6
205.19518	27.1
207.17484	2.8
215.18037	3.8
217.19656	4.3
218.02269	2.8
219.17537	3.2
219.21098	7.2
223.20528	3.0
231.21086	4.4
233.19066	3.6
235.20393	3.9
245.22591	3.2
251.20064	2.9
258.42642	3.1
261.22168	3.0
345.31424	5.2
347.33020	7.2
361.34647	4.7
364.31516	3.4
371.33047	27.8
389.34119	11.1
401.34375	4.5
443.39310	29.0
447.93765	2.8
448.99838	2.7
461.23035	24.8
461.35980	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	460.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.3
57.07074	8.4
62.38204	4.2
64.59763	3.8
65.85507	4.6
67.05495	15.1
69.07072	14.8
71.53281	7.2
79.05508	5.8
81.07067	35.3
83.08597	7.0
85.06554	30.0
89.06081	5.9
90.54852	4.2
91.05495	19.1
93.07055	26.3
95.08625	43.4
97.06562	6.3
97.10182	6.0
105.07040	27.5
107.08622	36.2
109.10172	41.7
111.08047	4.1
111.13587	3.8
119.08581	34.1
121.10162	27.3
123.11719	20.3
131.08588	12.8
133.10147	25.8
135.11705	19.1
137.09627	11.9
137.13263	7.6
145.10109	26.7
147.11707	19.3
149.13263	11.1
159.11725	17.6
161.13271	14.7
163.14738	5.5
171.11700	7.5
173.13322	16.9
175.14862	12.1
177.16531	4.4
179.14388	5.9
185.13451	5.1
187.14890	13.6
189.16373	10.9
191.18076	5.6
199.14738	4.7
201.16408	17.5
203.14330	5.6
203.17987	11.6
205.15965	11.1
215.17950	5.0
219.17375	7.2
229.19516	6.9
243.21124	6.7
255.21091	5.5
257.22528	5.8
312.00754	4.2
317.88620	4.3
389.31674	5.4
407.33026	56.5
425.34201	100.0
442.07397	5.4
443.35367	50.8
460.22360	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	461.1445
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.98360	0.1
67.05508	0.2
71.06009	0.3
79.05475	0.2
81.07039	0.4
83.04969	0.2
85.02892	0.2
91.05493	0.2
93.07006	0.2
95.08615	0.2
99.04423	0.2
107.08565	0.2
121.06474	0.2
132.05730	0.5
132.46696	0.1
133.06491	0.4
135.04475	0.2
137.05988	0.4
139.03842	0.2
145.10150	0.2
163.03900	0.4
166.02641	0.5
167.03404	0.3
168.05774	0.4
177.16376	0.2
182.07271	0.3
183.04446	0.2
183.08080	0.6
184.03706	1.6
196.05209	0.2
197.06038	0.5
210.06732	0.5
211.07561	1.5
213.05450	0.4
224.04701	0.3
225.05443	0.2
227.07156	0.8
228.07825	0.7
239.07063	2.6
241.04945	0.9
243.10187	3.6
251.12798	0.2
252.04163	0.2
252.13065	0.2
255.06537	0.4
256.07318	5.7
267.06570	0.5
269.04648	0.3
283.06033	2.0
284.03564	0.3
284.06808	14.4
299.09152	100.0
300.09531	1.4
366.63031	0.1
452.87573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	2.0
55.05509	4.5
57.07069	1.0
67.05526	2.0
69.03439	4.7
69.07081	9.3
70.45168	0.8
71.05007	1.5
73.02913	0.9
79.05519	2.2
81.03426	3.0
81.07072	10.7
83.08631	6.1
85.02919	10.8
85.06542	1.7
87.00848	5.6
91.05454	1.2
93.07067	9.0
95.08001	1.1
95.08623	22.8
95.09243	1.3
97.02920	4.7
97.10171	5.7
99.04439	2.2
99.08102	11.9
105.01871	7.9
105.07030	2.6
107.08613	25.1
109.02898	2.6
109.10159	5.6
111.08108	5.4
113.09639	1.4
117.48736	0.9
121.10159	39.3
123.06923	0.8
125.09633	7.0
127.03944	6.6
133.57700	0.9
135.11700	8.0
137.13277	5.1
145.04968	3.8
149.13246	3.7
152.70386	1.0
159.02840	1.1
177.16415	100.0
195.17476	22.6
195.19144	1.8
213.18524	28.3
341.51273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47667	0.4
55.01877	0.5
57.03462	0.5
67.05511	1.0
69.03438	1.8
70.55678	0.7
71.04990	0.3
79.05480	0.4
79.41704	0.3
81.03426	0.7
81.07052	0.6
85.02914	4.8
85.19431	0.4
87.04449	0.3
90.99440	0.3
91.04012	0.5
91.05456	0.5
93.07045	0.6
95.04958	0.6
95.08611	3.9
96.68665	0.3
96.93784	0.3
97.02892	1.5
97.06531	2.1
99.04449	0.6
105.07043	0.9
107.08629	0.5
109.02885	1.0
109.06558	0.6
111.04448	0.8
119.08584	0.7
121.06566	0.4
123.08077	60.2
123.33121	0.3
127.03938	0.8
131.08592	0.9
133.10170	1.0
135.08060	0.9
137.05951	0.7
139.07538	0.6
142.07887	0.5
145.04953	1.3
147.08057	1.0
155.08539	0.4
156.09306	0.6
157.10120	0.5
159.08032	1.3
159.11667	0.8
161.09665	0.7
165.09125	100.0
166.09479	0.8
167.07108	0.7
171.11687	0.8
175.11195	1.2
177.09077	0.5
184.00360	0.3
184.08897	0.4
185.09534	0.6
187.07536	0.3
187.11241	1.0
199.11131	2.2
201.12701	0.4
203.10645	1.6
205.08672	1.5
212.08176	0.6
215.10706	1.0
217.12210	0.6
227.10681	1.1
233.11707	2.6
245.11714	1.4
263.12799	26.1
281.13821	1.2
306.54132	0.4
312.85168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
59.05007	35.7
67.05507	1.6
69.07036	1.1
69.14727	3.5
69.15160	5.7
70.06584	1.3
72.08143	1.1
73.02930	1.0
73.06559	1.0
79.95268	0.9
81.03424	1.5
81.07071	2.1
85.02917	1.7
86.09688	1.3
86.17028	0.9
87.00819	0.9
87.04488	5.5
89.06039	100.0
91.05490	1.6
91.07572	1.0
93.07021	2.5
97.02905	1.5
97.85879	0.9
103.03898	0.8
103.07607	4.3
105.07043	2.1
107.08632	1.6
117.09138	2.6
118.31552	0.9
121.10160	0.9
127.03931	1.9
130.08626	0.9
131.07059	2.0
133.08612	60.3
135.11740	1.2
147.04475	1.4
147.10159	1.4
149.09573	1.0
161.11703	1.2
166.12350	1.2
175.14828	1.5
177.11241	22.0
181.04880	1.2
191.12772	1.1
195.12218	1.0
195.78903	1.0
212.12822	2.6
221.13823	3.5
239.14905	3.6
240.04573	1.0
283.17612	4.3
299.09103	1.8
327.08362	1.0
327.20163	37.6
329.36575	1.1
353.10318	1.5
355.65826	0.9
374.18213	1.0
379.07901	1.1
385.24344	9.0
443.28543	8.8
452.04309	1.0
460.28485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27921	2.7
53.03940	3.0
54.59443	2.8
55.01879	4.8
55.05510	11.5
57.03449	4.8
57.07097	2.9
57.30986	2.6
58.52560	2.7
65.03962	4.8
67.05505	22.0
68.99799	3.2
69.03424	11.5
69.07066	9.0
69.38370	15.5
69.38776	8.2
71.04998	11.8
79.05506	16.7
81.03440	6.0
81.07067	50.2
83.04984	22.0
83.08614	3.4
85.02921	14.9
85.06550	24.3
91.05507	14.6
93.03400	2.9
93.07040	29.9
95.04977	33.0
95.08610	11.6
96.08930	3.7
97.02884	4.4
97.06533	15.3
98.21429	7.1
99.04445	19.1
105.01789	3.1
105.07053	31.3
106.07350	5.0
107.04977	3.7
107.08606	25.6
109.02919	4.6
109.06519	32.9
109.10153	10.6
110.10468	3.9
111.04465	13.7
111.08088	12.1
117.07003	6.6
119.08591	26.7
120.08916	7.2
121.02840	2.8
121.06525	9.7
121.10148	32.5
122.10476	3.0
123.04424	7.8
123.08092	5.6
124.08399	2.9
125.06017	9.4
127.03925	6.2
127.07562	43.2
127.40520	3.1
129.05484	4.8
131.08578	18.2
133.06514	2.8
133.10138	17.3
134.10458	12.2
135.08096	3.4
135.11681	17.5
136.12016	4.7
137.05980	28.2
137.09625	8.1
138.10057	4.8
139.03885	6.2
139.07500	4.2
143.07068	6.0
143.08604	4.7
145.05006	3.4
145.10115	63.4
145.11160	5.3
147.08055	3.6
147.11722	5.5
149.09637	4.5
151.07487	7.3
153.05501	6.0
155.07047	5.4
155.08511	3.6
157.05135	3.5
159.08110	6.8
159.11685	21.1
161.09567	3.6
163.11179	43.7
167.07100	3.8
169.10129	8.4
173.09618	23.9
175.06123	4.6
175.14807	20.2
176.15186	25.2
177.12878	4.7
181.12219	9.6
187.11198	57.9
189.12817	3.4
191.10689	38.0
193.16005	5.8
194.16240	7.1
197.09637	3.8
198.12331	3.0
205.12231	49.2
209.11740	30.1
211.16887	16.9
212.17288	25.1
215.10701	44.1
223.13356	6.5
233.11765	56.6
251.12816	100.0
268.11267	3.1
269.13861	43.2
285.13370	3.5
301.12726	7.3
355.17172	4.0
407.17105	16.2
425.17825	16.2
442.32190	3.4
443.19180	76.4
460.09946	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	459.3839
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
55.05508	4.2
57.04427	1.2
57.07084	1.8
57.90564	1.1
59.05010	1.6
60.86205	1.2
67.05511	5.5
67.12676	1.1
69.03442	10.6
69.07071	8.2
71.04982	1.6
71.54322	2.1
79.05508	2.8
81.07059	10.7
83.04964	1.4
83.08617	3.9
85.06551	100.0
91.05503	2.4
93.07043	5.9
95.08625	20.0
95.09927	1.3
97.06561	2.0
97.10180	2.4
105.07043	6.1
107.08604	10.4
109.10163	18.0
111.08090	48.9
111.11720	2.7
119.08604	7.1
121.10162	10.8
123.08075	2.6
123.11714	7.4
125.09624	1.4
133.10139	5.6
135.11674	6.4
137.13280	3.3
145.10138	2.3
147.11674	7.6
149.12227	1.3
149.13263	7.8
151.11188	2.0
159.11789	3.0
161.13258	4.0
163.14870	3.9
167.10757	1.6
167.14359	2.2
173.13266	1.2
175.14862	1.9
177.16353	1.9
182.48936	1.5
189.16447	2.1
191.17975	4.1
201.16405	1.9
203.17996	8.8
205.19560	4.0
217.19611	4.1
219.21341	1.4
223.16946	1.5
235.16611	1.5
245.22728	1.9
323.47815	1.2
423.36499	1.3
441.37338	15.3
459.21664	9.1
459.38257	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01886	1.7
55.05502	0.7
57.03445	4.3
59.05007	33.8
59.71088	0.4
61.02934	4.0
67.05512	0.6
69.03438	7.8
69.07060	0.6
69.40550	3.6
70.06609	1.5
71.01367	1.0
71.04999	2.5
71.10220	0.4
72.08162	3.1
73.02923	21.0
79.99601	0.4
81.03420	2.9
81.07083	1.2
82.06607	0.4
83.05008	1.2
84.08163	0.8
85.02915	17.9
86.09726	1.8
87.04497	1.2
89.06038	12.7
89.39590	0.4
91.03995	0.6
91.05497	1.2
93.07071	1.6
94.07344	0.6
95.04972	0.8
95.08630	0.7
97.02906	11.1
97.06568	0.6
98.21531	0.9
99.04478	1.6
99.08115	0.7
100.07694	0.8
101.06030	0.6
103.03975	1.0
103.07579	3.6
105.01869	0.9
105.07055	1.1
107.07075	4.2
107.08610	1.4
108.08937	0.8
109.02887	2.9
109.06556	0.7
109.10178	0.7
111.04498	0.5
115.03922	4.1
117.05512	1.9
117.09145	6.5
119.04975	0.7
119.08599	1.5
120.08933	0.9
121.10139	1.2
124.03979	0.7
127.03929	6.6
133.04974	2.8
133.10155	1.6
134.10497	0.8
135.06532	1.8
136.03949	0.7
137.06036	0.5
140.07059	0.6
143.42447	0.5
145.04973	5.2
147.04414	3.6
147.10217	0.7
148.02171	61.9
149.09676	1.3
150.09996	0.8
154.08644	1.4
161.11790	1.4
165.09148	0.5
165.11220	3.5
166.03238	100.0
166.12196	0.6
167.03609	0.6
167.07024	0.7
168.06520	0.6
175.13297	3.2
175.14827	1.5
176.15179	2.1
177.05490	2.0
194.16310	1.0
223.15329	1.6
239.17523	0.8
247.08110	0.8
266.12701	0.5
281.19617	18.8
298.07379	0.7
328.08542	19.9
328.16843	0.6
374.18561	0.7
398.26349	1.6
416.19672	1.0
442.18423	0.8
451.14651	0.6
460.12384	1.1
460.18671	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	459.3471
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03944	1.1
55.05519	6.0
57.03423	1.0
57.07058	2.9
59.04991	1.4
67.05518	5.2
69.07078	9.5
71.04979	3.0
71.08636	2.0
71.51876	1.3
79.05495	5.2
81.03426	1.3
81.07059	16.6
83.08618	7.5
84.53272	1.0
85.06536	5.2
85.10190	2.1
89.06052	1.6
91.05486	5.5
93.07057	11.7
95.08611	19.0
97.06538	1.4
97.10168	5.0
99.04453	2.3
101.06033	0.9
105.07037	11.6
107.08606	15.8
109.06516	2.1
109.10159	17.2
111.04410	1.2
111.08080	1.2
111.11720	1.6
117.07037	2.9
119.08590	14.9
121.06484	1.3
121.10133	13.0
123.08101	2.3
123.11687	6.8
125.05983	1.7
127.03937	4.8
131.08563	4.1
133.10146	14.0
135.11711	8.4
137.06023	4.9
137.09612	2.4
137.13260	3.6
143.08537	3.4
143.10738	1.0
145.10164	7.9
147.08118	2.1
147.11693	10.6
149.09628	3.0
149.13255	8.9
151.11191	2.8
157.10155	2.8
159.11678	7.8
161.09645	2.9
161.13231	7.5
163.11214	1.6
163.14870	3.4
165.09001	1.0
167.10725	1.0
169.10207	1.0
171.11707	2.7
173.09698	1.3
173.13295	6.0
175.11157	2.5
175.14821	6.5
177.12791	4.1
177.16368	2.2
181.12169	1.5
183.11702	2.4
185.13281	3.7
187.14850	3.4
189.12721	1.5
189.16351	5.7
191.14392	1.9
193.15939	1.5
196.65474	1.2
197.13252	1.9
199.14845	3.1
201.12685	1.4
201.16367	3.5
203.10696	2.5
203.14299	6.6
203.17958	2.7
205.15862	2.4
211.14828	1.7
213.16479	2.5
217.15840	2.0
219.13905	2.1
219.17513	1.4
221.18918	1.1
227.17946	1.8
229.15952	1.2
231.17488	1.5
237.18459	1.0
253.19489	2.1
271.20581	3.6
285.22107	1.1
295.24002	1.2
353.24680	1.4
363.26620	1.1
381.27740	1.9
399.32596	1.4
405.31372	4.0
423.27466	1.7
423.32645	13.1
441.33612	27.6
459.34662	100.0
460.34427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.07088	0.8
59.05009	1.6
59.24152	0.5
61.30001	0.6
63.04720	0.6
65.79141	0.7
66.87788	0.6
67.05522	3.0
69.03436	13.5
69.07083	5.1
70.10466	1.6
71.04986	0.8
74.13222	0.6
74.45497	0.7
76.47470	0.5
78.83618	0.6
79.05505	1.6
81.07078	5.9
83.08633	1.4
85.06553	100.0
86.06912	0.6
89.06023	0.7
91.05499	1.7
93.07076	3.7
95.08617	8.9
97.06533	1.3
97.10197	0.9
105.07063	2.2
107.08598	7.0
109.10170	6.9
111.08092	64.7
111.11666	1.2
119.08627	2.7
121.10155	5.4
123.11684	3.7
125.09662	1.1
131.08635	1.2
133.10188	2.0
135.11696	3.1
137.13310	1.5
143.10696	1.7
145.10229	0.7
147.11761	2.4
147.12950	0.6
149.13286	4.9
159.11743	0.9
161.13332	1.5
161.16019	0.5
161.58423	0.5
163.14951	2.1
167.14392	1.3
173.13339	1.1
175.14948	1.1
177.16493	1.4
187.14943	0.7
191.18118	1.2
193.16272	0.6
193.61902	0.6
205.19540	4.4
217.19708	1.2
231.21233	1.0
317.28604	0.7
333.28082	1.1
343.30173	0.8
355.30331	0.7
387.16403	0.8
394.62534	0.7
401.18011	1.0
402.18921	0.7
403.19611	0.9
441.38092	0.7
459.18164	4.0
459.23508	7.3
459.38858	22.1
460.19037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05511	0.8
57.03422	1.0
59.04988	0.8
67.05493	0.7
69.03421	2.4
69.07089	0.6
69.35008	1.8
69.35429	1.5
71.04997	0.8
71.55275	0.5
72.08178	2.9
73.02901	0.6
73.06556	1.9
79.05508	0.9
81.03416	1.3
81.07047	2.3
83.05002	0.9
85.02904	4.3
85.06523	0.5
86.09707	1.7
87.00820	1.8
87.04476	6.8
89.06037	100.0
91.05466	1.1
91.07587	0.6
93.07065	1.6
95.04961	0.9
95.08607	2.7
97.02899	1.9
97.06526	0.9
99.04477	0.9
99.08105	3.6
105.01881	1.4
105.07069	1.5
107.07072	1.2
107.08623	3.1
109.02883	1.4
109.06556	0.7
109.10166	1.7
110.56898	0.4
111.33568	0.5
115.07587	0.5
117.09149	0.7
119.08591	4.8
121.10154	0.6
123.11688	0.7
126.67149	0.5
127.03929	3.0
130.08647	1.1
131.07022	2.3
133.08612	55.6
133.10081	7.9
135.11713	3.0
137.06039	0.4
137.09631	1.5
145.05037	0.8
147.11693	0.8
148.02754	0.5
149.13260	0.7
151.11205	0.7
159.02905	0.7
163.14865	1.0
170.05768	0.7
175.09726	0.9
175.14845	9.7
175.16298	0.7
177.05534	0.5
177.11237	14.8
193.08656	1.4
193.15906	4.3
207.27214	0.5
211.09758	0.6
211.16991	3.3
221.13878	2.2
229.11812	0.6
265.16473	0.7
283.17487	0.6
326.07864	1.0
327.20001	0.6
350.27490	0.5
371.22992	0.5
415.19791	0.7
415.25146	0.9
459.18765	1.6
459.27942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
54.36198	2.1
54.53772	2.4
55.01868	3.8
55.05502	6.5
57.03441	3.1
67.05505	12.2
69.03433	18.5
69.07065	7.7
69.67477	2.2
69.70771	14.7
71.04980	6.8
73.02928	2.5
73.50737	2.7
79.05480	5.2
81.03430	19.6
81.07075	14.8
83.04972	6.3
85.02904	37.5
85.06530	6.5
87.00829	13.6
91.05483	2.4
93.05415	2.5
93.07046	17.1
95.04964	7.8
95.08617	28.8
97.02888	9.2
97.06535	3.3
98.20866	3.0
99.04467	10.2
99.08102	87.5
105.01872	14.0
105.07016	9.2
107.08616	17.0
109.02889	19.8
109.06504	3.4
109.10158	44.6
111.08047	3.0
117.01784	3.0
119.08603	23.7
121.10142	10.0
123.08066	4.9
123.11703	8.8
125.09609	7.0
127.03932	25.8
133.10133	27.3
135.11700	50.3
137.09587	12.4
145.04933	12.7
147.02893	2.8
147.11702	2.8
151.11241	3.1
155.10675	21.6
159.02910	7.6
165.09030	2.5
165.16348	3.7
171.98230	2.3
175.14844	49.1
175.99648	2.4
177.03813	2.2
181.27197	2.4
193.15903	46.8
211.16943	100.0
231.05005	7.4
297.40720	2.3
387.25128	2.5
459.22211	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	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93848	1.1
53.03936	2.6
55.01865	3.0
55.05501	1.7
57.03440	1.5
61.02909	2.5
67.05500	2.7
69.03447	6.6
69.07058	4.8
71.04996	2.7
71.51797	1.2
71.52177	1.2
73.02938	2.0
79.05495	3.8
81.03434	7.4
81.07072	10.1
83.04998	1.2
85.02921	16.2
86.09734	2.6
87.00832	6.8
91.05492	6.3
93.07054	8.3
95.04959	1.6
95.08619	19.1
97.02927	6.5
97.06555	1.6
99.04468	3.4
99.08132	5.8
105.01887	4.9
105.07056	11.5
107.08615	12.6
109.02878	4.9
109.10182	4.7
111.07994	1.0
113.09686	2.8
117.07009	1.7
119.08601	58.5
121.10168	2.5
123.08082	1.3
123.11706	4.8
127.03946	9.4
129.01846	1.3
131.08611	1.5
133.10153	91.0
135.11711	23.0
137.09659	1.2
145.02846	2.3
145.04962	4.1
145.10150	1.4
147.04326	1.4
147.11688	2.6
149.09695	1.4
149.13226	1.2
155.91939	1.2
159.02870	2.6
163.11195	1.7
175.14853	100.0
177.05453	7.5
188.48360	1.2
193.15916	25.0
211.16943	12.9
263.85080	1.3
305.73004	1.3
323.46161	1.1
367.96689	1.3
373.50113	1.2
405.18799	1.3
441.17087	3.4
459.18393	5.9
459.24280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.6
55.01881	7.9
55.05511	4.5
56.77399	2.1
57.03437	6.3
59.05016	2.2
61.02917	3.8
67.05506	9.6
68.99786	4.0
69.03438	27.4
69.07077	7.4
70.06571	2.0
70.38387	5.9
71.04983	5.9
72.08144	2.1
73.02914	5.4
79.05487	9.1
81.03426	26.5
81.07069	20.4
83.04977	4.0
85.02913	69.9
85.06529	6.0
86.09715	8.6
87.00833	27.3
87.04488	2.3
89.06030	6.1
91.05479	8.0
93.07067	18.1
95.04966	4.7
95.08628	22.4
95.92293	1.5
97.02377	2.2
97.02909	21.0
97.06520	3.4
99.04469	10.9
99.08115	10.3
105.01881	23.9
105.06398	2.6
105.07047	31.3
107.08605	24.0
109.02893	26.0
109.06481	2.0
109.10165	13.8
111.08095	2.2
115.60696	1.4
117.01886	2.0
119.08592	72.5
121.06508	1.7
121.10133	8.7
123.08103	2.7
123.11716	6.9
125.09673	1.6
125.94710	1.7
127.03924	47.8
131.08617	1.8
132.36035	1.4
133.08630	2.0
133.10149	42.0
134.52597	1.6
135.11708	41.4
137.05963	1.5
137.09674	8.4
145.04984	15.1
145.10211	2.0
147.02826	1.7
147.11679	6.5
149.09624	4.5
149.13304	4.6
155.10669	4.9
159.02940	11.8
159.11638	2.0
160.12573	1.6
163.14839	9.3
173.13385	2.3
175.14842	100.0
177.05467	7.1
193.15892	43.6
199.18069	1.8
211.16949	26.6
213.03917	2.1
223.05164	1.7
231.05009	11.1
236.82799	1.7
268.03830	1.5
272.11728	1.7
313.08142	1.7
326.07852	2.8
327.19958	2.2
423.60123	2.0
459.16748	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.11353	0.5
55.05501	1.4
57.07097	1.0
59.05384	0.6
67.03969	0.5
67.05501	1.6
69.03448	3.7
69.07069	3.0
69.10866	0.5
69.27939	0.7
69.28345	3.1
69.40379	0.5
71.04976	1.5
71.58230	0.5
79.05505	1.9
81.03412	2.9
81.06599	0.6
81.07061	10.5
83.08617	1.2
85.02921	4.7
85.06535	0.5
87.00850	2.4
91.05492	4.0
91.85391	0.5
93.07063	5.3
95.08614	12.9
97.02367	0.7
97.02900	6.3
99.04453	2.0
99.08110	4.0
105.01881	1.2
105.07046	12.4
105.93614	0.5
107.08614	8.5
109.02876	1.0
109.10165	2.1
113.09651	2.2
117.07018	0.9
119.08593	43.1
121.10163	1.4
123.11722	2.8
127.03927	4.7
130.89090	0.5
131.08582	1.2
133.10143	55.5
135.11690	10.8
137.09618	1.9
138.46263	0.6
141.16426	0.5
145.04962	3.7
145.10159	0.6
147.11705	3.5
159.09094	0.5
160.12476	0.8
173.13324	0.6
175.14839	100.0
176.15160	1.0
182.89349	0.5
193.15909	10.9
211.16983	6.5
218.51321	0.5
231.04990	1.5
369.07837	0.5
373.94662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01861	1.2
55.05499	1.3
55.18057	0.5
57.02376	0.5
57.03443	0.9
57.07052	0.5
67.05495	1.7
69.03426	3.4
69.07069	2.8
70.67407	1.4
71.04980	1.6
73.02938	0.6
74.36935	0.4
77.03895	0.5
78.87737	0.5
79.05491	1.4
79.47565	0.5
81.03410	2.9
81.07059	8.6
85.02433	0.8
85.02904	7.9
87.00833	3.9
91.05473	3.8
93.07051	4.4
95.08613	12.1
97.02907	2.8
99.04426	1.1
99.08106	2.5
105.01876	3.7
105.07040	10.9
107.08603	8.1
109.02903	2.5
109.10171	0.9
113.09645	1.5
117.07024	1.1
119.08587	41.9
121.10145	1.1
123.11700	2.3
127.03934	4.1
131.08574	1.2
133.10136	50.9
134.10463	1.0
135.11703	9.9
136.55089	0.4
145.04951	2.4
145.10123	1.1
147.11668	2.8
159.02919	1.3
160.12498	0.6
175.14835	100.0
176.15163	1.0
193.15897	8.9
193.17648	0.5
208.59537	0.5
211.16949	4.2
219.24001	0.5
231.05106	1.1
352.05588	0.5
483.69769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01870	3.8
55.05501	8.1
63.33751	2.9
67.05492	8.4
69.03421	4.6
69.07074	5.8
71.01338	2.8
71.52716	4.2
77.15987	2.2
79.05497	7.9
81.03401	5.7
81.07075	11.3
83.04984	12.5
85.06541	2.8
91.05476	7.1
93.07037	6.6
95.04939	3.0
95.08622	5.9
97.02877	4.3
97.06547	7.5
101.06043	5.6
105.07044	7.1
107.04984	2.9
107.08589	3.8
109.02950	2.8
111.04452	8.4
115.03996	2.9
119.08581	6.1
121.10155	4.4
123.04456	3.5
127.03936	53.4
131.04936	3.3
131.08563	6.8
133.10175	2.9
141.06894	2.4
143.07014	3.5
145.06453	3.6
147.11731	2.6
148.90900	2.8
153.07008	2.2
157.10196	4.8
165.09180	5.0
167.08539	3.2
169.10036	4.6
173.09531	2.3
173.30382	2.4
175.11156	2.7
179.08543	3.5
181.06508	4.0
182.38986	2.3
183.02954	4.3
183.08055	9.1
183.11923	2.3
185.09677	3.2
193.12218	3.9
195.08136	4.9
197.09641	3.6
199.07561	5.6
201.09149	9.1
209.09619	4.9
211.07596	4.7
213.09087	3.4
223.07462	6.8
223.11153	3.2
225.09166	7.7
227.07076	8.4
235.11089	4.1
237.09035	2.4
241.08640	3.8
244.03725	11.4
245.04521	6.7
247.05913	3.4
251.07097	8.5
253.08572	9.0
255.10265	3.5
259.05978	8.9
265.08508	3.5
269.08069	9.0
272.03244	4.1
273.03940	7.3
287.05566	15.7
287.08408	2.7
297.07501	4.3
300.02576	5.0
301.03467	4.3
302.04239	15.7
307.09335	2.9
309.11325	5.6
311.05368	2.9
315.04999	17.8
315.08447	3.6
316.05817	16.7
317.06589	31.2
323.05502	4.5
324.06229	6.0
325.10651	15.7
327.04910	5.5
328.05539	4.5
329.06589	3.3
349.10678	5.3
349.21466	2.8
352.05658	6.5
353.10095	3.9
359.11035	3.2
366.07156	4.2
367.08176	40.6
367.22650	3.8
370.09958	3.1
377.10123	3.9
381.09634	24.1
385.23944	3.6
395.11310	37.1
405.09650	5.4
409.09116	9.6
413.12387	4.2
414.12665	22.2
423.10513	5.2
427.10309	25.1
441.11862	100.0
441.25189	2.8
459.12964	16.2
459.27478	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67542	1.3
57.03426	1.5
62.05146	1.5
65.24482	1.5
69.03423	5.6
70.06597	1.4
71.50687	1.8
81.03423	3.3
82.06558	2.6
82.99846	2.8
84.08108	1.6
85.02454	1.5
85.02898	8.3
86.06083	2.1
91.05484	2.4
97.02908	8.3
98.97602	2.3
100.00108	4.1
100.07601	4.7
101.00877	6.2
105.76267	1.5
109.02886	2.1
113.00868	5.5
115.02390	1.9
118.01128	4.7
119.01929	10.0
119.04919	2.9
122.03655	1.7
127.02406	3.0
127.03900	4.4
131.01894	6.6
137.05986	33.4
142.01154	6.9
143.01913	13.1
145.03459	6.6
145.04848	2.0
146.08072	3.8
147.04393	10.3
155.01888	8.2
156.02699	8.6
157.03477	4.0
160.02132	5.4
161.03026	13.0
168.02701	5.1
172.02206	3.5
173.02962	10.9
177.04007	4.5
178.01125	5.0
179.01897	3.4
180.02780	1.7
181.03435	4.5
184.02144	4.4
185.02969	3.2
186.03726	4.3
195.05069	16.1
196.02202	11.7
197.02890	4.5
199.04593	2.5
202.03258	2.9
203.04066	9.2
204.02820	1.6
205.03514	4.2
208.02025	1.5
216.02643	2.8
217.03416	1.8
218.04199	5.8
219.05042	28.9
221.03072	3.3
221.04990	12.4
222.03802	7.1
223.04428	7.1
224.05264	2.2
226.03223	2.6
230.04364	2.3
231.05016	6.5
233.06590	2.2
234.04021	1.8
235.04468	1.6
236.05278	4.9
237.06104	25.3
241.03473	1.9
244.04311	100.0
245.04965	3.2
246.03723	4.9
247.04597	9.5
249.06064	6.3
253.05602	1.7
258.03961	1.5
259.04626	8.5
260.05197	1.6
261.06104	18.0
262.05188	8.5
263.07825	2.2
264.04794	15.9
265.05652	3.0
272.05219	1.6
277.05405	1.8
279.07166	21.1
288.04861	1.6
291.07156	6.1
293.08621	1.5
297.08292	3.2
300.04889	3.5
307.06693	16.3
309.08206	6.3
320.07303	3.5
321.08170	18.5
323.09857	2.4
333.08026	3.8
336.06824	6.2
339.09058	3.5
348.06924	66.7
349.07431	4.1
351.09045	4.4
363.04944	2.1
363.09296	30.7
366.08002	9.8
381.10330	85.8
382.10809	2.0
399.11392	79.1
399.16656	3.8
417.12421	12.5
441.12668	7.2
459.08435	4.1
459.13818	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	459.0924
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
55.05514	2.9
58.87149	2.2
60.49748	2.3
66.92977	2.5
67.05479	3.5
70.33033	2.8
71.01351	2.8
71.52321	2.1
78.82525	2.6
81.07041	6.9
82.95279	2.4
91.05447	2.7
92.83405	2.8
93.07040	4.7
95.08593	4.9
95.75306	2.2
105.07070	3.4
107.08613	6.0
109.10149	3.2
110.53308	2.5
119.08561	4.0
124.55185	2.4
131.08524	3.6
133.10052	3.3
159.11736	3.1
168.00574	10.5
169.01321	4.7
185.00795	5.7
186.01619	5.7
228.04262	3.3
244.03755	4.0
245.04524	13.9
251.15634	2.8
256.03653	4.9
257.04422	2.6
259.97293	2.2
269.04501	3.2
273.04007	13.4
284.03186	8.9
287.05356	5.2
293.47693	2.5
298.04742	4.7
299.05475	5.7
301.03458	15.6
301.06641	4.5
302.04230	89.8
310.04575	2.7
311.05615	3.9
315.04993	2.8
316.05826	45.1
317.06586	100.0
326.04135	6.0
327.04950	11.5
338.04352	4.3
341.06461	7.7
369.06082	3.9
371.07578	33.3
399.07349	17.9
413.08362	8.4
415.06619	3.1
441.02478	4.1
441.08231	66.0
458.37128	3.0
459.09280	70.6
459.27356	4.7
459.36017	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.09
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
70.48604	0.6
71.01314	1.3
82.06589	4.5
83.06900	1.0
85.02875	0.8
86.06104	0.5
92.22758	0.5
100.07629	7.9
101.07941	1.0
116.58854	0.7
144.66341	0.5
146.08148	1.8
167.00557	0.6
184.04593	0.7
202.05696	0.9
204.07121	0.9
268.12106	0.7
282.04547	1.7
300.05771	1.7
314.07281	2.1
314.12372	1.3
331.13492	3.5
332.08386	1.8
332.13757	11.6
333.05850	1.8
349.14679	0.7
350.14932	2.5
418.53284	0.6
459.09045	100.0
459.20050	4.9
460.09232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0912
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
56.96575	2.6
59.66097	0.8
62.25478	0.8
63.54535	0.7
67.05494	0.9
69.03430	1.4
69.72243	2.3
69.72649	2.1
70.06609	2.2
79.05487	1.0
79.96181	0.9
81.07090	1.1
82.06567	1.3
85.02923	1.3
86.09726	1.0
86.49028	0.8
97.02870	1.2
98.97601	4.0
100.41169	0.9
105.07013	1.2
115.89257	0.7
116.98668	2.0
127.03945	1.1
128.07089	4.3
128.98552	0.9
129.07445	2.7
133.06561	0.9
143.00235	1.3
147.04535	1.2
150.74229	0.8
158.99742	1.7
161.01266	1.8
161.06052	1.0
162.12697	0.8
164.98601	1.4
170.99658	1.0
177.00720	1.9
182.99692	5.2
185.01306	1.0
189.00658	1.1
201.00740	5.9
203.02287	1.1
219.01636	1.9
237.03012	0.9
278.63354	0.8
311.05521	0.9
326.07831	1.9
333.05219	1.8
351.09039	1.3
441.06760	1.9
459.09055	100.0
460.09296	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05509	10.0
57.03435	5.2
57.07056	1.8
58.75607	1.6
59.04996	7.3
61.02921	4.4
69.03430	11.7
69.07074	100.0
70.06591	2.7
70.17448	5.6
70.17773	1.5
71.01373	2.0
72.08150	4.6
73.02925	18.6
73.71815	1.5
81.03425	5.2
81.07060	1.8
83.04995	2.6
83.06024	1.6
84.08156	1.7
85.02911	31.6
86.09715	7.5
86.69301	1.7
95.04985	2.3
97.02905	20.0
99.04452	4.1
103.03944	2.0
105.07038	2.1
107.04993	1.9
107.62270	1.6
108.08166	1.5
109.02877	6.0
109.06522	2.6
111.10947	2.9
111.11726	59.2
115.03918	6.3
127.03947	10.8
129.12764	83.7
133.04984	7.6
133.10164	2.2
136.03926	2.6
136.07599	3.0
145.04970	10.5
147.13815	49.6
149.09665	3.6
150.09908	3.5
163.06023	4.2
177.05464	4.7
192.14651	5.2
193.14355	5.2
202.75674	1.4
209.15343	1.7
241.06970	1.8
242.14995	2.9
245.62720	1.7
259.08136	4.6
295.09943	1.7
373.31668	1.6
469.98676	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01871	4.4
55.05500	8.0
57.03438	3.9
59.04996	7.9
61.02919	2.8
67.05497	2.3
69.03439	11.8
69.07072	100.0
70.06574	4.5
71.04980	3.1
71.05550	3.8
71.05997	2.0
72.08156	7.0
73.02924	18.5
81.03412	5.5
83.08600	3.0
84.04494	2.0
85.02445	2.5
85.02914	33.9
86.09711	14.1
87.04479	2.3
89.06018	2.0
91.07107	1.9
93.07031	2.7
95.08601	2.3
97.02892	17.2
99.04423	2.9
105.07031	2.4
109.02897	5.0
109.10141	3.7
111.10941	3.2
111.11726	49.0
115.03954	6.6
122.10537	2.2
126.32259	1.9
127.03951	12.6
129.12766	75.1
133.04973	9.0
135.08057	3.6
136.03926	8.4
136.07518	2.8
145.02914	2.1
145.04971	8.5
147.10095	2.3
147.13811	46.5
149.09653	11.7
150.09978	5.0
163.03871	2.8
163.06004	3.4
164.03477	1.9
165.98582	2.0
177.05489	3.8
191.14377	2.1
192.14670	4.3
193.14426	6.4
197.81134	2.1
259.08185	3.9
348.64102	2.0
458.25839	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14566	0.3
66.01026	0.3
67.04243	0.8
67.43027	0.3
70.41072	0.7
70.41467	0.6
75.86965	0.4
80.05016	0.3
82.06583	33.4
83.03916	0.3
84.08139	3.6
89.24891	0.3
100.07619	51.3
110.06027	0.4
128.07101	2.3
140.05580	0.8
142.07121	0.5
146.08128	11.8
156.05096	0.5
158.06606	0.6
160.08224	0.7
166.03540	0.5
168.05067	3.0
170.06624	0.6
174.06143	0.4
184.04550	1.3
186.06110	4.1
188.07700	0.6
193.08182	0.4
196.04599	0.9
202.05609	1.5
204.07178	5.8
207.82149	0.3
211.09285	0.6
214.05626	3.0
221.11273	0.3
222.08255	1.1
223.09363	0.7
223.12877	0.4
232.06686	3.8
239.08931	0.5
239.12411	0.5
240.07295	0.5
249.10884	1.1
251.12747	0.3
252.09508	1.3
253.10307	0.6
267.11914	5.7
269.09967	0.3
273.09256	0.4
283.11423	2.1
285.12921	3.3
287.14575	0.8
295.11407	3.0
303.60840	0.3
311.10846	0.7
313.12372	10.2
314.12564	0.3
329.11887	2.4
331.13501	100.0
332.13699	2.9
349.14569	20.6
350.14957	0.4
354.15027	1.9
434.06158	0.3
458.19861	27.0
459.19925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.2
67.65339	0.3
69.03457	0.3
69.42247	0.2
70.06597	1.2
70.48302	0.6
70.48669	0.5
72.08151	0.2
73.02901	0.3
74.09724	0.3
79.05506	0.9
82.06589	1.0
84.04514	0.4
84.08163	0.3
85.02902	0.6
85.06554	0.7
87.04491	0.3
90.53619	0.2
91.05501	0.7
93.07037	1.2
95.04968	0.3
98.97601	0.7
100.07635	1.0
100.62820	0.2
103.05476	5.8
107.04951	1.3
113.05998	0.6
115.03950	0.3
118.06546	0.2
119.04920	0.3
120.08116	100.0
121.02885	0.8
121.08421	0.7
127.03952	0.5
131.04930	2.6
131.07053	0.6
136.06213	0.5
136.07532	0.3
146.06027	1.7
147.04428	0.6
147.06572	0.4
149.05997	1.9
151.03912	0.4
163.03964	0.4
164.07117	0.7
166.08653	52.8
167.09026	0.3
180.08859	0.3
189.14915	0.3
209.09492	0.2
219.01884	0.3
232.09636	0.2
236.73776	0.3
299.99512	0.2
321.26538	0.3
326.12323	0.7
359.43494	0.3
422.13751	0.3
458.16193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53175	0.5
61.56945	0.5
63.72226	0.5
65.64008	0.5
69.07076	1.6
70.96424	1.3
79.05494	1.2
97.06544	9.0
120.08186	0.6
139.35330	0.6
168.00542	0.9
169.01370	1.0
183.02908	1.1
244.03735	2.5
256.03757	2.1
259.06006	3.3
269.04550	0.9
270.05328	1.8
271.06052	0.6
272.03226	1.0
284.03204	4.3
287.05521	5.2
297.04019	0.8
298.04886	1.6
299.05603	0.9
300.02716	1.7
302.04327	3.4
311.05615	0.8
312.02670	4.8
313.07111	10.3
315.04984	8.0
317.06699	3.5
324.06415	0.6
326.07889	0.9
327.05042	22.2
339.08752	1.7
341.10275	1.4
354.07425	5.2
369.09741	16.0
413.12363	100.0
414.12793	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
56.69210	0.5
61.15100	0.5
69.03405	0.5
69.07066	1.7
70.01015	1.0
70.01397	1.3
70.91979	0.6
78.78790	0.5
79.05484	1.7
90.07172	0.5
97.06538	9.7
109.42496	0.6
130.41797	0.5
168.00497	0.8
183.02895	1.1
221.69627	0.6
228.04256	0.6
231.06427	0.7
244.03720	1.9
245.04274	0.6
256.03705	0.7
259.06030	2.8
270.05182	1.6
272.03207	1.2
275.40051	0.6
284.03180	3.5
287.05478	6.3
298.04803	1.8
299.05350	0.7
300.02716	1.4
301.03375	0.7
302.04343	4.4
311.05615	1.5
312.02722	4.7
313.07047	10.1
315.04984	7.8
316.05734	1.5
317.06540	3.1
324.06326	1.1
325.03275	1.2
327.04987	21.2
336.06677	0.6
339.05087	0.9
339.08765	1.6
341.10303	1.6
351.08679	0.7
353.06604	0.6
354.07452	4.2
369.09726	15.1
395.11298	0.7
402.68442	0.7
413.12329	100.0
414.12552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
54.55148	2.1
55.01862	6.8
57.03437	17.1
57.75961	2.3
58.77439	2.4
61.02927	12.8
69.03436	48.2
70.06585	7.6
71.04987	6.4
73.02921	14.9
81.03420	10.8
82.06569	9.7
85.02911	100.0
86.03245	3.5
87.04480	24.1
91.03932	3.2
92.69048	2.4
97.02895	40.9
98.03220	2.9
98.21626	4.3
99.04469	4.6
100.07629	17.9
101.00882	7.8
102.00930	2.8
109.02909	4.3
111.82236	2.2
113.00919	3.2
115.03933	19.7
116.07107	13.6
116.78412	2.0
117.71591	2.3
119.01916	9.1
119.04989	3.0
120.02107	2.6
121.02894	2.4
127.03915	38.3
128.04269	2.8
129.02847	2.5
131.01875	5.2
133.04973	13.4
143.01888	16.4
145.03635	13.3
145.04948	27.2
146.08084	6.2
147.04379	7.7
155.01913	12.9
155.99680	3.2
157.03468	6.5
161.02974	15.2
162.03166	3.3
167.01845	4.2
168.99785	2.6
171.01450	3.0
171.99135	2.6
173.02927	11.2
174.03149	3.0
174.04587	4.7
183.05035	3.9
183.55147	2.6
185.02934	18.5
187.00928	3.6
190.05791	5.2
195.02592	2.5
197.02989	4.7
199.06317	7.9
203.03951	12.6
204.04201	2.4
205.04402	7.1
214.05099	5.7
215.00395	4.7
215.04033	3.8
221.05089	4.3
227.04059	3.3
235.06648	7.7
240.06712	3.3
244.01303	3.8
245.05090	28.4
246.05298	4.5
247.02914	4.9
249.07050	6.3
253.07666	3.1
256.07910	12.6
263.06372	5.9
264.07788	4.5
265.08463	22.1
267.04538	3.0
273.08090	6.5
273.58286	7.4
274.08191	4.5
275.06122	6.7
277.07709	31.9
278.07919	5.5
280.08948	4.0
284.17014	2.4
286.07147	5.3
289.04361	4.4
289.07544	5.3
301.07422	2.6
305.07040	3.4
307.08749	2.9
313.12653	3.4
319.08755	10.8
331.13510	20.9
337.09961	3.4
346.11163	8.3
349.06094	5.4
349.09857	20.1
349.14594	6.8
365.09280	6.9
367.10956	2.5
379.10535	3.3
394.52982	2.6
397.11932	5.4
409.12076	4.4
439.13211	4.9
458.12558	3.2
458.19901	6.3
464.67963	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.4
54.82412	0.3
55.01873	0.5
55.05515	0.4
57.03440	0.9
57.07084	3.2
59.05001	0.5
61.02946	0.4
67.05505	0.7
69.03438	2.0
69.07084	1.6
70.04086	100.0
70.63594	0.6
70.63946	0.4
71.05006	0.3
73.02946	0.3
79.05523	0.8
81.03420	1.7
81.07071	0.9
83.04990	0.7
83.08629	0.6
85.02915	4.3
87.14692	0.3
91.05498	0.5
93.07057	0.5
95.04957	0.5
95.08633	0.9
97.02905	2.6
97.06528	1.1
99.04469	0.9
99.08105	15.3
105.07044	0.3
109.02882	3.1
109.06582	0.3
111.08075	0.3
113.09682	0.5
117.08369	0.4
117.09131	2.9
119.08639	0.4
121.10171	0.4
122.53523	0.3
123.04450	0.8
127.03925	4.3
129.01120	0.3
131.08556	0.3
133.10133	0.4
141.01085	0.7
145.04996	1.0
147.08052	0.3
159.10187	0.3
165.09151	0.3
183.02939	0.7
183.10266	0.4
195.10170	2.0
209.07414	0.3
213.03667	0.3
225.11325	1.7
227.08357	4.9
243.12263	1.8
261.13306	0.7
283.01938	0.3
314.04013	0.4
330.03580	0.4
341.46243	0.3
342.03168	0.7
369.09677	0.7
372.08243	0.7
384.07968	0.8
395.11145	0.5
413.12189	2.4
414.12537	0.6
418.22549	0.3
428.10828	1.5
440.35776	0.4
458.09271	0.7
458.15283	11.5
458.37054	1.3
459.27585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3682
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03947	1.4
53.33841	1.2
55.01891	1.4
55.05520	6.0
57.07086	4.5
67.05509	14.1
67.49583	1.2
69.07077	15.8
69.20746	7.9
69.21159	5.0
71.05009	1.6
71.08652	2.1
73.02919	3.4
76.32953	1.5
79.05511	5.5
80.09673	1.2
81.07066	27.7
83.05016	1.8
83.08631	7.2
85.06580	3.0
85.70770	1.3
91.05507	6.1
93.07055	15.7
95.04998	3.5
95.08618	41.4
96.08990	1.7
97.06562	3.0
97.10200	5.5
99.04472	2.2
102.09212	1.4
103.20198	1.4
105.07046	12.1
107.08610	22.7
109.06557	2.7
109.10168	37.0
111.08109	2.6
111.11726	2.6
112.28367	1.6
115.03974	2.6
117.07023	1.4
119.08595	14.2
121.06564	4.8
121.10159	23.1
123.08083	25.5
123.11720	24.1
125.09669	2.6
131.08600	4.6
133.10144	9.3
135.08122	5.1
135.11703	12.8
137.09694	3.6
137.13234	9.2
139.07610	1.5
141.09125	7.7
143.08632	2.1
145.10144	9.6
147.08031	1.9
147.11690	8.5
149.09689	4.3
149.13286	10.4
151.07576	3.1
151.11337	2.4
151.12935	1.3
151.14934	3.0
153.09114	2.0
157.10202	4.1
159.11743	6.3
161.09697	2.7
161.13264	7.4
163.07655	1.5
163.11292	3.1
163.14833	7.7
165.09178	3.1
165.12807	1.5
169.08682	3.9
171.11717	3.4
173.13350	6.3
175.11337	1.7
175.14926	3.9
177.09242	1.4
177.12830	2.0
177.16516	2.6
181.12236	2.2
183.10211	2.5
185.13339	3.9
187.14967	3.6
189.12791	1.4
189.16521	4.9
191.14346	2.1
191.17998	2.8
193.16042	1.8
200.20198	2.2
201.16409	10.8
201.20538	2.1
203.18098	4.4
205.19621	5.5
207.14034	2.2
213.16518	2.5
215.18057	5.2
217.16170	1.5
217.19595	2.9
219.17520	2.5
229.19661	2.6
233.15268	3.3
235.17030	1.4
241.91847	1.5
243.21333	2.0
251.16600	6.3
259.20682	1.4
269.22766	2.5
271.20599	1.7
273.25931	3.6
283.24088	1.9
284.26682	2.5
319.81729	1.7
341.28674	1.9
351.27121	1.7
403.33975	2.1
421.34705	9.3
439.35800	27.0
447.29669	1.5
457.36942	100.0
457.44531	9.1
458.37308	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2411
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
50.21319	0.3
51.96896	0.4
53.03941	0.5
55.01868	1.0
67.05514	1.0
69.03436	1.8
69.07069	0.7
69.57217	2.0
70.06579	0.4
71.04991	0.3
71.48296	0.3
73.02889	0.5
79.05489	0.8
81.03426	1.6
81.07062	1.1
83.04958	0.5
85.02902	2.8
85.06532	0.4
86.09706	1.2
87.00822	1.6
87.04491	0.5
87.24194	0.3
88.73140	0.3
91.05473	1.2
93.07045	1.3
95.04977	0.5
95.08615	3.9
95.55412	0.3
97.02888	1.5
97.06548	1.0
98.21487	0.5
99.04443	0.9
105.01885	1.0
105.07011	2.2
107.08613	1.6
109.02887	1.6
109.06525	1.2
109.10146	0.9
119.08574	0.8
121.10146	1.8
123.08035	0.4
127.03931	2.2
128.10779	0.4
129.07001	0.4
131.08597	1.2
133.10141	16.4
135.08090	0.7
135.11716	0.5
137.06068	0.5
140.07027	0.6
143.08546	0.9
145.04955	0.9
145.10136	0.7
147.04417	0.4
147.11684	0.6
148.07509	0.4
149.09650	1.5
149.13219	0.5
151.11177	0.6
158.10873	0.5
159.02945	0.7
163.14844	0.4
165.11046	0.5
173.13275	4.1
191.14322	5.2
193.10477	0.6
203.05310	2.4
209.15349	2.4
231.05003	0.5
255.11345	1.0
256.11649	1.4
265.11884	1.1
266.12271	1.5
270.13071	0.4
277.17758	4.7
279.19305	1.0
295.18808	3.2
298.12689	0.8
313.36133	0.4
315.13416	6.9
316.13760	14.8
397.21149	0.4
457.24149	100.0
458.24667	2.5
469.20990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3681
Annotation	3alpha-Hydroxyolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
55.05502	3.4
55.63861	1.0
57.07074	2.5
66.08558	1.0
67.05502	6.0
69.07076	10.8
69.80648	5.1
71.08583	1.0
79.05466	1.9
81.07066	15.7
83.08642	5.6
91.05480	2.7
93.07046	5.9
95.08617	26.7
97.10165	2.2
98.20816	1.3
105.07050	6.4
107.07892	1.3
107.08603	13.3
108.90337	0.9
109.10164	14.0
111.11725	3.0
119.08593	9.3
121.10166	9.3
123.11716	7.4
131.08539	2.6
133.10138	10.7
135.08012	1.7
135.11693	6.5
137.09604	1.1
137.13272	11.9
139.07516	1.2
145.10121	4.6
147.11679	5.4
149.09627	1.1
149.13231	3.3
151.07539	2.8
151.14848	2.0
157.10146	2.0
159.11700	4.4
161.09608	1.9
161.13283	4.1
163.14824	1.6
165.09125	3.3
171.11676	1.3
173.13315	3.9
175.11214	1.6
175.14864	12.9
177.16393	4.1
179.10638	2.4
185.13266	1.0
187.14877	2.5
189.16391	3.7
191.17929	3.8
193.12169	1.6
199.14856	2.4
200.20189	1.2
201.16493	1.4
201.20415	1.6
202.39572	1.0
203.14291	1.5
203.18044	4.9
205.19489	1.4
211.84219	1.0
213.16447	2.1
215.17966	1.7
217.19505	1.9
219.13950	1.7
221.15347	4.2
225.16457	1.2
227.17822	1.6
229.19524	2.9
231.17470	2.0
233.15297	1.3
235.16960	1.7
241.19545	1.3
243.21127	14.1
245.22672	2.6
249.18549	1.7
255.21126	1.7
269.22607	2.0
275.19980	1.4
284.26440	1.7
289.21716	2.1
301.21585	4.2
301.93765	1.1
303.22903	1.4
393.35471	2.1
411.36237	23.0
421.34558	3.4
439.35757	100.0
440.35883	3.4
457.36884	24.2
457.44186	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01860	2.1
55.05497	2.0
57.03424	2.0
59.04985	1.2
61.02916	1.0
67.05486	2.4
67.70454	0.7
69.03445	9.3
69.07061	1.9
69.14671	0.6
70.24081	0.7
71.04975	2.8
71.51863	0.6
71.52251	0.9
73.02902	1.3
79.05481	2.5
81.03432	8.7
81.07088	3.4
83.04983	2.1
83.08614	1.9
85.02921	17.3
85.06551	1.3
86.09708	1.7
87.00851	6.8
91.05490	4.2
93.07070	4.3
95.04994	1.3
95.08626	18.2
97.02924	8.9
97.06556	5.1
99.04491	4.1
103.05507	1.4
105.01886	6.5
105.07051	8.8
107.08620	5.1
109.02895	8.7
109.06535	6.8
109.10162	3.7
115.07545	0.9
117.01919	1.1
117.07066	1.2
119.08598	5.5
121.06516	1.6
121.10171	7.1
123.08076	2.7
123.11702	1.1
127.03941	14.4
129.01846	0.7
131.08588	6.6
133.10155	100.0
135.08104	3.1
135.11711	1.7
136.55066	0.6
138.33200	0.6
141.11790	0.7
143.08585	2.4
145.04993	4.3
145.10170	3.4
147.11720	3.0
149.06030	0.8
149.09641	2.0
149.13321	3.0
151.07515	1.2
151.11191	4.4
153.09163	1.1
158.10954	4.1
159.02979	2.7
161.13307	0.9
163.14859	3.2
173.13301	27.9
175.14844	1.4
179.14246	0.8
189.12836	0.9
191.14345	30.4
193.15874	0.8
209.08278	1.2
209.15384	10.7
213.04070	0.8
231.05243	2.6
254.42613	0.7
277.17972	0.8
295.18793	1.0
315.13541	1.5
316.13870	5.0
348.07977	0.7
401.72437	0.8
457.24460	25.2
457.31226	1.3
475.59393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	2.0
55.05514	2.1
57.03437	1.6
57.07077	2.6
61.02935	1.6
67.05514	3.4
68.99780	1.0
69.03436	48.6
69.07053	4.3
69.21726	6.3
69.92706	0.6
71.04983	1.5
73.02924	1.3
79.05491	2.9
81.03423	5.5
81.07063	4.5
81.50375	0.7
83.04992	4.7
83.08607	1.4
85.02912	15.6
85.06541	2.8
87.00835	7.7
91.03943	0.8
91.05456	4.3
91.94781	0.7
93.07060	3.6
94.11267	0.6
95.04935	0.7
95.08614	9.3
97.02888	7.5
97.06547	3.9
99.04469	2.8
105.01866	4.5
105.07047	5.4
107.08603	16.1
109.02914	5.4
109.06521	5.4
109.10163	2.9
111.08077	4.0
117.01879	0.9
117.07011	0.8
119.08603	5.5
121.06518	2.3
121.10147	11.4
123.08073	3.0
123.11710	7.0
125.09641	20.4
127.03937	10.5
128.06238	0.9
131.08592	6.2
133.02843	0.6
133.10161	5.9
135.08060	13.5
135.11668	5.6
137.09639	0.9
143.08604	1.4
144.09290	1.0
145.04974	3.4
145.10155	3.9
147.11722	5.4
149.09634	9.6
149.13266	4.4
150.10400	1.6
151.11188	1.6
153.09125	7.8
158.10933	3.5
159.02878	2.7
161.09665	0.9
163.11189	3.1
163.14857	5.0
165.12761	3.4
173.13275	22.0
176.11951	0.9
191.14320	100.0
209.15382	98.3
210.15685	1.7
227.05423	1.0
231.04951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05508	0.4
55.85423	0.3
57.03442	0.5
67.05521	1.5
69.03435	3.2
69.07063	0.3
70.06594	0.7
70.55546	0.6
70.55913	0.6
71.04988	0.8
72.08132	0.4
73.02920	0.3
77.03918	0.3
77.86899	0.2
79.05498	4.7
81.03430	1.9
81.07060	4.2
83.04999	0.3
83.08631	0.4
85.02914	2.8
86.09684	0.4
87.00826	1.1
88.07861	0.3
91.05475	3.1
93.07050	6.1
95.04968	1.0
95.08600	1.0
97.02910	1.4
97.06535	0.7
99.04462	0.7
103.05470	0.8
105.01879	1.3
105.07038	11.3
106.07831	0.5
107.04967	2.6
107.08581	1.4
109.02900	1.4
109.06523	4.3
109.10151	2.2
115.03944	0.5
116.06244	0.4
117.03428	0.3
119.08586	2.7
120.05764	0.3
121.06506	3.5
121.10153	16.0
123.08086	1.7
123.11732	2.9
125.09610	0.8
127.03928	3.0
127.07592	0.3
131.08566	1.3
133.07603	1.6
133.10141	1.9
135.08057	1.3
135.11742	0.3
145.02843	0.3
145.04968	1.1
145.22614	0.3
149.09630	100.0
150.10001	0.8
151.11186	4.7
153.09052	0.7
158.10945	0.4
159.02892	0.7
165.12691	0.3
167.10757	1.3
168.41331	0.3
173.13220	1.5
177.05434	1.1
177.77386	0.3
191.14322	21.7
193.15926	0.9
209.15387	4.4
231.05063	0.4
415.16055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26283	1.0
53.03939	4.9
54.54649	1.0
55.01862	3.5
55.05501	3.9
55.26787	0.9
57.03439	2.8
57.07073	3.1
59.04993	1.2
61.02925	1.7
65.03916	1.5
67.05496	3.6
68.90768	1.1
68.99783	2.8
69.03436	11.3
69.07071	4.8
70.85369	2.3
71.04985	2.9
73.02900	2.9
74.15349	1.0
75.37971	1.1
79.05504	20.5
79.95732	1.1
81.03064	1.1
81.03429	12.0
81.07063	48.0
81.91682	1.0
83.04986	3.9
83.08628	6.0
85.02911	19.1
85.06554	2.1
87.00848	8.7
91.05486	5.4
93.07049	9.3
94.72854	1.2
95.04974	7.1
95.08618	6.7
97.02901	11.7
97.06525	5.3
97.63126	1.0
99.04461	4.9
105.01877	3.7
105.07037	9.3
107.08603	9.8
109.02875	10.0
109.06528	100.0
109.10163	8.2
110.13717	1.0
111.08092	2.8
115.03970	1.1
117.07024	2.3
119.08579	5.3
121.06525	2.2
121.10150	7.7
123.08051	4.4
123.11699	4.1
125.06007	1.2
125.09608	1.7
127.03925	15.0
129.01816	1.1
131.08583	10.4
131.49675	1.0
133.10149	37.1
135.08073	10.8
137.09663	1.8
139.07533	1.5
139.11200	3.0
139.19067	1.1
144.08064	1.8
145.04958	4.1
145.08405	1.8
145.10158	4.0
147.08047	1.2
147.11684	3.8
149.09659	2.1
149.13243	6.9
151.11130	1.8
153.09128	7.7
158.10913	4.2
159.02888	3.0
163.07584	1.4
163.14879	2.9
167.14261	5.1
173.13275	24.6
191.14333	53.2
205.10454	2.4
207.13889	1.3
209.15388	40.8
220.11855	2.3
231.04926	3.4
235.23174	1.1
277.17612	1.9
324.51257	1.1
331.08109	1.1
355.09879	1.2
429.39978	1.1
457.24390	24.3
458.22162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
54.36164	0.9
55.01870	2.6
55.05510	2.3
57.03434	1.9
57.07079	1.0
61.02942	1.2
62.33601	0.9
67.05501	3.5
67.10902	0.8
69.03429	14.5
69.07055	3.0
71.04982	2.5
73.02903	2.2
79.05492	4.2
81.03429	11.5
81.07054	7.0
83.04974	2.2
83.08627	1.5
85.02910	17.5
86.09685	1.1
87.00842	6.9
87.04456	0.9
91.05511	5.4
93.07030	4.1
95.04961	3.3
95.08601	4.3
97.02903	6.4
97.06515	1.8
98.21520	2.2
99.04454	4.3
105.01886	5.2
105.07034	7.3
107.04924	1.7
107.08598	12.1
109.02892	8.2
109.06531	15.8
109.10174	6.6
111.07968	1.3
115.03894	1.1
117.01881	1.5
119.08565	3.8
121.06522	2.2
121.10143	13.8
122.07281	3.4
123.08074	4.7
123.11712	2.7
127.03933	14.4
131.08577	3.5
133.10143	49.9
135.07176	1.1
135.08041	7.0
135.11679	2.2
137.09633	31.7
145.04982	5.9
145.10126	2.0
146.09590	1.2
147.11664	2.8
149.09639	7.8
149.13261	8.8
149.80322	0.9
151.11197	40.8
159.02927	4.8
163.14818	2.4
165.12775	31.8
165.27884	0.9
172.15559	0.9
173.13289	8.9
188.23898	1.0
191.14323	37.3
193.15892	5.7
209.15381	100.0
210.15826	1.1
231.05016	2.7
305.42487	1.0
457.24106	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86597	0.3
55.01846	1.4
55.02076	0.3
55.05492	0.3
57.03423	0.7
62.66525	0.3
65.03908	0.5
67.05495	0.4
68.99800	0.9
69.03403	1.2
69.07043	1.0
69.74909	1.7
69.84778	0.3
71.01340	0.4
79.05481	0.7
80.02650	0.3
81.03401	0.8
81.07040	0.9
82.04183	0.6
83.01336	0.8
83.04959	0.4
85.02884	1.4
91.05447	0.5
93.07034	0.8
95.08598	0.6
97.02876	0.5
97.06526	0.7
98.03639	0.6
99.04476	0.4
105.07017	0.4
107.08601	0.5
108.02106	0.5
109.02873	0.8
109.10172	0.4
110.03627	1.5
113.02375	2.3
115.05460	0.6
121.06483	0.4
121.10130	0.5
123.00738	0.5
123.04358	0.6
125.02342	0.5
125.05994	0.4
125.22707	0.3
127.03947	0.8
128.06204	0.4
129.06993	0.6
131.08524	0.5
135.08017	0.7
135.73866	0.3
136.01567	0.4
137.02345	3.6
138.03125	1.8
141.01828	1.1
141.06953	0.5
143.08566	0.9
146.08139	0.5
147.04373	0.4
147.08212	0.3
148.01624	0.3
151.00299	0.7
151.07425	0.3
153.01822	1.1
153.06946	0.9
155.03453	0.8
155.08546	0.9
156.04123	0.7
161.05937	1.0
165.01845	0.9
165.09058	1.1
166.02606	1.3
167.03357	0.5
167.08563	0.6
169.01338	10.0
169.06482	0.5
171.06519	0.5
171.07976	0.5
173.05956	0.9
174.06793	0.4
175.07420	0.5
177.05460	0.4
178.99727	0.9
181.01350	0.7
181.04918	0.4
181.06447	0.5
183.02910	1.9
183.08006	0.7
184.03708	0.7
185.06059	0.3
186.06746	0.8
187.07527	1.6
189.09114	0.6
191.14267	0.8
194.02124	1.7
195.08063	0.9
197.00826	23.1
197.04459	1.4
197.05977	0.7
199.07520	1.0
199.52341	0.4
201.05493	1.1
201.09134	1.1
209.15344	0.9
211.02385	0.9
211.07584	1.3
212.03178	16.2
212.08333	0.4
213.03918	1.2
213.09236	0.6
214.06285	0.5
215.01878	8.9
217.08549	0.5
227.05513	100.0
228.05846	0.8
229.08548	0.9
230.04233	15.3
236.06543	0.3
239.07031	1.5
241.04860	0.4
257.08069	4.6
280.07178	0.6
291.06348	0.4
293.08038	0.5
299.05453	0.4
303.05054	0.5
307.05908	0.5
307.09213	0.4
309.07446	0.4
313.03586	0.8
321.07654	1.0
322.04807	0.4
323.05588	0.6
324.02325	0.4
325.07022	0.5
327.05124	0.8
328.05637	0.6
331.04449	2.2
335.09189	0.6
337.03629	0.7
337.07208	0.7
338.07867	0.6
339.05057	0.5
340.05704	1.8
341.06339	0.4
342.03714	1.4
343.04459	0.4
345.06036	2.2
348.06229	0.5
349.06989	0.9
351.04929	0.4
351.12347	0.4
352.05801	0.7
353.06540	0.8
353.10495	0.6
355.04498	5.0
355.08347	0.9
356.05194	0.4
357.05759	0.4
360.08932	0.4
361.09201	2.1
363.08676	1.1
364.09521	0.6
365.06552	2.4
366.07352	0.7
367.08163	0.5
368.05246	1.1
369.06006	1.3
370.06934	0.9
371.07748	0.8
372.08371	2.1
373.07745	0.3
379.11755	0.6
381.09662	1.9
383.07596	10.9
383.11960	0.8
385.09149	6.8
391.08307	1.2
395.07288	0.6
396.12302	0.5
397.09091	0.4
398.10001	1.1
399.10690	0.7
400.11368	2.0
401.12366	1.7
407.11264	0.9
409.09268	2.2
410.10187	0.5
411.14642	2.7
413.12375	8.9
421.12994	0.6
427.10159	2.1
428.10699	0.4
429.15417	0.5
439.13913	10.2
457.14975	50.2
458.15381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1498
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
52.44426	0.3
53.03960	0.3
55.01857	1.2
57.03437	0.5
67.05478	0.8
68.99772	0.7
69.03411	1.1
69.07043	1.0
69.40877	2.4
71.01346	0.3
71.67422	0.3
79.05468	0.9
81.03389	0.8
81.07029	0.9
82.04179	0.7
83.01337	0.8
83.04965	0.6
85.02892	1.9
91.05457	0.8
93.03420	0.4
95.08612	0.8
97.02866	0.9
97.06496	0.9
98.03682	0.4
98.20770	0.7
100.07593	0.6
105.06981	0.5
109.02845	1.0
110.03642	1.0
113.02345	2.1
114.34543	0.3
119.08511	0.5
123.00774	0.7
127.03906	0.8
129.07008	0.4
130.75853	0.3
137.02338	2.9
138.03130	1.9
139.03932	0.7
141.01816	1.0
141.07016	0.4
143.08582	0.5
143.27916	0.4
144.08975	0.3
146.08109	0.7
147.04349	0.7
147.08405	0.4
147.11674	0.7
149.05933	0.4
149.40436	0.4
151.00204	0.7
152.06239	0.5
153.01817	1.4
153.06995	0.8
154.02600	0.4
155.03389	1.2
155.08577	1.0
156.04121	0.9
157.06502	0.4
160.05116	0.6
161.05983	1.0
165.01854	0.4
165.06934	0.6
165.12732	0.4
166.02660	1.9
167.03392	0.7
167.08551	0.6
168.05652	0.3
169.01328	9.3
169.06396	0.4
173.06006	1.0
174.06772	0.6
175.07567	0.5
177.05371	0.5
178.99702	1.0
181.01308	0.5
181.06464	0.7
183.02875	1.7
183.08124	1.0
184.03648	0.5
185.05998	0.7
186.06732	0.5
187.07524	1.3
189.09111	0.4
194.02133	2.2
195.08105	0.8
197.00821	25.2
197.04507	1.5
198.01530	0.5
199.07576	1.2
201.05470	1.5
201.09059	0.9
211.02351	0.7
211.07568	1.4
212.03165	18.9
213.03920	1.1
213.07483	0.8
213.09259	0.7
214.06273	0.4
215.01862	8.3
215.03795	0.7
215.06842	0.4
217.08574	0.4
227.05505	100.0
228.05876	1.1
229.08617	1.2
230.04222	14.6
236.06696	0.5
237.05582	0.4
239.07187	1.7
251.06941	0.4
253.04933	0.5
256.07446	0.4
257.08127	4.1
266.05835	0.5
267.15955	0.8
273.04013	0.5
281.04517	0.5
293.08090	0.9
295.06091	0.4
297.03842	0.5
299.05426	0.7
309.04053	0.6
309.07623	0.4
313.03378	0.9
320.06870	0.4
321.07437	0.5
322.04825	0.6
323.05536	0.6
324.06314	0.6
325.03568	0.4
325.07260	0.5
327.05206	0.7
331.04449	2.3
335.09097	0.8
337.03421	1.4
337.07117	0.8
339.08661	0.4
340.05780	1.1
342.03729	1.1
345.05984	2.2
346.06937	0.4
347.09158	0.5
348.06238	0.5
349.07053	0.8
351.05038	0.5
351.12363	0.6
352.05847	1.2
353.06586	0.6
353.10330	0.4
355.04428	5.1
355.08237	0.6
357.06238	0.6
361.09232	2.3
363.08612	1.4
365.06503	1.8
367.08258	0.8
368.05093	0.8
368.09183	0.4
369.06030	1.3
370.06891	1.2
371.07703	1.0
372.08414	2.0
379.11893	1.0
380.09177	0.4
381.09756	1.3
383.07632	10.7
385.09113	8.2
389.63852	0.4
391.08044	1.2
396.12018	0.6
398.10120	1.0
399.11002	0.8
400.11588	2.3
401.12537	1.6
407.11285	1.0
409.09213	2.5
411.14490	2.9
413.12369	8.4
421.12695	0.6
427.10254	1.6
429.15887	0.5
439.13901	10.2
440.14484	0.5
442.12729	0.6
457.14963	48.7
458.15353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1499
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
53.03945	0.5
55.01869	0.8
55.05517	0.5
57.03453	0.3
62.94083	0.3
67.05504	0.8
69.03415	0.3
69.07080	1.8
69.38673	1.9
74.42760	0.2
79.05505	1.8
81.07057	0.8
83.04971	0.5
93.07048	0.3
95.08611	0.6
97.02908	0.3
97.06547	6.1
105.03394	0.6
107.04951	0.5
107.08607	0.3
113.02356	0.2
123.08100	0.3
131.04944	0.5
131.08626	0.3
133.02858	1.9
134.03629	0.3
144.34203	0.3
144.88631	0.3
145.06548	0.3
165.55132	0.2
169.01343	0.7
173.83205	0.2
183.02930	0.6
191.10629	0.2
197.00827	0.7
197.04443	0.7
197.06093	0.4
200.04761	0.3
201.05544	0.3
211.02318	0.6
212.03172	0.3
213.05592	0.4
217.05038	0.5
227.03458	0.8
227.05496	0.6
228.04240	0.4
228.07889	0.3
229.04993	0.3
240.04204	0.4
242.05943	0.4
243.06679	0.3
245.04512	1.2
255.02896	1.3
256.03665	0.6
257.04562	0.8
259.02591	0.3
260.03348	0.3
261.07629	0.3
267.02817	0.5
269.04568	0.5
270.05551	0.4
271.06061	0.7
273.03943	2.8
274.04828	0.4
281.04504	0.4
282.05286	0.7
283.02490	0.6
284.03223	0.9
285.04004	1.3
287.05426	0.5
289.07040	0.7
295.02466	0.9
295.05792	0.3
297.04089	0.5
298.04688	0.3
299.05563	1.3
300.06308	0.4
301.03500	1.3
302.04276	0.4
303.05069	1.1
303.08664	2.3
309.03976	0.6
310.04819	0.4
311.01923	0.6
312.02661	0.9
312.06219	0.4
313.03439	3.7
315.05103	0.3
315.08646	0.3
317.06589	2.5
323.01962	1.8
323.05261	0.3
326.04251	0.5
327.05057	1.9
328.05884	2.3
329.02963	1.6
330.03928	1.3
331.04507	5.0
331.08243	6.2
332.09055	0.4
337.07178	0.4
339.05093	0.6
340.05795	0.3
341.02930	6.7
341.06149	0.4
342.03571	0.4
342.07513	0.8
343.04446	0.4
343.08154	1.1
344.05350	1.0
345.06091	6.2
346.07004	1.3
351.05075	0.4
353.06610	0.9
355.08157	1.6
356.05054	0.4
357.05878	0.3
357.09818	2.8
359.07751	3.7
360.08414	7.3
361.09250	2.6
365.06787	1.8
369.05859	1.5
371.07608	5.9
371.12109	0.4
383.07568	5.6
383.11215	0.3
384.08490	1.0
385.12994	0.7
395.11514	0.5
397.09091	0.4
398.10037	0.5
399.10806	0.8
409.09192	3.1
413.12305	4.1
424.11722	0.3
427.10272	11.3
439.13593	0.5
442.12726	1.5
457.15009	100.0
458.15170	1.7
458.70813	0.3
482.95932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
55.05504	15.6
57.07076	4.5
59.04993	4.1
65.03934	3.9
65.59715	2.4
67.05508	31.0
69.03418	8.8
69.03795	2.5
69.07072	23.3
69.98014	10.0
70.52306	2.3
71.04980	11.3
79.05508	19.8
81.03380	5.2
81.07060	66.6
83.04976	7.8
83.08632	12.5
85.02897	13.8
91.05483	31.5
93.06492	2.9
93.07054	43.5
95.08614	100.0
97.02914	3.7
97.06541	4.9
97.10168	7.4
105.07034	45.2
107.04951	3.0
107.08599	65.7
109.02853	2.5
109.06537	3.7
109.10167	53.7
111.04442	2.8
111.08088	7.7
116.61777	3.2
117.07052	5.6
119.04955	4.8
119.08600	63.4
120.09084	2.5
121.10149	50.0
123.08094	4.9
123.11715	22.0
125.09618	6.7
127.03880	5.9
127.07575	3.4
129.06944	4.0
131.08578	18.4
133.10139	48.7
135.11705	37.0
137.09677	3.4
137.13293	12.5
139.11203	4.6
142.07797	3.4
143.08571	11.8
145.10130	39.1
147.04419	9.4
147.11696	45.1
149.09662	5.2
149.13287	17.6
151.11136	5.0
157.10136	13.7
159.11716	49.2
161.13261	36.4
163.11154	2.8
163.14819	12.1
165.09071	6.0
165.12854	4.5
168.00569	3.9
171.11708	8.9
173.13283	33.5
175.03954	3.2
175.11203	3.3
175.14865	20.1
177.05479	5.2
177.16370	15.0
179.14337	6.2
183.02888	7.4
185.13243	13.5
187.14825	38.6
189.12720	4.0
189.16377	32.7
191.10716	3.3
191.14421	3.9
191.17966	37.4
193.12254	5.3
198.85580	2.8
199.14818	14.0
201.16415	40.6
203.17982	32.3
205.12221	5.0
205.15858	4.5
205.19540	3.7
207.06631	7.2
207.13791	13.9
207.17380	4.9
211.14839	4.4
213.16444	7.1
215.17972	6.9
217.19472	5.4
219.13805	21.6
219.17314	3.3
221.15302	4.1
221.18915	4.2
227.18047	3.8
229.19511	11.3
231.13893	4.4
231.21147	4.0
233.15477	15.3
235.16946	5.7
241.19490	6.2
243.21083	5.3
245.15257	4.0
247.16960	30.6
259.16971	5.0
267.20871	3.4
269.22794	4.2
275.20160	4.9
285.18259	3.3
286.97034	3.0
287.19992	14.9
299.20264	4.1
315.23334	3.3
351.51031	2.7
355.26077	3.5
391.33551	5.9
409.34763	15.2
437.34198	72.0
455.17059	6.1
455.35309	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32882	1.6
54.01907	1.5
55.01873	6.5
57.03441	8.9
61.02934	8.7
69.03432	16.0
69.93906	4.3
71.01347	2.2
73.02924	41.0
81.03428	8.5
85.02441	2.4
85.02913	34.8
87.04455	2.8
91.03953	1.4
97.02896	22.0
97.06508	1.8
99.04494	1.8
103.03959	2.6
103.07538	1.4
109.02884	2.9
109.06503	5.2
115.03934	9.3
117.05745	2.2
117.07040	2.5
121.10080	1.3
123.84720	1.3
127.03925	9.6
129.07042	2.2
130.06538	8.2
131.08647	1.7
132.08075	4.6
133.05023	7.1
133.10144	1.9
143.07329	12.0
144.08095	100.0
145.05011	6.2
156.08104	10.5
157.05099	1.7
157.08836	3.3
158.09673	58.1
160.07593	9.4
162.09157	52.4
163.03952	2.3
163.06059	1.9
164.04245	2.1
167.07253	3.8
168.08087	10.9
170.06029	1.9
170.09642	3.5
172.07600	2.2
174.09163	13.5
180.08089	1.9
182.09650	3.5
184.07588	8.7
186.09152	62.6
191.14301	2.5
194.09647	3.5
195.29704	1.5
196.07645	3.3
196.11180	2.3
197.08235	1.6
198.09193	3.3
200.10722	1.9
204.10216	91.1
209.15404	2.2
210.09171	3.5
214.08597	1.8
216.10207	3.1
222.09091	2.7
224.10730	1.8
228.10161	4.4
240.10207	9.0
241.07117	2.2
252.10249	3.4
258.11267	12.2
263.18649	1.3
270.11337	6.6
273.75009	1.3
276.12338	20.6
288.12289	20.3
294.13333	6.0
306.13403	37.0
317.80026	1.4
318.13483	3.1
324.14450	4.3
336.14362	2.8
348.14252	1.8
420.16428	7.9
438.17572	12.5
456.23273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.132
Annotation	KN-92
Peak:m/z	Relative Intensity
58.31134	0.4
67.05521	0.5
68.05008	0.5
69.03425	0.5
71.04987	3.5
71.53114	0.7
76.80061	0.4
82.06590	0.9
83.04974	0.4
84.08143	0.5
85.02925	4.1
86.06059	1.9
89.26161	0.4
91.05438	0.4
97.02885	0.5
98.97586	0.9
100.07634	0.6
109.10131	0.4
110.06005	0.7
119.04994	0.4
127.03948	2.1
127.07520	0.4
127.11211	0.9
128.07095	4.1
129.05487	0.5
140.07047	0.4
141.35577	0.4
146.08090	0.7
147.04411	1.7
148.04791	0.9
149.02097	3.7
163.03894	2.0
163.13367	0.7
177.34039	0.4
185.02969	2.6
185.04376	0.9
191.14505	0.5
227.03925	0.7
237.02698	0.5
263.04016	0.7
295.06339	0.6
303.24545	0.4
311.06909	1.8
331.10007	21.1
332.13382	0.9
336.18692	0.5
415.12311	0.7
421.28812	0.5
457.13187	100.0
458.13528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1344
Annotation	Adicardin
Peak:m/z	Relative Intensity
52.61692	0.3
55.05503	0.4
57.03441	0.4
67.05525	0.4
69.03417	1.2
69.07050	0.4
70.06579	0.7
70.46313	1.2
71.08951	0.4
71.88999	0.4
81.03389	0.6
81.07054	0.4
85.02899	1.3
91.05470	2.6
97.02898	0.8
99.04463	0.5
105.07058	0.5
107.04971	4.2
107.08601	0.4
109.02885	0.5
109.06523	0.8
109.10179	1.3
119.04952	3.9
119.07365	0.4
121.10247	0.4
127.03880	1.2
127.07620	0.6
137.06097	0.4
138.09161	0.4
140.07063	0.5
145.04922	0.4
163.03912	100.0
164.04350	0.7
193.04987	0.5
295.16364	0.6
325.09195	6.4
355.07455	0.4
457.16452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1492
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
55.01865	1.1
55.05509	1.8
57.03440	1.4
67.05508	2.2
69.07079	2.4
79.05503	2.6
81.03407	1.3
81.07056	5.8
85.02918	1.4
85.06517	1.4
91.05487	1.7
93.07046	3.8
95.04985	1.4
95.08601	5.1
97.02879	1.6
97.06515	2.6
100.84423	1.2
105.07023	2.0
107.05001	1.2
107.08604	3.9
109.10175	2.9
113.02361	2.7
114.56726	1.1
117.07007	1.2
117.77851	1.1
119.08574	2.5
121.10133	1.9
123.59089	1.1
125.09650	1.1
129.06967	1.1
133.10170	1.6
135.11732	1.3
137.02339	1.4
138.03084	1.5
145.10236	1.7
147.11696	1.6
149.13237	1.3
151.11153	1.1
153.07056	1.6
155.03319	1.4
159.11700	1.4
161.06013	1.3
169.01353	9.2
171.11752	1.1
177.12698	1.1
183.02913	2.2
184.03772	1.4
187.07614	1.3
189.16484	1.4
194.02077	1.3
197.00830	20.6
197.04500	1.7
211.07669	1.6
212.03163	13.6
215.01909	9.8
215.17955	1.2
227.05518	100.0
230.04236	18.5
232.41167	1.2
239.07158	1.7
257.08224	4.1
268.86520	1.2
297.42636	1.1
309.07803	1.2
323.05408	1.7
331.04547	2.2
340.05984	1.5
341.02869	1.4
342.03586	2.1
345.06216	1.8
349.07062	1.3
355.04535	4.8
360.08093	1.3
361.09103	1.4
368.05344	1.9
369.05902	2.6
371.07489	2.4
372.08347	2.2
375.09024	1.5
381.09586	1.9
383.07556	7.6
385.09229	6.4
400.11490	1.6
409.09250	3.1
411.14395	4.8
413.12534	7.6
427.10159	4.2
439.13971	9.0
457.14978	61.4
457.36740	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Lamesticumin C
Peak:m/z	Relative Intensity
52.12016	2.0
52.33321	1.8
55.05516	15.3
57.03434	2.6
57.07066	2.2
57.36377	1.8
66.09323	1.8
67.05215	2.2
67.05513	20.0
69.07075	22.6
69.64558	2.1
71.05002	2.3
79.05486	16.2
81.07063	38.1
83.08612	9.3
85.02927	2.5
85.06544	2.6
91.05492	18.0
93.07057	41.4
94.20889	2.1
95.08617	93.3
97.10178	3.9
98.21635	4.2
105.07040	46.3
107.08601	74.0
109.10165	48.3
111.08101	7.6
117.07012	5.5
119.08593	78.9
121.10150	53.7
123.11723	18.3
125.09595	2.7
129.07043	3.2
131.08559	20.2
133.10141	54.6
135.11699	35.6
137.13223	5.2
139.11156	3.3
141.09105	2.5
143.08563	4.9
144.09308	2.9
145.10138	58.1
147.11699	55.7
149.13281	13.7
149.38210	2.9
151.11140	2.5
153.12762	2.1
157.10120	9.2
158.10890	3.8
159.11697	53.1
160.12447	4.0
161.11990	4.3
161.13266	63.1
163.11096	3.0
163.14841	24.3
165.12727	3.1
171.11693	9.7
173.13286	46.0
175.14854	23.1
177.16354	10.4
179.10684	2.8
179.14307	8.0
185.13271	13.5
186.14143	3.1
187.14848	51.0
189.16412	54.9
191.10648	3.5
191.17958	24.9
193.12282	10.5
199.14842	9.2
201.16396	58.9
203.10725	2.6
203.17986	49.0
205.12224	5.6
205.19536	4.1
207.13829	28.4
207.17311	9.9
213.16353	8.3
215.17969	14.3
217.12209	3.3
217.19614	5.9
219.13823	48.7
219.17348	3.0
221.15306	7.2
221.19011	7.6
227.17937	6.6
229.19527	15.8
231.13809	6.5
231.21101	10.5
233.15402	19.7
235.16879	7.5
241.19553	7.7
243.21114	5.7
245.15425	4.8
245.22717	3.5
247.16980	69.5
255.21021	5.1
259.17081	2.6
261.18457	3.0
269.22687	6.9
273.18484	3.1
275.20108	8.1
283.24170	2.4
287.20056	25.4
289.21606	2.6
301.21500	4.0
315.23373	2.8
389.62518	2.2
391.33527	5.8
409.34698	32.3
437.34189	100.0
455.35272	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	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84571	1.5
51.59788	1.6
55.01867	4.2
55.05500	3.9
57.71643	1.8
61.02922	2.7
64.44521	1.7
65.03944	2.2
67.05507	8.4
69.03429	15.7
69.07058	3.4
69.69122	2.7
69.69528	6.2
70.06599	11.2
71.04988	3.7
73.02905	5.2
76.62602	1.9
79.05496	8.3
81.03432	3.1
81.07078	10.0
83.04998	10.9
84.04509	2.0
84.08144	2.2
85.02896	14.0
85.06522	2.2
86.09699	10.8
87.04462	3.6
91.05494	9.3
93.07062	9.1
94.06623	2.2
95.04983	15.2
95.08598	8.9
97.02879	5.3
97.06523	21.8
98.20812	2.4
99.04455	4.7
103.03937	2.2
105.07040	13.5
107.04967	3.7
107.08617	10.3
109.02855	8.3
109.06559	12.4
109.10146	2.3
111.04432	6.1
115.03940	2.7
116.07084	6.6
119.04945	3.1
119.08600	11.7
120.08092	1.9
121.06549	8.5
123.04409	4.9
123.08082	71.8
124.03909	2.0
124.07583	2.1
125.06014	9.9
125.09641	4.1
126.09971	4.2
127.03980	2.7
129.06987	4.3
131.08630	8.9
133.04930	2.9
133.06479	3.9
133.10138	10.1
135.04517	3.2
135.08090	10.1
137.05988	13.9
137.09644	3.6
139.03825	1.9
139.07547	7.6
141.06947	2.0
142.07806	3.4
143.08556	6.0
144.08171	2.3
145.06598	1.9
145.10118	4.7
147.04346	3.0
147.08047	7.0
147.11699	3.9
149.06000	2.0
149.09631	3.9
151.07448	2.2
154.90192	1.7
156.09332	6.0
157.08466	2.0
157.10118	5.6
159.08057	9.1
159.11670	7.9
161.05931	2.0
161.09648	11.2
161.13211	3.2
163.07504	6.7
165.09132	100.0
167.07050	6.6
171.08125	2.0
171.11729	5.5
172.08835	2.6
173.09647	5.9
175.07596	2.7
175.11142	9.2
176.03342	2.1
177.09109	7.3
178.08698	13.0
181.09985	3.0
184.08833	5.0
185.09573	4.8
187.07452	3.2
187.11214	7.8
189.12724	4.6
199.11235	19.7
201.09129	4.3
201.12650	2.6
203.10687	19.7
205.08563	9.0
206.08072	2.3
212.08267	4.0
215.10667	10.9
217.12262	19.9
221.11734	3.1
227.10657	13.3
233.11758	34.5
235.13367	3.4
245.11736	43.4
247.10857	4.9
263.12787	35.6
265.11917	2.7
269.12848	2.2
289.11856	2.7
293.11816	2.4
307.12878	3.3
314.12302	3.3
413.15500	3.1
437.18262	3.2
455.16193	24.9
455.22485	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01879	3.4
55.05518	2.1
55.73684	0.7
56.82371	0.7
57.03438	3.2
59.05008	1.3
61.02939	1.2
66.99235	0.7
67.05506	1.7
68.99776	1.2
69.03439	14.5
69.07077	3.0
69.33719	5.7
71.05007	6.1
73.02906	2.0
79.05519	2.3
81.03429	12.0
81.03873	1.4
81.07040	3.8
83.05003	2.1
83.08630	0.9
85.02918	23.8
85.06544	1.2
86.09714	1.5
87.00842	9.2
91.05494	7.9
93.07076	3.8
95.04979	9.4
95.08620	3.6
97.02919	9.3
97.06574	1.5
99.04484	3.8
102.61790	0.8
103.05477	0.8
105.01882	5.1
105.07043	5.1
105.81012	0.7
107.08607	10.2
109.02899	11.3
109.06538	7.4
109.10192	1.2
111.04481	1.1
111.08148	1.0
115.03981	0.9
115.05518	1.0
117.01829	1.3
117.07055	2.9
119.04971	5.5
119.08613	10.6
121.02933	1.0
121.06541	1.5
121.10158	3.1
123.08114	3.9
124.03965	0.8
127.03942	14.9
129.01848	1.2
129.05522	1.2
129.07033	2.2
131.08612	9.7
133.06534	2.1
133.10143	3.6
135.08069	24.9
135.11833	0.9
137.05963	1.0
143.08585	2.8
145.04987	4.6
145.10158	4.7
146.07231	1.2
147.04442	20.1
147.08063	19.1
147.11687	4.9
148.04828	0.9
148.08792	1.0
149.09648	2.6
150.10452	1.0
151.07555	18.4
151.08681	1.5
156.09381	3.4
157.10211	0.8
159.02913	6.7
159.11760	1.6
160.08891	1.7
161.09612	3.1
161.13329	1.6
163.11220	2.9
167.06972	1.4
171.11745	7.8
173.13242	1.7
174.10371	1.5
189.12775	100.0
190.13106	0.9
191.14333	36.6
207.13881	9.2
231.05103	2.4
248.43175	0.8
251.88150	1.0
265.12070	0.9
275.16336	1.3
293.52240	0.7
299.97244	0.9
389.85794	0.8
437.18130	1.0
455.22910	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	455.3524
Annotation	Krukovine A
Peak:m/z	Relative Intensity
52.44242	1.7
52.48994	1.7
55.05527	3.6
57.07074	8.2
59.04995	2.3
67.05510	5.2
69.07059	8.1
69.14754	16.9
71.08622	4.8
75.66569	1.5
76.39927	1.5
79.05498	5.6
81.07063	15.8
83.08612	3.9
85.10190	6.5
87.04478	1.7
89.06030	3.5
91.05479	4.4
93.07062	12.0
95.08609	15.6
97.06530	2.3
97.10160	3.7
100.38860	1.5
103.03948	2.3
105.07044	12.1
106.00130	1.6
107.08576	15.0
109.06532	2.5
109.10162	10.9
111.08065	2.2
119.08605	20.8
121.10153	12.1
123.08102	3.0
123.11745	4.4
125.06048	2.9
125.09636	2.2
131.08562	3.8
133.08615	3.2
133.10135	16.7
135.08073	3.8
135.11710	18.9
139.07539	3.7
143.08638	4.2
145.10123	10.2
147.11731	10.4
149.13281	3.9
151.11278	1.6
157.10135	4.2
159.08064	2.5
159.11743	6.5
161.09636	2.0
161.13274	4.2
163.14842	6.4
165.12781	2.0
171.11774	3.3
172.96606	1.6
173.09518	2.2
173.13347	2.9
175.11249	4.9
175.14806	2.2
177.09143	3.2
183.11725	2.9
187.11209	7.0
187.14815	7.4
189.16388	32.3
191.10735	3.3
197.13295	4.0
199.14865	3.9
201.16423	3.8
203.18022	2.6
205.15921	4.2
207.17456	65.4
207.19412	3.5
211.14825	2.7
213.16454	3.5
215.14319	14.7
229.15897	59.7
231.17484	11.8
233.15404	22.3
243.17491	4.4
247.16978	23.3
257.19070	3.5
283.20563	2.4
297.22192	1.9
391.71216	1.7
419.33115	3.5
437.34250	31.6
443.49265	1.6
455.35266	100.0
456.35605	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01876	5.6
55.05516	17.7
57.03448	5.9
57.07072	7.5
59.05014	11.9
60.91075	2.3
67.05514	24.5
69.03433	21.3
69.07066	18.8
69.49816	2.2
70.06600	5.5
71.04999	7.4
71.08664	2.4
71.52445	3.6
79.05499	18.2
81.03423	7.7
81.07058	51.6
82.55905	2.3
83.04982	21.1
83.08620	8.9
85.02912	28.9
85.06561	21.7
86.09712	3.7
86.90636	2.7
89.06020	2.6
89.56239	2.4
89.59743	2.4
91.05496	18.1
93.07051	40.2
95.04974	11.2
95.08614	38.9
97.02914	8.8
97.06544	13.5
97.10165	5.9
99.04490	4.8
99.08098	6.8
100.11259	3.1
101.06016	4.2
105.07047	24.7
107.04979	3.1
107.05991	2.3
107.08598	31.0
109.02895	5.9
109.06527	10.6
109.10165	26.3
111.04482	3.6
111.08094	37.8
111.31472	2.2
113.06049	5.0
113.09671	5.4
114.09222	3.4
117.07040	5.4
117.09084	2.3
119.04968	4.9
119.08587	45.5
121.06519	9.2
121.10158	59.3
122.06089	3.0
123.04434	8.5
123.08066	6.8
123.11712	28.8
125.09644	29.9
127.03908	9.9
127.07590	4.6
131.08606	14.4
133.10135	29.5
135.08080	16.1
135.08983	2.4
135.10838	2.3
135.11693	13.3
137.06006	4.4
137.09633	12.5
137.13313	3.7
139.07620	3.0
139.11215	8.5
141.12744	3.1
143.08569	7.1
143.40515	2.6
145.04977	4.3
145.10126	25.8
147.04425	17.2
147.08061	5.4
147.11688	19.4
149.09657	19.6
149.13277	7.8
151.07576	4.4
151.11217	6.7
153.09113	47.1
156.09373	3.7
157.10121	10.1
158.10922	4.4
159.08128	4.1
159.11717	19.2
161.09676	5.7
161.13287	7.3
163.11209	16.0
163.14813	4.5
165.09108	6.3
165.12727	4.1
167.10701	4.2
170.15425	4.8
171.11714	7.6
173.09682	4.2
173.13268	42.7
175.04037	2.7
175.11261	3.9
175.14853	8.3
177.12724	4.4
179.10751	7.2
179.14285	2.9
181.12299	6.3
182.15425	3.4
183.11859	2.6
185.13277	6.0
187.11160	3.4
187.14793	25.6
189.09087	2.4
189.12799	10.7
189.16408	3.1
191.10654	2.6
191.12637	2.1
191.14258	11.8
197.13252	4.5
199.14915	3.5
201.12744	8.5
201.16310	3.2
203.14349	4.7
203.17921	3.1
205.12236	3.4
205.15924	6.0
207.06570	9.6
207.13881	6.4
211.14827	2.7
213.16444	3.3
215.14308	4.9
215.17920	4.6
217.15944	6.9
219.13896	6.8
229.19574	10.6
231.17664	2.9
231.88890	2.7
233.15454	5.1
239.18066	4.6
247.20503	3.8
255.20741	2.7
257.19049	22.7
275.20059	100.0
293.17819	4.6
293.21146	71.7
419.24588	3.4
437.24741	3.5
455.22305	20.7
455.35544	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	455.1705
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
53.03937	0.7
55.05513	4.6
57.07066	2.1
59.04987	0.9
59.26485	0.6
59.81157	0.6
66.89945	0.6
67.05511	8.5
69.07071	5.1
71.08633	3.7
71.52354	0.8
79.05490	3.7
80.39452	0.6
81.07063	4.0
83.04976	3.0
83.08608	1.2
85.02908	0.8
85.10165	1.9
91.05474	2.1
93.07045	5.8
95.08615	12.6
97.06528	0.8
103.03951	1.2
105.07026	2.3
107.08606	4.4
109.10144	3.0
117.06988	1.0
119.08572	3.0
121.10133	4.2
123.11698	1.3
123.60797	0.6
125.09641	0.7
131.04948	1.0
131.08548	0.6
133.08673	0.9
133.10115	4.0
135.08125	0.6
135.11688	2.3
139.11169	2.9
145.10133	2.0
147.11734	1.6
149.13255	1.4
155.53065	0.6
157.10106	1.5
159.11665	1.0
161.13234	1.1
163.11188	0.8
163.14949	1.1
168.00574	1.6
169.01335	0.9
173.13203	1.1
175.11215	0.8
175.14792	2.3
177.16429	2.1
183.02911	1.5
185.13283	1.1
186.01642	1.4
187.14801	1.7
189.16397	2.4
201.16397	0.8
203.17943	2.4
205.15909	9.0
211.14874	0.8
218.84766	0.6
228.04294	1.3
241.54085	0.7
244.03662	3.5
249.18509	1.1
256.03787	3.3
259.06079	2.6
267.39771	0.7
269.04471	2.3
269.12259	0.9
270.05231	2.9
272.03256	1.1
273.04077	0.8
283.06082	1.0
284.03195	7.4
286.04675	1.5
287.05374	3.1
297.03979	2.5
298.04697	2.6
299.05710	1.6
300.02658	1.4
301.03577	1.4
301.07150	1.3
302.04242	9.0
311.05646	1.1
312.02798	4.1
312.05936	0.8
313.03531	1.1
313.07034	8.5
313.25537	0.9
315.05020	3.1
316.05710	1.1
317.06540	8.9
326.04282	3.6
327.05005	18.1
327.08731	1.4
328.05444	0.8
339.05194	1.5
340.05920	1.0
341.06577	9.8
343.07977	1.2
355.08112	1.4
396.12009	4.3
409.34662	3.5
411.09235	1.2
411.14426	20.6
437.34149	2.6
455.17038	100.0
455.35297	5.6
456.17276	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1705
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
55.01869	0.7
55.05497	2.1
57.03409	0.8
57.38824	0.6
59.16975	0.5
59.24797	0.5
60.60806	0.5
65.03915	0.6
67.05514	3.6
68.99753	0.6
69.07085	3.0
70.11122	2.2
71.04980	0.9
77.79601	0.6
79.05491	4.2
81.07059	3.3
83.04975	1.4
84.02104	0.9
85.06541	0.6
91.05463	2.1
93.07057	4.6
95.05000	1.1
95.08596	3.3
97.06530	2.8
98.20842	0.9
99.00819	3.1
105.07034	1.1
105.51939	0.5
107.08571	1.1
109.10155	1.3
110.65974	0.6
112.01572	2.7
117.38322	0.6
117.89211	0.6
119.04996	0.6
119.08542	0.9
121.10159	1.9
123.04424	0.6
127.00275	3.0
130.21239	0.5
133.10097	1.1
137.02383	0.7
139.11169	1.5
140.00974	1.7
141.07010	0.9
143.08638	0.7
145.10161	0.6
147.04408	1.4
147.11688	0.8
154.99661	0.8
159.11786	0.6
161.05972	1.6
168.00562	28.9
169.01315	1.3
169.04977	1.2
169.06343	0.6
171.11719	0.6
173.05995	2.6
175.03876	1.4
177.05461	1.0
181.06381	0.7
183.02908	100.0
184.03262	0.7
186.01620	17.7
187.07578	1.2
197.05978	1.0
199.07568	0.8
201.03894	1.3
207.06514	2.3
211.07536	1.0
212.08224	0.6
213.05571	0.8
213.09149	0.8
229.12425	0.8
241.12206	0.9
243.10249	1.2
253.08484	0.7
253.12219	1.1
268.03564	0.7
269.04456	0.7
281.04395	1.0
281.11685	3.1
285.03906	2.3
286.04761	0.7
295.06104	0.8
297.04010	0.7
298.04596	1.0
299.12750	3.8
301.03619	1.0
301.07062	1.4
302.04230	7.7
309.03903	0.8
311.05551	0.9
313.03479	2.6
313.06830	0.7
314.04248	2.0
317.06567	10.7
320.06741	1.2
323.05603	1.1
324.06400	1.1
326.04208	13.9
327.04996	1.5
328.05753	5.3
329.06509	1.5
337.07181	0.8
339.05017	3.7
340.05664	2.5
341.06583	21.4
352.06085	0.6
353.06589	1.8
354.07407	0.7
355.08090	1.0
365.06784	0.9
366.07233	0.9
367.07959	1.0
369.09732	1.2
376.13043	1.1
377.14093	0.8
384.07996	0.8
385.09012	1.2
391.15485	1.2
396.12067	2.4
398.13565	2.4
399.14240	0.9
405.13184	0.7
409.16388	1.8
411.14456	5.4
419.14752	1.4
427.17752	1.1
437.16040	15.1
437.34036	1.0
455.17056	69.3
456.17383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1704
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
51.89654	0.6
53.03958	0.6
55.05516	5.1
55.23403	0.6
57.07069	2.1
67.05501	8.4
69.07066	5.2
71.04996	1.0
71.08630	2.1
71.25723	1.4
79.05496	4.0
81.07061	4.2
83.04995	4.4
83.08617	1.8
85.06547	1.0
89.06063	1.5
91.05502	1.9
93.07060	4.3
95.08054	1.2
95.08614	11.7
97.06504	0.8
102.66718	0.7
105.07037	2.7
107.08612	2.7
109.10182	1.8
119.08590	3.3
119.89639	0.7
121.10169	2.8
131.04984	0.8
133.10132	2.0
135.11673	1.3
139.11200	2.6
145.10139	1.5
147.11694	1.0
158.57053	0.7
159.11693	1.4
164.87219	0.7
168.00607	2.0
169.01309	1.5
173.13225	1.4
183.02911	1.7
186.01572	1.1
187.14792	0.8
200.04759	1.1
228.04156	1.7
244.03690	3.9
256.03705	6.7
257.04510	0.8
259.06012	2.6
268.03650	0.9
269.04395	3.3
269.12634	3.3
270.05255	4.3
271.05975	1.5
272.03464	1.5
273.04187	0.9
283.05972	1.4
284.03159	7.1
286.04837	2.9
287.05417	5.3
297.03989	2.1
298.04706	3.2
299.05563	3.0
300.02679	2.1
301.03732	0.9
301.07108	1.6
302.04276	6.6
312.02652	5.0
312.05869	1.0
313.03607	1.7
313.07025	9.4
315.05020	5.7
316.12384	0.8
317.06516	6.0
326.04181	4.7
327.04999	19.1
327.08737	1.4
328.05881	1.1
336.44016	0.7
339.05130	0.8
340.05884	1.4
341.06534	13.0
343.08026	1.6
353.06808	1.0
355.08197	2.3
359.66544	0.8
385.50894	0.8
396.12045	3.0
411.14420	24.6
437.15674	0.9
437.34552	1.3
454.34467	1.5
455.17056	100.0
456.17377	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.2
57.07083	100.0
57.25482	1.5
59.05007	19.8
65.00714	1.5
67.05500	2.7
69.07076	2.3
69.25699	11.9
71.08641	95.3
77.02338	1.8
79.05515	1.6
83.08620	3.7
85.10193	92.5
89.06041	78.9
93.07069	1.4
95.08622	1.9
97.10190	3.7
98.21535	2.5
99.11745	12.2
103.07594	6.5
107.07132	1.8
107.08588	1.5
109.10202	1.5
131.07074	2.7
133.08620	77.7
141.16415	15.0
145.10062	1.5
156.06915	1.7
175.09731	1.7
177.11259	17.1
199.20561	14.7
202.42557	1.5
221.13873	12.2
239.14912	38.4
243.23276	6.5
247.16306	1.4
279.18134	6.5
283.17688	8.6
297.19101	4.1
425.37064	1.5
437.34808	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03440	0.6
61.02933	0.7
63.02385	0.3
67.05527	0.3
69.03437	1.2
70.06599	1.1
71.05007	0.5
71.52211	0.3
73.02923	3.7
75.65373	0.3
78.04716	0.3
81.03439	0.8
81.07087	0.5
82.06586	0.9
83.04960	0.4
84.08111	0.4
85.02907	2.6
86.06081	0.7
86.09734	0.4
89.03924	5.4
91.05495	0.6
93.07045	0.5
95.08611	0.8
97.02888	1.5
97.06550	1.4
98.06068	0.6
100.07629	0.3
106.04169	0.6
107.08636	0.4
109.02892	0.6
109.10178	0.4
111.70790	0.3
112.06145	0.3
115.03934	0.8
116.07111	5.4
117.03391	18.3
118.06550	1.1
119.04993	0.4
121.10190	0.4
124.03952	0.3
125.09611	0.4
127.03953	0.8
128.06226	0.4
128.07092	4.6
130.06587	0.5
133.04982	0.8
134.03658	1.4
135.04439	0.9
136.07603	0.8
137.07938	0.5
138.09148	0.8
144.08096	1.1
145.02861	48.9
146.03250	0.3
147.04395	0.7
149.05988	6.8
152.05701	0.6
156.08090	0.4
160.07573	2.1
161.59067	0.3
163.03934	0.8
164.07094	0.9
165.07344	0.7
166.08661	1.1
171.13815	0.3
172.07535	0.4
177.05490	100.0
178.05847	0.5
184.07584	0.6
186.05524	0.8
195.06563	0.4
202.08705	0.9
204.10130	0.4
250.07011	0.3
274.10812	0.8
304.57138	0.3
319.06586	0.4
321.09805	0.8
339.10846	1.4
454.16232	1.6
454.23242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2933
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.10547	0.5
55.05511	2.6
57.03447	3.5
57.07082	20.3
58.12255	0.5
59.04988	0.6
62.06096	23.6
62.06420	1.2
67.02364	0.5
67.05513	4.1
69.07083	4.1
69.73309	2.0
69.73716	0.9
71.05001	0.5
71.08641	13.9
75.04475	0.6
79.05464	0.6
81.07069	5.3
83.08624	4.3
85.10184	9.2
87.04494	0.7
89.06025	1.2
91.05465	0.6
91.54275	0.4
95.08621	8.2
97.10173	2.2
98.20732	0.5
98.98486	5.9
103.03961	0.6
103.07574	0.6
105.07056	0.8
109.10165	4.7
109.82301	0.4
121.10172	0.5
123.11700	1.3
124.01561	1.4
133.08607	0.7
137.13283	1.0
142.02635	1.6
155.01065	6.5
173.02182	0.6
198.05327	1.2
216.06371	3.0
239.23662	1.4
282.27954	13.2
282.31042	0.8
313.27396	100.0
314.27789	1.5
393.23978	6.7
436.28152	4.7
454.29416	1.8
454.34311	1.5
455.17111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.373
Annotation	Phylloquinol
Peak:m/z	Relative Intensity
53.03963	1.1
55.05517	16.4
57.07076	4.0
60.50444	1.0
62.93176	1.1
67.05508	10.1
67.53425	0.9
68.13108	1.0
69.06727	2.1
69.07072	21.2
71.08636	2.2
71.54801	1.8
79.05509	3.8
81.07066	17.2
83.08623	12.9
89.06039	1.8
91.05515	3.6
93.07050	6.1
95.08611	13.4
97.06551	1.1
97.10185	8.3
100.11305	1.1
105.07035	5.7
107.04958	1.7
107.08591	5.4
109.10163	15.0
111.11720	1.5
119.08614	4.9
121.06516	2.3
121.10111	3.4
123.11732	5.9
129.07028	2.3
131.08586	3.6
133.06483	2.5
133.08662	1.2
133.10159	3.9
135.08073	3.6
135.11707	2.5
137.13281	4.0
142.07803	1.6
143.08577	4.3
145.06560	3.3
145.10159	4.0
147.08095	2.2
147.11703	2.4
151.14841	2.6
155.08595	2.3
157.10168	4.4
159.08116	4.9
159.11746	2.5
161.09648	4.8
161.13300	2.1
169.10210	1.2
171.08116	2.4
171.11722	2.6
173.09666	7.5
173.13327	2.1
175.11223	3.5
175.14850	1.8
179.10695	1.1
183.11800	2.4
185.09682	3.7
185.13342	4.4
186.10547	1.3
187.11241	3.3
189.12871	1.6
189.16402	1.5
191.10732	3.1
197.13376	1.8
198.10529	1.9
199.11322	2.5
199.14882	1.9
201.12794	9.0
209.13245	1.7
212.12082	1.5
213.12761	4.9
213.16341	1.9
215.14400	3.3
219.13873	2.7
221.13246	1.2
223.14970	1.3
225.12845	2.1
225.16476	1.3
227.14331	6.8
229.15913	2.1
233.15375	2.0
239.14496	1.5
240.15204	1.1
241.15829	1.4
245.15355	6.8
249.16505	1.2
253.15881	1.7
267.17383	2.0
269.19000	2.5
271.16998	2.6
285.18640	4.5
287.20193	4.5
301.21695	1.6
315.23218	10.1
323.23880	2.6
327.23288	2.3
329.24844	4.7
341.24759	10.9
425.11285	1.1
435.36401	2.3
453.37448	100.0
454.37903	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	453.3731
Annotation	Strongylodiol E
Peak:m/z	Relative Intensity
55.05516	44.0
57.07088	25.9
59.43629	3.7
67.05514	28.2
69.07079	67.8
69.32243	29.4
71.08618	14.1
79.05488	16.0
81.07057	45.9
83.08629	40.4
85.10182	5.5
89.06016	14.3
91.05475	17.6
93.07055	39.9
93.36463	3.2
95.08624	56.4
97.06509	5.9
97.10193	20.4
105.07040	55.5
107.08614	21.5
109.10162	25.1
111.11725	7.9
117.07046	7.0
119.08597	25.5
121.06474	5.0
121.10164	14.0
123.08061	4.6
123.11725	12.9
129.07030	10.4
131.08578	36.7
133.08594	5.6
133.10133	12.8
135.08080	10.0
135.11711	8.8
137.13275	13.1
142.07799	5.1
143.08563	13.0
145.10120	13.0
147.08009	5.2
147.11694	9.6
149.09668	7.6
149.13213	5.7
155.08585	21.0
157.10136	19.4
159.08038	6.6
159.11687	5.6
161.09631	7.0
161.13264	5.6
169.10086	9.1
171.11713	10.0
173.09637	6.7
173.13264	4.6
175.11238	11.6
177.12665	4.5
183.11668	11.0
185.13306	6.2
187.14801	5.5
191.10843	3.2
195.11835	5.9
197.13229	8.3
199.14734	5.0
201.12814	5.1
208.84804	3.6
209.13350	4.6
211.14847	5.8
213.12856	4.8
213.16277	4.4
215.14421	7.1
217.15929	3.7
223.14716	4.4
227.14302	10.2
227.17757	4.5
239.14760	9.9
240.15219	4.0
241.15964	4.3
241.19542	4.5
249.16418	7.8
251.17909	4.6
269.19183	5.6
285.18396	6.6
287.20023	6.7
295.20615	5.4
297.22153	12.1
323.23709	6.4
343.29926	5.8
360.28036	4.0
374.69318	4.6
417.35046	8.2
435.36328	100.0
453.37909	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3729
Annotation	Strongylodiol E
Peak:m/z	Relative Intensity
55.05516	6.1
57.07064	1.6
61.32141	0.6
67.05519	2.9
67.05805	0.6
69.07071	16.1
71.08620	0.6
71.12712	0.9
71.13044	0.8
78.19530	0.6
79.05489	1.5
81.07053	6.5
83.08626	5.1
85.10135	0.7
89.06039	1.2
90.89167	0.5
91.05460	4.0
93.07042	2.6
95.08063	0.7
95.08614	7.8
97.10185	2.8
103.05437	0.8
103.87043	0.6
105.06408	0.7
105.07027	3.8
107.08592	3.6
108.13616	0.5
109.10162	5.3
111.11718	2.2
117.07015	4.3
119.08604	3.5
121.10146	2.9
123.11732	3.1
124.57024	0.5
125.13283	1.0
129.07024	1.0
130.07779	2.3
131.08598	1.5
133.06491	1.1
135.08072	2.1
135.11700	1.4
137.13274	2.4
143.08586	2.1
145.06462	2.2
145.10132	13.7
147.08066	8.2
147.11769	1.2
149.09616	3.1
149.13277	1.2
153.07030	0.8
155.08546	2.9
157.10081	1.0
158.07292	9.2
159.08025	1.7
160.08846	1.0
161.09641	2.8
163.11148	0.7
163.14938	0.6
165.16393	1.1
171.08069	1.8
171.11687	0.9
172.09013	0.7
173.09633	100.0
175.11189	18.5
185.09647	1.7
187.11235	5.4
189.09114	2.1
189.12727	0.7
191.10681	79.4
198.10394	1.1
199.11162	4.0
201.12743	4.9
205.12320	0.9
205.19348	0.6
211.11188	1.0
212.11906	0.6
213.12740	9.0
215.14308	3.8
217.12210	0.8
225.12794	0.9
226.13640	0.9
227.14296	4.1
229.15854	1.9
231.13782	2.3
239.14693	1.3
240.15176	0.8
241.15939	4.1
253.15956	1.1
255.17635	1.0
267.17426	1.5
269.19037	1.5
297.21750	0.6
309.22134	1.0
323.23611	3.6
366.00433	0.6
435.36243	29.4
453.37335	45.7
454.37717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.82162	2.2
53.03942	4.2
55.05512	21.0
57.07076	9.4
59.05006	3.6
65.03935	3.8
67.05507	37.9
69.03420	4.5
69.07072	30.8
69.36116	9.8
69.36532	3.9
70.99209	1.6
71.05018	2.3
77.03925	2.5
79.05498	20.8
81.07060	65.8
83.04971	5.5
83.08627	12.7
85.02899	3.6
85.06502	1.9
87.04485	4.9
91.05493	23.4
93.06481	4.1
93.07045	52.8
95.04987	4.5
95.08614	100.0
97.02891	2.5
97.06552	8.8
97.10178	8.8
99.08105	2.2
101.71676	1.7
105.07041	53.0
107.04942	2.1
107.08606	64.0
109.06543	6.0
109.10163	51.5
109.90686	2.2
111.08084	5.3
111.11784	2.2
115.05511	1.8
116.06320	1.7
117.07022	7.9
119.08592	72.7
121.06532	4.0
121.10150	52.6
123.08082	7.1
123.11717	22.4
125.06047	2.1
125.09636	3.8
129.07011	8.1
130.07837	2.0
131.08583	24.9
133.10139	50.0
133.11111	3.8
135.08076	8.6
135.11697	41.0
137.09634	3.4
137.13255	19.6
139.07576	1.8
139.11203	6.6
141.06898	2.4
142.07816	4.5
143.08557	18.7
144.09320	3.5
145.10130	52.6
147.08063	3.3
147.11681	38.2
149.09625	3.2
149.13245	17.2
151.07553	2.1
151.11241	3.0
151.14793	4.1
155.08559	4.0
156.09302	5.0
157.10121	31.0
157.12219	3.2
158.10924	5.3
159.11714	50.1
159.13046	2.8
160.12421	2.0
161.09650	7.5
161.13269	29.2
163.07538	4.2
163.11182	3.4
163.14842	10.9
168.09271	3.3
169.10161	9.3
170.10951	6.9
171.11711	19.1
173.09703	2.1
173.13269	27.3
175.11226	2.7
175.14824	23.5
177.09039	2.1
177.16402	18.0
179.10655	3.0
181.10170	3.1
182.10915	2.9
183.11649	10.0
183.13902	2.5
184.12492	4.1
185.09685	1.8
185.13242	22.0
187.11220	2.1
187.14822	24.9
189.12811	5.9
189.16405	32.9
191.14360	2.4
191.17963	55.7
193.12274	3.5
195.11682	3.9
197.13245	10.3
199.14833	37.4
201.16394	38.7
203.10765	1.9
203.14394	8.1
203.17993	26.6
205.12204	5.8
205.15894	2.2
205.19533	2.4
207.11758	2.7
207.13864	5.8
209.13240	5.7
211.14874	10.1
213.12729	2.7
213.16341	10.0
215.14568	3.1
215.17949	8.5
217.12273	2.6
217.15877	6.8
217.19618	3.2
219.13847	4.8
219.17441	2.4
221.09515	2.0
222.61618	1.8
223.14932	4.4
225.16478	5.9
227.14409	2.1
227.17964	7.6
229.15936	2.6
229.19571	6.6
231.13860	7.9
233.15411	9.3
237.16408	6.2
239.18060	6.2
241.19531	5.4
243.13905	2.5
243.17409	2.7
243.21062	3.0
245.15387	24.7
247.17041	3.6
251.18008	3.4
253.19562	6.5
255.21051	5.5
257.15439	3.5
258.05136	2.4
259.17017	4.5
265.19577	2.7
267.21216	4.4
269.15390	3.2
269.22577	3.5
275.16440	3.2
283.16922	4.4
285.18640	6.7
289.17926	2.4
293.22818	2.6
297.18497	4.9
299.19958	4.2
301.18137	2.1
303.19507	4.5
315.19409	4.6
329.21036	2.3
335.27429	2.5
337.21613	2.8
339.23196	3.8
349.07297	2.3
351.23126	4.4
369.24371	5.8
377.05923	2.0
383.25583	2.5
389.32095	5.5
391.33667	11.2
392.05087	6.1
393.27710	2.2
394.06870	2.7
397.27545	2.8
405.05756	2.2
407.07635	4.3
407.32883	12.4
409.34509	2.9
435.14084	4.3
435.32614	84.5
437.08575	2.6
438.09518	2.7
453.11398	24.4
453.15601	22.1
453.27240	2.8
453.33640	54.4
454.33875	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.155
Annotation	Epimedokoreanin A
Peak:m/z	Relative Intensity
51.67669	0.6
55.01900	0.7
55.05508	1.4
59.79665	0.6
60.08125	0.8
65.03963	0.8
67.05521	9.2
68.99801	1.1
69.07076	7.7
69.22978	6.6
79.05492	2.8
81.03436	1.1
81.07058	3.1
83.08627	1.1
86.09713	1.4
86.34625	0.6
90.27608	0.7
91.05495	4.9
93.07042	4.4
95.04955	1.2
95.08623	8.3
99.59953	0.6
104.10767	5.2
105.03358	0.7
105.07051	1.8
107.08588	1.9
109.10191	1.7
119.08601	2.4
120.93026	0.6
121.10130	1.2
124.99963	0.9
131.04924	0.8
134.03653	1.0
135.11739	0.7
153.01904	0.8
168.00587	1.8
169.01384	1.5
171.04480	1.1
173.13226	0.7
183.02890	2.2
184.07359	1.2
185.00894	1.4
185.13300	0.8
186.01657	0.9
216.04283	1.5
217.04863	0.9
241.04950	1.1
242.05870	1.1
244.03667	5.5
245.04448	4.6
256.03653	1.8
259.06140	4.0
265.05060	0.7
268.03867	1.2
269.04474	1.9
270.05313	1.8
272.03149	1.3
273.03998	3.9
283.05856	0.8
284.03256	3.2
286.04785	1.0
287.05508	5.2
294.05243	1.0
297.04031	4.0
298.04630	3.8
299.05600	2.6
300.02695	1.3
301.03473	4.6
302.04272	6.1
313.03809	1.0
313.07120	3.5
315.05106	4.0
316.05768	13.0
317.06696	4.1
322.04840	2.5
325.03281	1.7
326.04236	12.6
327.05063	5.5
339.05286	0.9
340.05801	2.4
341.06595	25.5
353.06689	2.2
355.08228	1.9
367.08057	1.2
383.07761	1.7
409.12943	5.2
431.84738	0.8
435.14362	1.2
453.15509	100.0
453.33978	2.2
454.15860	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05502	2.1
55.05741	0.4
55.08175	0.4
58.61135	0.4
65.03934	0.6
67.05511	10.2
67.33591	0.5
69.03428	0.5
69.06743	0.6
69.07076	9.9
70.63576	1.0
70.63912	0.8
79.05495	1.5
81.03411	0.9
81.07047	1.7
85.02868	0.4
91.05488	3.4
93.07052	4.5
95.04974	1.1
95.08607	9.9
99.15419	0.5
107.08607	0.6
109.10172	1.3
119.08559	1.4
121.10175	0.7
122.39142	0.5
125.09688	0.4
127.87829	0.5
131.04884	0.6
133.10278	0.5
134.03661	0.6
139.00290	0.5
147.11734	0.6
158.03677	1.2
159.07997	0.6
159.11722	0.6
168.00558	1.8
169.01381	0.9
171.04391	0.7
183.02982	2.8
186.01631	0.9
212.93950	0.4
214.27740	0.5
216.04227	0.8
227.53917	0.5
229.15923	0.5
244.03658	2.8
245.04581	0.9
253.05025	0.8
256.03671	2.3
259.06042	2.2
266.05759	0.8
268.03659	0.9
269.04416	2.7
270.05173	2.3
271.06058	1.2
272.03256	1.2
273.04172	0.7
283.06177	0.9
284.03168	3.5
286.04874	0.7
287.05444	3.7
294.05270	1.8
297.03983	5.5
298.04761	1.8
299.05374	1.4
300.02621	1.2
301.03632	1.0
302.04181	3.4
310.04596	0.7
312.02612	1.4
313.03674	1.1
313.07077	3.6
315.05008	4.0
316.05795	1.5
317.06580	3.3
322.04764	3.3
323.05542	0.7
325.03519	1.9
326.04199	19.5
327.04999	6.6
338.04297	0.8
339.05020	2.5
340.05807	3.9
341.06573	33.6
342.06888	0.7
352.05783	0.6
353.06543	2.6
355.08109	2.7
367.08090	1.1
369.06134	0.7
383.07596	3.6
394.10464	0.7
409.12839	6.6
415.08646	0.6
435.14438	0.7
435.33029	0.6
439.34860	0.5
453.15479	100.0
453.33551	2.1
454.15878	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01861	1.2
55.05510	1.6
57.03429	1.3
60.94659	0.7
65.03938	1.0
65.68798	0.6
67.05511	5.8
68.99801	1.2
69.07068	2.1
69.42593	3.6
69.43005	1.1
73.22222	0.7
79.05472	3.1
81.03410	1.2
81.07075	4.6
83.04967	1.3
83.08636	0.7
89.06044	0.6
91.05472	3.9
93.03414	1.0
93.07061	4.0
95.04956	1.8
95.08607	2.8
97.06534	1.9
98.20792	1.4
99.00823	2.8
105.07021	2.3
107.08588	2.3
109.02868	0.8
109.10155	2.8
111.04453	1.1
112.01579	3.9
115.05490	0.8
119.08585	4.5
123.04505	0.7
123.11677	0.8
125.09671	0.9
127.00282	3.2
133.10120	1.5
137.09622	1.9
139.03909	1.3
140.00969	0.8
141.06964	0.8
143.08577	0.8
145.10115	1.2
147.04387	1.0
147.11652	1.0
153.01921	0.8
153.06972	0.8
154.02667	1.1
154.06271	2.3
155.08542	0.7
157.10103	1.2
165.07063	1.2
165.92792	0.7
168.00557	29.0
168.02002	1.4
169.01347	2.2
169.06522	0.9
173.05966	1.3
173.13298	0.9
181.05034	1.1
181.06509	1.2
183.02902	100.0
185.05980	1.0
186.01610	18.5
187.07596	1.2
195.07999	1.2
197.06029	1.9
198.06741	1.1
199.07603	1.8
200.04588	1.0
201.03967	1.8
201.08994	0.9
201.48709	0.7
210.06674	0.9
211.07735	1.6
212.08237	0.8
213.05441	1.0
213.08949	1.1
215.10675	0.8
223.07532	1.4
225.05290	0.9
225.09164	1.0
227.10654	1.1
229.12210	1.2
233.15517	0.7
239.10692	2.2
241.04991	1.7
253.12332	1.4
257.04587	2.1
257.11557	0.8
269.04523	1.9
269.11838	1.4
271.06052	4.0
279.10196	2.5
283.06125	1.0
285.04016	2.2
286.04907	1.1
297.03967	1.0
297.11172	6.3
301.07227	1.3
302.04214	2.4
306.05460	1.2
310.04608	1.6
313.03424	2.0
314.04218	2.3
317.06635	4.7
321.07581	1.2
323.05716	1.2
326.04248	5.9
328.05746	4.5
329.06519	2.0
334.04623	0.9
335.05530	1.3
339.04999	1.8
340.05710	2.7
341.06595	7.9
349.07138	2.0
351.04868	0.9
352.05774	1.4
353.06516	1.8
355.07785	1.2
365.06461	1.7
367.08148	4.5
377.06647	2.7
378.07288	1.4
379.07993	1.3
381.09439	1.0
383.07581	2.6
384.08566	3.5
396.12024	2.2
397.12677	1.4
407.14819	2.5
409.12796	3.1
435.14307	15.6
453.10867	6.7
453.15445	21.2
453.33798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1184
Annotation	Subalatin
Peak:m/z	Relative Intensity
53.98441	0.3
54.76548	0.3
65.03934	1.2
67.05498	0.8
68.99796	0.9
69.03423	0.5
69.07066	0.7
69.70788	0.6
69.71199	1.3
79.05487	0.4
81.07059	0.5
91.05516	0.4
93.03413	1.3
93.07038	0.6
95.08604	0.7
97.02901	0.7
97.06550	1.1
98.03692	1.1
107.08540	0.5
109.02913	1.7
109.10161	0.5
110.03664	0.4
111.04432	1.1
119.08595	0.6
125.05998	0.9
126.03141	1.1
131.04895	0.5
137.02353	1.1
139.00316	0.6
139.03911	2.3
141.05493	0.4
153.05476	2.8
154.02626	6.6
154.06261	5.2
168.00565	0.8
169.01367	2.0
169.05000	6.2
169.06380	0.5
174.74901	0.3
179.08449	0.4
181.06606	0.4
183.02979	0.4
185.05923	0.4
195.04399	0.5
197.05933	0.6
200.04700	0.7
208.05257	0.3
209.06038	0.5
210.06732	0.4
211.03781	0.3
213.05554	0.4
223.04059	0.4
225.05417	0.5
226.06198	0.4
227.07178	0.5
228.04362	0.6
231.02312	0.3
237.05666	0.5
238.06224	0.9
241.04948	2.3
251.06927	0.3
253.05008	0.7
254.05731	0.8
256.03705	3.7
257.04416	1.0
265.05170	0.4
266.05756	1.0
268.03781	0.8
269.04468	6.1
270.05334	3.0
271.06015	1.6
279.06512	0.4
281.04462	1.4
282.05255	0.8
283.06039	1.0
284.03198	9.0
284.06421	0.6
285.03976	1.2
285.07614	1.9
285.10297	0.4
286.04712	0.7
293.08188	0.3
296.06888	0.4
297.03922	0.9
298.04886	0.7
299.05511	10.7
300.06329	1.0
301.07050	0.6
302.04208	0.9
303.06424	0.4
307.06088	1.4
310.04742	0.7
316.05750	1.4
321.07697	0.8
323.05444	0.6
324.06256	1.4
331.06168	0.5
332.06912	0.6
335.05551	1.5
338.04169	1.7
345.07825	0.5
346.08453	1.5
349.07144	2.2
350.08020	0.8
352.05719	2.5
353.06619	0.9
360.06412	0.5
361.07108	0.8
363.05133	2.2
367.08109	1.6
373.07077	0.7
374.07922	2.3
377.06665	3.8
378.07114	1.5
387.04947	0.4
391.04514	2.1
392.04895	0.9
392.09460	2.0
393.09677	1.5
395.07654	5.5
402.07373	1.0
405.06104	2.6
406.06894	0.9
408.04819	0.6
419.07709	0.8
420.08469	4.7
421.09317	2.7
423.07132	6.8
437.08917	1.2
438.09488	9.6
453.11829	100.0
454.12100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55648	0.5
55.46120	0.5
68.98297	1.2
69.03436	1.5
69.88071	2.5
70.06599	0.7
70.98206	0.6
82.06580	1.0
82.99876	2.1
85.01439	0.7
85.02915	1.7
87.29321	0.6
91.05478	0.7
94.99897	0.7
97.02885	1.1
98.97591	1.7
99.03006	0.7
99.16841	0.6
100.07618	1.4
101.00895	8.3
103.02464	0.7
113.00890	4.3
115.02467	5.7
115.60472	0.5
117.04008	4.7
119.01945	6.3
125.00838	1.2
127.02392	3.1
127.03943	1.0
129.03963	0.7
131.01929	8.7
133.03502	5.3
135.05045	2.9
137.00873	2.2
139.02515	1.0
141.04012	1.8
143.01927	9.3
145.03493	9.8
146.08163	1.0
147.01369	0.7
147.04457	2.0
153.03967	0.9
153.16579	0.6
155.01936	18.6
155.05453	1.1
156.02690	1.8
157.03484	5.5
159.05072	17.2
161.02986	7.1
161.06662	1.0
163.04556	2.4
167.01874	0.9
167.05603	0.6
169.03517	2.1
171.01419	0.7
171.05058	21.9
173.03023	11.6
173.06679	5.2
175.04593	2.0
177.06129	4.7
183.05045	2.8
185.03073	4.3
185.06725	2.3
187.04572	2.3
189.04501	0.9
189.06152	10.7
191.07689	1.3
193.03622	1.3
195.05087	2.1
197.03027	1.2
197.96996	0.6
199.04582	1.5
201.06110	9.3
203.04042	12.6
203.07701	2.3
205.02039	0.7
205.05630	1.1
211.04587	1.0
213.02486	1.7
213.06123	8.4
215.04129	2.0
217.05664	1.4
219.07162	3.6
221.05101	21.6
223.04837	1.0
231.07140	1.7
235.06700	1.4
239.04031	1.4
239.06143	0.7
241.05539	1.1
243.07167	4.2
245.05240	0.8
253.07732	0.8
257.05197	0.9
259.06708	2.8
261.08258	36.0
262.08472	1.1
275.06110	0.9
277.07809	2.7
279.09317	46.0
280.09598	0.8
299.06131	1.4
305.10718	0.7
319.08905	1.2
345.10419	4.3
349.09839	2.7
357.10382	2.5
361.02542	2.4
375.11685	1.6
393.12494	100.0
394.12619	2.6
453.07669	0.6
453.13660	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	452.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20710	3.2
55.05519	13.5
57.03435	10.6
57.07070	7.9
67.05232	3.0
67.05518	32.5
69.07080	16.7
69.20303	2.3
71.08639	7.3
71.52480	2.4
77.69712	2.8
79.05497	9.7
81.07065	36.5
83.08628	12.4
85.10168	6.2
89.06070	4.2
91.05498	7.9
93.07053	9.2
95.08624	33.8
97.06509	3.3
97.10165	8.9
98.98481	30.6
105.07037	5.6
105.32180	2.5
107.08604	8.3
109.06496	3.5
109.10175	11.0
119.08541	6.5
121.10143	7.6
123.11762	6.6
133.10164	3.3
137.13297	3.7
146.62154	3.0
147.11783	3.5
155.01056	15.1
163.23186	3.1
168.59972	3.2
173.02167	5.8
227.20116	5.3
239.14854	3.7
245.22614	5.5
263.23767	16.6
337.27441	100.0
452.32709	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	453.1183
Annotation	Cadensin A
Peak:m/z	Relative Intensity
51.78434	0.5
53.81137	0.7
55.01873	0.6
55.05511	1.1
55.81768	0.6
65.03948	3.8
67.05517	2.8
68.99809	0.6
69.03426	1.5
69.07065	2.3
69.17963	1.5
69.18382	3.8
71.04163	0.6
74.09653	0.5
79.05492	1.5
81.07057	3.2
83.04979	0.7
85.02895	1.0
89.06030	0.7
91.05485	2.2
92.99763	0.8
93.03420	4.4
93.07052	1.7
95.04979	1.1
95.08614	2.0
97.06531	2.1
100.05167	0.5
105.07035	1.5
106.57587	0.5
107.04955	0.7
107.08612	1.9
108.02089	0.6
109.02869	0.7
109.06532	0.5
109.10152	1.4
110.03664	1.4
111.04443	3.9
118.04170	1.3
119.04952	1.6
119.08588	1.9
121.02896	1.2
121.10146	0.9
124.05186	0.8
125.05975	1.6
131.08582	0.7
133.10141	1.2
135.04457	0.9
135.11653	0.8
137.02356	0.8
137.09602	1.0
139.03917	9.5
141.07068	0.6
145.10141	1.1
149.05981	0.5
149.09642	0.9
153.01851	3.5
153.05495	3.1
153.06705	0.5
153.92488	0.5
154.02663	1.1
154.06259	15.9
159.11653	0.9
161.13179	0.8
162.03194	0.6
167.07024	1.7
168.00655	0.7
169.05009	0.9
171.03058	0.6
173.13510	0.5
181.04962	5.1
181.06407	0.9
183.02911	2.5
197.06021	1.1
199.07599	0.7
200.04701	4.1
227.03510	0.8
228.04222	1.9
229.04921	0.7
237.05470	0.9
240.04184	0.9
241.05049	3.8
253.05011	1.3
254.05879	0.7
255.06630	3.1
257.04443	8.4
266.05688	0.8
269.04462	2.7
270.05206	1.4
271.06046	24.1
273.03937	3.4
281.04523	1.1
282.05194	1.8
283.06064	4.8
285.03937	4.1
285.06992	0.9
286.04770	2.2
305.08020	1.1
307.06097	1.1
333.07568	1.4
340.70554	0.6
361.07092	1.8
363.05008	0.8
367.08105	0.6
377.06601	0.8
389.06653	1.4
392.04984	0.8
393.09796	3.3
395.07956	0.6
407.07767	1.2
421.09525	1.5
435.32474	0.9
437.08664	2.0
438.09436	5.0
453.11816	100.0
453.33765	1.5
454.12256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.192
Annotation	Doxazosin
Peak:m/z	Relative Intensity
52.80996	0.3
53.03956	0.5
55.01889	0.5
55.05504	0.8
56.05037	0.4
57.03446	0.6
61.02893	0.5
67.05496	0.5
67.87088	0.4
69.03423	2.3
69.07088	0.5
69.37874	3.3
70.06596	9.3
71.05003	0.8
72.08153	3.4
72.54102	0.4
73.02895	0.5
74.45215	0.4
81.03414	0.9
81.07045	1.0
82.06582	1.3
83.04968	0.5
84.04501	0.4
84.08144	1.6
85.02917	5.2
85.72342	0.4
87.04485	1.1
91.05483	1.1
93.07023	0.6
95.04947	0.5
96.08134	5.1
97.02900	0.9
98.09698	100.0
99.04437	0.8
99.10043	0.8
100.07625	0.7
104.07096	1.2
105.06963	0.5
107.08556	0.7
109.02860	0.6
109.06532	1.1
111.04447	1.3
114.09172	1.8
116.07069	0.5
118.76325	0.4
119.04908	0.9
120.08114	0.4
121.02943	0.6
121.10099	0.4
123.08086	0.7
124.07579	0.5
127.03904	1.4
131.04916	0.4
133.10130	0.4
137.05975	0.8
142.08649	7.1
144.10204	19.4
145.04982	0.5
147.04417	3.2
151.11166	0.8
152.07135	0.5
153.58461	0.4
163.03885	0.6
167.07086	0.5
167.10542	0.4
169.08604	1.6
188.03716	0.4
189.05441	0.6
224.12723	0.8
242.13826	1.6
244.15227	0.5
252.12323	2.7
255.12244	0.4
262.10526	0.4
270.13370	7.1
273.13129	0.8
287.05225	0.6
288.05795	0.6
288.14413	9.4
289.15793	0.5
290.15927	1.8
438.42804	0.4
452.18927	58.5
453.19238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01875	3.7
55.05519	3.6
57.03423	2.0
61.02935	1.9
63.84538	1.6
66.18607	1.3
67.05510	11.6
69.03440	15.7
69.07065	6.2
69.62175	9.7
70.06596	2.7
70.31567	1.4
71.05000	25.9
72.08154	2.9
73.02923	2.1
75.36447	1.3
76.05495	1.6
79.05497	7.7
81.03415	6.4
81.07063	24.8
82.07394	1.5
83.04981	3.7
83.08611	2.4
85.02918	17.2
85.06549	24.0
86.09724	1.6
87.00828	8.7
87.04488	2.1
91.05499	14.3
93.07059	15.2
95.00732	1.7
95.04917	2.9
95.08625	5.2
97.02905	6.5
97.06544	6.8
97.10207	1.7
99.04459	3.8
99.08112	4.9
105.01873	5.6
105.07043	18.1
107.08600	17.0
109.02913	8.4
109.06525	5.9
109.10178	29.7
111.08098	3.4
119.04952	11.8
119.08615	4.8
121.06535	1.6
121.10157	7.6
123.11710	10.2
125.09644	5.1
127.03946	13.9
127.07597	2.8
127.11208	14.2
131.08521	2.3
133.10146	47.0
135.11710	2.4
136.20047	1.5
137.09618	1.8
138.10059	1.6
139.11188	3.5
143.10704	7.7
145.04977	4.2
145.10158	6.0
147.04427	74.7
147.11743	3.1
147.46706	1.5
149.09663	2.8
149.13309	2.1
149.76428	1.6
151.11198	47.8
155.10687	7.8
159.11659	3.0
167.07033	2.3
167.10739	3.3
169.12257	37.0
176.29491	1.6
177.05420	1.6
179.77119	1.8
187.13315	100.0
201.16365	3.9
204.10219	45.7
218.11781	4.0
219.17465	7.3
223.17049	1.9
224.17316	2.8
231.05078	2.6
236.17360	2.9
237.18544	36.7
249.16011	2.5
254.18271	1.9
255.15855	1.9
260.05533	3.2
271.19168	3.7
272.19357	7.8
275.10873	1.7
290.06213	2.1
306.21820	2.0
328.56900	1.4
366.11804	1.6
452.18973	1.5
452.25504	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
58.06602	0.6
61.02908	0.3
65.03940	0.7
67.05494	0.4
69.03440	0.4
69.07041	0.2
69.53001	0.3
69.53403	1.3
69.92696	0.2
70.06606	0.5
71.04968	0.4
72.08162	3.8
73.64658	0.2
79.05493	0.3
81.07066	1.1
83.00172	0.2
85.02899	0.7
86.09713	1.4
89.10787	0.7
91.05486	5.1
97.02892	0.4
103.12276	0.3
105.07036	0.3
109.02859	0.2
109.06541	0.2
109.10158	0.5
119.04952	14.1
121.06564	0.3
121.10130	0.4
123.11723	0.2
127.03925	0.4
133.10146	0.7
136.07574	1.0
143.15424	0.9
147.04420	100.0
148.04736	0.8
149.09665	0.3
151.11166	0.5
152.07079	0.4
153.01819	0.3
160.18100	0.3
164.07085	1.1
169.12245	1.6
187.13322	0.4
204.10214	59.4
205.10483	0.4
218.11765	6.6
235.14310	1.1
249.15994	2.3
260.10144	0.3
287.05609	0.5
288.02670	0.3
288.05771	1.4
288.20786	0.3
289.06067	1.1
289.19144	1.3
290.06329	1.5
300.02777	0.2
306.21762	4.6
306.25092	0.4
408.07169	0.6
417.16202	0.3
437.07410	0.8
452.10684	2.3
452.25473	58.7
453.25757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93544	4.5
57.03448	7.0
60.54650	2.9
69.03430	5.0
70.06603	7.5
70.80113	6.7
70.80474	4.2
71.05006	40.4
72.62441	3.8
75.04525	3.3
82.06604	3.1
83.04971	4.6
85.02924	71.3
97.02899	5.0
98.06074	5.2
98.09708	3.9
98.95326	3.4
105.06981	3.3
107.04971	4.9
109.02900	5.4
116.04531	3.1
116.07111	4.6
116.59001	3.5
116.69685	3.0
117.32795	3.5
118.17633	3.6
118.96794	3.0
121.34507	3.0
122.06063	3.1
123.04454	5.8
127.03950	100.0
129.05515	30.3
137.06012	4.6
140.07094	9.1
141.71500	2.9
144.06554	19.5
146.08109	9.6
147.04405	5.5
147.06499	18.8
153.97395	3.5
164.39328	3.6
167.86362	3.1
168.06606	15.1
179.07240	2.9
249.54591	3.1
434.19736	5.5
452.19495	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	451.3575
Annotation	Strongylodiol J
Peak:m/z	Relative Intensity
50.29432	1.2
55.05512	5.7
57.07072	4.0
60.70566	1.4
61.10110	1.1
64.13492	1.3
67.05511	15.5
69.07075	16.4
69.62965	2.2
69.63370	5.6
71.08624	3.8
79.05518	2.8
81.07063	25.8
83.08627	2.9
89.06035	2.0
91.05486	4.4
93.07053	5.1
95.08613	37.8
95.90958	1.1
97.10140	1.5
99.90194	1.1
105.07033	3.5
107.08613	6.4
109.10162	24.5
111.11743	2.7
115.05461	1.8
117.07026	4.4
119.08578	5.4
121.10120	3.8
123.11715	16.9
125.02375	2.4
129.07036	1.8
130.07805	3.3
131.08667	1.4
133.06535	1.9
135.08073	1.5
135.11707	3.6
137.13274	34.1
137.14264	2.5
143.08531	1.6
145.06491	3.2
145.10150	15.2
147.08029	7.4
149.09657	2.9
155.08536	3.0
158.07256	10.6
159.08075	1.3
160.08890	1.5
161.09622	2.2
165.16397	12.0
171.08064	1.8
173.09637	100.0
175.11203	14.1
185.04507	1.5
187.11211	2.2
191.10686	73.0
198.10442	2.1
199.11198	2.3
201.12791	3.4
213.12830	6.2
215.14348	4.9
227.14301	2.0
231.13783	2.8
239.14987	1.9
241.15842	1.9
259.46075	1.1
267.17435	2.9
385.79080	1.4
427.63547	1.4
433.34735	25.7
451.35797	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3574
Annotation	CHEMBL1818095
Peak:m/z	Relative Intensity
53.03939	1.1
55.05514	8.6
57.07084	7.8
64.83304	0.7
65.03951	1.1
65.25935	0.6
67.05512	26.3
68.21796	0.7
69.06743	0.8
69.07080	12.4
69.51009	4.2
71.08638	8.5
79.05504	3.9
81.07065	39.4
83.08627	5.9
85.10197	3.5
89.06041	1.6
91.05474	2.5
93.07057	8.0
95.08616	45.5
97.10162	2.8
97.67853	0.9
105.07042	3.1
107.08601	12.2
109.10165	57.4
111.11725	1.1
117.06983	0.9
119.08602	2.3
121.06544	0.9
121.10149	5.8
123.11721	43.8
125.06005	0.9
126.19582	0.7
129.06984	0.7
131.08559	1.5
133.10132	2.1
135.08118	1.7
135.11702	4.9
137.09666	0.8
137.13260	14.5
143.08563	1.7
145.06485	1.4
145.10153	2.1
147.08116	1.5
147.11731	1.1
149.13242	3.8
151.14816	1.8
157.10184	1.4
159.08102	2.3
161.09665	1.2
161.13242	1.7
163.14838	1.5
165.16411	40.2
169.10193	0.9
171.11719	1.5
173.09624	3.5
173.13342	1.4
175.11266	1.2
183.08191	0.8
183.11807	1.4
185.09590	1.6
185.13332	1.5
185.14847	0.8
191.10687	0.9
197.13235	1.1
199.11276	1.6
199.14861	1.0
201.12775	2.8
213.12819	2.6
215.14360	1.4
219.13733	1.3
219.21184	4.8
225.12750	1.0
227.14435	2.4
237.16521	1.1
239.14380	1.3
241.15808	0.8
245.15469	2.3
255.17575	0.8
267.17593	1.8
269.19006	1.5
271.16797	0.9
279.84818	0.9
285.18552	2.8
287.20108	3.3
297.22330	1.0
300.30789	0.8
301.21579	1.4
313.21729	2.9
315.23215	6.1
327.23145	1.0
339.23215	2.7
405.36395	1.4
433.35452	3.2
451.35764	100.0
452.36102	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
57.03436	1.9
59.12814	1.8
67.05513	3.2
69.03417	11.9
69.07063	9.2
70.06599	20.2
70.29362	5.3
71.04999	17.2
73.06599	1.5
79.05505	5.4
81.03454	3.5
81.07059	11.0
82.57037	1.6
83.04981	3.0
85.02917	9.1
86.09712	18.1
91.05477	3.1
93.07056	5.7
95.04978	3.4
95.08616	4.5
97.02898	4.5
97.06530	12.4
99.08105	3.5
105.07044	4.4
107.04945	2.8
107.08595	6.7
109.10200	8.6
119.08578	3.3
121.10124	9.9
123.08035	2.0
125.09651	5.3
127.03893	7.6
127.11200	25.0
127.12037	2.5
133.10104	3.3
135.04420	1.7
135.11734	3.5
137.06067	1.8
137.09641	16.3
138.10104	1.6
139.11180	3.1
145.10161	1.6
146.58125	1.9
147.04434	3.8
147.11668	4.1
149.09636	29.7
149.89662	1.5
153.09096	2.4
155.10666	19.8
163.03947	10.7
165.12694	2.4
167.10699	21.1
173.02464	1.8
175.97256	1.6
185.11711	8.7
189.16388	2.0
193.15916	1.9
201.05623	1.7
205.15854	4.5
210.96497	1.7
215.06999	3.9
217.15858	4.1
219.13542	3.4
223.07506	3.6
223.16948	18.2
229.15538	11.7
230.15610	2.4
235.16974	33.6
238.08563	2.6
253.17986	18.1
259.09671	5.9
271.19058	100.0
272.19318	1.7
283.87042	1.5
286.17740	3.3
289.20142	6.3
403.70636	1.6
423.08487	1.9
427.55228	1.8
451.10309	2.9
455.95670	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.254
Annotation	Atractyloside B
Peak:m/z	Relative Intensity
55.05503	2.9
57.03433	1.6
67.05504	2.9
69.03432	10.4
69.07055	6.6
69.37619	3.6
69.38029	10.1
70.06583	2.1
71.05002	16.9
71.36801	1.7
72.70404	1.7
73.06631	1.8
75.92651	1.6
79.05476	3.8
81.03426	2.7
81.07070	9.9
83.04969	5.2
85.02901	9.4
91.05466	1.6
93.07027	7.8
95.04977	2.1
95.08610	4.6
97.05989	1.5
97.06497	9.1
99.08092	2.9
105.07077	3.8
107.08577	7.6
109.06538	2.9
109.10149	9.5
119.08575	4.1
121.10156	8.5
123.08085	1.8
125.09627	7.4
127.03930	2.7
127.11197	28.0
129.10054	1.7
131.08507	2.0
133.10095	3.1
135.11755	2.1
137.09612	19.7
139.11168	3.5
145.04955	1.8
145.10170	2.9
147.04439	4.6
147.11671	5.3
149.09633	27.4
153.09134	2.5
155.10675	21.5
163.04002	2.0
165.12619	2.6
167.10667	28.8
171.11723	1.8
175.11269	2.1
185.11795	4.1
191.08215	4.7
203.03127	2.9
205.15912	3.4
217.15849	3.5
223.16914	20.8
235.16937	32.7
238.29578	1.7
242.23332	1.7
253.18040	22.8
271.19061	100.0
287.05423	2.5
289.06110	2.8
289.20102	11.6
307.12421	2.0
451.32758	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2547
Annotation	Dictamnoside K
Peak:m/z	Relative Intensity
55.01876	1.3
55.05515	1.6
57.03444	1.9
59.04994	1.2
67.05501	3.6
69.03132	1.3
69.03447	12.2
69.07083	6.4
69.83488	4.2
70.06591	1.3
71.05003	19.9
73.02898	1.0
79.05511	6.9
80.05821	1.0
80.49442	0.9
81.03419	3.2
81.07076	11.4
83.04993	2.7
83.08602	1.6
84.85497	0.8
85.02435	1.4
85.02917	14.9
85.06538	1.8
86.09712	1.8
89.88699	0.9
91.05477	3.3
93.07060	8.3
95.04984	2.5
95.08640	6.0
97.02892	3.6
97.06552	15.0
98.21394	1.3
99.04479	1.0
99.08098	3.7
105.01881	2.0
105.07062	6.5
107.04949	1.2
107.08615	17.9
108.08947	3.4
109.02879	2.3
109.06525	3.1
109.10183	10.0
111.04443	1.8
111.08053	1.2
117.07103	1.1
119.08609	5.1
121.10155	8.8
123.08105	2.4
125.09643	7.5
127.03098	1.0
127.03947	4.4
127.10300	2.1
127.11217	34.3
131.08589	3.6
133.10155	3.7
135.08089	1.3
135.11703	2.9
137.05969	1.4
137.09633	27.3
139.11194	2.1
145.04976	1.7
145.10138	3.0
147.04419	3.1
147.11705	3.8
149.09654	36.5
149.13246	1.5
150.09958	4.3
151.11220	1.9
153.09114	2.5
153.12750	2.1
155.10699	26.7
157.10222	1.6
159.11655	1.9
161.02374	1.3
161.09647	1.9
163.03917	3.9
163.11176	2.5
165.12764	2.4
167.09340	2.0
167.10712	33.8
168.11104	1.4
173.02400	1.8
173.44379	0.9
174.30644	1.0
175.11177	1.7
177.05597	1.0
179.10568	1.4
185.11726	5.4
187.14919	2.1
189.16428	1.5
193.15877	2.7
195.17484	1.1
199.14819	1.0
205.15932	5.0
207.17497	1.6
215.07190	3.0
217.15872	3.8
223.15356	0.8
223.16953	33.0
235.16959	39.4
241.17804	1.0
253.18036	30.1
257.12860	2.2
259.09711	8.2
271.19092	100.0
272.19250	2.0
287.05557	2.8
289.20273	6.2
339.15948	1.0
391.08063	1.2
429.64752	1.0
433.15823	1.3
449.04410	1.1
451.10449	2.9
452.25552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.11617	0.2
55.01868	0.4
55.05490	0.2
57.03425	0.2
61.02933	1.0
69.03439	1.9
70.06563	0.3
71.04996	0.2
71.10650	0.3
81.03415	1.0
85.02910	9.1
87.04469	0.5
91.03951	0.2
97.02905	2.5
99.04442	0.4
100.07639	2.4
102.19283	0.2
107.04958	1.2
109.02881	1.4
121.02879	0.4
127.03926	100.0
128.04239	0.5
145.04973	2.3
146.08087	0.3
151.07430	0.2
163.06006	0.3
165.01866	0.5
177.01889	0.2
183.02989	0.3
190.32008	0.2
195.02887	0.4
198.08360	0.2
219.03015	0.3
231.03065	0.2
267.94632	0.2
285.07614	0.5
289.09128	0.3
301.07166	0.6
313.07047	0.2
361.19571	0.2
367.08035	0.2
451.17929	0.3
451.26477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
54.73791	3.6
55.01881	5.0
55.05512	8.6
57.03417	5.0
61.02927	3.7
65.03956	3.3
67.05505	26.1
69.03428	18.1
69.07064	20.7
70.06598	6.4
71.04995	22.3
71.51727	4.6
72.08153	8.2
73.02898	6.9
73.06550	5.4
78.70122	3.1
79.05499	21.6
81.03419	7.0
81.07070	56.4
82.06551	5.0
83.04974	15.3
84.08106	4.3
85.02914	24.1
85.06544	12.0
86.09675	8.4
91.05476	18.6
93.07078	20.9
95.04961	17.9
95.08621	28.7
97.02879	10.4
97.06536	33.2
98.09695	4.2
98.97591	4.1
99.04449	6.4
99.08109	5.6
105.07030	23.7
107.04943	3.9
107.08585	38.0
109.02891	5.2
109.06509	10.0
109.10170	38.0
111.04424	6.2
111.08122	5.6
113.05960	4.6
117.06998	6.0
119.08604	27.0
120.08134	7.7
121.02881	28.3
121.06524	9.4
121.10146	28.9
123.04453	18.8
123.08053	10.9
123.11731	7.1
125.06014	7.8
125.09648	15.8
127.03933	16.2
127.07556	6.2
127.11190	14.7
131.04898	4.9
131.08620	8.3
133.10159	23.7
135.08061	5.1
135.11668	4.7
136.07561	5.9
137.05975	6.9
137.09624	26.4
139.11198	12.3
143.07114	4.2
143.08601	5.4
143.10663	3.8
145.08661	3.4
145.10104	8.6
147.04408	13.8
147.11676	19.1
149.09651	26.5
149.13249	10.9
151.11192	10.6
153.01793	3.5
153.05455	9.0
153.09097	7.7
154.05830	5.6
155.10651	11.6
157.10112	7.2
159.08127	3.4
159.11693	12.0
161.09590	5.5
162.34587	4.6
163.03928	5.5
163.11264	6.6
163.14821	3.5
164.07037	7.6
165.09070	4.8
165.12766	8.5
167.10680	26.5
167.14310	5.6
171.10245	8.7
171.11749	3.3
173.13289	4.9
175.11221	5.6
175.14806	5.8
177.05333	3.6
177.12817	6.8
179.10660	12.1
185.08115	11.3
185.11726	25.8
186.08430	13.9
187.14873	4.2
189.16499	6.8
195.02814	5.5
199.14825	7.3
205.15791	7.6
213.05530	4.1
215.07088	12.0
217.15886	14.8
223.16954	19.8
235.16911	38.9
253.04897	3.8
253.18004	70.9
258.05679	3.6
259.09723	4.7
271.06107	5.6
271.16638	4.4
271.19138	46.5
287.05548	94.6
288.05774	6.0
289.06186	14.8
289.11884	7.3
313.03348	9.2
313.06891	5.5
331.04416	11.4
391.08102	42.2
400.30487	3.6
433.09265	14.4
433.15393	5.5
451.10373	100.0
451.19904	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	451.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
57.03455	5.9
61.20131	1.1
65.03941	1.5
67.05513	2.2
68.99816	2.8
69.03448	2.8
69.13625	13.4
69.13955	2.8
73.02927	1.3
79.05505	2.0
81.03419	3.1
81.07071	2.6
83.25396	1.1
85.02924	20.1
91.05470	1.7
93.07044	2.0
95.04972	4.2
97.02905	3.5
97.06579	1.5
103.03914	1.5
105.07034	1.3
107.04976	2.0
107.08605	2.3
109.02913	5.7
115.05506	1.1
117.03401	1.7
119.08640	1.1
120.08087	1.6
121.02885	17.1
121.06528	2.2
123.04435	6.1
125.02367	2.4
127.03904	2.8
135.04448	4.4
137.02365	2.8
137.06030	2.9
138.41566	1.1
145.02875	3.2
147.04460	1.9
149.02414	3.0
151.03873	1.7
153.01884	7.5
163.03931	25.0
165.01866	43.4
165.34657	1.2
167.07036	1.5
167.10707	1.3
170.24832	1.3
171.02933	2.7
177.01857	15.8
177.05386	1.4
179.03528	2.0
183.02960	8.5
187.03914	2.9
189.01872	6.4
191.03418	25.3
195.02919	100.0
196.03348	1.7
203.03423	3.9
205.04942	3.2
207.02921	4.1
209.00826	1.2
215.03435	3.7
215.07024	2.3
217.01418	1.3
219.02913	39.7
231.02898	34.0
233.04466	5.1
235.16965	1.4
237.04155	1.5
243.02942	9.3
248.22978	1.3
249.04012	11.8
253.17990	1.4
259.09644	1.7
261.03979	21.0
279.05081	3.5
287.05518	5.4
288.06018	2.5
289.06625	5.1
297.06110	2.2
300.91620	1.3
301.07108	34.4
313.07138	19.2
325.06982	1.7
331.08176	23.3
355.08148	40.3
355.12393	2.6
367.08133	22.5
379.08301	8.2
385.09283	4.0
397.09244	11.7
415.10446	12.3
433.11133	3.3
451.10565	2.2
451.15887	20.7
451.21564	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
57.03436	2.3
59.80294	1.1
61.02934	1.9
62.82620	1.4
68.99793	3.5
69.03436	1.9
69.95645	5.9
73.02944	1.8
74.12247	1.2
75.36317	1.1
81.03419	3.4
84.70094	1.2
85.02905	11.5
88.18800	1.3
89.85873	1.2
95.04955	2.0
97.02912	3.7
103.03928	4.3
105.88853	1.3
107.04967	100.0
109.02924	2.5
119.04982	2.0
121.02879	16.8
123.04419	5.7
127.03909	1.6
135.04424	8.3
139.03928	9.2
145.02771	1.5
147.04422	2.0
149.02290	1.9
151.03923	4.5
153.01846	4.3
159.04550	1.2
163.03880	5.0
165.00563	2.2
165.01862	34.5
165.07092	2.5
167.03429	1.6
173.02374	13.9
177.01852	20.4
179.03357	3.3
183.02925	9.7
183.08083	4.3
187.03972	3.5
189.01888	7.6
191.03394	13.6
193.04912	2.0
195.02910	32.1
203.03389	1.7
205.05037	3.8
207.02858	1.5
211.07558	3.6
215.03441	6.0
215.06976	2.2
217.05029	2.2
219.02927	10.6
225.09131	1.7
231.02936	20.3
233.04497	6.0
235.05952	1.7
239.07072	18.4
241.05049	1.8
243.02950	3.1
243.06566	3.2
249.04022	7.0
253.08586	3.0
255.06520	4.6
257.08102	10.8
261.03961	6.9
267.06519	9.0
271.05963	1.5
281.08072	9.6
283.05963	2.8
284.06558	1.4
285.07574	24.5
289.06195	4.9
295.06042	7.5
299.05469	2.5
301.07080	30.6
309.07608	15.6
313.07104	23.7
323.09192	2.8
331.08127	18.8
333.93677	1.3
337.07062	5.2
339.08832	2.1
351.08548	7.7
355.08118	24.8
367.08188	16.9
369.09756	3.1
379.08170	7.2
385.09216	3.6
397.09354	9.6
415.10376	7.5
451.17676	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	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70547	0.7
57.03436	0.7
69.03427	3.5
70.55309	1.1
70.55682	1.3
71.11364	0.7
85.02915	4.0
87.04485	2.1
97.02917	3.9
100.07629	2.2
115.03941	2.9
119.01963	0.7
127.03904	1.2
133.05011	2.5
137.83395	0.6
140.93858	0.7
143.01930	1.2
145.03546	0.7
146.08122	1.6
157.03508	0.7
173.02994	1.1
185.02933	1.1
187.12979	0.7
202.95026	0.7
203.03986	1.1
205.05470	0.7
236.06845	0.8
245.05150	1.5
251.04352	0.6
253.07765	0.8
273.07291	1.5
291.86261	0.6
293.47458	0.7
306.11038	1.5
319.08795	1.2
324.11414	0.7
349.09894	1.9
350.10202	1.4
351.09985	1.5
365.07745	0.7
391.02441	0.8
433.03751	0.9
443.90079	0.7
451.04950	100.0
451.12256	13.5
452.05240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.124
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
51.44260	0.8
57.03442	7.5
61.11829	0.8
62.06081	1.1
65.03938	1.2
68.36237	0.9
68.99817	2.6
69.03432	1.7
71.22044	1.3
73.02919	2.0
79.05486	1.1
81.03429	3.1
85.02438	1.7
85.02914	23.3
91.05495	1.1
95.04957	4.2
97.02885	2.9
107.04960	1.6
109.02896	4.6
111.00827	1.0
111.04441	1.2
117.03376	1.9
119.04935	1.0
121.02877	16.8
123.04442	5.3
125.02363	3.5
129.64171	0.9
135.04434	5.1
137.02318	1.2
137.06029	2.1
139.03952	1.1
141.01819	1.6
145.02838	2.4
147.04433	2.8
149.02353	3.2
151.03931	1.5
153.01837	7.6
163.03909	21.4
165.01843	50.1
168.35786	0.8
171.02896	1.5
175.03923	2.5
177.01854	14.6
177.05467	1.5
179.03430	2.3
183.02921	11.8
187.03928	2.1
189.01848	6.2
191.03404	25.7
193.01340	1.6
195.02905	100.0
203.03426	4.6
205.05048	2.9
207.02876	1.5
215.03442	4.0
215.06975	1.4
217.01224	1.3
219.02905	38.9
231.02904	28.9
233.04485	2.5
243.02885	8.8
249.03966	7.8
261.03961	24.5
279.05005	8.1
287.05637	2.9
289.06891	3.5
295.06229	1.0
297.06110	1.7
301.07092	37.3
313.07031	18.8
325.07098	1.6
331.08133	21.3
348.60376	0.9
355.08148	32.1
367.08130	21.0
379.08133	7.9
385.09164	4.0
391.08157	1.4
397.09213	10.5
415.10449	12.3
433.10892	1.9
451.10291	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01873	8.2
55.05505	5.2
57.03440	5.2
59.05014	2.8
61.02919	4.6
67.05500	5.9
69.03436	22.7
69.07063	9.8
71.04991	5.3
71.52541	3.5
73.02925	7.6
79.05495	6.6
81.03426	23.3
81.07068	15.1
83.04974	3.1
85.02911	59.4
85.06561	2.5
87.00837	28.2
87.04491	2.2
89.06087	2.0
91.03959	3.0
91.05487	6.9
93.07043	24.7
95.04973	6.4
95.08603	10.4
97.02905	37.6
97.06525	13.8
98.06855	3.6
99.04481	9.5
105.01871	35.1
105.07036	6.5
107.08602	24.4
109.02879	20.9
109.06515	2.2
109.10172	7.0
111.08094	1.9
116.07096	3.3
117.01850	3.1
119.08572	4.6
121.10159	27.3
123.11744	10.8
127.03936	49.9
129.01852	3.2
133.10149	2.9
135.11725	2.0
137.07849	2.4
145.04961	28.7
145.10094	2.5
149.13268	100.0
151.14842	3.7
159.02875	12.2
165.12752	14.1
167.14331	25.6
177.05408	2.2
191.13690	1.8
194.59346	2.1
212.37157	1.7
213.04034	2.2
231.04982	14.3
235.16974	1.9
241.75511	1.8
249.06042	2.9
272.09970	2.0
275.16241	2.1
287.05569	3.9
288.05841	7.3
288.08643	2.6
368.15463	2.2
386.16840	3.0
450.24780	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3631
Annotation	Numersterol A
Peak:m/z	Relative Intensity
53.03929	1.4
55.01871	1.6
55.05271	1.9
55.05518	22.8
57.03447	2.1
57.07084	41.5
65.03960	1.8
67.05511	13.3
68.99809	3.4
69.03436	2.7
69.07079	40.6
69.07459	2.0
71.02132	2.2
71.08637	30.6
79.05511	12.0
81.07066	32.8
83.01341	1.7
83.05003	2.0
83.08633	27.3
85.02927	1.8
85.10207	14.0
87.74631	1.3
91.05476	11.4
93.07045	12.4
95.04969	5.8
95.08622	34.3
97.06556	2.5
97.10184	16.2
99.04465	39.9
99.11738	1.7
99.70437	1.5
105.07038	16.7
107.04977	2.2
107.08622	10.7
109.06520	12.1
109.10159	17.3
111.04454	16.8
111.08133	1.5
111.11713	8.3
113.06019	16.4
117.07069	2.5
119.08585	10.2
121.06532	2.1
121.10162	4.0
123.04504	2.6
123.08077	10.5
123.11718	7.8
125.06009	58.2
125.13309	2.5
130.07814	1.5
131.08572	3.6
133.06479	2.2
133.10129	6.8
135.04453	4.4
135.08066	5.9
135.11708	4.2
137.05991	14.6
137.09647	4.0
137.13284	2.6
139.07565	5.2
141.05466	2.3
143.08562	1.9
145.10158	3.5
147.08055	2.7
147.11699	6.5
149.06030	3.2
149.13275	2.5
151.03932	6.1
151.07564	14.4
151.11203	1.7
151.54413	1.5
153.05530	5.4
157.10175	2.3
159.11763	3.5
161.09682	3.8
161.13284	4.3
163.07578	20.6
163.11191	2.2
163.14983	1.3
165.09140	5.0
165.16423	2.0
167.07077	3.1
169.05025	6.9
171.11795	1.8
173.13293	2.5
175.11244	4.5
175.14850	3.5
177.09126	3.9
177.12762	1.7
178.09871	1.8
179.10713	4.7
179.14352	1.3
181.12247	1.7
183.06650	2.3
189.12828	2.8
191.10767	4.1
193.12308	4.6
195.11662	1.9
203.10728	3.0
207.10115	2.0
207.13907	2.1
217.12292	4.9
231.17580	1.6
235.13252	2.9
249.18552	1.7
287.23727	1.4
301.28986	8.9
305.21146	2.0
319.30103	5.1
333.31540	3.0
343.33661	2.1
359.29504	3.4
361.30527	1.5
371.32974	1.8
385.34573	4.9
389.34338	9.2
403.35751	88.9
404.36172	2.6
413.34161	14.5
417.35254	5.9
431.35251	81.6
449.36328	100.0
450.36807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01881	0.2
57.03437	0.4
61.02935	5.7
65.37849	0.3
68.99799	0.5
69.03424	0.9
69.48429	1.6
71.04996	0.3
73.02917	1.4
79.05487	0.4
79.34045	0.2
81.03419	0.3
81.07076	0.4
83.09036	0.3
85.02917	4.9
91.03965	2.9
97.02899	2.5
98.20640	0.2
99.04443	0.3
105.03429	0.4
107.04951	0.4
109.02886	0.4
111.00811	0.6
115.03955	0.4
121.02879	2.9
125.09658	0.3
127.03936	1.1
127.07610	0.3
129.43584	0.2
133.02847	0.5
134.09723	0.2
137.02370	0.7
141.59521	0.2
145.04987	0.9
145.71199	0.2
147.04393	0.5
153.01866	3.3
157.06479	0.4
161.05991	0.2
165.01883	1.6
183.02925	0.7
185.06017	0.4
188.96069	0.2
213.05527	1.6
231.06537	0.7
241.05014	0.8
258.05273	1.0
259.06152	0.4
269.04407	0.3
287.05527	100.0
288.05875	1.1
299.05441	0.6
303.04968	0.5
329.06607	0.7
340.00958	0.2
353.06543	0.6
413.08362	0.3
431.09601	0.3
449.10757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1085
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03918	0.4
57.03413	0.7
58.25232	0.3
61.02878	6.2
68.99747	1.1
69.03432	1.5
69.31523	1.5
69.31932	0.9
70.06561	0.3
73.02866	1.5
79.05464	0.5
81.03369	0.9
81.07007	0.7
83.04947	0.4
84.08123	0.6
85.02918	6.0
86.09677	0.6
91.03961	3.6
91.05444	0.5
97.02908	3.2
97.06439	0.3
105.03339	0.3
105.07010	0.6
107.04926	0.5
109.02827	0.6
111.00759	0.8
115.03905	0.3
117.07005	0.3
119.08554	1.0
120.08032	0.9
120.08827	0.3
121.02894	3.0
121.10132	0.6
123.04382	0.6
124.07634	0.3
125.09570	0.3
127.03867	1.4
129.06952	0.4
133.02872	0.3
135.04384	0.4
137.02303	0.8
137.05945	0.7
145.04927	0.8
147.04364	1.1
147.11488	0.3
153.01836	4.0
156.75250	0.3
161.05876	0.4
165.01869	1.5
165.05432	0.9
183.02861	0.8
183.13724	0.5
185.05925	0.7
189.05469	0.4
213.05392	1.7
219.06577	0.5
231.06586	0.9
238.01881	0.3
241.04930	0.9
258.05209	1.2
269.04462	0.7
270.04837	0.5
271.05185	0.6
285.07324	0.5
285.10019	0.5
286.08020	0.8
287.05524	100.0
287.12347	10.7
288.05875	2.1
316.17453	0.3
382.55344	0.4
431.15253	0.7
449.17944	14.7
449.27887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03429	0.4
61.02933	6.3
65.03949	0.2
68.99797	0.7
69.03429	1.0
70.95725	0.4
71.04984	0.2
73.02924	1.7
75.33028	0.2
79.05499	0.4
81.03416	0.5
81.07052	0.4
85.02912	5.5
87.04476	0.2
91.03963	3.2
97.02894	2.7
99.04491	0.2
101.02475	0.2
105.03396	0.4
107.04969	0.4
109.02895	0.5
109.24844	0.2
111.00837	0.6
115.03917	0.3
121.02882	2.7
127.03932	1.1
133.02895	0.3
135.04384	0.3
136.07591	0.6
137.02333	0.7
141.06932	0.2
145.04961	0.7
147.04416	0.6
152.07224	0.2
153.01855	3.5
157.06512	0.5
164.07076	0.7
165.01854	1.8
171.04376	0.3
176.25470	0.2
183.02914	0.8
183.13777	0.3
185.06023	0.5
186.70001	0.2
192.69516	0.2
201.30975	0.2
203.07222	0.2
204.22726	0.2
213.05489	1.5
231.06432	0.9
241.04980	0.9
255.16026	0.2
258.05280	1.0
259.06033	0.9
261.40182	0.2
287.05521	100.0
288.05878	1.7
299.05634	1.1
300.06161	0.2
302.04236	0.4
313.06992	0.3
317.06616	0.6
325.06842	0.2
329.06610	0.6
349.68652	0.2
353.06607	0.8
379.03754	0.2
413.08658	0.2
431.09296	0.3
449.10974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1447
Annotation	Homobutein 4-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
53.60709	0.3
55.01871	0.9
55.05503	0.6
57.03434	0.8
59.63242	0.3
60.04077	0.3
61.02937	2.2
63.03284	0.3
63.65355	0.3
65.03941	0.4
67.05516	1.6
68.99791	1.2
69.03434	1.8
69.07075	1.6
71.04975	0.6
71.52380	0.4
71.52767	0.4
73.02919	0.4
79.05511	1.8
80.41476	0.3
81.03429	0.9
81.07069	3.2
82.07394	0.6
83.04974	0.6
83.08615	0.5
85.02907	3.5
85.06536	0.5
91.03962	0.8
91.05481	2.5
93.07046	1.3
95.04968	1.0
95.08628	1.9
97.02890	1.5
97.06546	3.3
99.04430	0.6
105.07018	1.4
107.04945	2.5
107.08595	0.9
109.02849	0.7
109.06528	0.8
109.10155	1.5
111.04449	0.5
118.96806	0.3
119.04942	2.0
119.08559	0.9
121.02882	0.7
121.06522	3.1
121.10138	1.0
123.04445	5.5
123.08065	0.4
123.11675	0.9
125.02370	1.4
125.06020	0.4
127.03917	1.3
129.07045	0.6
131.04947	0.4
131.08594	0.8
133.06508	1.2
133.10138	0.4
135.04407	3.2
135.11667	0.4
136.07607	0.6
137.02303	1.0
137.05977	3.4
137.09674	0.4
139.03926	0.8
141.05447	1.0
143.08493	0.5
145.05115	0.3
145.06474	0.5
145.10112	0.4
147.04419	25.0
147.11720	1.6
148.05234	1.6
148.12015	0.6
149.05998	4.5
151.07487	0.3
153.05482	0.6
153.06946	0.5
157.06476	0.4
159.11571	0.4
161.05991	1.4
161.09587	0.4
161.13274	0.4
163.03928	13.0
164.04443	0.4
164.07048	1.0
165.05495	5.1
165.06889	0.7
165.12773	0.6
166.13188	0.5
169.10126	0.5
171.08057	1.1
177.05490	13.3
178.06276	2.9
181.05051	0.4
181.06445	1.7
182.07298	0.4
185.06020	0.7
186.06770	0.5
187.07430	0.4
189.05560	1.8
193.04977	14.9
193.08615	0.4
195.06493	1.1
195.08096	0.7
197.06029	0.7
198.06805	1.6
199.07581	1.2
201.05412	0.5
201.09096	0.5
209.05957	1.2
210.06714	0.9
211.07576	1.1
213.05455	0.7
213.09103	1.4
216.07793	0.4
217.08575	0.7
219.91000	0.3
223.07587	0.7
225.09167	0.4
226.06158	2.3
227.07098	2.0
229.04939	0.4
232.28052	0.3
236.04616	0.4
237.05460	1.4
238.06215	2.1
239.10672	0.6
241.08623	6.2
251.06950	0.8
252.07816	0.7
254.05836	0.6
255.06468	0.4
257.04480	1.6
259.09653	2.9
269.08102	20.5
269.21017	0.6
270.08481	0.4
272.06821	2.4
285.17087	0.4
286.17291	0.5
287.05664	7.9
287.09137	100.0
288.09491	1.1
297.14777	0.5
299.05341	0.5
339.15771	0.8
355.04395	0.4
367.15109	1.0
377.13989	0.4
385.16263	0.8
395.14951	0.4
449.14484	3.0
449.22311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01884	0.4
67.05511	0.1
68.99821	0.4
69.03429	0.2
70.56179	0.3
73.02934	0.2
79.05503	0.1
81.07076	0.2
81.95107	0.1
85.02905	0.3
89.03931	0.1
97.02908	0.2
105.07024	0.1
107.08618	0.1
109.10155	0.1
117.03448	0.1
129.01869	0.1
133.10191	0.1
135.04413	1.3
137.02354	0.5
153.00591	0.3
153.01840	4.7
161.02373	0.4
162.22519	0.1
171.02898	0.3
179.03357	0.3
203.03365	0.1
219.06801	0.1
231.06564	0.2
241.04916	0.6
257.19666	0.1
268.95200	0.1
269.04462	0.4
287.05508	100.0
288.05853	1.5
303.04834	0.2
317.06531	0.3
319.67303	0.1
449.10739	3.8
449.16763	0.2
449.23697	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	449.1081
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
50.52532	0.1
55.01846	0.2
55.05501	0.1
57.03418	0.2
61.02903	0.3
62.78679	0.1
67.01828	0.5
67.05475	0.3
68.93353	0.1
68.99776	0.4
69.03394	0.4
69.07053	0.2
70.06583	0.2
71.52388	0.2
71.52764	0.2
73.02879	0.2
77.25046	0.1
79.05504	0.2
80.09457	0.1
81.03383	0.4
81.07022	0.5
82.11050	0.1
82.61556	0.2
83.04952	0.3
84.08138	0.2
85.02908	0.9
86.09689	0.2
91.05405	0.2
93.07047	0.2
95.08572	0.3
97.02866	0.5
97.06442	0.2
105.07017	0.3
107.08590	0.2
109.02837	0.4
111.04442	0.2
114.79954	0.2
116.08450	0.1
119.08540	0.2
119.99136	0.1
120.08077	0.3
121.10136	0.2
122.16136	0.1
127.03925	0.2
131.08548	0.2
133.10115	0.1
135.04424	1.6
136.07588	1.2
137.02353	0.7
145.10040	0.3
147.04373	0.7
152.07037	0.3
153.01830	5.1
161.02296	0.6
164.07037	1.3
171.02937	0.2
177.05533	0.2
179.03326	0.3
192.54689	0.2
219.06502	0.2
228.38165	0.2
235.75291	0.1
241.04959	0.4
259.06207	0.2
269.04471	0.4
286.04562	0.2
287.05499	100.0
288.05731	1.5
303.05078	0.3
317.06583	0.6
329.06625	0.2
449.10809	23.9
450.10959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03957	0.3
57.03440	0.5
61.02932	6.8
68.99797	0.7
69.03440	1.2
70.75446	0.4
73.02922	1.5
81.03426	0.4
84.79815	0.2
85.02915	5.2
86.56800	0.2
90.05049	0.2
91.03961	3.3
97.02899	3.4
98.21139	0.4
99.04443	0.4
105.03385	0.4
105.66022	0.2
107.04964	0.4
109.02883	0.4
111.00817	0.8
115.03905	0.4
121.02879	3.3
127.03902	1.1
133.02811	0.5
137.02347	0.9
145.04953	0.7
147.04398	0.4
153.01851	3.8
154.90707	0.2
157.06505	0.2
165.01839	1.7
171.04439	0.3
181.66315	0.2
183.02904	0.6
185.06000	0.6
209.05652	0.2
213.05489	1.2
217.04982	0.2
220.17656	0.2
222.94626	0.2
229.04916	0.2
231.06558	0.8
241.05090	0.5
258.05304	1.1
259.06027	0.5
269.04395	0.3
286.04663	0.3
287.05521	100.0
288.05743	1.3
299.05554	1.6
311.05484	0.3
325.07330	0.2
329.06528	1.2
339.08606	0.3
353.06573	0.8
383.07455	0.3
397.27817	0.2
413.09052	0.3
431.09714	0.3
438.02026	0.3
449.05215	0.2
449.10904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43352	0.5
55.05515	0.7
57.07084	5.7
58.06594	1.1
63.22270	0.5
67.60708	0.5
70.06599	15.2
71.08628	2.3
71.25458	0.6
71.25785	0.6
75.39628	0.5
75.88514	0.5
78.72911	0.7
85.10138	0.6
88.07639	18.2
90.12093	0.5
91.05479	1.7
92.54050	0.5
94.32606	0.5
95.08641	0.5
97.06551	1.2
102.08568	0.9
102.09195	11.7
104.02625	1.8
114.27381	0.6
119.04948	1.5
121.10187	0.6
132.02075	5.7
136.01575	4.8
147.04425	20.8
148.05191	2.3
175.03918	37.8
176.04677	2.1
180.04198	8.1
191.07040	2.7
193.05002	1.3
199.59654	0.5
212.23744	0.5
219.06540	64.5
238.09689	0.6
256.26370	40.5
257.26624	0.8
270.37445	0.6
301.01407	0.6
448.30612	100.0
449.30746	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25487	0.5
55.01855	1.1
56.05015	1.3
57.03418	0.9
57.15217	0.4
60.05631	1.3
67.05481	0.5
68.05010	0.5
69.03418	1.2
70.06576	1.3
71.47780	0.6
72.08134	1.2
72.08508	0.4
73.02890	0.7
73.91013	0.4
74.09363	0.6
74.09725	8.5
79.05478	0.7
81.03407	0.9
83.06083	2.0
84.04485	0.9
84.08115	0.5
85.02901	1.1
86.06052	1.5
86.09708	0.7
91.05476	0.8
92.04990	0.7
93.07072	0.6
95.04986	0.4
95.06129	0.5
95.08598	1.4
97.02867	0.6
97.07635	0.6
100.07637	0.7
105.03382	1.7
105.05741	0.6
106.06535	1.0
110.09677	0.4
111.05573	5.0
113.07121	1.1
116.07062	0.6
118.06525	0.6
120.03641	0.7
120.04472	13.6
120.08092	0.8
121.02880	0.4
123.04401	0.4
123.05563	0.9
124.07624	0.4
126.06643	8.5
127.03942	3.3
127.07392	1.1
128.07082	0.5
129.05516	2.8
132.04462	19.6
132.07996	0.6
133.05289	0.6
134.06032	8.0
136.07574	1.5
137.04698	2.1
137.05733	0.4
138.09149	5.1
140.08168	1.0
144.06541	1.3
145.03937	0.7
145.83774	0.4
146.02327	0.7
147.04378	1.2
147.05447	0.5
151.06160	9.1
154.08600	1.9
157.09694	0.4
158.05975	0.5
159.05511	0.6
165.09123	0.7
166.08653	7.4
166.55780	0.5
168.08803	2.5
179.85452	0.4
185.07088	0.6
202.09758	12.1
202.11668	0.6
208.80322	0.5
215.08263	0.5
216.11328	3.3
227.09225	0.6
230.09264	8.5
231.12373	1.0
232.10834	4.0
240.12334	4.4
242.09244	4.7
257.10382	5.4
259.11923	74.1
260.12186	1.3
277.12976	2.3
284.11374	6.3
301.14059	5.5
302.12497	27.4
303.12878	0.7
319.15311	2.2
322.68665	0.4
360.16440	0.6
362.18173	0.9
406.11896	0.8
406.17233	11.9
430.17978	1.6
431.16971	0.7
448.19421	100.0
449.19571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01870	2.0
57.03442	2.1
67.05508	3.9
67.13830	0.8
69.03439	2.0
69.07072	8.6
69.79758	5.1
74.09688	1.0
79.05505	10.6
81.07059	2.7
83.05000	2.4
85.02911	1.3
91.05479	1.0
93.07021	1.3
95.04993	1.6
95.08613	1.6
97.06539	100.0
98.06864	3.3
105.07036	1.7
109.10207	0.9
121.10102	1.2
158.07338	1.7
159.07997	1.1
167.08595	1.9
173.05977	2.7
177.05525	1.2
179.08562	1.3
181.10077	0.9
183.08060	1.8
185.05992	1.2
187.07564	2.0
188.08340	9.8
195.08083	2.9
197.06046	1.3
197.09743	1.2
199.07578	2.1
201.09093	1.7
205.10172	1.2
206.09361	1.0
207.08070	1.3
209.06009	1.1
209.09607	2.4
211.07550	3.0
212.08414	1.6
213.09105	1.7
219.10220	0.9
221.06165	0.9
221.09720	1.4
223.07579	3.1
223.11148	2.2
225.09149	6.3
227.10645	2.3
235.07542	1.8
237.09143	1.5
240.11401	1.6
241.12180	1.2
251.07034	1.8
251.10608	1.5
253.08583	2.6
253.12283	1.3
255.10265	1.0
256.14594	2.2
257.04318	1.3
265.12344	1.4
266.13068	3.0
267.06683	1.0
267.10278	1.4
269.08090	3.4
271.09674	1.5
277.08295	0.9
277.12094	1.1
279.13806	2.2
281.08130	4.0
284.14078	30.4
286.07877	1.2
287.05490	1.6
295.09695	2.4
297.07693	1.7
299.09143	3.6
302.15213	4.6
305.11969	1.1
307.13290	2.9
308.14285	1.7
309.07785	2.3
309.11319	2.8
321.14825	4.6
323.12759	3.2
323.16473	4.3
325.14560	1.3
335.12772	1.6
338.14676	1.2
339.16028	3.1
349.14352	3.1
351.12369	6.7
353.13702	4.3
367.15472	10.0
369.13104	2.0
369.17145	2.3
377.13773	9.7
384.15146	6.9
385.16409	2.0
395.14938	36.3
413.15854	6.7
416.13144	1.1
429.72116	1.0
430.16058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3472
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03927	1.6
53.61899	0.7
55.05513	15.1
55.70873	0.8
57.07080	9.4
67.01848	1.0
67.05518	5.5
69.03418	1.0
69.07076	26.9
69.36068	4.0
69.36478	1.6
71.05003	0.9
71.08620	4.7
79.05503	1.4
81.07065	12.1
83.04971	1.5
83.08623	14.4
85.06538	1.5
85.10162	2.6
91.05486	2.7
93.07053	8.0
95.04932	1.4
95.08626	12.1
96.38724	0.8
97.10180	8.8
101.60896	0.8
107.08595	2.2
109.06511	3.2
109.10175	6.2
111.11752	4.5
115.05470	0.9
117.06976	1.0
119.08581	2.8
121.06512	1.9
121.10116	1.7
123.08067	2.6
123.11701	4.0
125.13292	1.8
131.08556	0.8
133.06497	0.9
134.54268	0.7
135.08046	3.0
135.11703	1.4
137.05971	13.3
137.13275	1.9
139.03906	1.3
139.07552	3.4
141.05519	1.2
143.08571	1.6
147.08049	2.8
149.05989	3.3
149.09610	1.1
151.07561	26.4
157.10143	1.8
159.08049	1.8
159.11707	1.2
161.06001	3.3
161.09647	2.4
163.07556	1.9
163.14969	0.9
165.05484	10.2
165.09135	7.9
167.07050	100.0
175.07539	2.8
175.11197	2.0
177.09132	5.6
179.07077	3.0
179.10670	1.9
181.08635	4.7
185.09700	0.9
187.07712	1.0
189.09160	6.2
191.07042	3.4
191.10728	1.6
192.07811	1.3
193.08669	4.6
195.10220	1.0
201.09138	1.8
203.10707	4.3
205.08612	12.0
205.12248	2.8
207.10184	9.3
215.10753	2.1
217.12279	2.9
219.10139	5.2
221.11703	4.3
229.12245	1.4
231.13815	1.3
233.11729	3.2
235.13226	2.2
247.13341	1.0
277.18103	1.3
291.19513	1.9
292.06177	0.8
303.90179	0.8
310.63818	0.7
319.22696	1.2
347.25876	1.1
373.27100	1.0
374.09821	0.8
389.17593	1.7
401.34286	1.7
403.19000	1.1
404.19775	1.3
411.32541	5.0
419.22559	4.3
429.33731	22.0
447.21738	15.4
447.28189	2.0
447.34705	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3837
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05516	46.8
57.07079	73.9
67.05495	4.8
69.07076	100.0
71.08642	62.7
72.74226	3.5
78.58984	4.4
81.07058	15.3
83.08624	66.1
85.10194	33.1
85.33505	3.5
86.97218	3.7
92.91188	4.3
94.22904	3.6
95.08621	12.4
97.10175	62.2
104.57751	3.8
107.08617	6.6
109.10155	5.9
111.11724	53.8
113.13306	4.2
119.08571	5.0
125.13271	20.7
135.08015	9.5
137.09540	5.2
139.07562	24.6
139.14824	6.0
149.02365	42.8
149.09642	8.2
151.07568	12.2
153.09138	13.9
163.11169	4.3
165.09125	64.4
167.03339	5.2
169.08687	8.0
177.09128	7.7
181.08647	38.3
191.10722	7.5
191.26636	4.5
200.20271	4.3
205.12204	8.0
340.06802	4.3
341.51627	5.7
423.02420	4.5
429.37390	25.9
430.38379	6.2
447.28317	6.2
447.38400	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15552	2.0
53.03955	2.7
55.01878	4.2
55.05516	14.8
57.03439	19.9
57.07067	7.5
67.05188	2.6
67.05515	42.8
69.07071	20.0
70.12628	8.3
70.39301	2.0
71.08639	4.2
79.05502	21.3
81.07061	54.2
83.08636	8.7
85.95589	1.9
89.06051	2.6
91.05481	14.4
91.11274	2.3
93.07058	31.9
95.08614	39.8
97.06521	3.0
97.10178	7.2
98.98473	13.0
99.49162	2.3
105.07037	11.4
107.08600	18.3
109.10174	15.7
113.00027	75.6
117.07012	3.8
119.08591	9.7
121.10139	14.8
123.11704	10.1
129.05571	2.5
131.08589	7.3
133.08534	2.8
133.10144	8.8
135.11694	9.2
137.00024	10.5
137.05984	4.3
145.10135	5.3
147.11713	5.1
149.13297	5.8
155.00993	12.0
159.11624	2.8
163.14836	5.5
169.02638	20.9
173.13248	3.5
184.35823	2.3
187.03690	4.6
193.02603	3.3
224.88745	2.2
237.22136	2.6
243.21162	5.8
248.56876	2.1
261.22159	13.3
311.25858	10.5
317.24854	4.6
335.25821	100.0
336.26184	2.5
403.35617	4.9
447.25586	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
53.03937	0.3
55.01865	0.2
55.05492	0.8
57.03429	0.2
57.07078	6.5
67.05493	0.6
69.03413	0.6
69.07053	0.7
69.14011	1.1
69.14433	0.8
71.08636	4.7
73.80388	0.2
79.05486	0.4
81.07072	0.9
81.80437	0.2
83.01329	0.6
83.04980	0.3
83.08617	0.4
85.06513	0.2
85.10191	1.8
91.05468	0.4
93.07018	0.8
95.01336	1.7
95.08588	0.6
99.00819	9.1
99.04460	1.5
105.07084	0.2
105.44375	0.2
107.04913	0.5
107.08578	0.8
109.02883	1.1
109.06518	0.4
109.10174	0.3
111.04451	0.3
111.08018	0.2
113.02374	2.1
113.05998	0.3
117.01853	1.0
117.07034	0.2
119.08585	0.3
121.06524	0.5
121.10122	0.5
123.04427	0.3
123.08061	0.2
125.06030	1.0
127.00259	0.3
127.03899	0.2
131.08615	0.4
135.04442	1.1
135.08055	1.0
135.11600	0.2
137.05997	1.1
137.13211	0.2
139.01053	0.2
139.07535	0.2
145.10114	0.4
149.06027	0.9
149.09612	0.6
151.07515	0.6
153.05466	2.9
155.07048	0.3
159.08017	0.3
159.11702	0.3
163.07539	2.1
163.11145	0.4
165.05396	0.2
167.07091	0.2
169.04897	0.3
177.05428	0.4
177.09122	2.0
179.07050	0.2
181.04961	13.8
183.06570	1.2
191.07045	1.4
191.10689	0.8
193.08568	0.2
195.06535	29.5
196.06870	0.3
199.06021	0.3
205.08656	1.1
205.12267	0.5
209.08098	16.3
219.10164	0.5
222.07581	0.4
223.09663	16.2
233.11842	0.3
237.11224	12.7
248.53517	0.2
251.12788	9.5
265.11655	0.3
265.14349	4.7
279.15964	2.3
293.17480	2.2
307.19061	1.8
313.27658	0.2
316.44098	0.2
321.20477	1.5
335.09216	0.2
335.22247	0.9
342.57315	0.2
349.23672	0.6
363.25253	0.7
377.26880	0.5
391.28412	0.8
401.33841	0.3
405.30151	0.3
413.55914	0.2
447.34708	100.0
448.35077	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Rhamnocitrin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01911	1.4
55.05518	2.6
57.03452	6.8
57.03697	0.5
61.02671	0.9
61.02935	3.5
67.05518	4.1
67.33577	0.5
68.78267	0.5
69.03442	4.8
69.07088	3.2
70.86436	1.2
71.01373	0.7
71.05003	4.5
73.02931	5.4
75.04495	15.1
78.95683	0.5
79.05511	4.0
81.03426	2.8
81.07073	8.4
83.05038	2.3
83.08682	1.1
85.02921	11.5
87.04500	0.6
91.04025	2.0
91.05489	3.8
93.07083	3.1
95.05045	0.8
95.08621	3.5
95.21346	0.5
97.02934	3.6
97.06549	10.1
99.04493	1.3
99.08166	0.7
100.65779	0.6
101.02424	0.8
105.07047	4.4
107.08627	3.0
109.02942	1.5
109.06545	1.2
109.10216	1.9
111.04491	1.1
114.88690	0.6
119.08614	3.1
121.10172	2.7
123.04523	1.7
123.08156	0.8
123.11736	3.8
125.02380	0.5
125.06081	0.8
127.03931	3.3
127.07664	0.6
128.06311	0.7
129.05560	1.2
129.07028	0.8
131.08644	0.8
133.10240	1.8
143.08693	0.8
145.05061	0.9
145.10210	1.4
147.11711	7.5
149.02394	0.6
149.06006	0.5
149.13274	0.6
151.07634	1.8
153.05548	1.0
153.12762	0.5
157.10213	1.5
159.11702	0.6
161.05943	0.7
161.13350	0.7
163.11101	0.6
165.12805	4.2
167.07094	0.6
168.00557	3.9
173.06049	0.6
177.05586	0.6
183.08049	0.7
183.13910	1.0
184.05341	0.9
186.01654	1.4
187.07722	0.6
193.08684	1.1
193.12329	0.8
199.07475	0.7
212.04655	0.5
213.05534	0.9
213.09193	0.9
215.14507	0.6
217.08711	0.5
223.07701	0.6
225.09157	0.8
229.05159	0.7
229.14368	2.6
239.07045	0.7
241.05045	0.6
241.08632	2.2
255.56323	0.6
258.05286	3.0
267.15988	5.2
268.03830	0.7
268.38815	0.5
269.04446	4.1
269.11734	0.7
270.05270	6.0
271.09634	0.7
281.47009	0.6
285.04068	6.1
285.07642	21.3
285.16940	5.7
286.04776	53.1
287.05261	0.8
293.12076	0.7
297.07761	1.3
301.07126	100.0
302.07468	0.8
313.14490	1.3
319.13098	0.6
327.08673	0.8
327.12387	0.7
337.14194	0.9
339.12152	1.0
339.16003	0.7
341.14069	0.6
349.03583	0.5
357.17136	0.6
364.69540	0.6
365.13864	1.3
383.14954	7.3
401.16183	1.0
411.14703	1.2
429.15613	1.1
429.20993	0.8
447.12784	18.6
447.21591	3.7
447.31146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Derriscandenoside A
Peak:m/z	Relative Intensity
53.03947	1.8
55.01879	2.1
55.05505	1.0
57.03433	6.3
59.04991	1.4
60.60070	0.8
61.02935	4.2
67.05497	4.0
68.99773	1.5
69.03439	14.0
69.07059	1.1
70.06586	2.9
71.01368	6.7
71.04980	1.6
71.51035	0.8
72.08159	2.5
73.02911	3.0
76.02242	1.0
79.05499	2.0
81.03430	6.2
81.07040	2.3
83.04975	2.6
84.04527	0.9
84.08124	1.5
85.02914	13.4
86.09721	7.0
87.00830	1.1
87.04465	3.6
89.03885	0.8
89.06029	3.3
90.61554	0.9
91.05475	3.2
93.03382	1.4
93.07019	2.9
95.01334	2.1
95.04956	3.3
95.08595	1.4
97.02902	8.2
97.06535	1.2
99.04462	2.4
102.05553	1.0
103.03932	3.2
105.03401	0.8
105.07038	3.0
107.04948	3.2
107.08566	2.1
109.02872	3.7
109.06516	2.0
109.10113	1.4
111.04453	2.8
115.03902	2.7
117.05528	2.5
119.04955	2.1
119.08572	2.1
121.06505	2.4
121.10157	2.6
123.03584	1.3
123.04440	17.9
123.08031	1.5
124.07573	1.0
125.02338	4.5
125.05994	1.7
127.03904	5.6
129.05475	3.3
130.05800	1.7
131.08597	1.4
133.04967	1.3
133.08609	2.2
133.10162	1.4
134.03596	1.8
135.04413	3.0
135.08061	1.9
135.11623	1.4
136.07524	0.9
137.02333	1.1
137.06000	3.5
139.03912	1.4
143.03381	2.5
145.04980	1.6
147.04436	21.2
148.05234	1.2
149.02342	2.5
149.05984	2.6
151.03903	5.6
153.05469	5.0
159.04366	1.0
161.05983	2.0
162.03134	1.2
163.03918	5.9
163.07568	1.4
165.05470	2.3
167.06995	4.2
171.08040	1.5
172.05122	1.2
173.12886	1.0
175.03888	1.2
177.05463	8.2
179.10684	0.9
181.06447	1.8
181.08690	0.9
185.06023	1.3
186.06693	1.4
187.07460	1.2
189.05438	2.9
193.04984	4.4
197.05991	4.5
198.06810	1.2
199.07629	1.1
200.04694	1.8
201.05492	6.5
205.04939	2.1
209.06128	1.4
212.47481	1.0
213.05495	1.7
214.06250	2.6
215.07014	1.6
217.08377	1.2
219.13757	1.1
225.05476	5.2
226.06294	1.2
229.08574	4.2
232.14182	1.0
233.14780	0.9
237.05486	2.1
241.08578	2.2
242.05711	3.8
243.06569	2.1
243.08830	1.8
244.09441	1.4
249.14648	0.9
252.04308	1.2
253.04951	6.7
254.05643	1.8
255.06543	1.9
257.08154	4.2
259.09235	0.9
267.06454	1.6
267.15842	2.2
269.04724	1.4
269.08081	7.8
270.05267	23.5
270.08524	1.4
271.06018	1.1
272.06659	1.1
282.05042	1.5
283.05960	3.5
285.07596	100.0
286.08105	2.1
287.09183	25.2
295.06122	1.2
296.06772	2.2
297.07587	20.4
299.09207	5.2
307.08255	1.1
308.09155	1.4
313.07074	6.4
315.08740	1.7
315.13379	2.5
316.14203	1.8
323.09335	1.1
325.09189	2.2
327.08673	9.0
339.08612	1.4
341.10321	1.0
351.08701	1.1
365.10248	2.2
369.09879	1.4
381.09717	1.9
393.09537	2.3
399.15247	1.1
411.10757	2.1
412.22610	1.0
429.11633	4.2
429.16623	3.4
447.12778	46.3
447.17795	7.2
448.13184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01847	1.0
55.05513	1.1
57.03198	0.9
57.03444	11.7
59.04998	0.7
61.02919	2.9
67.05524	0.7
69.03419	1.8
70.06578	0.9
71.04974	1.1
71.51344	1.0
72.08158	1.0
79.05489	1.6
81.03420	2.5
81.07060	1.5
82.06590	0.7
83.04970	1.5
85.02913	5.7
86.09705	2.6
91.05472	2.1
93.07053	2.2
93.38888	0.6
95.04967	0.9
95.08602	1.2
97.02885	1.7
97.06510	1.1
99.04472	5.6
103.03958	6.8
103.74622	0.7
105.07018	2.5
106.04157	0.8
106.40858	0.6
106.69593	0.7
107.04930	2.0
109.02873	3.3
109.06557	1.0
111.04414	0.8
115.03881	0.7
117.05506	32.6
119.08622	1.0
121.06487	2.1
121.10127	1.0
123.04415	3.4
123.08087	1.1
124.05193	1.0
127.03930	5.3
129.77631	0.6
131.08598	0.6
133.06529	1.7
133.10011	0.6
135.04434	0.7
135.08109	0.7
136.07582	2.0
137.05981	2.4
139.11183	0.7
149.02361	0.9
149.06009	3.0
151.03954	0.7
151.11145	0.9
152.04579	0.7
153.05489	0.9
157.06439	0.8
157.08630	1.3
160.21574	0.8
161.06007	1.8
161.09599	1.2
163.03912	1.9
163.11180	0.9
164.07047	3.0
165.05461	1.6
165.09155	0.9
167.07051	100.0
175.07610	1.8
177.05540	0.9
179.07040	2.2
181.08588	3.8
181.12257	1.3
191.06956	0.6
193.08582	4.9
197.05977	2.4
199.13271	1.4
201.07587	4.6
205.08662	0.7
207.10164	1.2
209.08119	1.6
211.09674	10.3
217.08620	1.7
219.08597	4.8
223.09665	0.8
225.05522	3.7
227.09105	2.5
229.08662	1.9
229.10732	5.6
235.09639	3.7
242.05727	2.8
249.11255	2.5
253.04974	2.4
254.05826	0.7
257.08121	0.9
267.12219	1.5
267.15924	0.8
270.05237	8.7
285.07593	56.4
285.12839	2.6
286.07968	1.4
303.14468	9.0
313.06638	0.7
315.05124	0.9
327.14020	1.4
369.06180	1.3
393.15305	1.4
402.47791	0.7
411.16281	1.2
429.07938	0.8
429.17743	1.0
429.94269	0.7
447.17599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.9
57.07077	3.2
60.05659	0.6
67.05517	3.6
69.07074	13.6
69.68600	1.7
69.69011	1.7
71.08632	1.7
79.05475	1.7
81.07066	6.3
83.04964	0.7
83.08628	7.7
91.05492	2.0
93.07050	2.7
95.02225	0.6
95.08608	5.3
97.10184	4.9
105.07005	1.4
107.08587	2.7
109.10182	5.3
111.04477	0.9
111.11716	1.7
119.08595	2.9
121.06518	0.9
121.10136	2.2
122.07305	0.9
123.11695	1.8
125.13303	0.9
131.08614	1.6
133.10159	1.5
135.08057	2.3
135.11711	2.0
137.09624	6.1
137.13304	1.0
139.07588	0.7
145.10141	1.8
149.09630	8.7
151.07524	1.3
159.11655	1.8
161.09581	0.9
162.06819	1.0
163.11205	10.0
163.14738	0.7
164.70259	0.6
165.09126	100.0
166.09393	1.1
171.11642	0.8
173.09612	0.9
173.13304	1.0
174.10391	0.7
175.11137	3.8
177.09084	5.7
177.12759	0.8
179.10664	0.7
184.70802	0.6
187.11098	1.7
189.09106	2.1
189.12842	1.9
191.10692	4.3
191.14182	0.7
199.11273	3.3
201.12788	1.6
203.10680	5.0
203.14313	0.8
205.12289	6.2
217.12187	0.7
219.13809	2.5
233.15311	0.9
275.20279	0.8
373.14362	1.0
387.15982	2.5
401.17621	2.1
402.18518	1.3
414.14426	0.9
415.15295	4.4
416.15689	0.8
417.20718	0.9
427.35648	5.5
429.16806	3.3
430.17773	5.7
445.20139	50.9
445.36728	8.9
446.20795	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	445.4045
Annotation	CHEBI:69206
Peak:m/z	Relative Intensity
55.05520	23.6
57.07073	13.8
66.34056	3.8
67.05511	32.7
69.03417	12.2
69.07083	51.7
71.04999	5.8
71.52377	4.2
74.22858	4.2
79.05496	11.6
81.07065	61.7
83.08614	22.5
85.10167	6.0
88.84731	4.3
91.05459	8.8
93.07046	26.3
95.08617	100.0
97.06532	17.0
97.10177	14.4
105.07017	12.5
107.08578	37.2
107.10675	4.2
109.06506	5.7
109.10175	83.7
111.08079	5.9
111.11698	12.1
119.08561	14.0
121.10163	27.9
123.08109	7.2
123.11714	35.9
125.09657	6.6
133.10120	11.3
135.11700	20.3
137.09653	5.4
137.13272	20.3
139.11168	5.2
147.11676	8.0
149.13315	21.4
151.14807	12.1
159.41075	3.9
161.13287	9.4
163.14796	21.2
168.88898	3.7
175.14850	6.6
177.16394	17.3
181.15932	7.2
189.16263	5.4
191.17947	9.3
203.17955	6.4
205.19597	20.4
219.21078	9.7
231.21086	4.8
249.22179	7.8
427.39557	9.0
445.40665	61.0
474.44342	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	446.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.7
59.05010	74.8
61.02929	1.2
67.05505	0.7
69.03426	3.3
69.37814	5.2
70.06586	2.3
72.08146	2.2
73.02920	1.4
81.03405	1.8
82.06586	1.2
84.04533	0.9
84.08114	0.7
85.02914	11.3
86.09696	3.2
87.04475	1.8
89.06045	59.3
93.07082	0.7
97.02912	5.0
99.04453	0.9
100.07614	4.2
103.03948	1.3
103.07581	2.9
107.07083	2.6
109.02877	1.1
109.33015	0.7
113.02369	0.8
117.05520	1.8
117.09151	9.0
121.10155	0.7
127.03925	1.6
131.80740	0.7
133.07658	1.3
133.08618	15.5
134.05995	0.8
141.87344	0.7
145.04955	1.0
151.09677	56.6
161.11731	1.7
163.07497	0.7
191.12822	3.6
209.13869	15.5
227.09465	0.9
247.08130	1.9
252.25519	0.7
267.18057	100.0
268.18576	1.5
277.09183	0.8
288.14206	0.8
321.62051	0.7
446.17355	1.4
446.24570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.05008	7.0
69.03424	1.5
70.06590	1.9
72.08158	1.1
73.02897	0.7
73.06547	1.4
77.06061	0.8
79.05479	0.7
81.03429	0.8
83.05000	0.8
84.08173	0.6
85.02902	1.1
86.09709	3.0
87.03931	1.2
87.04476	31.6
89.06037	68.6
103.03950	100.0
103.07584	2.3
104.04327	0.6
107.04895	0.5
107.07072	1.8
109.02921	0.7
109.06533	0.6
116.07100	1.0
119.07069	2.0
119.61955	0.5
121.05028	0.6
121.06532	0.9
121.08636	2.0
131.04919	0.9
131.07054	8.3
133.08612	39.2
138.09158	0.7
138.55975	0.6
142.91100	0.6
147.04451	2.1
147.06526	10.4
163.07515	1.0
163.09666	3.0
163.81578	0.6
165.09128	1.0
170.55905	0.6
175.09695	6.1
177.05476	0.8
177.11230	16.6
191.09137	6.5
199.13243	0.6
207.12198	4.0
219.12265	1.7
221.13860	4.2
235.11766	6.1
239.14879	0.8
251.14926	1.1
265.16455	1.2
269.16061	0.7
279.14441	1.7
283.17648	0.6
295.17596	0.7
297.19159	0.7
341.18124	1.1
371.22821	0.7
383.22888	3.4
385.20779	1.0
411.22446	1.3
429.23380	20.4
435.97137	0.6
446.13956	1.0
446.20206	1.5
446.26483	0.9
446.39670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68651	0.3
54.34470	0.3
57.03440	0.3
59.04995	0.3
60.84422	0.3
65.03924	0.4
67.05533	0.5
69.03423	0.5
69.07064	1.1
69.83587	0.5
69.83989	1.1
79.05500	1.1
81.07059	0.9
83.08634	0.3
85.02925	0.6
91.05500	1.3
93.07067	0.5
95.08608	0.7
97.06538	4.6
105.07070	0.3
107.04992	0.6
107.08611	0.7
119.04961	2.1
119.08595	0.4
121.02880	1.2
128.06241	0.7
131.44669	0.3
133.06496	0.4
135.11681	0.6
140.47511	0.3
143.08615	0.3
144.05699	0.4
147.04430	4.4
149.02376	0.5
157.09987	0.4
165.06956	0.4
167.08586	0.5
168.00569	2.4
169.01317	1.2
171.04393	1.8
181.06485	1.5
183.02995	1.6
184.05208	0.6
186.01602	1.3
187.07841	0.3
194.07271	2.1
195.08090	1.3
197.06096	0.8
199.07500	0.4
209.05984	0.4
210.06764	0.9
217.08508	0.5
221.05946	0.6
222.06734	2.3
223.07552	0.7
225.05496	0.3
235.07747	0.4
236.04585	0.4
237.05418	0.7
240.04222	1.1
241.08629	0.6
247.07588	0.4
265.05005	1.0
268.00992	0.3
268.03674	7.3
271.09360	0.3
272.03091	0.8
283.06036	6.3
286.04736	0.5
293.04602	0.9
294.05209	2.7
297.07556	0.6
300.02582	3.2
300.13644	0.4
307.70459	0.4
309.04001	19.9
309.07562	2.7
310.04727	6.3
313.14648	0.5
321.04108	0.5
325.07111	1.0
337.03531	1.4
338.04236	17.0
339.16058	0.4
344.06842	0.5
353.06583	33.9
354.07059	0.5
361.07019	1.9
362.07861	6.9
365.14017	0.5
372.06351	0.5
373.07098	8.7
377.10275	4.8
383.14783	1.0
387.08786	1.3
388.09579	0.4
389.06580	16.8
390.07355	4.2
403.08188	0.9
405.09714	6.7
414.07370	1.0
429.15488	1.0
432.08435	2.2
447.10782	100.0
448.11279	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	1.4
55.05518	2.6
57.03452	6.8
57.03697	0.5
61.02671	0.9
61.02935	3.5
67.05518	4.1
67.33577	0.5
68.78267	0.5
69.03442	4.8
69.07088	3.2
70.86436	1.2
71.01373	0.7
71.05003	4.5
73.02931	5.4
75.04495	15.1
78.95683	0.5
79.05511	4.0
81.03426	2.8
81.07073	8.4
83.05038	2.3
83.08682	1.1
85.02921	11.5
87.04500	0.6
91.04025	2.0
91.05489	3.8
93.07083	3.1
95.05045	0.8
95.08621	3.5
95.21346	0.5
97.02934	3.6
97.06549	10.1
99.04493	1.3
99.08166	0.7
100.65779	0.6
101.02424	0.8
105.07047	4.4
107.08627	3.0
109.02942	1.5
109.06545	1.2
109.10216	1.9
111.04491	1.1
114.88690	0.6
119.08614	3.1
121.10172	2.7
123.04523	1.7
123.08156	0.8
123.11736	3.8
125.02380	0.5
125.06081	0.8
127.03931	3.3
127.07664	0.6
128.06311	0.7
129.05560	1.2
129.07028	0.8
131.08644	0.8
133.10240	1.8
143.08693	0.8
145.05061	0.9
145.10210	1.4
147.11711	7.5
149.02394	0.6
149.06006	0.5
149.13274	0.6
151.07634	1.8
153.05548	1.0
153.12762	0.5
157.10213	1.5
159.11702	0.6
161.05943	0.7
161.13350	0.7
163.11101	0.6
165.12805	4.2
167.07094	0.6
168.00557	3.9
173.06049	0.6
177.05586	0.6
183.08049	0.7
183.13910	1.0
184.05341	0.9
186.01654	1.4
187.07722	0.6
193.08684	1.1
193.12329	0.8
199.07475	0.7
212.04655	0.5
213.05534	0.9
213.09193	0.9
215.14507	0.6
217.08711	0.5
223.07701	0.6
225.09157	0.8
229.05159	0.7
229.14368	2.6
239.07045	0.7
241.05045	0.6
241.08632	2.2
255.56323	0.6
258.05286	3.0
267.15988	5.2
268.03830	0.7
268.38815	0.5
269.04446	4.1
269.11734	0.7
270.05270	6.0
271.09634	0.7
281.47009	0.6
285.04068	6.1
285.07642	21.3
285.16940	5.7
286.04776	53.1
287.05261	0.8
293.12076	0.7
297.07761	1.3
301.07126	100.0
302.07468	0.8
313.14490	1.3
319.13098	0.6
327.08673	0.8
327.12387	0.7
337.14194	0.9
339.12152	1.0
339.16003	0.7
341.14069	0.6
349.03583	0.5
357.17136	0.6
364.69540	0.6
365.13864	1.3
383.14954	7.3
401.16183	1.0
411.14703	1.2
429.15613	1.1
429.20993	0.8
447.12784	18.6
447.21591	3.7
447.31146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01881	0.7
55.05507	0.8
55.88127	0.3
57.03426	1.2
59.04987	0.8
61.02922	1.0
62.04073	0.3
65.03931	0.4
67.05495	1.0
68.99782	0.6
69.03432	7.1
69.07060	0.7
70.06577	0.4
71.04977	0.7
71.51396	0.4
73.02906	0.9
73.04771	0.5
79.05475	1.0
81.03426	4.8
81.07067	1.6
85.02910	15.0
85.06538	0.7
86.09699	1.3
87.00379	0.5
87.00838	5.2
91.05464	3.9
93.07045	5.6
95.04971	2.4
95.08594	1.1
97.02903	3.9
99.04453	1.5
103.03952	0.4
104.63838	0.3
105.01867	3.7
105.07043	5.6
107.04984	0.5
107.08601	15.7
108.58226	0.3
109.02887	5.6
109.06542	1.0
109.10159	1.6
117.07056	0.4
118.04156	0.6
119.04935	0.5
119.08587	2.9
121.02858	0.8
121.06499	1.4
121.10146	0.8
123.04427	1.3
123.11716	0.8
124.87106	0.3
127.03927	8.8
129.01877	0.6
131.08598	0.6
133.10132	17.2
135.08041	0.4
135.11697	14.5
137.05975	0.9
137.09616	0.9
137.70360	0.3
145.04974	2.6
146.07228	0.4
151.11186	1.3
159.02867	1.4
161.06061	0.4
161.09636	8.9
163.11188	0.7
165.05492	0.5
167.05461	0.5
167.10620	0.5
175.14839	0.8
175.36629	0.4
177.05493	1.0
179.07097	8.9
179.10677	29.1
180.07826	1.2
183.06450	0.3
191.10706	0.4
197.11743	100.0
198.12086	1.1
201.05379	0.4
202.86816	0.3
213.03844	0.8
225.07558	0.5
231.04974	1.8
247.17026	0.4
248.71112	0.3
283.19214	0.4
301.07150	0.4
311.93994	0.4
355.10901	0.8
359.02521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01874	2.6
55.05531	8.4
57.03442	1.8
62.74931	1.2
65.03951	2.2
66.56307	1.1
67.05188	2.0
67.05514	28.0
67.69341	1.5
69.07070	7.8
71.52606	1.6
78.14085	1.4
79.05505	23.2
81.07067	21.5
83.04996	2.9
83.08610	5.3
85.02930	1.4
85.06554	2.9
89.06028	1.5
91.05491	29.2
93.07063	23.3
95.04962	5.4
95.08632	17.6
97.06530	2.6
97.10157	2.6
99.08058	1.3
103.53001	1.2
105.07052	33.0
106.57280	1.4
107.04961	2.9
107.08611	9.7
109.06534	3.2
109.10173	7.6
115.05457	2.4
117.07033	15.5
119.04992	1.5
119.07808	1.8
119.08607	21.0
121.06509	4.8
121.10163	6.2
123.08095	2.5
123.11687	2.0
125.09649	1.2
128.06244	4.0
129.07027	8.9
131.08591	21.1
133.06482	2.0
133.10136	9.7
135.08037	2.7
135.11726	3.7
141.06998	3.7
143.08591	11.3
145.06519	1.9
145.10124	13.6
147.04489	1.5
147.08067	3.3
147.11690	3.7
149.09660	1.9
155.08609	5.0
157.10129	8.4
159.11702	6.7
161.13303	1.5
167.08534	2.4
169.10115	3.0
171.11687	3.7
173.09723	1.9
173.13249	2.9
177.12735	1.4
181.10152	3.0
183.11702	3.7
185.13303	4.2
185.49628	1.3
187.14854	2.0
189.12808	1.4
195.11749	3.1
197.13222	3.1
207.11777	1.4
208.25102	1.3
209.13445	1.9
211.14850	2.6
211.50960	1.3
213.12805	1.8
218.43974	1.3
237.16377	1.8
244.58041	1.4
247.16914	2.7
273.18533	1.8
276.37527	1.5
307.24179	1.9
335.23798	3.4
336.37500	1.4
343.26157	2.8
353.24686	11.1
371.25882	11.9
389.26947	12.4
427.28296	2.9
445.29492	100.0
446.29892	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.6
57.07071	6.4
67.05193	2.4
67.05511	31.4
69.03441	13.9
69.07068	39.7
71.04997	12.3
71.25841	5.3
79.05487	11.7
81.06593	3.6
81.07059	62.2
83.04966	3.4
83.08633	15.1
83.96150	2.4
85.06559	36.8
91.05489	7.9
93.07050	30.6
95.08614	96.6
97.06548	21.0
97.10188	7.0
99.08089	7.7
104.78734	2.7
105.07044	16.1
107.08591	33.4
109.06488	3.2
109.10163	100.0
111.08099	15.4
111.11043	3.3
111.11723	10.6
117.06982	3.1
119.08609	20.4
121.10148	33.6
123.08077	5.5
123.11722	51.3
125.09620	8.6
127.11134	4.0
131.08556	5.0
133.10155	17.5
135.10800	3.9
135.11696	26.4
137.09607	8.4
137.13271	19.5
139.11195	11.0
145.10127	9.8
147.11682	10.3
149.13275	24.6
151.11232	4.9
151.14815	4.3
153.12733	5.7
159.11707	11.8
161.13280	10.7
163.11099	3.1
163.14853	26.3
173.13242	7.8
175.14859	5.5
177.16408	18.3
187.14769	5.0
189.16389	4.6
191.14345	4.6
191.17934	12.1
193.16116	3.2
201.16405	8.4
203.18053	3.3
205.19519	41.6
209.15286	5.8
209.62909	3.0
217.19478	7.4
219.17465	10.7
219.21040	19.4
223.16956	4.8
233.18982	3.9
233.22777	3.2
237.18468	9.5
247.20541	3.8
251.20004	4.4
261.22018	6.3
265.21490	4.9
271.70410	2.5
279.23175	3.5
343.90475	2.4
356.56976	2.5
425.37622	10.3
443.33313	17.1
443.38852	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1497
Annotation	Rhinacanthin F
Peak:m/z	Relative Intensity
57.03420	0.9
68.99772	1.2
69.07072	1.1
69.44202	3.9
69.44617	1.3
71.01347	0.8
76.09676	0.8
79.05489	1.9
80.60473	0.8
84.82616	0.9
97.06531	3.5
98.21503	1.0
99.00815	3.1
104.69363	0.8
112.01585	2.1
127.00266	2.6
129.29292	0.7
140.01053	0.9
148.68625	0.9
153.07002	1.5
155.08627	1.1
161.06026	1.3
163.03891	0.8
165.07108	1.1
167.08479	0.8
168.00557	35.7
168.05798	1.1
169.01323	2.2
173.05989	4.1
174.06731	1.1
175.07591	0.9
183.02905	97.8
185.06047	0.9
186.01593	11.0
186.06776	0.9
187.07573	1.3
189.09108	0.8
191.08429	0.8
193.06477	0.8
195.08084	0.8
201.05534	1.9
211.07581	2.8
213.05472	1.4
213.09026	0.9
214.06194	0.8
215.47513	0.8
229.08586	1.3
234.94633	0.8
235.57394	0.9
239.07014	3.8
257.08124	6.3
267.10010	0.7
285.04123	1.0
295.06076	1.0
297.03906	2.6
298.04642	2.1
301.03549	1.0
302.04266	5.1
309.04211	0.9
309.07623	1.7
311.05396	2.7
313.03503	1.8
313.07245	1.2
314.04230	1.4
317.06577	6.0
323.05652	1.3
324.06363	1.3
326.04276	7.9
327.05096	1.6
328.05835	5.3
334.08344	2.1
335.09048	1.4
336.06329	2.2
337.07104	1.5
339.05011	7.5
341.06592	14.0
341.10217	1.4
342.03876	1.1
345.44669	0.8
347.05573	1.0
349.10620	1.7
351.05087	1.7
351.08884	1.8
352.09415	2.7
353.06601	1.3
354.07318	12.5
356.08847	5.0
357.09686	2.3
362.07779	2.0
365.06439	0.9
367.11789	4.5
369.05399	0.9
369.09747	14.9
377.10226	2.0
384.08740	1.0
385.12946	2.1
395.11322	13.6
401.12256	2.5
413.12338	100.0
414.12762	1.8
448.85571	0.8
466.13605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04095	1.4
53.03937	4.2
55.01854	1.5
55.05504	1.8
57.03444	17.8
61.02921	3.4
63.19186	1.4
69.03428	2.5
69.07071	2.7
70.06582	5.4
71.04976	1.6
71.15350	3.4
72.08160	3.7
73.04768	2.2
79.05499	1.7
81.03426	4.4
81.07037	2.1
81.59985	1.3
83.05002	2.9
84.04557	1.5
85.02913	11.4
85.06530	2.1
86.09727	7.2
89.03938	1.5
91.05459	3.9
93.07057	3.5
95.08613	2.4
97.02892	4.2
99.04459	14.0
103.03938	14.0
103.05483	4.2
106.31867	1.5
107.04975	4.1
109.02898	9.8
116.07098	8.5
117.03366	1.7
117.05496	42.8
119.08559	2.1
121.02851	2.1
121.06509	13.8
123.04430	3.3
123.08082	2.8
127.03928	11.5
131.04977	6.9
133.02888	1.5
137.05977	9.6
139.07603	1.7
140.04762	1.8
145.02927	3.9
145.06578	1.4
147.04472	2.1
149.05975	15.0
155.06999	2.2
157.08623	2.4
159.04448	2.8
163.03952	1.9
163.07524	2.7
165.05498	3.7
166.06273	1.9
167.07045	100.0
168.06395	1.4
175.07474	1.7
177.05479	44.2
179.07088	2.6
181.05017	1.3
182.05826	1.8
183.06552	3.9
191.07077	2.6
197.07997	1.4
201.07518	8.6
205.08656	1.8
209.08119	29.3
216.07770	1.8
219.08568	4.0
225.07597	7.4
227.09142	69.3
233.08035	6.7
265.10645	7.7
283.11932	1.7
301.12909	16.9
325.12793	7.5
355.10834	2.3
359.02829	3.8
366.06006	2.2
371.10446	1.7
381.09091	1.5
399.09775	3.0
409.15070	3.0
427.15390	2.7
445.20401	1.9
468.98062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04095	1.4
53.03937	4.2
55.01854	1.5
55.05504	1.8
57.03444	17.8
61.02921	3.4
63.19186	1.4
69.03428	2.5
69.07071	2.7
70.06582	5.4
71.04976	1.6
71.15350	3.4
72.08160	3.7
73.04768	2.2
79.05499	1.7
81.03426	4.4
81.07037	2.1
81.59985	1.3
83.05002	2.9
84.04557	1.5
85.02913	11.4
85.06530	2.1
86.09727	7.2
89.03938	1.5
91.05459	3.9
93.07057	3.5
95.08613	2.4
97.02892	4.2
99.04459	14.0
103.03938	14.0
103.05483	4.2
106.31867	1.5
107.04975	4.1
109.02898	9.8
116.07098	8.5
117.03366	1.7
117.05496	42.8
119.08559	2.1
121.02851	2.1
121.06509	13.8
123.04430	3.3
123.08082	2.8
127.03928	11.5
131.04977	6.9
133.02888	1.5
137.05977	9.6
139.07603	1.7
140.04762	1.8
145.02927	3.9
145.06578	1.4
147.04472	2.1
149.05975	15.0
155.06999	2.2
157.08623	2.4
159.04448	2.8
163.03952	1.9
163.07524	2.7
165.05498	3.7
166.06273	1.9
167.07045	100.0
168.06395	1.4
175.07474	1.7
177.05479	44.2
179.07088	2.6
181.05017	1.3
182.05826	1.8
183.06552	3.9
191.07077	2.6
197.07997	1.4
201.07518	8.6
205.08656	1.8
209.08119	29.3
216.07770	1.8
219.08568	4.0
225.07597	7.4
227.09142	69.3
233.08035	6.7
265.10645	7.7
283.11932	1.7
301.12909	16.9
325.12793	7.5
355.10834	2.3
359.02829	3.8
366.06006	2.2
371.10446	1.7
381.09091	1.5
399.09775	3.0
409.15070	3.0
427.15390	2.7
445.20401	1.9
468.98062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83799	0.2
53.03960	1.3
55.01870	1.2
55.05512	0.7
57.03437	1.2
58.94773	0.3
59.05003	0.7
61.02919	0.9
65.03951	0.3
67.05502	1.0
68.99785	0.8
69.03088	0.5
69.03439	6.4
69.07078	0.7
70.06612	0.4
71.05015	1.2
71.52504	0.4
72.08172	0.3
73.02919	1.0
73.04764	0.4
79.05516	1.5
81.03429	5.0
81.07063	1.1
83.04990	0.5
85.02916	15.0
85.06548	1.1
86.09716	1.1
87.00846	5.1
91.05473	3.6
93.06477	0.4
93.07051	5.8
93.07626	0.3
95.04986	2.1
95.08630	0.9
97.02912	3.9
97.06564	0.4
99.04479	2.3
101.02346	0.3
103.03957	0.3
103.05452	0.3
105.01884	4.0
105.07037	5.4
107.04972	0.4
107.08608	15.6
109.02896	5.8
109.06516	0.9
109.10180	1.4
115.03929	0.3
117.01852	0.6
117.06992	0.4
119.04946	0.7
119.06059	0.4
119.08607	2.0
121.02881	0.7
121.06510	1.5
121.10159	0.6
123.04429	1.4
123.08109	0.4
123.11723	0.9
125.05912	0.4
127.03936	7.9
129.01851	0.5
131.04973	0.3
131.08598	0.7
133.10146	15.9
135.08061	0.6
135.11707	16.7
137.05960	0.8
137.09593	1.2
143.08568	0.5
145.04994	2.1
145.10228	0.3
147.02818	0.4
147.08069	0.3
151.11183	1.8
159.02917	0.8
161.09636	8.6
161.10950	0.6
163.11217	0.5
167.05658	0.3
167.07068	0.3
167.10634	0.5
177.05531	0.5
179.07100	9.1
179.10690	29.4
180.07814	0.8
180.10939	0.4
183.06544	0.7
189.03986	0.5
197.11757	100.0
198.12083	0.9
213.03900	0.4
225.07513	0.6
231.05035	2.1
239.12885	0.3
246.32953	0.3
265.17963	0.5
325.06699	0.3
355.11194	0.4
359.02884	0.4
375.35709	0.3
381.08795	0.5
399.09760	0.7
408.70422	0.3
445.12744	0.3
462.06735	0.3
462.40881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.389
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
50.29356	1.8
52.89191	2.2
55.05505	15.8
57.07072	8.4
59.04999	4.1
67.05508	30.1
69.03448	10.2
69.07073	51.8
71.04996	8.3
71.08633	2.1
73.02918	3.1
79.05501	15.8
81.07061	62.4
83.08624	13.3
85.06535	24.5
91.05479	9.6
93.07049	42.0
95.08615	100.0
97.06551	11.3
97.10162	7.0
97.84098	1.9
99.08105	3.1
105.07048	19.6
107.08606	48.0
109.06563	2.2
109.10164	79.4
111.08093	7.3
111.11723	27.6
113.81618	2.1
119.08590	21.3
121.10156	40.1
123.08105	2.2
123.11718	34.2
125.09610	9.3
125.13242	2.1
127.11206	5.0
131.08551	6.2
133.10133	16.1
135.11699	31.9
137.09674	3.1
137.13239	16.2
139.11194	5.0
141.12634	1.8
145.10136	10.2
147.11713	13.2
149.13295	27.2
151.11201	2.5
151.14845	5.1
153.12775	2.9
159.11751	9.5
161.13229	10.0
163.14832	19.2
167.14326	4.2
173.13289	6.0
175.14821	11.1
177.16428	18.4
187.14806	7.7
189.16452	6.2
191.17940	12.1
194.97076	2.3
195.17523	3.0
201.16399	6.9
203.17967	6.6
205.19536	25.7
211.17038	2.2
215.17938	2.2
217.19505	4.6
219.17403	5.7
219.21083	7.6
221.19020	2.1
225.18446	3.6
229.19377	3.8
231.20995	2.2
233.19098	3.0
237.18468	2.7
257.22702	2.3
265.21573	3.2
271.24173	6.5
283.24234	2.7
285.25720	2.7
407.36771	4.6
425.32977	2.9
425.38483	11.2
443.33505	10.4
443.39169	38.3
463.85403	2.1
468.61530	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Epigermanidiol
Peak:m/z	Relative Intensity
55.01871	1.5
55.05507	5.1
57.07066	2.7
61.73359	0.7
63.83527	0.7
64.84396	0.6
67.05512	13.3
69.03424	1.0
69.06734	1.2
69.07076	13.7
69.53374	3.4
69.53783	1.4
71.05003	1.2
71.08640	1.3
73.02927	16.0
79.05487	5.1
81.07063	24.9
83.04992	0.8
83.08633	5.4
83.28417	0.8
85.06517	1.8
86.74662	0.8
91.05495	4.1
93.07051	11.1
95.08615	51.3
97.06501	1.3
97.10185	2.8
98.21561	1.3
101.05999	1.1
105.07047	7.6
107.08605	24.5
109.06526	1.4
109.10167	43.8
111.08082	1.7
111.11722	6.1
112.86620	0.8
119.08596	4.5
121.10161	14.1
123.08078	0.7
123.11720	17.5
125.09637	2.4
131.08537	1.8
133.10144	5.6
135.11696	13.7
136.15376	0.8
137.09567	0.8
137.13275	9.3
139.11148	1.2
139.91684	0.7
145.10114	2.2
147.11742	4.1
149.13260	15.4
151.11211	6.5
151.14862	5.7
153.12805	4.2
159.11737	1.0
161.13264	2.8
163.14853	7.4
165.12859	1.2
165.16493	1.4
167.10715	1.1
169.12253	2.2
173.13220	1.1
175.14813	1.9
177.16380	5.7
179.14323	1.0
179.17998	1.4
181.65625	1.0
187.14838	1.1
189.16362	2.2
191.17979	5.3
201.16391	1.2
203.17953	3.1
205.19539	22.5
207.17412	1.0
217.19589	2.5
219.17557	1.6
219.21138	2.6
225.18561	1.5
231.21190	2.4
233.19066	1.5
239.20114	1.3
245.22755	1.0
245.80496	0.7
369.35297	2.8
407.36758	1.3
425.37848	6.4
443.38892	100.0
444.39355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.95861	2.9
55.05511	10.9
55.10912	3.0
57.07062	9.6
67.05507	20.0
69.07080	18.0
69.20836	28.4
79.05482	7.5
79.46671	2.7
81.07057	34.5
83.04965	3.8
83.08638	14.7
85.06548	32.5
87.04482	7.0
87.57528	3.2
91.05469	9.9
93.07054	22.5
95.08614	46.1
97.06532	5.6
97.10173	7.7
98.79879	3.0
101.06024	4.8
105.07040	23.4
105.24166	2.7
107.08604	33.0
109.10164	39.7
112.52935	3.5
117.42608	3.8
117.45501	3.8
119.08572	28.5
121.10141	34.9
123.11683	21.5
131.08566	10.3
133.10143	24.7
135.11691	21.3
137.09595	6.5
137.13216	3.8
143.08549	4.4
145.10117	23.9
147.11719	18.9
149.09601	5.3
149.13261	14.6
151.11206	7.6
157.10176	9.9
159.11688	22.9
161.13283	13.3
163.11147	6.9
163.14854	6.4
165.09195	3.3
171.11693	14.0
173.13283	14.9
175.14850	11.3
177.16505	4.1
179.14232	4.3
185.13318	7.8
187.14836	14.5
189.16396	8.7
191.14268	4.4
193.15877	7.7
199.14755	7.8
201.16498	19.2
203.14287	3.7
203.17953	7.6
205.15851	7.8
207.17372	4.1
211.14796	3.2
213.16345	7.9
215.17934	9.3
217.19604	3.8
219.17499	6.3
227.17996	3.5
229.19536	6.3
231.17493	5.7
241.19388	7.5
243.17415	4.0
255.17239	3.6
255.21149	6.9
257.18954	3.6
269.19019	7.8
269.22720	3.6
271.20523	4.7
333.25150	4.5
389.32037	7.0
399.32538	4.2
407.33029	43.4
425.34146	98.4
443.33710	100.0
444.34268	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	443.3525
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05506	2.1
57.03424	0.7
57.07074	0.8
60.86234	0.5
67.05506	4.2
69.03425	0.6
69.07072	2.7
71.04989	2.5
71.52171	0.5
73.02916	1.1
78.07116	0.5
79.05486	2.6
81.07069	8.4
83.08614	1.7
85.06547	2.1
90.91667	0.6
91.05469	4.0
93.07049	7.4
95.04945	0.6
95.08615	13.2
97.06512	1.0
97.10154	1.0
105.07032	5.6
107.08604	11.1
109.06512	1.1
109.10162	11.8
110.50969	0.5
111.08075	2.0
111.11716	0.7
117.07023	0.7
119.08588	8.8
121.09347	0.6
121.10157	7.3
123.08070	1.2
123.11709	5.0
127.11171	1.4
131.08571	2.8
133.10144	9.2
135.11694	9.7
135.12607	1.0
137.09662	1.2
137.13274	1.7
143.08591	1.3
145.10139	4.2
147.07962	0.9
147.11691	7.0
149.13278	4.6
151.11182	2.2
153.12779	0.7
157.10130	2.0
159.11691	4.8
161.13274	6.0
163.14848	3.2
170.10944	0.5
171.11688	2.0
173.13261	2.1
175.14816	3.7
177.12819	3.4
177.16365	2.2
183.11688	0.7
185.13289	3.4
187.14848	4.4
189.12746	0.8
189.16388	6.9
191.17917	1.4
197.13222	0.7
199.14865	1.7
201.16393	1.6
203.14304	7.2
203.17918	5.5
205.15900	1.3
205.19577	1.4
207.17429	4.6
211.14870	0.9
213.16443	1.6
215.17993	0.8
221.19037	0.8
221.40811	0.6
227.17981	1.2
229.16008	0.8
229.19424	0.8
241.19556	0.9
243.20937	0.8
253.19559	1.5
255.21132	1.0
259.20712	0.8
271.20679	2.6
273.22076	1.2
285.22128	0.8
297.22366	0.7
311.23752	0.9
337.25238	0.7
407.33191	5.5
425.34058	3.0
443.35132	100.0
444.35455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01878	2.2
55.05511	17.2
57.03420	3.1
57.07070	6.6
61.11981	1.7
65.71378	1.7
67.05177	3.0
67.05508	38.6
69.03434	15.8
69.06732	3.3
69.07074	40.7
69.19521	16.8
71.04689	1.5
71.04997	14.7
71.08597	2.3
79.05489	16.3
81.07063	69.8
83.04977	1.7
83.08618	18.5
85.06080	2.6
85.06551	29.6
87.04465	3.1
91.05474	10.8
92.41438	1.7
93.07048	36.5
95.04919	1.7
95.08615	100.0
97.06532	26.1
97.10167	7.7
98.20672	3.2
99.08076	7.5
105.04430	2.1
105.07044	19.3
107.08601	46.3
109.06513	4.6
109.10163	89.2
111.08074	14.7
111.11732	17.3
113.09644	2.5
117.07003	3.3
119.08600	26.7
121.06504	2.4
121.10148	46.2
123.08054	7.9
123.11713	52.8
125.09648	8.6
125.13276	1.6
127.11238	3.6
131.08585	10.7
133.10127	15.4
135.11707	29.5
137.09641	9.5
137.13258	14.9
139.11197	11.2
141.12759	2.2
145.10141	16.2
147.11697	12.6
149.09612	3.2
149.13266	20.6
151.11183	2.8
151.14822	7.1
153.12714	4.0
159.11710	11.6
161.13280	13.0
163.11169	5.1
163.14842	26.0
165.16472	2.8
173.13318	10.9
175.14886	8.7
177.16388	14.9
179.14354	2.5
187.14830	8.0
189.16409	3.9
191.14308	5.9
191.17958	10.1
193.15852	3.1
201.16414	9.6
203.18005	3.7
205.15933	6.3
205.19510	33.6
209.15344	5.8
215.17955	3.0
217.19424	3.2
219.17542	10.5
219.21077	22.7
223.16972	5.0
229.19376	2.4
231.20918	2.0
233.18935	3.9
233.22687	5.5
237.18515	10.7
243.21222	4.0
247.20517	2.7
251.20061	3.3
261.22180	6.2
265.21686	6.6
279.23120	8.6
308.45035	1.9
425.37662	7.2
443.33548	12.3
443.38779	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	443.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91385	2.4
69.03448	3.7
69.40043	4.7
69.40437	19.6
70.06589	7.6
71.04980	3.3
72.08163	3.1
73.02898	4.6
83.04993	2.7
85.02902	7.0
95.08623	4.3
107.08604	3.2
113.09643	17.7
114.09975	13.8
115.84794	2.5
117.03368	3.8
124.60859	2.6
131.10675	6.9
132.11011	3.4
145.02864	11.6
147.04344	2.7
166.08768	3.7
174.05644	2.5
175.03979	2.7
177.05453	18.2
179.07082	3.0
181.04985	34.0
189.06976	5.3
191.03413	3.9
191.08537	4.6
192.04239	2.8
201.01849	10.4
203.08675	3.5
205.06488	8.9
207.06543	16.7
209.04420	4.9
218.07309	6.1
219.06300	3.8
219.08113	18.3
220.05127	3.5
221.06058	7.1
222.06819	7.1
223.07608	4.2
231.08092	3.5
233.06093	5.2
234.06758	16.7
235.07599	12.4
237.05518	11.8
237.09178	4.4
238.06133	3.6
239.07069	6.4
243.02863	2.9
245.05960	5.2
246.06749	4.7
247.07559	34.1
247.83728	2.9
248.04678	5.6
249.05594	13.4
249.94719	2.8
250.06294	17.4
251.06990	7.9
251.09225	9.5
261.03775	6.7
262.06262	20.3
263.07019	24.5
264.07846	10.5
265.05081	16.7
265.08563	11.6
266.05722	10.1
267.06625	12.2
268.03650	3.5
271.06015	3.9
274.06207	5.4
275.06992	9.2
276.04175	4.9
277.05014	9.3
277.08521	3.5
278.05771	30.7
278.08698	3.6
279.06601	29.3
280.07321	8.8
281.08075	5.7
281.85748	2.5
282.05380	3.7
284.06754	3.1
289.05133	4.2
290.05750	17.4
291.06705	12.1
292.07269	14.5
293.04471	10.3
293.08096	46.5
294.05145	8.8
294.08606	4.9
295.05997	24.8
296.06818	16.6
297.07544	5.7
299.08987	4.0
302.05630	2.8
303.06531	5.5
304.07422	3.7
305.04453	5.2
306.05212	7.4
307.06067	15.1
307.09375	4.2
308.06744	20.4
309.07544	18.7
310.08490	19.5
311.05560	5.9
311.09122	16.2
314.07990	3.3
315.21179	2.8
318.05240	10.5
319.05920	13.3
320.06616	16.0
321.03870	15.7
321.07635	20.4
322.08334	3.2
323.05508	26.9
323.09140	9.6
324.06229	6.3
325.07031	14.6
325.10785	13.7
326.07843	5.7
327.08630	54.6
333.07556	5.0
335.05530	5.5
335.09186	5.8
336.06348	26.3
337.07144	19.2
338.07877	25.2
339.08670	8.9
341.09958	4.4
347.05420	5.6
349.07178	6.6
351.08603	33.8
353.10217	92.6
355.08148	31.0
361.06995	3.0
363.08597	14.0
364.05795	91.0
365.06326	9.1
368.05225	6.3
369.09680	37.3
371.11099	17.8
379.08179	75.5
381.09857	11.9
382.06787	5.2
383.07635	5.0
397.09204	100.0
407.07684	10.3
415.10077	6.8
425.08710	53.3
443.09677	10.4
443.19943	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	443.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91483	1.9
62.53519	2.1
67.05486	2.1
69.03439	3.2
69.07076	2.2
70.06601	3.2
71.51364	2.7
81.03410	2.4
81.61473	2.0
85.02932	4.9
95.04958	2.4
95.08644	2.3
107.08677	2.0
113.09648	3.5
114.09966	2.6
119.05028	3.1
120.78159	2.2
145.02870	5.0
147.04420	2.8
147.08151	2.3
161.27075	2.0
163.03902	3.6
165.05457	4.6
174.03062	2.7
177.05569	5.1
181.04984	25.9
189.07050	5.6
190.07571	2.1
191.03404	4.7
191.08652	3.4
195.07983	3.5
201.01826	9.6
202.07713	2.8
205.06584	5.4
207.06479	12.8
207.08141	2.7
209.04414	3.6
211.07593	2.9
218.07385	4.2
219.08118	18.1
220.05176	2.5
221.06038	6.9
223.07521	2.6
225.05479	2.2
231.08023	4.3
232.05312	2.5
233.06143	4.8
234.06798	14.7
235.07462	12.2
237.05484	11.3
238.06261	3.3
239.07025	4.7
240.41711	2.2
243.03003	2.4
245.05785	2.3
246.06712	3.0
247.07590	29.0
248.04614	3.9
249.05350	9.7
250.06256	17.9
251.07031	3.9
251.09280	2.6
257.05972	2.6
261.03799	3.8
262.06287	20.9
263.07031	17.3
263.16171	2.3
264.04321	2.1
264.07718	12.6
265.05084	15.2
265.08572	13.9
266.05710	10.2
267.06613	8.3
268.03879	2.9
271.06094	3.0
273.05356	3.3
274.06290	5.1
275.07004	8.1
276.04208	5.8
276.07660	4.7
277.04974	7.0
277.08557	3.7
278.05713	27.7
279.06540	26.5
280.07205	5.0
281.04370	8.3
281.07965	4.7
281.14868	5.2
282.05173	2.8
289.05014	3.8
290.05682	11.4
291.06485	15.1
292.07260	17.8
293.04492	14.5
293.08072	35.0
294.05173	9.3
294.08267	2.8
295.06152	19.0
295.09204	4.1
296.06641	13.7
297.07385	3.3
299.09085	5.2
303.06564	6.8
304.03662	2.5
305.04550	5.1
305.08084	3.4
306.05219	7.8
307.06070	16.5
307.09357	3.8
308.06775	18.5
309.07538	12.0
310.08258	17.0
311.05466	4.6
311.09116	10.9
312.06271	2.9
314.07880	3.7
318.05042	11.3
319.06161	13.6
320.06717	10.9
321.03876	15.4
321.07599	13.3
322.04614	4.2
322.08298	3.3
323.05505	24.0
323.09158	8.1
324.06186	2.8
325.07056	7.8
325.10706	14.0
326.07932	5.6
327.08640	37.7
333.07721	4.3
335.05460	5.3
335.09161	5.6
336.06378	22.3
337.07004	13.3
338.07816	21.9
339.08627	4.6
340.05710	3.8
341.10034	5.6
347.05542	3.5
348.05984	3.2
349.03351	5.6
349.07135	8.7
351.04803	3.5
351.08630	26.2
353.06714	2.6
353.10187	75.2
355.08163	24.5
361.06857	4.0
363.08600	18.4
364.05777	100.0
365.06339	6.3
366.07407	3.6
368.05167	11.6
369.09723	28.9
369.38708	2.3
371.11081	14.2
379.08151	80.8
381.05667	2.4
381.09882	13.0
397.09198	89.2
407.07681	10.7
415.10242	4.1
425.03113	4.0
425.08704	53.2
426.09464	2.7
443.09732	7.7
443.19431	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80611	1.5
56.96545	1.5
57.03434	3.6
57.07063	4.6
59.04984	1.8
61.02932	3.0
61.77304	1.6
64.25739	1.4
67.05498	5.6
69.03427	12.8
70.06578	6.2
71.04970	3.3
73.02916	1.6
73.86585	1.4
81.03417	2.6
84.08112	2.1
85.02913	36.0
85.06538	4.7
87.04471	5.4
90.69061	1.3
95.04979	12.2
97.02892	14.2
98.09671	2.3
103.61967	1.4
105.07071	1.6
109.02899	1.8
111.65107	1.4
112.09978	1.5
113.06024	28.0
115.03934	8.1
116.07097	9.2
122.06049	2.3
127.03896	11.3
131.07051	100.0
133.05006	7.3
136.06143	2.5
136.07571	1.9
145.04961	15.3
163.06026	6.7
210.73801	1.6
219.21834	1.7
229.13342	1.5
253.13625	2.7
266.10223	1.6
293.12372	15.3
299.13885	2.3
321.07611	1.5
347.77649	1.6
442.19620	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	442.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46705	0.6
57.03431	1.9
57.65255	0.8
58.59359	0.6
62.19470	0.6
67.05510	1.4
69.03431	6.7
69.07075	8.4
69.80247	0.6
70.06604	3.3
70.38620	1.5
71.04987	3.1
72.90314	0.6
82.06569	1.1
85.02918	6.9
85.06553	38.7
87.04472	3.9
90.26463	0.7
90.77686	0.7
91.05514	1.3
95.04952	1.0
97.02921	5.1
98.09686	0.8
100.07614	1.3
109.02885	0.7
113.06017	38.9
115.03946	4.3
116.07076	3.0
119.04991	0.9
119.76623	0.6
122.07196	0.7
123.07988	0.7
127.03942	1.8
131.07057	100.0
133.04999	2.2
136.06152	0.9
147.04411	6.5
148.07503	0.8
148.70140	0.7
183.19176	0.7
219.71928	0.8
238.12344	0.7
261.71191	0.8
293.12323	3.7
299.13913	2.1
317.08392	3.5
324.75772	0.7
442.18018	0.9
443.11588	12.7
443.17056	1.1
463.10968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22148	0.8
51.22384	0.8
55.01880	6.8
57.03443	15.6
59.05002	2.0
61.02654	1.1
61.02935	14.9
67.05477	1.1
69.03437	33.6
69.03816	1.8
70.62676	1.9
70.63007	1.2
71.01349	3.0
71.04979	1.9
71.08632	0.7
73.02924	62.5
73.88931	0.8
74.42188	0.8
74.74371	0.8
77.30256	0.9
81.03421	6.1
85.02914	100.0
87.04482	4.2
91.03963	2.9
94.63300	0.9
97.00124	0.9
97.02904	54.7
98.20796	0.9
99.04489	4.5
100.37026	1.1
103.03946	3.4
109.02900	10.7
113.24389	0.9
115.03943	26.5
127.03932	29.8
133.04979	42.9
144.06607	1.0
145.04973	48.0
150.07623	2.5
163.06039	30.2
163.07414	1.6
169.05029	1.1
193.04984	1.4
199.05983	1.7
217.07043	2.3
223.06029	7.1
241.07143	10.2
259.08167	11.2
277.09207	1.8
293.19513	1.5
295.10257	3.1
391.24072	1.0
399.92358	1.0
462.66165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.99516	1.7
55.05516	15.6
57.07066	6.8
58.92105	1.8
59.04990	6.8
65.03935	2.0
66.24933	1.9
67.05511	26.3
69.03426	3.0
69.07069	36.0
71.05006	3.3
71.08176	1.7
71.08623	2.1
71.21724	3.3
71.22060	1.8
79.05495	18.3
81.03409	2.7
81.07059	63.7
83.04995	2.5
83.08618	13.1
85.06552	2.9
91.05486	15.1
93.07041	37.7
95.04964	4.7
95.08612	100.0
97.02895	2.4
97.06537	3.5
97.10168	8.4
98.97572	1.8
99.08095	3.5
105.07040	31.1
107.08598	56.7
108.81940	1.8
109.06519	4.2
109.10166	66.2
111.08080	7.7
111.11735	4.5
113.09656	2.0
117.07014	5.1
119.08588	42.9
121.06493	5.5
121.10149	49.5
123.08092	3.4
123.11720	31.1
125.09651	6.3
129.06970	4.5
131.04907	2.8
131.08557	10.2
133.10132	35.6
135.11697	35.2
137.09634	4.1
137.13269	22.8
141.09146	1.7
143.08557	5.7
145.06490	15.7
145.10114	19.8
147.11690	27.4
147.45909	1.9
149.09634	4.6
149.13258	25.4
151.07536	5.2
151.11252	3.7
151.14870	3.0
155.08521	3.0
157.10136	6.8
159.11713	22.3
161.13258	25.1
163.11172	5.5
163.14824	11.0
165.09125	16.0
165.16469	2.0
171.08047	3.8
171.11659	4.9
173.09621	2.9
173.13263	13.6
175.14850	13.1
177.12692	2.4
177.16403	21.7
179.14449	2.2
179.17886	2.0
181.06505	2.2
183.08064	2.7
183.11723	3.1
185.09663	3.1
185.13223	5.7
187.14772	11.7
189.16345	15.5
191.17955	47.5
195.08083	3.5
195.11624	2.0
197.13191	2.2
199.14804	6.6
201.12769	2.6
201.16348	12.8
203.17950	23.7
205.15955	4.8
205.19498	12.8
206.71542	1.8
207.17480	6.7
213.16364	5.8
215.17970	16.3
217.15964	3.1
217.19597	12.2
219.17484	13.0
221.19060	2.1
227.17975	3.9
229.19615	4.7
231.17422	4.2
231.21095	4.3
233.19106	8.7
237.18533	2.5
243.21095	3.3
245.19020	7.1
245.22652	3.2
251.20090	2.6
255.13837	3.4
255.21086	3.7
263.20114	3.5
267.21057	2.4
273.14789	8.5
273.22324	3.0
291.23236	4.5
303.23373	3.1
313.29019	4.3
325.17966	2.2
325.25143	2.1
349.21643	5.7
353.16049	2.2
367.22592	13.0
395.36801	8.5
405.24408	3.4
405.35077	8.0
423.36282	42.5
441.15082	5.4
441.26453	31.4
441.37241	58.5
442.37891	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03950	3.1
55.05505	13.7
57.07065	6.7
67.05238	2.2
67.05508	24.5
69.07072	25.6
70.14806	3.6
70.15179	3.6
72.81008	2.1
74.84353	2.1
79.05486	17.5
81.06603	3.3
81.07063	62.6
83.08612	12.1
85.02926	2.5
91.05479	22.0
93.07050	45.7
95.04984	2.5
95.08614	100.0
97.06545	24.5
97.10167	9.5
105.07036	47.8
107.08602	72.1
109.02850	2.1
109.06518	3.5
109.10162	66.8
111.08072	9.2
117.07021	7.4
119.08588	68.0
121.10152	56.6
123.08038	3.6
123.11714	29.2
131.08569	17.7
133.10139	51.2
135.11703	43.9
137.09633	3.4
137.13264	13.7
143.08563	5.6
145.10132	34.3
147.11691	42.4
149.13274	28.2
151.11221	4.7
152.09242	2.3
157.10146	10.0
159.11707	38.4
161.13255	40.9
163.14813	18.7
165.12767	4.5
171.11673	7.6
173.13240	24.2
175.14862	25.3
177.16368	19.6
179.12741	2.1
179.14304	9.3
185.13219	5.7
187.14857	14.9
189.16409	31.0
191.14313	5.3
191.17970	63.1
193.15866	10.1
199.14851	5.4
201.16368	17.6
203.17976	31.8
205.15889	42.5
205.19537	8.5
207.17436	23.4
213.16368	7.3
215.17972	33.8
217.19498	8.1
219.17453	9.6
221.18985	10.8
227.17842	4.2
229.19531	11.1
231.17387	4.1
231.20969	2.7
233.19014	28.2
239.18021	3.2
241.19469	3.2
243.21111	9.1
245.19052	4.1
247.20845	3.2
249.18497	4.8
255.20952	2.9
257.22601	2.9
261.22064	2.9
269.22723	3.1
273.22064	5.8
281.22873	3.4
283.23929	2.9
287.23859	3.3
363.00381	2.5
365.32172	4.7
405.35413	4.8
411.36169	2.7
423.36230	50.7
441.25531	2.9
441.37381	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98833	0.8
55.01868	1.0
55.05507	2.0
67.05501	5.0
69.07087	5.7
73.02920	13.5
79.05487	3.6
81.07059	9.8
83.04984	4.3
83.08624	2.8
85.06551	14.8
91.05470	3.7
93.06484	1.2
93.07042	13.0
95.08063	1.4
95.08617	17.4
97.10188	1.1
105.04475	0.8
105.07024	5.8
107.08599	7.9
109.10166	8.5
119.08575	6.5
121.06498	11.0
121.10169	7.9
123.11720	5.0
125.06005	1.5
131.08589	2.0
133.10109	2.6
135.08057	2.7
135.11670	2.9
137.09601	1.5
137.13277	2.4
139.11156	1.1
145.10139	1.6
147.11687	3.2
149.09627	7.9
149.13216	2.9
153.07925	1.5
153.09119	23.9
159.11693	3.1
161.13281	2.4
163.14806	1.2
167.10687	100.0
171.11789	1.0
173.13185	1.3
187.14781	1.0
189.16350	1.9
196.95164	0.8
201.16331	1.8
205.19513	2.2
215.18114	1.0
423.32138	1.6
441.37488	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05500	5.1
57.07075	2.5
57.77741	1.9
58.40513	1.6
67.05510	8.1
69.03436	22.8
69.07069	8.4
71.04980	2.4
71.52695	2.1
71.53094	2.0
72.31178	1.7
76.67870	1.5
79.05480	4.2
81.07056	16.6
83.08597	3.5
85.06548	100.0
86.69202	1.6
87.04516	1.6
91.05473	4.3
93.07052	9.8
93.17064	1.6
95.08619	27.2
97.06532	3.5
97.10190	2.1
105.07018	6.3
107.08578	15.1
109.10178	20.9
111.08084	76.1
111.11719	3.1
119.08559	9.2
121.10150	13.4
122.06868	1.7
123.11742	8.0
125.09649	4.3
131.00597	1.6
131.08539	2.1
133.10124	7.0
135.11691	9.7
137.09433	1.6
137.13243	4.9
145.10080	3.6
147.11700	6.2
149.13245	7.6
157.10173	2.2
159.11674	5.6
161.13261	4.7
163.14809	3.7
167.10634	2.1
173.13283	2.2
175.14781	3.5
177.16400	3.2
187.14830	3.2
189.16310	2.9
191.17964	2.3
191.48012	1.5
201.16452	2.5
203.17981	4.1
205.19507	7.5
217.16017	1.9
217.19592	2.8
219.17241	2.6
231.21100	2.5
235.16811	1.8
257.45468	1.7
404.77914	1.6
423.36508	4.2
441.37463	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05507	18.2
56.49273	6.6
56.86172	5.6
57.07066	8.4
67.05527	33.0
67.81144	5.4
69.07070	45.5
69.16647	14.7
69.17051	44.4
72.04506	19.6
79.05476	9.6
81.07061	71.5
83.08624	20.8
83.82010	5.0
88.60943	5.3
91.05482	12.6
93.07058	46.6
95.08620	98.3
97.10163	12.8
104.29134	5.9
105.07008	25.9
107.08611	67.2
109.10171	86.5
111.11770	10.8
119.08599	27.3
121.10142	51.5
123.11668	34.4
133.10144	39.5
135.11703	37.2
137.13255	20.7
145.10124	6.9
147.11673	20.6
149.13257	24.1
159.11700	8.8
161.13283	11.2
163.14815	14.7
167.10646	12.4
175.14810	18.5
177.16347	6.3
189.16299	6.5
191.17900	13.0
195.13786	10.0
203.17944	17.8
205.19601	30.2
217.19563	26.9
223.16896	7.9
229.19362	6.2
231.21091	14.8
245.22627	25.2
257.22672	10.5
271.24271	10.2
293.57336	5.3
299.27380	10.5
303.23053	11.7
371.29425	6.1
423.43811	18.1
441.32291	5.4
441.37222	100.0
441.44778	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.51721	2.5
55.05513	18.1
57.07075	13.8
67.05501	20.6
69.07069	35.5
71.08619	8.7
79.05484	10.8
81.06596	3.8
81.07059	52.6
82.47728	2.5
83.08625	19.9
85.10186	3.7
87.04449	3.5
91.05468	10.0
93.07066	31.0
95.08612	100.0
97.10159	9.7
105.07014	17.2
107.08602	48.9
109.10162	69.5
111.08072	6.0
111.11710	11.6
117.07001	3.6
119.08588	35.7
121.10161	46.4
123.08113	3.6
123.11714	32.0
131.08543	6.8
133.10133	32.4
135.07983	3.0
135.11699	22.5
137.09587	2.5
137.13266	16.1
139.11171	3.5
143.08540	5.4
145.10118	13.6
147.11714	18.4
149.13257	22.5
157.10091	6.5
159.11656	14.3
161.09595	3.0
161.13217	15.8
163.11171	4.0
163.14847	12.5
171.11702	6.9
173.13275	15.4
175.11301	3.5
175.14839	12.6
177.12691	5.0
177.16370	14.6
185.13194	3.9
187.14825	9.2
189.16406	15.3
191.17940	19.4
193.19455	3.0
199.14803	7.6
201.16393	8.1
201.64233	3.1
203.17975	8.6
205.19522	16.1
207.17451	2.8
213.16446	5.5
215.17924	7.0
217.15883	6.4
217.19545	11.3
219.17310	3.7
219.21042	2.6
227.17813	3.7
229.19559	5.4
231.17397	5.6
231.21060	7.7
235.16940	11.8
243.20990	4.5
245.18930	3.0
245.22629	7.6
249.18497	4.8
258.19022	2.7
267.21140	3.1
269.22638	3.9
277.21866	2.9
283.24283	3.3
297.25589	2.7
323.27249	3.4
397.02444	2.8
405.35217	49.0
406.30215	6.8
423.36179	35.3
441.31836	7.5
441.37262	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55198	3.6
52.27522	4.6
55.05516	17.5
57.07067	10.2
57.78226	3.9
64.00666	3.8
67.05506	27.2
69.07074	23.9
69.45068	17.5
69.45476	9.5
79.05492	18.1
79.09074	3.9
81.07069	50.1
83.08615	22.6
88.00050	3.8
91.05489	15.7
93.07042	32.7
95.08609	100.0
97.06571	4.5
97.10183	16.2
98.20723	3.5
105.07034	19.9
107.08611	64.5
109.10164	90.2
111.11713	6.1
119.08598	20.6
121.10161	67.5
123.08190	4.4
123.11720	39.2
133.10124	32.4
135.11705	42.1
137.13255	14.8
143.10667	4.9
145.10158	7.3
147.11729	19.9
149.09749	4.2
149.13268	28.7
151.14796	6.0
153.09155	12.4
155.68927	3.7
159.11699	9.8
161.13264	15.6
163.14844	15.1
167.10704	22.9
175.14845	11.1
176.71919	3.7
177.16400	6.5
179.10829	4.1
181.12154	8.8
189.16397	9.5
191.18013	27.0
195.13818	7.9
203.17940	25.0
205.19536	34.6
217.19638	33.3
219.21059	7.0
223.16977	7.3
231.21176	8.4
235.16934	5.1
245.22722	14.0
249.18571	8.5
299.27545	8.3
303.23111	4.6
371.29373	4.4
441.37344	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05498	2.2
55.50560	0.4
57.03434	0.4
57.07059	1.4
60.12034	0.4
67.05502	4.0
69.03415	1.2
69.07072	5.3
69.38965	0.5
71.08636	0.5
71.44021	1.0
79.05479	1.9
81.07064	10.8
83.04977	3.3
83.08614	1.8
85.06509	0.6
91.05468	2.0
93.07044	6.6
95.04953	1.9
95.08612	17.1
97.06524	1.4
97.10167	1.2
105.07033	3.8
107.08595	11.5
109.06506	1.7
109.10161	9.0
111.08102	1.0
111.11743	1.2
119.08585	6.4
121.06514	2.1
121.10149	9.0
123.08078	1.8
123.11723	6.1
125.09651	0.9
129.49179	0.5
131.08598	1.4
133.10115	4.9
135.08060	3.8
135.11697	10.0
137.09592	1.5
137.13255	4.0
139.11217	0.6
143.08569	1.0
145.10136	1.8
147.11726	2.8
149.09630	12.9
149.13278	4.1
151.11194	1.1
151.14885	0.6
153.12830	0.6
157.10124	0.7
159.11703	2.2
161.09531	0.6
161.13277	2.5
163.11198	1.9
163.14818	2.0
171.11719	1.0
173.13223	1.7
175.14842	2.7
177.12804	0.9
177.16411	2.0
179.14317	0.7
185.13304	0.7
187.14819	1.6
189.16428	4.8
191.14374	0.5
191.17967	5.0
201.16393	0.6
203.17978	1.3
205.15945	0.5
205.19551	1.4
213.16345	0.8
215.17896	2.9
217.15817	0.9
229.19406	0.8
231.17439	1.4
233.19052	4.7
235.17004	2.3
241.19398	0.7
243.21146	1.2
261.22162	0.8
269.22745	1.2
285.22327	0.7
287.23718	7.7
301.25385	0.6
378.70880	0.5
405.35254	0.7
412.60544	0.5
423.36588	2.9
441.37296	100.0
442.37601	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
54.17826	0.8
54.20900	0.9
55.01861	2.3
55.05514	8.7
57.03432	3.0
57.07065	1.2
59.05000	2.5
60.04462	0.8
61.02926	2.0
67.05508	1.6
69.03436	8.8
69.07073	100.0
69.35056	0.7
69.73182	1.7
69.73599	2.9
70.06586	1.2
70.85261	0.7
71.01350	1.1
71.04996	2.2
73.02914	5.4
77.04670	0.8
79.05489	1.0
81.03407	2.8
81.07020	0.9
83.08618	1.0
85.02911	20.0
86.06066	2.3
86.09721	1.3
87.04449	0.8
89.06039	2.6
91.05489	1.3
93.07056	1.1
97.02898	12.7
98.20892	1.1
99.04462	1.4
103.03938	1.1
105.07043	1.4
107.04951	1.1
109.02881	3.2
111.11727	52.8
115.03937	4.1
121.10143	1.0
127.03920	7.3
129.12767	64.2
133.04999	3.8
133.10132	1.0
143.08493	0.9
145.04988	5.2
147.04411	1.3
147.13818	20.2
149.05922	1.0
161.09627	1.4
163.03918	7.6
163.06010	2.8
175.14874	1.1
178.02690	0.7
189.09032	0.9
193.04930	4.5
193.12273	1.3
193.54832	0.8
197.21953	0.8
223.06094	1.7
229.92500	0.9
249.11133	0.9
333.97278	0.8
432.90112	0.9
441.17099	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05501	2.8
56.41280	0.6
57.07065	1.9
57.12918	0.6
58.90653	0.7
64.31733	0.6
67.05508	6.0
69.07072	5.1
69.23988	6.1
71.05000	4.7
79.05483	2.5
81.07062	11.3
82.39778	0.6
83.08607	2.3
85.06541	1.8
91.05472	1.7
93.07050	6.4
95.08064	1.1
95.08620	15.0
95.61180	0.6
97.10158	1.9
99.36053	0.5
102.00853	0.7
105.07030	3.2
107.08601	10.9
107.09321	1.1
109.06464	0.7
109.10165	13.4
111.08086	1.5
111.11729	0.9
117.07098	0.7
119.08595	4.1
121.06541	1.1
121.10144	10.7
123.08110	1.2
123.11716	14.9
131.08527	0.8
133.10152	4.9
135.08044	2.0
135.11719	7.1
137.13274	3.9
139.11191	1.0
145.10156	2.3
147.11734	3.0
149.09642	2.1
149.13277	8.2
150.56049	0.7
151.11194	1.1
151.14830	0.8
159.08116	0.7
159.11693	2.4
161.13258	2.2
163.11171	0.7
163.14861	2.8
173.13251	1.4
175.11203	1.0
175.14766	1.6
177.12616	0.8
177.16399	0.9
179.18008	1.1
187.14856	1.9
189.12730	0.8
189.16405	1.3
191.18001	1.7
192.33234	0.6
201.16393	1.3
203.18002	1.6
205.19533	2.8
217.19586	1.0
219.17546	0.8
229.19534	0.7
245.22801	0.7
257.22815	0.7
287.23782	0.9
289.21674	2.7
301.25278	4.5
341.32104	0.7
368.90945	0.7
371.33322	0.8
405.70563	0.6
423.36108	1.8
441.37320	100.0
442.37729	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72500	3.1
53.03939	6.5
53.74133	2.7
55.01871	5.4
55.05497	10.0
57.03430	4.2
59.05001	6.3
67.05494	13.2
68.99821	4.6
69.03438	20.0
69.07052	13.4
69.89629	13.9
71.04980	9.2
72.74542	2.7
79.05490	8.9
80.29591	3.1
81.03424	18.8
81.07068	24.2
83.04969	6.5
83.08607	5.7
85.02927	20.9
85.06540	4.3
87.00814	8.5
91.05482	19.1
92.18048	2.9
93.07059	20.8
94.53499	2.9
95.04989	17.5
95.08616	33.3
97.02888	13.5
97.06525	6.3
99.04459	7.3
99.08109	6.6
103.03942	3.5
105.07055	25.5
107.08607	28.1
109.02876	13.1
109.06561	14.1
109.10164	12.8
111.08044	3.5
115.03902	4.3
117.07026	6.1
119.04897	3.5
119.08591	56.7
121.06543	5.3
121.10160	12.4
123.04433	4.0
123.08041	5.8
123.11729	14.3
125.09647	3.9
127.03889	15.1
129.01804	3.5
129.07005	5.2
131.08591	12.8
133.10146	100.0
135.08014	6.9
135.11685	27.1
137.06020	8.6
143.08516	5.2
145.05069	3.0
145.10130	13.3
147.04439	14.2
147.08102	7.4
147.11670	12.9
149.09610	6.3
149.13261	4.7
151.11154	3.6
157.10152	6.8
159.08060	4.9
159.11740	11.7
161.09653	15.4
161.13275	7.4
163.11247	5.6
165.12756	3.7
167.07153	3.7
169.10234	3.1
171.11694	8.4
173.13263	13.4
175.14842	72.2
183.02875	4.0
183.11665	3.5
187.14795	3.8
191.14395	4.7
191.18001	3.8
193.12103	4.1
193.15883	10.3
199.14780	4.2
203.10692	3.7
203.14307	5.0
207.11528	4.1
207.13808	4.4
215.14371	4.8
217.15887	9.1
224.75938	3.2
235.16960	12.1
241.15790	3.3
264.07898	3.2
277.18103	6.2
282.05167	3.4
283.17059	6.5
289.05051	3.8
301.18033	5.9
309.04007	3.2
310.04767	6.2
314.04233	5.4
320.06610	5.5
325.07108	5.4
329.06503	7.3
348.06421	4.7
351.05051	4.6
353.06564	7.9
356.10449	3.3
365.06595	4.4
366.07410	8.1
371.95764	3.3
379.04550	5.9
381.05881	10.1
381.10193	16.0
395.07556	9.2
397.18198	7.9
399.07120	13.8
409.09308	27.9
423.20154	9.3
441.16992	33.4
441.21448	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72500	3.1
53.03939	6.5
53.74133	2.7
55.01871	5.4
55.05497	10.0
57.03430	4.2
59.05001	6.3
67.05494	13.2
68.99821	4.6
69.03438	20.0
69.07052	13.4
69.89629	13.9
71.04980	9.2
72.74542	2.7
79.05490	8.9
80.29591	3.1
81.03424	18.8
81.07068	24.2
83.04969	6.5
83.08607	5.7
85.02927	20.9
85.06540	4.3
87.00814	8.5
91.05482	19.1
92.18048	2.9
93.07059	20.8
94.53499	2.9
95.04989	17.5
95.08616	33.3
97.02888	13.5
97.06525	6.3
99.04459	7.3
99.08109	6.6
103.03942	3.5
105.07055	25.5
107.08607	28.1
109.02876	13.1
109.06561	14.1
109.10164	12.8
111.08044	3.5
115.03902	4.3
117.07026	6.1
119.04897	3.5
119.08591	56.7
121.06543	5.3
121.10160	12.4
123.04433	4.0
123.08041	5.8
123.11729	14.3
125.09647	3.9
127.03889	15.1
129.01804	3.5
129.07005	5.2
131.08591	12.8
133.10146	100.0
135.08014	6.9
135.11685	27.1
137.06020	8.6
143.08516	5.2
145.05069	3.0
145.10130	13.3
147.04439	14.2
147.08102	7.4
147.11670	12.9
149.09610	6.3
149.13261	4.7
151.11154	3.6
157.10152	6.8
159.08060	4.9
159.11740	11.7
161.09653	15.4
161.13275	7.4
163.11247	5.6
165.12756	3.7
167.07153	3.7
169.10234	3.1
171.11694	8.4
173.13263	13.4
175.14842	72.2
183.02875	4.0
183.11665	3.5
187.14795	3.8
191.14395	4.7
191.18001	3.8
193.12103	4.1
193.15883	10.3
199.14780	4.2
203.10692	3.7
203.14307	5.0
207.11528	4.1
207.13808	4.4
215.14371	4.8
217.15887	9.1
224.75938	3.2
235.16960	12.1
241.15790	3.3
264.07898	3.2
277.18103	6.2
282.05167	3.4
283.17059	6.5
289.05051	3.8
301.18033	5.9
309.04007	3.2
310.04767	6.2
314.04233	5.4
320.06610	5.5
325.07108	5.4
329.06503	7.3
348.06421	4.7
351.05051	4.6
353.06564	7.9
356.10449	3.3
365.06595	4.4
366.07410	8.1
371.95764	3.3
379.04550	5.9
381.05881	10.1
381.10193	16.0
395.07556	9.2
397.18198	7.9
399.07120	13.8
409.09308	27.9
423.20154	9.3
441.16992	33.4
441.21448	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.17463	0.5
59.04996	0.5
64.13020	0.5
68.99779	0.6
69.03429	1.2
69.07076	0.6
69.79185	1.8
70.06620	0.7
71.01360	7.4
79.05455	0.5
81.07056	1.1
85.02921	0.6
91.05473	1.3
93.07037	1.0
95.08620	1.2
98.57752	0.5
99.04404	0.5
105.07018	1.1
107.08611	1.1
109.10161	0.9
111.04462	0.5
119.08578	1.2
121.10155	0.6
123.08092	0.6
123.11652	0.7
131.08575	0.8
133.10147	0.9
138.48930	0.6
145.10091	0.6
147.04420	10.3
147.06241	0.6
147.08063	0.6
147.11690	0.8
166.99837	0.8
167.07094	1.0
168.00560	2.0
169.01355	1.5
171.04462	3.1
183.02997	0.7
184.07315	0.8
185.00725	0.7
186.01614	0.9
187.09441	0.8
199.04051	0.6
212.04689	0.8
213.05490	0.9
216.04196	1.9
221.52325	0.6
241.04959	1.6
254.05742	2.2
264.04092	0.8
265.04886	1.4
266.05685	0.8
268.03671	4.4
269.04449	2.3
279.06519	0.6
281.04385	2.3
282.05258	8.0
283.05997	1.6
284.03397	0.8
285.03964	1.5
286.04767	2.0
289.04941	1.1
292.03751	3.4
292.06628	0.8
293.04492	1.9
294.05469	0.6
296.03214	5.1
297.03885	1.2
301.07120	5.0
307.05972	4.6
309.04022	6.2
310.04712	12.9
311.05481	3.9
313.03271	1.3
313.06808	0.7
314.04218	36.8
320.03244	4.0
320.06598	0.9
321.04025	1.3
325.07086	15.7
328.05823	1.2
329.06573	39.8
330.07034	0.6
335.05551	4.9
335.09204	0.9
336.06018	0.7
337.03448	9.1
338.04230	15.9
338.08276	1.2
339.04779	0.8
340.02203	2.5
348.02618	1.8
348.06619	0.7
352.05786	6.7
353.06589	30.1
355.04486	2.3
363.04996	2.5
366.03787	2.8
379.04630	1.4
381.06018	49.5
382.06503	0.7
384.04956	1.1
385.08917	0.9
395.07639	1.5
399.07147	100.0
400.07321	1.6
409.09341	3.1
423.06927	1.0
440.23334	1.0
441.17416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
55.05505	5.6
57.03442	21.6
59.04997	3.1
60.09906	1.5
61.02932	15.1
65.75468	1.5
67.05506	3.5
69.03439	40.3
69.07076	73.0
69.20067	13.3
71.01350	5.1
71.04971	3.1
73.02926	72.7
73.78715	1.5
79.05485	4.7
81.03418	7.0
81.07059	8.3
83.08624	3.0
85.02918	100.0
85.06573	2.2
87.04470	5.0
91.03980	2.8
91.05445	2.7
93.07034	3.8
95.08649	3.6
97.02905	65.5
98.20715	3.1
99.04467	4.8
99.08080	4.5
103.03939	4.5
105.07047	2.5
107.04997	2.1
107.08583	3.5
109.02889	10.0
109.06483	1.8
109.10165	3.0
111.04456	2.4
111.11031	2.7
111.11742	30.7
115.03948	31.4
119.08598	3.7
121.06537	2.1
121.10140	2.0
123.11724	2.6
126.72021	1.6
127.03928	37.7
127.11182	2.2
131.08575	2.7
133.04984	39.4
133.10146	3.3
139.11247	1.9
141.12756	1.8
145.04984	41.9
145.67390	1.7
147.04393	2.7
149.09610	3.1
150.07651	2.7
157.12254	4.9
157.82539	1.6
161.09589	1.8
163.06047	23.0
167.10683	3.6
169.05058	2.2
169.12250	3.2
189.12801	1.6
193.04947	2.6
199.06052	2.6
205.04985	2.2
207.13864	2.5
217.07074	2.9
223.06108	8.1
224.64468	1.7
225.14926	4.5
237.15025	1.7
241.07156	12.9
243.15891	5.7
259.08130	17.8
261.17026	3.7
273.16977	6.0
277.09512	2.7
291.18054	11.5
295.10193	3.0
398.55008	1.6
440.23346	3.0
441.17334	6.1
441.24594	7.3
461.82669	1.9
464.66507	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01871	8.2
55.05509	8.0
57.03449	15.4
57.07084	4.2
59.05003	2.7
61.02945	12.6
67.05502	2.3
69.03089	2.8
69.03445	41.7
69.07082	73.8
69.42169	6.7
69.42605	6.8
71.01359	4.1
71.05000	3.6
73.02932	73.7
79.05508	2.6
80.20953	1.5
81.03442	10.1
81.07065	6.3
83.08630	10.3
85.02924	100.0
85.06551	7.3
87.00858	2.4
87.04519	4.3
91.05489	5.3
93.07066	4.0
95.04991	2.6
95.08642	6.1
97.02912	58.4
97.10157	3.3
98.21618	2.2
99.04495	4.6
99.08112	2.2
100.56696	1.9
103.03957	2.9
105.07038	3.3
107.08622	5.1
109.02921	10.2
109.10164	2.7
111.08083	10.3
111.11742	25.8
115.03944	31.7
119.04981	2.4
119.08574	4.1
121.06586	2.0
121.10207	2.7
123.08109	1.9
123.11770	2.3
125.09660	2.0
127.03941	33.2
127.11186	4.6
129.11871	3.8
129.12781	43.1
133.04993	31.1
133.10138	4.1
135.11697	3.1
137.09615	3.8
139.11206	3.5
141.12766	20.4
145.04990	36.4
147.04431	16.4
147.11717	2.2
150.07635	3.4
152.35132	2.0
155.10732	3.0
155.14345	4.7
156.14645	3.3
157.15921	8.2
159.11725	2.5
163.06053	13.0
165.12733	2.0
167.10699	2.1
169.12256	2.1
173.15465	3.5
175.11197	2.4
177.12796	3.8
179.10640	4.1
185.79089	2.0
195.13850	3.3
197.11853	3.2
207.13867	3.0
219.13844	3.2
223.06047	5.4
225.14923	2.4
233.41652	1.8
237.14880	6.5
241.07126	6.2
255.15944	11.8
259.08231	6.0
261.17023	2.2
273.16977	14.3
277.09210	2.7
291.18076	27.4
295.10226	2.2
346.16541	2.1
370.17899	2.1
440.23456	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	440.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55183	1.4
50.72391	1.3
55.05509	3.0
57.01457	1.4
57.07082	34.9
59.04982	1.9
66.40713	1.5
67.05540	1.8
69.07063	2.5
71.08637	39.2
73.06556	5.9
76.40806	1.5
81.07040	2.6
83.08633	4.2
85.10194	30.2
86.45229	1.6
87.04470	2.6
89.06039	100.0
93.07027	3.2
94.07420	1.6
95.08596	2.1
99.11754	2.0
107.07074	1.9
117.09132	2.7
119.08557	1.8
130.08653	2.1
133.08617	52.7
141.16374	3.3
147.11719	1.6
151.09666	2.2
153.78119	1.7
153.93365	1.6
175.14803	2.0
177.11256	20.7
185.19016	4.4
221.13884	3.2
226.21640	2.1
229.21594	11.2
239.14883	5.9
250.49036	1.5
273.24301	7.2
283.17535	18.1
345.61539	1.5
423.33292	34.1
440.36481	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
57.07080	56.6
59.05006	17.3
59.16819	0.9
60.91666	0.9
65.36913	0.8
67.05512	1.6
69.07068	4.0
70.77127	2.1
71.08636	100.0
73.06567	1.3
81.07062	2.1
83.08605	1.6
85.10188	59.8
87.04472	2.4
89.06036	62.9
93.07088	1.1
95.04995	1.2
95.08607	1.5
97.10189	1.1
103.07580	4.3
105.07043	2.2
107.07068	1.2
107.08607	2.1
109.10172	2.0
109.84645	1.0
112.53721	0.9
121.10146	1.3
127.14860	10.5
127.43327	1.0
130.08667	2.0
131.07031	1.4
131.08582	1.2
133.08611	66.6
135.11734	1.7
155.10873	1.0
159.11790	1.2
175.09712	1.1
177.11279	14.3
178.06769	1.1
185.19044	12.8
195.12175	1.2
221.13908	6.7
229.21620	5.4
239.14897	30.0
279.18155	3.6
283.17557	13.2
297.19135	4.5
423.33142	16.6
440.36377	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75615	0.6
53.03952	1.6
53.61901	0.5
53.79856	0.7
55.01864	1.6
55.05510	1.2
59.03067	0.5
60.13570	0.5
67.05515	0.8
68.99791	2.4
69.03435	0.7
69.07070	2.3
69.15585	4.2
69.16007	2.0
71.01355	2.2
78.89341	0.5
80.52467	0.6
81.03438	0.9
81.07056	2.1
83.08584	0.6
89.06037	0.7
91.05464	1.2
93.07033	1.2
95.08606	2.0
97.02894	1.0
105.03395	1.6
105.07072	1.3
107.08588	1.7
109.02894	7.1
109.10177	1.5
109.41801	0.7
110.10488	0.8
119.08614	1.7
121.10140	1.2
127.03926	73.5
132.26436	0.8
133.10135	0.9
134.03642	0.7
135.04445	1.1
140.48286	0.6
141.05138	0.5
143.08328	0.6
145.10132	1.4
146.67776	0.5
147.11769	0.7
157.10155	0.7
159.11748	0.8
165.09151	0.8
166.99736	0.8
168.00508	1.5
169.01257	0.6
171.04469	0.6
185.00870	1.6
185.13297	0.6
186.01627	0.7
186.06761	0.6
187.03975	0.7
198.29512	0.7
199.03941	0.7
213.05565	1.6
214.06224	0.9
215.14284	0.7
216.04201	2.8
217.05005	0.9
227.03305	0.7
228.04213	1.3
241.04996	2.5
242.05817	1.3
243.06458	0.7
244.03696	15.8
245.04419	5.9
251.60289	0.6
254.05780	1.2
256.03741	2.6
256.06503	0.6
257.04413	0.6
259.06033	10.8
260.06879	1.0
268.03732	1.2
269.04547	3.0
270.05261	2.8
272.03217	2.9
273.03934	8.6
283.02502	1.4
283.06131	1.2
284.03207	4.0
285.03998	1.2
286.04776	1.8
287.05518	19.1
298.04755	5.7
299.05566	2.0
300.02655	2.6
301.03500	4.9
301.06900	1.0
302.04196	0.9
309.04147	1.5
310.04834	1.8
311.05652	1.8
312.06287	0.7
313.03488	1.5
315.04990	24.0
316.05798	19.2
317.06519	0.9
324.06253	0.9
325.03558	1.0
325.07074	1.0
326.04254	6.8
326.57056	0.8
327.05026	2.2
328.05756	0.8
338.04196	4.4
339.05115	0.8
340.05844	3.1
341.06577	7.1
352.05911	2.1
353.06717	3.4
355.08194	6.6
366.03726	1.1
367.08063	1.4
371.07645	7.2
380.05359	2.3
381.05954	6.3
395.07587	6.3
408.04984	1.6
423.01233	0.8
423.07132	28.8
441.08203	100.0
442.08533	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0821
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
53.03944	0.9
53.79854	0.5
55.01868	0.9
55.05508	0.7
57.83300	0.5
67.05495	1.6
68.99793	1.9
69.07056	1.7
69.92046	2.4
69.92392	0.9
70.97669	0.5
71.01348	1.0
79.05494	1.1
81.03432	0.7
81.07053	2.1
89.06025	1.4
91.05482	1.0
93.07053	1.2
95.08631	2.6
97.02881	1.0
97.06535	1.0
105.03412	1.6
105.07037	1.0
107.08585	1.6
109.02908	6.1
109.10169	1.8
116.61310	0.5
117.06995	0.7
119.08598	0.8
121.10136	0.8
126.03118	1.5
127.03930	59.7
131.08621	0.6
133.10124	1.1
134.03587	0.6
135.04427	0.7
135.11670	0.8
143.08548	0.7
145.06552	0.9
147.11632	0.8
155.04813	0.5
160.05110	0.6
165.09158	0.8
166.99779	1.1
168.00607	0.8
171.04462	0.7
183.02913	1.0
185.00853	2.0
185.06021	0.7
187.03969	0.6
188.04767	0.6
199.03928	0.9
213.05470	1.6
216.04204	4.3
217.05058	0.8
227.03423	0.7
228.04189	1.6
229.04877	0.6
233.40558	0.5
240.04224	0.6
241.05019	2.1
242.05855	1.1
243.06601	0.6
244.03690	20.3
245.04437	5.7
254.05721	0.8
256.03732	2.8
257.04498	1.0
259.06070	11.7
260.06784	0.8
268.03784	1.0
269.04474	1.9
270.05276	2.2
271.05875	1.0
272.03146	3.6
273.03983	9.1
282.05347	0.8
283.02328	1.0
283.05975	0.8
284.03180	4.4
285.04083	0.8
286.04648	1.5
287.05524	21.2
288.06097	1.1
297.03925	1.0
298.04739	6.6
299.05502	3.3
299.08481	0.7
300.02637	2.9
301.03491	5.7
301.06799	0.8
302.04285	0.9
303.05035	0.6
303.96103	0.6
309.03922	0.9
309.70465	0.6
310.04721	0.8
311.05478	0.7
312.06287	0.6
313.03592	0.8
313.07227	0.8
315.05005	19.8
316.05789	22.0
317.06345	1.1
325.03589	1.0
326.04260	7.1
327.04956	2.6
335.05182	0.6
337.03452	1.0
338.04175	3.0
340.05820	2.8
341.06622	6.4
351.04858	0.8
352.05807	2.3
353.06644	3.3
355.04187	1.0
355.08105	6.3
366.03680	1.5
367.08051	1.0
371.07513	3.1
380.05255	2.1
381.06061	6.5
389.64059	0.6
395.07697	4.2
399.07083	2.4
408.04779	0.8
423.07129	30.3
424.07257	0.7
440.36093	0.8
441.08212	100.0
441.26581	2.4
442.08508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.52611	2.2
55.05511	17.4
57.07069	3.4
57.51082	2.2
65.38055	2.4
67.05508	16.5
69.07070	25.6
70.58192	3.0
70.58527	6.6
79.05471	7.3
79.20161	2.2
81.07065	32.2
83.08635	17.4
85.06536	4.1
89.06024	7.7
89.33528	2.3
91.05483	5.4
93.07053	21.2
95.08617	48.2
97.06527	3.8
97.10172	17.3
105.07056	23.9
107.08586	37.1
107.36272	2.9
109.09473	3.4
109.10160	30.8
111.11706	6.7
117.07011	2.8
119.08598	30.6
121.10157	39.4
123.11726	13.7
125.09602	3.6
129.07005	2.9
129.94589	2.4
131.08582	8.6
133.08612	5.2
133.10132	24.5
135.11700	17.8
137.13254	10.2
138.51942	2.4
143.08516	5.3
143.10651	5.3
145.10162	12.1
147.11678	21.5
149.13264	10.6
157.10139	4.7
159.11731	15.0
161.09645	3.9
161.13263	15.3
163.14848	5.4
167.10687	8.0
171.11653	7.4
173.13316	6.0
175.11275	6.5
175.14819	9.7
177.16420	5.9
180.02118	2.6
185.13255	6.0
187.14807	9.7
189.16391	11.2
191.10724	4.3
191.17889	9.5
195.13766	5.5
199.14842	5.1
201.16370	5.0
203.17967	10.2
204.91658	3.1
205.19456	3.7
215.17952	4.8
217.15828	2.8
217.19519	7.9
218.61964	2.5
221.15364	8.8
227.17966	2.9
229.19543	3.0
231.21077	9.4
235.17017	5.7
239.14842	5.5
240.15123	4.8
245.22627	3.2
247.16997	2.7
255.21049	3.1
297.25812	19.5
299.68253	2.6
311.27466	5.4
325.28845	8.8
348.22824	2.7
393.35529	3.5
397.30939	4.7
403.33777	3.0
407.93808	2.5
421.34622	6.6
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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05523	5.2
57.07060	1.3
67.05513	8.0
69.03423	2.0
69.07072	7.5
79.05505	3.4
81.07057	14.1
83.04970	1.4
83.08631	2.6
89.06040	3.6
91.05487	3.7
93.07043	7.4
95.04967	1.2
95.08617	41.2
97.10210	1.5
105.07040	9.0
107.08611	12.1
109.06532	2.9
109.10162	16.1
111.11720	2.3
119.08591	9.7
121.06494	1.7
121.10158	11.7
123.08104	3.8
123.11731	7.7
131.08583	2.2
133.08621	2.5
133.10133	10.2
135.08075	2.5
135.11694	6.0
137.09686	1.3
137.13264	4.9
143.08578	1.9
145.10156	4.4
147.11693	7.3
149.09625	5.8
149.13271	5.4
151.11157	1.2
157.10165	3.5
159.08038	1.6
159.11790	4.9
159.12881	1.1
161.13310	3.5
163.11223	1.6
163.14859	2.9
167.10698	1.8
171.11743	2.4
173.13274	3.2
175.11171	1.5
175.14835	5.1
177.16408	2.7
185.13365	2.2
187.14874	3.8
189.16405	5.6
189.85312	1.1
191.17915	3.9
199.14890	1.8
201.16393	3.4
203.17993	3.0
205.15852	1.7
205.19501	2.5
213.16403	1.6
215.14383	2.1
215.18008	2.3
217.15956	2.0
217.19559	2.4
221.15353	1.4
223.01385	1.1
227.17941	1.3
229.19525	1.6
231.21048	1.3
233.15479	1.3
238.86868	1.1
239.14958	3.2
240.15398	2.0
241.19696	1.1
257.22610	1.3
269.22736	1.5
283.20737	1.4
287.23602	1.6
290.54791	1.2
301.21600	1.4
327.26709	5.3
363.30255	1.4
381.31525	2.0
403.33618	1.8
421.34656	29.2
439.35779	100.0
440.36053	2.4
449.53979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42397	0.9
53.03936	1.6
55.01873	8.5
55.05515	9.7
57.03442	18.0
57.07062	0.9
58.57399	0.8
59.04994	1.8
61.02930	14.6
67.05495	3.0
69.03436	39.2
69.07075	59.5
69.34021	3.6
69.34441	3.3
71.01350	5.0
71.05009	1.6
73.02924	89.1
79.05489	1.6
81.03424	8.7
81.07054	2.7
83.04990	1.5
85.02914	100.0
86.01328	0.8
86.03222	1.0
87.04467	4.0
91.03952	3.0
91.05475	2.3
93.07030	1.0
95.04988	1.9
95.08610	2.3
97.02899	64.0
99.04462	4.9
101.02352	1.0
103.03936	3.3
105.07024	1.4
107.08604	1.1
109.02889	10.2
109.06538	1.4
109.10174	2.1
111.04450	1.5
111.11729	32.3
111.64772	0.8
113.09705	1.0
115.03937	35.1
119.08591	1.1
121.06491	1.1
123.11705	1.6
127.03929	33.2
132.06506	1.2
133.04976	41.4
133.10144	1.1
133.84261	0.8
135.11728	1.2
145.04970	52.9
147.11736	1.2
150.07671	5.0
153.12711	0.9
157.04953	1.2
163.06030	28.4
163.07420	1.5
164.14253	0.8
169.04974	0.9
189.12862	1.0
193.04874	1.8
199.06017	1.9
207.13852	1.4
217.07091	1.6
223.06062	10.1
225.14842	2.8
227.30634	0.8
237.14897	2.0
241.07098	11.2
243.16010	5.0
255.15891	1.0
259.08176	15.8
273.16946	1.4
277.09158	3.1
295.10297	6.4
295.13199	0.8
381.05759	1.1
399.07068	1.3
440.23376	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	439.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.3
57.07060	2.0
64.87514	1.0
67.05495	6.5
69.03423	1.9
69.07083	9.0
71.08611	1.2
72.46143	0.9
73.54425	0.9
77.37252	1.2
78.57079	1.0
79.05495	3.1
81.07069	12.4
83.04995	1.7
83.08614	2.2
86.09700	4.3
88.11264	1.5
89.06038	3.3
91.05476	2.9
93.07035	8.0
95.08615	43.3
98.20788	2.0
105.07030	7.5
107.08590	10.3
109.06538	2.1
109.10156	12.4
111.08108	1.8
111.11684	1.6
117.90989	0.9
119.08579	10.7
121.06558	1.5
121.10172	11.5
123.08053	3.9
123.11713	6.2
125.09600	1.3
131.08580	3.1
133.08611	3.0
133.10139	9.0
135.08044	2.2
135.11685	7.0
137.09625	1.8
137.13257	4.5
143.08554	1.5
145.10109	5.5
147.11679	5.0
149.09650	6.1
149.13274	5.9
151.11208	1.2
157.10162	2.9
159.08029	1.4
159.11722	7.2
161.09605	1.4
161.13309	4.0
163.11171	2.1
163.14822	1.9
170.11064	1.3
171.11693	2.3
173.09688	2.0
173.13277	3.1
175.11244	1.7
175.14873	6.5
177.12762	1.2
177.16504	1.2
181.12207	1.4
183.11786	1.3
185.13185	1.8
187.11150	1.8
187.14874	4.0
189.12766	1.1
189.16426	6.5
191.17903	1.6
197.13356	1.4
199.14772	2.2
201.16414	3.0
203.17949	3.7
205.15906	2.4
205.19484	2.5
213.16484	1.4
215.14383	2.4
215.17993	3.7
217.16017	1.5
217.19505	1.1
221.15541	1.1
229.15984	1.8
229.19699	1.1
231.17398	1.7
231.21158	2.2
233.19104	1.6
239.14842	2.9
240.15355	2.8
243.21185	2.5
272.83615	1.1
283.20511	1.7
287.23770	2.0
301.21854	1.9
313.25366	1.5
323.27417	1.1
327.26819	4.2
340.26602	1.2
381.31702	3.0
403.33505	2.0
421.34726	31.0
439.35736	100.0
440.35904	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03946	2.2
55.05508	12.7
56.99279	1.6
57.07066	7.3
67.05510	22.8
69.06796	1.5
69.07079	17.2
69.70218	8.6
71.72611	1.7
76.52467	1.8
77.03922	2.2
79.05501	15.5
81.07062	60.8
83.04956	2.4
83.08630	8.5
91.05498	14.2
93.07050	35.6
95.08614	100.0
97.06535	4.7
97.10137	4.7
98.21561	2.2
105.07037	42.2
107.08600	51.3
109.10164	43.4
111.08111	3.5
111.11729	2.2
117.07032	6.8
119.08589	54.7
121.06507	2.3
121.10149	44.3
123.08060	2.5
123.11707	21.0
129.06999	2.9
131.08571	17.9
133.10139	36.1
135.11703	30.6
137.09676	2.3
137.13271	22.4
142.07674	2.9
143.08603	10.0
144.09392	2.6
145.10141	23.5
147.11691	36.3
149.13278	22.3
151.11159	1.8
151.14844	2.3
155.08641	2.0
157.10132	15.3
159.11707	32.0
161.09692	3.5
161.13269	31.9
163.11189	3.8
163.14854	14.4
169.10173	2.4
171.11758	9.1
173.13286	24.3
175.11214	3.3
175.14874	19.0
177.12743	18.2
177.16379	25.1
179.14319	11.3
183.11703	5.3
185.13318	10.7
187.14841	12.0
189.12833	4.4
189.16397	26.3
191.14323	5.4
191.17957	33.8
197.13240	3.0
199.14827	10.6
201.16383	11.2
203.14340	19.9
203.17975	29.4
205.15900	2.5
205.19518	2.7
207.17403	10.3
211.14812	2.6
211.70747	1.6
213.16434	6.2
215.17946	9.3
217.15945	7.0
217.19577	7.1
219.17487	3.1
225.16423	3.7
227.17891	3.5
229.15935	3.6
229.19360	3.8
231.17479	8.1
231.21091	3.5
233.19070	2.3
241.19550	3.4
243.17442	4.9
243.21083	3.4
245.22705	3.5
257.19040	3.9
257.22659	4.4
259.20676	2.5
261.18460	10.4
269.22668	2.8
271.20410	8.2
273.18591	2.8
275.20157	2.9
285.22113	2.8
287.20251	4.4
289.21536	13.3
297.22015	2.8
301.21631	3.3
315.23209	4.1
379.29971	3.5
393.35153	3.2
403.33551	4.9
411.36502	2.0
421.34668	38.4
439.23087	4.3
439.35739	69.1
439.41803	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.03250	1.5
52.82671	1.4
55.05516	11.1
55.97674	1.5
57.07080	9.9
67.05512	29.6
67.53371	1.7
69.07067	17.9
69.99431	4.8
71.08643	4.0
73.66715	1.7
79.05516	10.6
81.07065	52.4
83.04976	2.5
83.08625	11.1
89.06052	6.3
91.05502	5.5
93.07072	15.3
95.08618	84.2
97.10188	7.1
98.21412	2.4
105.07048	13.8
107.08608	19.5
109.10168	55.9
117.07035	1.7
119.08613	16.3
120.79877	1.9
121.10155	18.3
123.08060	2.7
123.11716	31.6
131.08583	7.6
133.08643	3.0
133.10162	15.5
135.11736	11.5
137.13269	33.0
143.08574	4.7
145.10144	13.9
147.11737	9.6
149.13290	9.9
151.14842	10.4
155.08530	2.0
155.10788	1.9
157.10176	9.4
158.10866	2.0
159.11728	15.0
161.09669	2.6
161.13315	6.1
163.14832	6.7
165.09077	2.0
165.16426	3.9
169.10199	2.0
171.11696	12.2
173.09558	2.0
173.13278	11.8
175.11226	2.6
175.14961	4.0
177.09142	2.6
179.17969	8.1
183.11731	3.2
185.13275	4.9
187.11282	2.6
187.14839	7.0
189.12836	2.3
189.16489	2.9
191.10727	2.7
191.18068	2.8
197.13373	3.0
199.14836	3.1
201.12799	2.3
201.16400	5.7
203.17958	3.4
205.12288	2.9
205.19579	3.0
213.16457	5.7
215.14461	3.1
215.17986	5.6
217.12354	2.0
219.13818	4.9
227.14441	1.8
227.18164	2.1
239.14890	6.0
240.15323	3.8
241.19476	2.5
243.21120	2.8
247.17009	3.9
252.36086	1.8
259.16928	2.0
261.18649	3.4
269.22708	3.9
271.20703	2.7
273.18625	2.5
275.20084	8.5
283.24258	3.1
284.68311	1.8
285.22144	1.8
287.20160	7.6
301.21762	4.1
315.23410	2.2
339.30533	2.2
369.27911	2.0
403.33847	1.8
421.34695	5.6
439.35806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05513	8.7
57.07061	4.2
67.05512	22.3
69.07076	20.4
69.23102	2.9
69.77267	5.9
69.77680	10.9
71.04992	2.9
79.05501	17.4
79.46602	2.5
81.07066	55.8
83.08630	8.0
91.05486	18.8
93.07042	31.9
95.05004	3.2
95.08617	100.0
97.10201	5.2
105.07042	38.4
107.08610	57.8
109.06560	4.4
109.10170	41.4
111.08102	3.5
117.07014	4.2
119.08589	53.8
121.10155	42.9
123.08131	2.8
123.11725	20.9
129.06985	3.5
131.08583	16.1
133.10136	37.6
135.11693	28.7
137.13271	21.9
142.07864	2.8
143.08624	7.7
145.10109	21.9
147.11693	31.5
149.13264	19.7
151.14787	3.9
157.10150	17.6
159.11728	29.8
161.13289	30.5
163.14868	14.0
169.10115	3.9
171.11752	9.7
173.13303	23.0
175.11293	3.3
175.14832	17.3
177.12735	20.1
177.16386	19.7
179.14345	14.4
183.11823	3.3
185.13274	7.7
187.14841	12.6
189.16370	23.6
191.14291	4.6
191.17949	29.8
199.14857	10.3
201.16385	10.7
203.14325	18.7
203.18015	27.8
205.15959	4.3
207.17465	5.3
211.14825	4.7
213.16321	6.7
215.14388	4.0
215.17957	10.6
217.15851	5.3
217.19611	7.7
221.19206	2.9
227.18004	4.6
229.16023	4.1
229.19644	6.4
231.17459	11.3
231.21060	3.9
237.16350	3.3
238.55705	3.1
241.19521	5.5
243.21188	5.0
245.22891	3.0
259.20618	4.0
261.18430	8.5
271.20560	4.6
287.19958	3.9
289.21646	7.9
301.21585	3.6
315.23178	4.2
403.33649	4.5
421.34705	36.4
439.13977	3.8
439.35730	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3575
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05506	13.7
57.07079	7.6
60.05460	3.2
67.02930	2.8
67.05508	21.4
69.07069	24.8
71.08633	3.4
71.43185	3.2
71.54902	7.2
79.05494	10.5
81.07056	52.7
81.71758	3.5
83.08627	9.5
87.04436	6.4
89.06042	10.0
91.05495	10.3
93.07053	24.8
93.30595	3.6
95.08614	75.0
97.10158	6.3
99.04484	3.6
105.07057	29.9
107.08614	43.1
109.06554	4.7
109.10175	47.0
111.08107	4.7
111.11678	5.7
119.08591	41.9
121.10167	41.7
123.08063	7.1
123.11708	25.7
131.08575	14.4
133.08638	7.5
133.10158	28.0
135.11708	20.5
137.13275	13.0
143.08566	8.2
145.10144	23.7
147.11673	18.0
149.09680	6.4
149.13278	11.4
156.09303	5.0
157.10133	14.3
159.11694	22.3
161.13271	21.9
163.14807	4.6
170.10841	4.4
171.11699	12.2
173.13251	21.2
175.14807	18.1
177.12775	3.8
177.16341	10.8
183.11655	5.4
185.13319	9.5
187.14839	10.6
189.16396	11.8
191.17921	27.3
197.13229	3.6
199.14857	11.8
201.16400	14.5
203.14299	10.8
203.17978	10.4
205.19498	4.9
211.14655	4.5
213.16473	6.9
215.14429	3.9
215.17972	8.8
217.15872	6.9
217.19490	14.5
219.17400	9.9
221.15346	5.2
225.16415	7.5
229.15819	5.6
229.19427	5.0
231.17464	4.3
231.21072	4.4
233.15417	4.1
235.16982	45.5
239.14919	11.0
240.15244	7.2
242.96492	3.2
243.17300	3.9
243.21031	5.4
245.18919	3.9
261.18555	5.0
269.22687	4.3
311.27267	7.7
353.31778	4.6
403.33624	9.2
421.34622	42.2
439.35767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08653	1.9
55.01860	5.1
55.05517	3.8
57.03428	8.4
61.02933	6.0
67.05508	86.8
69.03433	25.0
69.07072	3.7
70.06591	3.6
70.31931	5.2
71.04993	5.8
73.02921	16.8
79.05497	5.3
81.03413	7.5
81.07052	11.4
83.08633	6.9
85.02913	43.4
85.06557	25.0
87.04456	2.0
91.05488	5.7
93.07080	4.8
95.05010	3.1
95.08636	2.5
97.02910	32.6
99.04444	2.7
103.03930	2.8
105.07066	3.7
108.72794	2.0
109.02900	7.9
109.10167	100.0
110.10538	2.1
111.04467	2.5
115.03937	10.6
123.04477	2.2
123.08111	2.3
127.03938	14.2
127.11211	56.2
133.04988	14.5
135.08035	3.4
137.05975	4.2
145.04958	10.6
147.07970	2.2
163.06113	4.5
175.11223	2.5
178.08684	2.5
178.49374	2.2
191.14482	3.0
216.30032	2.4
223.06035	3.6
231.11382	12.6
231.13474	2.5
241.07175	3.4
247.13283	2.9
259.08301	4.5
259.10822	12.0
277.11902	12.9
421.16238	2.7
439.17450	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.2
55.01870	6.5
55.05518	25.6
57.03445	10.4
57.07072	5.3
61.02914	9.2
67.05511	52.4
69.03436	33.2
69.07081	23.6
71.01373	3.7
71.04996	4.4
71.52390	4.0
73.02914	5.3
76.80804	3.7
79.05505	45.4
81.03413	14.4
81.07072	50.8
83.08628	14.2
83.54305	3.8
85.02917	65.1
85.06544	6.7
87.04459	3.7
91.05486	33.9
93.07056	71.2
95.04970	12.4
95.08623	41.3
97.02892	22.2
97.06525	5.7
97.10191	10.0
99.04474	4.2
103.03973	7.0
105.07037	35.8
107.08611	46.7
108.56608	3.4
109.02886	8.8
109.06488	4.2
109.10165	40.6
111.04494	4.2
111.08019	3.4
117.07042	14.2
119.08585	30.8
121.06519	5.4
121.10159	47.0
123.11717	9.7
125.06008	3.8
125.09709	5.2
127.03912	14.3
129.07037	7.1
131.08562	16.2
133.10162	25.5
135.08083	5.5
135.11703	37.5
137.09644	4.2
141.07005	4.7
143.08543	8.9
145.04965	12.5
145.10109	15.1
147.08035	6.4
147.11705	20.6
149.02377	10.2
149.09570	3.6
149.13307	21.1
150.02832	5.8
151.11279	4.6
155.08578	7.7
157.10117	10.7
159.11688	15.7
161.09680	7.3
161.13335	5.1
163.14801	5.3
169.10051	5.7
171.11688	12.4
173.09756	3.7
173.13283	13.0
183.11688	10.0
185.13298	8.7
187.11157	4.2
189.16382	5.8
191.17964	5.6
193.04942	19.2
194.05322	13.6
195.11877	4.0
199.14879	6.9
203.18002	7.0
213.12769	4.2
231.13414	4.1
235.16966	9.0
259.20575	7.1
275.20084	10.9
277.19113	3.5
277.21649	100.0
287.20236	5.5
289.21729	12.4
301.21732	8.9
313.21530	5.2
319.22714	4.5
321.11874	3.6
339.23111	4.3
343.22736	5.4
349.21912	5.9
367.22739	9.9
385.23734	10.3
403.24731	13.5
410.41876	3.6
421.25671	13.9
439.27048	20.2
439.35721	11.7
441.07794	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	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.4
55.05523	5.5
57.07074	4.3
58.33706	1.1
59.05000	3.1
67.05515	7.1
68.01147	1.0
69.03432	4.4
69.07080	17.4
70.06648	0.9
71.05008	10.1
71.08628	1.1
71.52001	1.7
81.03424	2.0
81.07076	11.1
83.08624	2.7
85.02934	6.1
85.06557	2.1
85.10196	2.9
87.00851	2.7
89.06048	8.9
91.05492	2.2
93.07060	2.2
95.08622	75.3
97.02895	2.5
97.06594	1.2
97.10183	16.1
99.04501	2.6
99.08105	10.7
101.48652	1.0
105.01887	2.4
109.02892	3.4
109.10162	3.3
111.04455	1.0
111.11757	11.1
113.09667	100.0
119.08606	2.0
121.10158	2.4
127.03918	4.9
131.08623	2.0
133.10150	1.4
137.13268	22.6
141.05588	1.4
145.04980	1.8
145.10159	1.8
153.12778	1.4
155.14328	11.9
164.07181	1.2
173.15413	76.0
175.14954	1.1
183.11597	1.0
191.14735	1.1
191.16451	31.1
201.12738	1.4
255.43559	1.0
274.63269	1.0
345.22653	1.0
361.70102	1.2
439.28983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54630	2.3
53.03947	13.6
53.13972	2.3
55.01876	7.9
55.05511	12.1
57.03441	10.9
57.07075	8.9
59.04993	3.2
65.03951	2.7
67.05516	20.2
68.99802	5.1
69.03442	31.8
69.07072	17.5
69.60413	18.0
71.01357	4.3
71.04997	11.2
73.02925	3.8
79.05510	19.7
81.03436	45.4
81.07075	38.9
83.04980	10.0
83.08627	13.9
85.02923	45.9
85.06545	6.8
87.00865	15.8
91.05486	27.7
93.07060	37.2
95.04988	11.4
95.08620	35.9
97.02906	41.1
97.06540	13.4
99.04481	14.2
99.08150	2.9
105.01888	6.5
105.07052	40.4
107.04929	6.6
107.08610	57.4
109.02898	41.3
109.06529	31.0
109.10182	31.3
111.04453	8.1
111.08099	10.8
113.09650	5.5
115.03915	3.3
115.05495	3.5
117.07045	10.6
119.08603	49.3
121.06519	14.2
121.10168	43.2
123.04403	2.9
123.08085	30.8
123.11740	6.9
125.06019	6.2
125.09618	4.3
127.03939	52.5
127.07517	3.2
129.01971	2.6
129.07010	7.0
130.09474	2.8
131.08594	58.7
133.06483	3.4
133.10152	37.7
135.08080	19.9
135.11751	14.2
137.06001	10.4
137.09628	6.5
143.08591	10.0
145.04997	4.5
145.10158	16.7
147.04434	6.4
147.08051	10.4
147.11745	12.4
148.04741	3.2
149.06012	4.5
149.09641	7.9
149.13309	22.2
150.10358	3.9
151.07631	6.5
151.11124	4.2
153.09131	7.6
155.10670	5.9
157.10150	4.2
158.10909	4.7
159.11714	7.1
161.09610	4.4
161.13286	8.6
163.07564	6.3
163.11226	7.6
163.14835	9.6
165.09132	5.0
165.12833	3.0
171.11740	4.6
173.11888	4.9
173.13292	51.6
174.12140	3.7
175.11188	5.6
175.14836	20.8
177.09166	3.1
189.03984	3.7
189.12758	12.7
191.10753	5.8
191.14340	100.0
191.16089	6.2
194.61079	2.9
200.12175	2.4
201.12779	4.1
203.14360	6.5
207.13895	7.8
209.15399	11.2
213.03940	5.7
213.12793	3.4
215.14426	3.9
225.14880	3.9
231.05013	4.7
233.15497	4.1
239.14333	5.6
257.15555	4.6
261.11447	4.4
275.16373	3.6
277.04932	14.8
281.15463	4.3
299.16379	6.7
317.17584	5.5
344.29965	2.9
353.19583	3.9
395.20892	3.8
403.17593	4.8
421.18668	22.7
439.10458	17.8
439.19724	30.3
439.24493	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	439.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24473	1.8
55.01881	3.1
55.05502	3.5
57.03437	6.2
61.02912	3.1
65.03946	1.9
66.80363	1.8
67.05510	100.0
69.03439	19.5
69.07094	4.2
69.66736	10.8
70.06610	3.0
72.74759	1.9
73.02906	8.2
81.03422	5.8
81.07054	10.0
85.02911	33.6
85.06541	4.1
86.09719	2.2
87.04476	4.7
93.07050	2.1
95.08616	5.2
97.02900	23.4
99.04451	2.3
105.07049	2.9
107.08575	3.0
109.02872	4.5
109.10165	92.1
115.03930	9.6
121.10180	2.7
123.04493	2.0
123.08074	3.1
127.03934	7.5
127.11198	24.3
131.08577	1.8
133.04968	15.2
133.10158	2.1
145.04950	8.6
153.30861	2.1
155.14352	3.3
157.37421	2.4
163.06042	2.5
175.81392	1.9
178.08632	3.1
178.60315	1.7
191.08165	3.7
191.31509	1.9
223.05959	2.2
277.06793	5.0
430.13702	2.2
439.11646	2.9
439.17441	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1582
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
55.05503	1.0
56.96572	0.5
63.35832	0.5
67.05512	0.8
69.03429	1.6
69.48266	2.5
69.48672	0.9
70.06600	1.7
71.04983	0.5
73.02899	0.7
74.06069	1.6
79.05486	0.8
81.03414	0.7
81.07059	1.3
83.04991	0.7
85.02908	1.4
86.09724	0.5
91.05483	1.5
92.63309	0.6
93.07050	2.3
95.04971	1.9
95.08636	0.6
97.02912	1.3
99.04476	0.6
102.01557	0.6
105.07025	2.3
109.02864	0.9
109.06519	2.2
111.04440	1.7
113.05968	0.8
118.91304	0.5
119.08575	2.3
120.07371	0.5
120.08071	2.9
121.02857	1.0
121.06516	1.2
127.03934	2.0
131.08549	1.2
133.06499	1.0
133.10133	1.2
137.05965	1.2
144.04797	3.1
145.05043	2.1
145.10109	2.0
147.04411	0.7
157.10168	1.3
159.08121	0.7
159.11763	1.0
161.09634	3.5
175.11182	1.3
177.10329	0.9
183.11670	0.8
185.13240	0.8
187.11151	0.6
189.09151	1.4
201.12772	1.4
203.10703	1.7
211.11195	0.7
219.13770	1.3
229.12230	1.4
247.13295	7.9
306.10062	0.6
307.10336	2.9
414.17792	0.7
421.16354	0.7
439.15802	100.0
440.15799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01859	2.0
55.05508	7.5
56.57521	1.5
57.03439	2.5
57.07090	4.4
59.04990	3.0
67.05512	8.8
68.99802	3.1
69.03432	15.3
69.07062	5.7
69.45569	12.6
70.04068	3.3
70.06580	4.6
71.04989	5.5
76.36757	1.8
79.05489	8.5
81.03424	13.9
81.07056	10.9
82.40051	1.7
83.04994	23.2
83.08628	2.6
85.02909	11.0
85.06536	7.6
87.00831	2.9
91.05482	18.8
93.03416	2.7
93.07066	18.5
95.04971	8.9
95.08624	12.0
97.02903	19.4
97.06500	3.5
99.04460	2.3
99.08087	2.9
105.07043	19.4
107.05042	2.5
107.08599	43.2
109.02884	19.4
109.06507	11.3
109.10162	7.3
111.04457	7.5
111.08099	2.2
113.05976	2.7
113.09639	4.6
117.07013	5.9
119.04998	3.3
119.08583	18.8
121.06523	33.3
121.10159	14.1
123.08057	5.9
123.11759	2.5
127.03920	17.2
131.08583	14.2
133.10141	18.0
135.08070	72.2
135.11674	1.9
136.07579	2.0
137.06018	5.8
137.09636	3.2
137.13245	3.3
143.08562	5.6
144.09329	6.6
145.06494	5.3
145.10112	11.0
147.04446	5.8
147.08081	7.0
149.06102	2.6
149.09636	15.6
149.13261	4.1
150.10384	1.9
151.11201	4.9
153.05577	2.0
155.08571	2.8
155.14311	4.1
158.10968	6.5
159.08066	7.1
159.11681	18.5
161.09639	6.7
161.13266	2.6
163.07549	29.2
168.09395	3.1
170.10963	2.1
171.08054	2.8
172.08812	6.1
173.09607	13.2
173.13271	31.2
173.15424	4.1
175.14787	2.4
177.12781	1.9
183.11716	4.3
185.13181	3.6
186.10419	12.2
187.11209	53.4
189.12767	2.8
191.07089	17.1
191.14337	15.2
191.16254	3.1
196.08905	2.7
201.12758	44.7
203.14340	8.3
204.10419	2.6
205.10489	3.7
205.12256	31.3
209.15359	4.8
211.11180	3.2
213.03896	4.6
219.13824	28.8
229.12263	61.3
230.12408	2.6
247.13332	100.0
276.01205	2.5
277.01672	3.8
315.38980	2.1
410.42719	1.9
421.18439	4.4
439.19312	2.5
439.24307	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	438.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05069	1.8
55.05510	2.8
57.07083	100.0
59.04999	9.9
69.07076	3.8
71.08640	72.0
71.52668	2.6
85.10190	58.8
87.04474	6.6
89.06039	45.7
97.10176	3.8
99.11732	11.5
103.03948	19.9
103.07605	3.6
111.11721	1.8
112.84589	1.6
113.13267	5.8
133.08617	26.1
147.06577	2.1
151.09685	2.7
155.17953	8.4
163.09680	6.7
177.11250	6.1
191.09166	6.6
209.10291	10.0
213.22142	9.2
239.14915	31.1
271.26373	2.1
421.35419	31.5
438.34622	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	439.1213
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
66.92033	0.7
71.50712	1.1
74.83372	0.6
80.56721	0.7
89.55470	0.8
100.07632	1.1
112.89615	2.0
120.96210	0.6
129.61925	0.6
133.03453	0.7
143.01860	1.2
146.08188	1.4
184.90639	0.8
195.27994	0.6
213.84842	0.8
283.16409	0.8
295.08670	0.7
319.09048	1.0
379.11182	1.1
397.11798	1.6
423.39767	0.8
439.12326	100.0
440.12589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05069	1.8
55.05510	2.8
57.07083	100.0
59.04999	9.9
69.07076	3.8
71.08640	72.0
71.52668	2.6
85.10190	58.8
87.04474	6.6
89.06039	45.7
97.10176	3.8
99.11732	11.5
103.03948	19.9
103.07605	3.6
111.11721	1.8
112.84589	1.6
113.13267	5.8
133.08617	26.1
147.06577	2.1
151.09685	2.7
155.17953	8.4
163.09680	6.7
177.11250	6.1
191.09166	6.6
209.10291	10.0
213.22142	9.2
239.14915	31.1
271.26373	2.1
421.35419	31.5
438.34622	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.7
59.05350	1.6
62.78561	1.6
69.03443	27.4
69.03812	2.3
70.06606	2.1
71.06067	2.1
71.06409	3.4
85.02923	14.2
86.89218	1.7
87.04492	17.2
97.02907	21.0
101.69451	1.5
115.03944	28.7
127.03942	100.0
133.05000	32.5
145.04984	2.6
147.04477	2.9
188.31938	1.7
196.01126	1.5
223.05905	2.4
244.63231	1.8
262.14548	1.6
274.97369	1.8
276.00995	1.7
306.48041	1.6
338.65103	1.8
351.67844	2.2
360.95111	1.8
416.15524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23896	1.9
53.03942	2.4
55.01886	9.9
55.05508	3.3
57.03441	15.4
57.07078	1.5
59.05008	3.1
61.02931	12.9
65.03943	4.5
67.05509	92.2
69.03085	2.6
69.03432	34.3
69.07057	2.3
70.95657	3.6
71.01343	1.9
71.04983	2.3
73.02922	78.3
79.05494	6.2
81.03416	5.8
81.07065	12.8
83.05007	2.7
85.02911	82.3
87.04468	5.3
91.03986	3.2
91.05499	3.1
93.07051	5.4
95.08597	3.2
97.02898	57.9
99.04456	3.6
103.03915	3.3
107.08601	6.9
109.02899	7.0
109.10162	100.0
111.04461	2.9
114.10322	1.8
115.03932	31.4
117.07049	1.7
118.07906	1.7
121.10136	2.8
123.04415	1.7
127.03933	28.5
132.06467	1.7
133.04991	27.7
133.10167	2.6
145.04968	34.6
149.09619	4.6
150.07664	4.6
151.03915	10.7
152.07077	4.7
163.06033	20.0
193.04993	2.3
217.07001	2.6
223.06023	6.8
241.07062	8.4
241.14339	3.2
259.08203	12.4
276.12341	19.4
295.10358	3.0
323.32965	1.6
392.97342	1.5
438.24524	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	54.2
57.07082	24.8
67.05515	33.9
69.07071	91.0
69.52230	20.9
69.74210	2.8
71.08632	11.7
79.05493	14.6
81.07064	82.0
83.08619	60.4
85.10188	6.8
86.07256	3.2
91.05499	8.8
93.07067	18.9
95.08608	57.3
95.09181	4.9
97.06538	5.0
97.10169	33.2
98.21477	4.3
105.07042	21.7
107.08597	20.9
109.10167	41.2
111.11726	20.6
117.07009	6.8
119.08588	17.2
121.10152	15.8
123.11739	20.9
125.13316	5.1
128.06223	4.1
129.07027	10.2
131.08607	23.0
133.10114	17.5
135.11700	9.5
137.13281	15.8
139.14807	3.2
141.06992	6.8
141.41762	2.8
142.07802	8.5
143.08577	35.6
145.10146	28.1
147.11691	11.7
151.14842	5.5
154.07802	3.6
155.08560	29.3
156.09393	8.0
156.70959	3.0
157.10135	56.1
159.11703	35.1
161.09660	3.3
161.13292	5.5
163.14818	4.1
165.16417	7.4
167.08620	8.5
168.09407	6.0
169.10130	31.0
170.10896	6.3
171.11703	29.9
173.13281	13.2
175.11215	5.1
175.14836	5.1
179.08519	4.1
181.10143	13.5
182.10918	6.2
183.11713	32.8
184.12459	5.1
185.13251	33.4
187.14801	5.4
195.11713	14.7
196.12537	10.2
197.13280	47.2
198.14070	4.0
199.14792	38.2
201.16553	5.6
205.19525	3.4
209.13284	23.6
210.14029	5.5
211.14819	56.6
213.16399	32.1
215.14397	5.1
217.15933	6.7
223.14844	18.6
224.15605	3.9
225.16368	38.0
227.14308	3.8
227.17899	5.4
229.15938	7.1
229.68010	3.3
231.17444	8.7
236.15475	3.6
237.16400	14.9
239.17879	21.6
241.19580	4.1
243.17424	7.2
251.17920	25.8
253.19492	28.1
265.19656	20.3
267.21078	8.2
269.18961	5.9
271.20593	10.9
279.21033	17.4
281.22607	7.4
293.22705	16.1
295.24332	7.9
297.22253	19.4
299.23669	7.7
307.24188	54.0
307.27420	3.8
311.23758	9.6
321.99316	3.9
325.25266	27.8
380.93448	3.1
419.31570	4.1
419.36765	56.2
437.37863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3628
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
55.05512	25.9
57.07079	29.5
67.05495	9.2
69.07069	49.4
71.08635	25.6
71.52697	3.7
77.90942	3.3
79.05501	8.2
79.86668	3.6
81.07057	18.3
83.04993	10.0
83.08616	30.8
85.10180	14.0
91.05495	4.2
93.07001	8.0
94.23260	3.7
95.08614	17.5
95.97649	4.2
97.06499	5.5
97.10169	25.8
99.04459	21.5
105.07033	7.6
107.08613	12.3
109.06535	4.4
109.10145	17.1
111.04435	12.7
111.11713	17.4
119.08588	4.3
121.10112	6.9
123.08050	6.0
123.11741	6.3
125.13245	7.5
129.05482	4.8
133.10074	3.9
135.11674	6.8
137.13345	4.3
141.05496	12.6
145.24002	3.9
151.07510	9.0
153.05453	14.6
154.77954	3.4
161.13304	3.8
171.06563	6.9
175.82204	3.9
193.12279	4.6
196.99928	3.7
216.71632	3.8
237.84293	3.9
319.41248	3.7
329.28357	14.2
347.29453	100.0
401.34286	6.0
419.35168	57.5
433.45483	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05516	55.6
57.07083	24.6
67.05177	2.8
67.05511	33.5
69.07075	100.0
69.81415	7.8
71.08633	15.0
72.79070	1.4
79.05507	20.9
80.31669	1.5
81.07063	81.6
83.04971	2.6
83.08624	55.8
85.06544	1.8
85.10177	6.1
89.06017	2.2
91.05495	15.9
93.07054	21.8
95.08615	61.8
97.06538	4.1
97.10183	30.7
99.08106	1.7
105.06396	2.2
105.07045	23.4
107.08595	20.5
109.06564	1.7
109.10170	40.2
111.11732	19.8
115.05457	3.3
117.07030	8.1
119.08598	19.4
119.09937	1.7
121.06537	2.1
121.10139	15.2
123.08068	3.1
123.11720	21.9
125.13295	5.3
128.06239	4.4
129.07021	15.4
130.90060	1.4
131.08580	25.2
133.08617	1.8
133.10133	17.4
135.11726	13.6
137.05963	2.6
137.13281	14.1
139.14842	4.1
141.07004	9.4
142.07788	12.5
143.08569	36.1
144.09396	2.9
145.10139	31.9
147.11737	12.2
147.28268	1.4
149.09593	1.7
149.13235	5.0
151.14812	5.1
153.07083	2.6
154.07787	2.6
155.08566	28.5
156.09380	8.2
157.10144	52.3
158.10695	1.9
159.11702	33.2
161.13281	5.3
163.11229	1.5
163.14865	3.8
165.07115	1.7
165.16396	6.1
167.08589	6.4
168.09392	6.5
169.10139	37.7
170.10925	5.0
171.11693	27.2
173.13281	18.0
175.11198	4.4
175.14825	5.3
177.12801	3.0
177.16418	1.8
180.09369	2.9
181.10156	11.5
182.10916	9.9
183.11717	44.1
184.12408	6.2
185.13271	33.7
187.14850	11.2
193.10155	2.4
194.10921	3.5
195.11711	20.7
196.12497	6.9
197.13275	41.2
198.13954	3.1
199.14838	40.5
201.12688	3.1
201.16408	4.8
208.12497	2.0
209.13258	19.1
210.14076	3.6
211.14856	55.4
212.15450	1.6
213.13057	1.8
213.16405	27.6
215.14304	4.6
215.17920	2.6
217.15874	5.4
221.13437	1.9
223.14807	18.5
224.15599	2.9
225.16393	31.6
227.14423	2.5
227.18053	7.4
229.15909	7.8
229.19524	2.4
231.17435	6.6
235.14789	3.3
236.15627	3.9
237.16446	13.8
239.15236	2.3
239.17923	19.1
241.15884	4.1
241.19611	3.0
243.17407	5.2
251.17986	25.6
252.18723	4.3
253.19540	28.7
255.17371	2.4
257.18958	8.4
264.18771	2.2
265.19519	13.9
267.21082	7.9
269.18976	5.9
271.20624	10.8
279.21094	13.0
281.22543	9.7
283.20398	2.1
293.22650	13.9
295.24240	6.8
297.22104	6.3
299.23755	3.3
307.24216	38.0
311.23584	10.0
313.25388	2.7
325.25333	22.1
339.30502	2.7
377.32095	3.2
405.63022	1.6
419.36926	42.2
437.19412	3.1
437.33820	49.3
437.38071	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2003
Annotation	Ambiguine E isonitrile
Peak:m/z	Relative Intensity
55.01866	0.6
55.05508	0.6
57.03426	1.0
60.80371	0.3
61.02927	0.4
67.05510	0.7
68.99107	0.3
69.03446	1.6
69.85192	1.8
70.06594	1.3
70.72516	0.3
73.02921	1.5
79.05494	0.4
81.03428	0.6
81.07069	0.7
82.06581	1.9
83.05004	0.5
85.02906	2.0
87.04491	0.5
91.05485	0.6
93.07074	0.4
95.04978	0.5
95.08598	0.4
96.27781	0.3
97.02898	1.5
97.06509	0.4
99.04456	0.4
100.07619	2.0
101.07983	0.7
101.63432	0.3
107.04971	1.4
107.08609	0.4
108.05270	0.5
109.06540	0.7
115.03936	0.8
119.08570	0.5
121.02864	0.3
121.10207	0.5
123.04390	0.4
123.08084	2.8
124.00810	0.3
124.07632	2.2
125.07908	1.7
125.09629	0.6
126.05515	1.5
127.03905	0.8
128.07092	0.6
133.04991	0.8
137.05991	0.5
145.04955	0.7
146.08144	4.8
147.04451	0.5
147.08473	1.8
151.03865	0.5
159.04466	0.4
165.09120	3.1
167.07045	0.4
167.79150	0.4
179.11819	0.4
189.05376	0.3
204.07858	0.6
205.08519	0.7
206.08829	0.4
213.06628	0.5
217.12332	0.3
253.37610	0.3
275.14661	12.8
292.12659	0.7
437.19986	100.0
438.20395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03947	5.0
55.01862	2.4
55.05520	15.8
56.54179	2.0
57.03450	2.7
57.07080	4.8
65.03935	3.8
66.92025	2.2
67.05511	27.7
69.03432	5.9
69.07076	20.1
69.83617	1.8
71.04990	2.3
71.16209	4.4
79.05493	25.4
81.03424	4.6
81.07066	51.0
83.04969	2.6
83.08612	13.1
85.02901	7.6
91.05489	38.6
93.07057	53.8
95.04974	4.4
95.08620	86.6
96.30913	2.2
97.02922	2.6
97.06545	6.5
97.10186	4.7
103.05475	2.3
105.07043	74.2
107.04967	3.0
107.08610	54.8
109.02924	3.3
109.06527	4.6
109.10167	51.8
111.04478	2.0
111.08090	4.6
117.07014	18.6
119.04964	5.8
119.08595	69.3
121.02898	6.3
121.06529	5.8
121.10161	49.8
123.08127	4.2
123.11717	14.7
125.06010	3.5
128.06233	4.9
129.07004	8.4
130.07771	3.0
131.08585	43.5
132.08896	2.1
133.06474	5.2
133.10150	36.0
135.08058	4.1
135.11707	32.9
137.13304	11.4
141.07004	4.0
142.07780	7.9
143.08563	21.2
144.09357	4.1
145.10144	73.4
147.04427	5.2
147.08028	11.5
147.11696	30.3
149.09639	3.5
149.13268	17.1
152.07114	7.2
155.08536	12.6
156.09314	5.6
157.10156	22.1
158.10884	3.5
159.08081	4.8
159.11697	41.2
161.09654	2.4
161.13280	23.7
163.11177	4.6
163.14804	9.1
167.07094	5.7
167.08560	3.1
168.09390	3.0
169.10168	21.5
171.11690	17.6
173.09688	10.2
173.13275	26.5
175.03899	4.2
175.11206	5.7
175.14867	11.5
177.16403	6.9
181.04994	3.5
181.10141	5.2
182.10962	5.1
183.11716	13.0
185.13219	15.1
187.11266	11.5
187.14803	18.4
189.12756	4.9
189.16356	21.1
191.10724	4.9
191.17970	67.6
191.19623	4.6
193.12337	8.4
194.52403	2.2
197.13280	9.8
199.14856	10.7
201.16444	23.2
203.14410	7.2
203.17979	23.3
205.12302	2.9
205.19550	4.4
207.06587	12.2
207.13811	3.4
211.09628	2.4
211.14798	15.4
213.12807	2.6
213.16411	6.0
215.14301	7.1
215.17989	7.2
217.16026	4.4
217.19591	5.9
219.13853	14.7
219.17429	4.5
225.16539	3.3
227.18062	3.8
229.15941	20.4
229.19591	6.0
230.11774	2.5
231.21178	4.2
233.15411	5.5
239.18066	2.2
241.19585	5.5
243.21114	7.1
245.15474	3.9
245.22743	3.0
247.16956	24.4
249.16385	2.4
269.22595	3.0
275.14032	3.6
278.10162	3.8
287.20135	3.7
299.20181	4.5
302.04077	2.7
401.31479	2.7
419.33054	17.9
437.21286	9.0
437.34219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01879	1.6
55.05514	3.9
64.23185	0.4
65.03962	1.0
67.05511	4.2
69.03432	4.4
69.07073	1.3
69.66862	2.5
72.08171	0.9
73.02934	0.6
79.05505	6.9
81.03405	0.6
81.07067	17.3
82.06593	0.9
83.04988	3.6
85.02930	2.0
86.09713	0.6
87.04471	0.5
91.05473	3.9
91.98038	0.5
93.03411	1.1
93.07046	3.4
95.04974	5.0
95.08627	7.7
97.02908	1.9
97.06554	0.8
98.20769	0.9
98.97626	0.6
99.04481	0.8
100.07652	1.7
103.05464	0.7
105.07031	3.8
107.04961	3.1
107.08578	1.2
109.02874	0.9
109.06523	17.5
109.10126	0.6
109.13322	0.4
109.15373	0.5
111.04449	5.7
115.03968	0.5
117.07048	1.3
119.06116	0.6
119.08584	4.0
120.08076	0.5
121.02885	0.6
121.06506	6.2
121.10162	0.8
123.08080	82.7
124.08459	0.7
127.07579	2.3
128.06244	0.8
129.05498	1.1
129.07019	0.9
131.08582	2.3
133.06503	1.3
133.10159	1.5
135.04443	5.5
135.08086	2.0
136.79062	0.5
137.06001	12.0
139.03911	1.2
141.06990	1.2
142.07779	1.5
143.08546	2.2
145.06532	1.8
145.10172	1.1
146.08150	5.1
147.08081	3.5
147.11684	1.4
149.05984	2.4
151.07570	1.7
156.09325	1.6
157.05017	1.0
157.06505	0.5
157.10121	3.0
157.88953	0.4
158.07240	1.0
159.08075	6.2
159.11742	1.1
160.08795	0.9
161.05994	1.5
161.09630	2.6
163.07523	0.9
165.09129	100.0
166.07678	0.8
166.09439	0.8
167.07074	1.5
170.07320	0.6
171.08073	0.6
171.11674	1.7
173.09651	1.3
173.13237	0.6
175.06122	0.8
175.07597	1.6
175.11180	3.9
181.10193	0.7
184.08871	1.0
185.09631	2.2
187.07552	2.2
187.11195	0.9
188.08366	0.5
189.05630	0.5
189.12709	1.0
199.11163	4.9
203.10649	4.5
205.08591	2.7
206.08983	0.9
209.09697	1.0
212.08304	1.0
215.10710	1.5
217.12274	9.2
221.11690	0.5
227.10654	2.5
233.11688	0.6
242.08038	0.6
245.11769	23.4
263.12787	4.4
278.10046	0.7
292.12766	0.7
296.11322	0.6
343.39014	0.5
418.84683	0.5
419.17447	1.2
437.18481	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	6.1
58.06584	1.4
63.93572	0.4
67.05502	0.4
67.81351	0.4
69.88838	1.9
70.06207	0.7
70.06597	12.4
71.08627	1.9
72.08134	0.5
74.50634	0.4
84.08135	0.5
85.10175	0.6
88.07638	18.7
91.05514	0.4
96.78741	0.4
98.20672	0.6
102.09193	11.7
103.01818	2.0
111.04441	0.5
131.60106	0.4
134.32689	0.3
135.04428	3.7
139.35638	0.4
147.04422	0.6
153.05421	1.2
163.03911	67.3
163.05023	3.7
164.04251	0.4
179.32503	0.4
207.06544	72.5
208.06932	0.4
210.18716	0.6
212.23721	0.7
256.26370	45.6
257.26712	0.6
436.30618	100.0
437.31082	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
57.03425	2.7
57.07080	84.7
59.05008	47.2
69.07037	2.7
69.26228	13.3
69.26653	8.2
71.08242	4.9
71.08633	100.0
81.07040	2.9
83.08630	4.6
85.10185	91.0
87.04480	31.5
99.11698	8.3
117.09161	14.6
121.10098	2.5
126.69217	2.2
141.16365	9.3
190.42456	2.3
199.20551	16.4
240.23041	2.9
257.24826	23.3
321.63232	2.5
336.36462	2.6
391.34006	4.0
418.34839	2.8
431.82968	2.7
437.34015	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	437.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01875	1.1
55.05515	3.1
65.03936	1.4
67.05507	3.5
67.57599	0.4
69.03435	3.5
70.06588	0.5
73.26283	0.4
79.05504	7.6
81.07066	18.9
81.51280	0.5
83.04993	2.4
83.08704	0.5
85.02908	1.8
86.09730	0.4
91.05487	3.8
93.07037	2.5
95.04964	4.6
95.08617	4.7
97.02902	1.1
97.06533	1.0
99.04440	0.6
100.23968	0.5
105.07043	3.3
107.04977	3.1
107.08634	1.3
109.02865	0.9
109.06531	19.9
109.89945	0.5
111.04459	3.5
112.52328	0.5
115.03973	0.7
117.07020	0.8
119.08603	3.4
121.02880	0.5
121.06523	6.2
123.04482	1.0
123.08077	50.9
125.72721	0.6
127.07555	3.3
129.07014	1.0
131.08597	2.0
133.06499	1.4
133.10173	1.3
135.04437	6.3
135.08052	1.1
135.11688	0.7
137.05984	11.6
139.03911	0.9
141.06995	0.7
141.75114	0.5
142.07776	1.2
143.08592	1.7
143.10591	0.5
145.06532	1.3
145.10144	0.9
147.04427	0.6
147.06822	0.7
147.08051	2.3
147.11723	1.7
149.06009	2.1
151.07574	1.4
156.09346	1.5
157.10162	2.3
159.08072	6.0
159.11661	1.1
160.08868	0.7
161.06006	1.4
161.09654	2.0
165.09129	59.7
166.07799	1.0
166.09456	1.0
168.49939	0.5
171.07994	0.6
171.11699	1.8
173.09654	1.2
173.13254	0.7
175.07581	1.1
175.11198	3.9
177.05556	0.5
181.10152	0.9
185.09622	1.6
187.07634	1.2
188.08325	0.6
189.12793	1.1
192.33484	0.4
199.11205	4.8
203.10643	3.2
205.08636	1.3
209.09586	1.0
212.08069	0.5
215.10661	1.0
217.12267	10.0
217.14337	0.9
227.10692	2.7
240.64926	0.5
245.11758	21.4
263.12799	3.4
398.21097	0.5
419.17197	0.6
437.23636	100.0
438.24026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67387	0.7
53.03951	1.0
55.05502	1.6
57.34303	0.8
59.05019	1.0
67.05505	1.1
67.13516	0.7
69.03441	2.5
69.07080	1.6
70.61845	1.7
71.05001	11.1
72.94033	0.7
73.06556	3.5
79.05499	3.4
81.03402	1.9
81.07063	15.9
85.02912	4.2
87.00838	3.1
91.05515	1.0
93.07059	9.7
95.08606	3.2
97.06552	1.1
102.07281	0.7
105.01880	3.2
107.08607	9.3
109.02896	1.1
109.10181	2.1
127.03917	3.4
135.11702	20.0
136.05408	0.7
145.04999	1.4
153.12761	100.0
154.13080	1.0
159.03015	0.9
182.05313	1.4
231.05032	1.0
266.67770	0.8
427.91217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02724	0.3
53.03941	0.8
55.01870	1.0
55.05494	0.5
57.03445	0.4
57.07079	0.7
58.36323	0.3
59.84929	0.3
65.03929	0.4
67.05508	0.9
69.03443	1.7
69.07069	0.8
70.06590	1.3
71.04980	0.7
71.50753	0.4
73.02913	0.6
78.84979	0.3
79.05518	2.5
81.03423	0.9
81.07044	1.5
83.04978	0.6
84.04497	0.7
84.08147	0.4
85.02915	4.7
87.00824	1.4
91.05484	4.4
93.07050	10.4
93.07642	0.6
95.04961	0.8
95.08604	1.6
97.02378	0.3
97.02892	1.8
97.06548	0.3
99.04459	1.1
99.08144	0.3
105.01888	2.2
105.04522	0.4
105.07038	2.7
107.08606	23.2
108.08907	0.4
108.16267	0.3
109.02881	1.4
109.06535	1.1
109.10148	0.7
111.04457	0.4
119.06087	0.4
119.08583	2.3
121.06501	0.3
123.08080	1.7
124.07623	0.3
125.09648	0.4
126.05515	0.9
127.03929	3.1
135.11703	100.0
136.12041	0.9
137.13263	0.6
139.03914	0.4
145.04971	1.3
146.08192	0.3
147.04510	0.4
149.05966	0.5
153.09155	0.4
153.12729	1.1
159.02910	0.7
165.09071	1.7
170.42970	0.3
171.10188	0.8
175.11169	0.4
203.17929	0.3
205.08638	0.4
220.14546	0.4
231.05084	0.7
242.10254	1.4
245.11804	0.5
249.06093	0.4
356.73566	0.3
374.38599	0.3
411.19165	0.4
436.16492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02724	0.3
53.03941	0.8
55.01870	1.0
55.05494	0.5
57.03445	0.4
57.07079	0.7
58.36323	0.3
59.84929	0.3
65.03929	0.4
67.05508	0.9
69.03443	1.7
69.07069	0.8
70.06590	1.3
71.04980	0.7
71.50753	0.4
73.02913	0.6
78.84979	0.3
79.05518	2.5
81.03423	0.9
81.07044	1.5
83.04978	0.6
84.04497	0.7
84.08147	0.4
85.02915	4.7
87.00824	1.4
91.05484	4.4
93.07050	10.4
93.07642	0.6
95.04961	0.8
95.08604	1.6
97.02378	0.3
97.02892	1.8
97.06548	0.3
99.04459	1.1
99.08144	0.3
105.01888	2.2
105.04522	0.4
105.07038	2.7
107.08606	23.2
108.08907	0.4
108.16267	0.3
109.02881	1.4
109.06535	1.1
109.10148	0.7
111.04457	0.4
119.06087	0.4
119.08583	2.3
121.06501	0.3
123.08080	1.7
124.07623	0.3
125.09648	0.4
126.05515	0.9
127.03929	3.1
135.11703	100.0
136.12041	0.9
137.13263	0.6
139.03914	0.4
145.04971	1.3
146.08192	0.3
147.04510	0.4
149.05966	0.5
153.09155	0.4
153.12729	1.1
159.02910	0.7
165.09071	1.7
170.42970	0.3
171.10188	0.8
175.11169	0.4
203.17929	0.3
205.08638	0.4
220.14546	0.4
231.05084	0.7
242.10254	1.4
245.11804	0.5
249.06093	0.4
356.73566	0.3
374.38599	0.3
411.19165	0.4
436.16492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01884	2.3
55.05516	8.0
57.03428	4.6
65.03928	2.2
67.05508	22.5
69.03436	13.8
69.07065	13.1
71.04990	5.7
78.19456	1.7
79.05515	10.5
81.03426	36.1
81.06593	3.5
81.07062	64.8
83.04990	6.8
83.08620	5.0
85.02905	10.1
85.06534	3.8
87.88300	1.8
91.05481	20.6
93.07054	10.5
95.04986	3.4
95.08614	15.1
97.02895	12.5
97.06544	8.6
99.04478	4.3
99.08092	3.8
105.07039	28.5
107.08621	15.9
109.02896	20.7
109.06526	7.3
109.10163	5.4
119.08590	24.0
120.88995	1.8
121.10165	19.4
123.08076	4.2
123.11708	25.2
127.03930	32.1
127.07610	2.3
129.06969	2.5
131.08537	2.2
133.10150	4.8
137.13269	3.1
141.09132	2.7
145.04953	4.3
146.21930	2.1
147.11700	100.0
157.10138	3.8
159.86816	1.8
165.12759	67.5
175.11192	7.4
183.13817	3.9
187.14867	2.5
190.04929	2.1
193.12259	20.9
197.15393	30.6
209.13368	1.9
211.13284	4.2
225.14922	7.3
229.14389	24.1
243.15959	82.6
283.15649	2.5
319.15216	4.7
335.86707	2.0
337.16495	11.5
350.99078	2.2
351.18176	4.7
355.17493	10.8
369.19092	55.1
387.20129	9.0
391.50681	2.0
436.11206	4.4
436.32773	2.2
437.25345	4.7
445.21240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.2
55.01883	11.2
57.03441	7.2
61.02927	8.4
65.03943	3.1
68.99806	5.1
69.03443	35.7
69.95864	3.8
69.96258	3.2
70.06602	6.6
71.04990	3.9
72.08139	2.5
73.02926	12.8
81.02985	3.5
81.03432	30.2
82.06591	2.3
83.01340	1.9
83.04993	4.0
85.02920	100.0
87.00840	33.5
87.04494	2.2
91.03983	1.9
95.04977	1.8
96.08157	2.2
97.02907	40.7
98.06081	2.2
98.21429	2.1
99.04488	14.9
100.07613	4.2
103.03956	3.4
103.05492	2.2
105.01900	26.6
107.04971	14.0
108.04529	9.4
108.05189	2.2
109.02904	34.9
111.04470	14.0
115.03951	4.6
116.07128	7.6
117.01864	4.2
119.04941	2.2
121.02895	3.9
123.04448	2.3
124.03932	2.3
124.07627	2.2
126.05573	3.9
127.03938	66.0
129.01872	7.8
137.06044	2.1
139.03922	49.4
141.05502	7.1
142.05875	3.5
142.44894	1.8
145.05000	27.2
146.08118	13.0
147.02928	4.1
151.07571	4.8
153.05482	2.6
159.02922	18.4
163.03893	15.1
163.26884	1.8
165.05531	2.4
166.05858	2.8
169.05002	2.0
171.06554	66.4
177.03981	2.5
177.05412	4.0
181.04991	5.2
183.06584	4.9
184.06897	2.1
189.03976	6.9
195.06563	33.4
202.45328	1.8
207.06599	3.0
213.03851	3.6
213.07626	18.3
230.06644	2.1
231.05019	11.7
237.07672	18.0
248.07710	4.7
261.07574	11.8
279.08688	21.7
291.12125	2.2
301.46930	2.1
380.51328	1.9
383.09784	3.1
436.16016	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01866	10.9
55.05493	8.0
57.03431	9.8
57.95114	2.2
61.02929	5.8
67.05505	7.4
69.03433	37.7
69.07065	5.1
70.06594	2.9
70.75874	3.1
70.76184	3.9
71.05000	13.0
73.02910	7.4
77.44482	2.8
79.05494	9.7
81.03426	28.6
81.06596	4.1
81.07064	74.8
83.08626	18.4
85.02911	100.0
85.06541	7.1
87.00831	47.9
87.04485	3.6
91.03969	3.2
91.05490	10.7
93.07043	33.7
95.04968	3.6
95.08623	37.3
97.02901	61.8
97.06523	5.7
99.04459	19.6
99.08128	2.6
101.34534	2.5
105.01875	97.5
105.07037	6.0
107.04959	3.7
107.08604	27.5
109.02888	30.4
109.10157	13.9
115.03939	7.6
117.01814	3.1
119.08601	4.2
120.08140	2.5
121.10193	2.8
123.11702	2.8
127.03931	88.7
133.10089	3.5
135.08141	2.3
135.11713	44.9
136.07492	2.6
137.13246	26.0
145.04962	54.7
151.11127	2.5
153.12759	31.3
159.02951	12.4
163.11201	3.2
164.55998	2.5
173.04463	7.0
202.60985	2.8
213.03947	5.8
231.05026	42.8
239.16487	3.4
249.06082	23.9
260.19955	2.5
284.09708	4.0
418.15948	2.8
437.07104	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3625
Annotation	hentriaconta-3,6,9,12,19,22,25,28-octaene-16-one
Peak:m/z	Relative Intensity
53.03952	4.3
55.05516	42.4
57.07088	22.4
67.05515	20.1
69.06734	4.6
69.07075	59.8
70.64402	9.2
71.08646	16.1
72.25191	2.9
79.05479	11.3
81.07066	63.9
83.04985	3.3
83.08630	39.7
85.10170	5.8
89.06035	6.6
90.28011	3.0
91.05473	8.9
93.07045	16.5
95.04980	3.4
95.08611	39.3
97.10191	18.1
105.07056	15.8
107.08578	12.2
107.11971	2.9
109.10159	27.7
111.11725	12.3
113.00011	16.0
117.07014	4.5
119.08585	11.0
121.10155	9.1
123.11741	17.5
125.06013	4.2
129.07001	3.5
131.08571	11.7
133.10114	10.6
135.11760	4.5
137.13269	16.6
137.64563	3.1
142.07785	9.1
143.08574	6.3
145.10089	10.0
147.11681	6.5
151.03911	14.5
151.07365	3.3
151.43073	3.1
153.05484	7.4
155.08582	19.1
156.09308	3.8
157.10107	32.7
159.11710	9.4
161.13222	4.2
165.06950	5.0
165.16432	9.0
169.02626	23.1
169.04865	4.1
169.10040	15.5
169.13370	4.5
171.11674	10.7
173.13249	7.8
175.11166	11.9
179.08565	6.9
180.09306	4.1
181.10121	13.5
182.10915	8.6
183.11693	13.8
185.13274	10.4
193.10205	6.2
195.11743	22.9
196.12514	5.2
197.13232	18.5
199.14854	5.5
201.12793	7.4
206.10910	5.4
207.11656	9.9
209.13266	27.5
211.14799	12.2
213.12715	3.9
213.16275	3.6
215.14322	12.4
221.13321	24.8
223.14957	21.5
225.12782	3.1
225.16563	5.0
227.14308	9.7
235.14867	17.2
237.16307	5.4
239.14485	8.8
241.15930	6.8
249.16394	17.3
250.17316	8.5
251.18005	21.4
251.39960	3.8
263.17871	4.2
265.19504	4.0
267.17389	10.4
268.18201	4.2
269.19080	13.3
277.19568	7.4
279.21100	8.9
291.21155	6.2
292.05923	4.0
295.20554	20.7
297.22195	4.3
305.22565	11.3
309.21985	7.4
314.69757	3.4
320.76947	4.1
323.23599	6.4
417.35199	100.0
435.36255	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05317	1.1
55.05511	13.3
57.07079	13.7
60.57454	1.2
67.05509	42.9
69.07073	25.3
69.80753	2.5
69.81174	6.4
71.08636	18.4
79.05494	7.8
81.07063	63.3
83.08631	11.4
85.10193	8.3
91.05486	3.9
93.07068	8.4
94.80930	1.2
95.08611	79.9
97.10179	3.4
98.20765	2.5
105.07021	5.8
107.08618	12.2
109.10166	95.1
111.11697	1.3
117.06991	1.6
119.08575	3.2
119.18002	1.3
121.10146	4.1
123.11713	65.1
129.07019	1.8
131.08591	3.3
135.11676	4.9
137.13257	27.2
143.08559	4.9
145.10144	3.2
147.11688	3.0
149.13271	3.7
151.14830	2.3
155.08606	6.6
156.09274	1.5
157.10158	8.3
159.11688	3.4
163.14772	3.2
165.16400	100.0
169.10139	9.5
170.10966	1.5
171.11682	3.7
173.09615	1.5
175.11205	2.3
182.10971	1.8
183.11749	7.4
185.13228	5.2
187.14767	2.6
195.11714	3.4
197.13268	6.0
199.14893	6.4
207.11694	1.8
209.13246	4.1
211.14882	7.1
213.16324	4.4
215.14418	1.7
223.14821	1.5
225.16449	3.2
227.14482	1.7
229.15884	2.8
235.14888	3.9
237.16376	3.2
239.18034	1.8
248.86749	1.5
249.16359	5.2
251.17958	4.7
253.19540	2.7
263.17960	1.6
269.18948	4.0
279.21042	3.2
281.22629	4.6
291.21027	6.5
293.22559	2.0
299.23688	2.2
305.22638	4.3
309.22110	4.1
311.23752	1.7
323.23636	9.6
417.35379	6.9
435.36243	25.5
438.64554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3623
Annotation	hentriaconta-3,6,9,12,19,22,25,28-octaene-16-one
Peak:m/z	Relative Intensity
50.89593	3.2
53.03947	6.3
55.05516	53.5
57.07087	26.4
59.07626	3.4
66.39077	3.1
67.05502	28.2
69.07079	81.0
71.08656	18.5
71.19208	2.9
71.52571	5.3
79.05490	13.5
81.07066	57.2
83.08630	53.7
85.10194	4.5
89.06045	8.2
90.20000	3.8
91.05482	24.7
93.07046	30.2
95.04989	4.9
95.08617	58.5
97.10180	36.8
105.07043	43.7
107.08622	24.1
109.06529	4.8
109.10177	36.4
111.11742	16.5
112.99984	6.4
115.05412	4.6
117.07019	6.4
118.13826	3.7
119.08608	23.3
121.06445	3.9
121.10185	18.4
123.08040	4.8
123.11746	23.3
124.37406	3.4
125.13233	5.3
129.06996	16.5
131.08588	36.8
131.64084	3.4
133.10138	10.4
135.08011	6.6
135.11699	14.3
137.13237	16.9
139.07573	4.5
141.07002	5.9
142.07762	28.9
143.08586	9.8
145.10141	11.6
147.08060	4.3
147.11713	6.2
149.09654	7.4
151.14851	6.8
155.08572	100.0
157.10141	98.2
159.11690	14.2
161.09451	3.5
161.13235	6.4
163.11212	4.4
165.16454	9.9
167.08514	5.9
168.09393	5.9
169.02617	12.8
169.10147	21.1
171.11687	23.1
173.13313	5.5
175.11192	11.2
179.08566	9.9
180.09340	6.3
181.10135	15.3
182.10921	6.0
183.11734	28.1
185.13281	7.6
187.11156	6.3
193.10156	10.1
194.10945	11.6
195.11731	34.8
196.12450	6.0
197.13329	28.0
197.16438	4.8
201.12755	11.3
201.16458	3.9
206.10936	4.9
207.11743	16.5
207.13531	3.6
208.12572	6.0
209.13326	31.4
211.14824	12.9
212.50732	3.5
213.12730	9.3
213.16281	4.4
215.14330	16.1
219.11676	3.8
220.12608	3.3
221.13264	29.8
223.14816	29.4
227.14294	21.4
235.14825	16.0
237.16373	10.5
239.14400	8.4
241.15845	5.9
249.16368	38.8
250.17085	14.0
251.17984	30.8
253.19554	4.6
261.16513	6.1
263.17896	11.7
267.17538	6.8
269.19055	4.7
275.18042	3.8
276.18607	5.1
277.19498	12.5
279.21045	12.0
291.21133	18.7
293.22684	5.6
295.20657	21.1
297.22061	7.2
305.22598	20.6
309.22171	10.9
323.23895	4.7
380.22528	3.7
417.35184	83.9
435.36374	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48804	2.2
53.03923	3.0
55.05514	44.7
57.07075	24.7
66.41583	2.4
66.57712	2.5
66.91595	2.5
67.05503	22.6
69.07074	72.8
69.37011	19.4
71.08645	14.0
77.43361	2.4
79.05495	16.9
79.05898	2.6
81.07062	100.0
83.05003	3.6
83.08632	40.2
85.10182	9.2
89.06060	3.2
91.05482	13.1
93.07030	14.1
95.04987	4.4
95.08053	4.4
95.08615	38.7
95.84698	2.7
97.06527	4.6
97.10187	26.9
105.07044	20.8
107.08595	13.0
109.06535	4.0
109.10183	23.0
111.11724	14.3
113.00043	11.9
117.07021	5.0
119.08599	14.5
119.95848	2.2
121.10175	9.0
123.11718	15.9
127.03946	4.0
128.06244	2.8
129.06985	6.9
131.08606	13.2
133.08600	2.9
133.10150	12.8
135.11664	3.6
137.13292	9.7
141.06955	2.8
142.07808	9.9
143.08597	14.6
143.86044	2.4
144.19318	2.6
145.10117	19.1
147.08018	3.2
147.11696	7.6
149.13272	2.9
151.07564	4.8
151.14845	4.8
153.05484	3.6
155.08560	20.3
156.09392	3.7
157.10146	36.1
159.11728	13.6
161.09624	2.6
161.13263	6.0
163.14842	4.3
165.07030	4.2
165.16377	4.2
167.08588	4.9
168.09355	3.7
169.02638	17.0
169.04964	4.5
169.10114	12.9
171.11725	9.5
173.09724	5.4
173.13281	5.6
175.11234	8.3
179.08636	7.2
180.09415	4.2
181.10162	9.7
182.10959	3.8
183.11717	19.6
185.13251	12.5
187.11334	2.9
187.14832	6.3
189.16360	3.5
192.09334	4.5
193.10262	4.9
194.11003	5.3
195.11679	17.9
196.12508	5.9
197.13271	27.0
199.14853	9.7
201.12839	6.8
201.16365	2.8
207.11778	8.1
208.12488	5.2
209.13275	26.5
211.14824	12.9
213.12764	6.3
213.16454	8.9
215.14301	24.3
220.12518	3.8
221.13333	9.3
223.14854	17.1
225.16498	6.2
227.14357	13.6
229.15939	2.8
234.14027	3.4
235.14867	23.5
236.15486	4.5
237.16275	4.3
239.14529	4.1
239.17888	4.8
241.15900	6.8
243.17368	2.6
249.16440	19.5
250.17198	12.6
251.17979	23.0
255.17470	2.5
263.18042	5.5
265.19586	4.1
267.17517	16.1
268.18243	7.1
269.19009	24.7
277.19266	5.5
279.21124	8.7
291.21228	6.9
293.22626	3.9
295.20728	18.4
297.22180	4.3
305.22754	10.4
309.22232	10.6
323.23807	6.3
353.28394	3.1
355.29944	4.2
362.17752	2.6
407.37024	2.5
417.35147	78.9
435.36237	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3477
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01853	1.0
55.05505	1.2
57.07064	1.3
58.59258	0.5
66.66301	0.4
67.05503	1.0
69.07066	1.4
69.99800	0.9
70.00208	1.3
71.08646	0.5
81.07040	1.4
81.28204	0.4
83.04975	0.4
83.08609	0.7
83.66782	0.4
85.10164	0.7
91.05488	0.6
92.81996	0.4
93.07063	0.8
95.08608	1.3
97.10162	0.4
98.20703	0.4
99.04479	3.5
107.08606	0.6
109.06496	0.5
109.10147	0.8
109.51854	0.5
111.04484	2.8
121.10159	0.6
123.11734	0.7
125.06013	8.7
133.10152	0.7
135.08075	0.7
141.05472	5.4
145.10141	0.5
147.11650	0.6
153.05482	100.0
154.05792	0.7
155.08601	0.7
157.10139	1.0
159.11726	0.5
167.07022	0.7
169.70200	0.4
237.16631	0.5
249.16394	0.6
417.33716	11.9
423.92651	0.5
435.34781	35.3
436.35156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3623
Annotation	hentriaconta-3,6,9,12,19,22,25,28-octaene-16-one
Peak:m/z	Relative Intensity
53.03938	3.6
55.05518	35.0
55.75340	2.4
56.13054	2.8
56.26320	2.5
57.07083	59.4
59.04757	3.5
59.05011	36.0
67.05514	17.4
68.12105	2.9
69.07075	50.9
69.76274	17.5
69.92697	2.6
69.95846	2.7
71.08643	52.4
72.04510	4.6
73.51693	3.1
79.05490	7.3
81.07065	40.6
83.08630	28.1
85.10189	43.5
89.06029	8.9
91.05473	10.8
93.07050	12.1
95.08616	31.6
97.10172	17.8
99.11746	6.5
103.07594	4.2
105.07047	15.3
107.08627	15.9
109.06480	3.3
109.10181	20.6
111.11714	6.9
112.82360	2.9
117.06963	6.2
117.09117	8.7
119.08627	9.3
121.06567	3.3
121.10139	9.6
123.11689	10.7
126.95194	3.0
129.07016	12.0
131.08588	14.3
133.10139	6.6
135.11726	4.6
137.13292	8.7
141.06909	3.0
141.16365	3.1
142.07794	10.6
143.08551	11.9
145.10132	8.4
147.11699	7.2
153.05484	28.3
153.06700	3.9
155.08574	17.3
156.09329	4.4
157.10156	48.4
159.11710	13.1
165.07011	4.4
165.16476	3.7
167.08575	6.7
168.09245	5.3
169.10204	15.5
171.11710	14.2
173.09644	5.1
173.13281	4.9
175.11235	16.5
179.08548	9.2
180.09293	4.6
181.10141	10.5
182.10912	5.4
183.11725	17.4
185.13245	6.0
193.10167	9.5
194.10959	6.6
195.11700	32.7
197.13301	16.4
199.14835	3.2
201.12682	3.1
205.10124	2.9
206.10814	5.6
207.11713	18.4
208.12444	6.4
209.13284	27.8
211.14778	15.5
215.14317	4.7
219.11725	4.1
221.13275	48.3
221.15201	5.6
223.14861	26.9
225.16464	3.2
227.14357	7.4
229.15938	3.1
234.13992	5.3
235.14818	14.4
237.16379	7.1
239.14436	18.6
247.15063	3.9
249.16447	29.4
250.17096	4.6
251.17984	16.0
253.19589	4.6
257.24701	3.5
261.16354	5.5
262.49200	2.8
263.17926	6.3
265.19571	6.3
267.17462	8.3
269.18869	4.8
276.18668	7.0
277.19534	6.9
279.21161	5.5
281.18811	3.4
291.21002	5.3
295.20596	11.2
297.21918	3.3
305.22681	10.7
309.22076	3.9
323.23605	6.7
328.81387	3.0
362.54892	3.1
377.31772	3.3
417.35181	100.0
435.31168	4.2
435.36407	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	435.3267
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03939	1.4
55.01859	0.8
55.05304	0.6
55.05519	6.3
57.07069	1.8
57.70802	0.6
59.04994	1.0
63.94294	0.6
67.05511	6.7
69.03423	1.2
69.07085	8.6
69.12048	0.6
70.66850	1.3
70.67200	0.8
74.84498	0.6
79.05508	5.3
81.03410	0.9
81.07069	16.3
83.04990	1.0
83.08647	5.3
85.02911	1.2
85.06573	0.7
89.06024	0.7
91.05489	6.4
93.07063	13.7
95.04987	2.0
95.08620	21.4
97.06532	2.3
97.10178	3.2
105.06403	1.0
105.07049	12.0
107.04971	1.2
107.08607	16.0
109.06503	1.6
109.10169	11.3
117.07057	2.9
119.08603	17.3
121.06492	0.7
121.09329	1.1
121.10162	12.9
123.11724	5.1
125.06010	0.9
125.09620	0.7
128.06213	1.1
129.07022	2.2
129.67168	0.7
131.08592	8.6
133.10149	10.7
135.08116	0.9
135.11702	7.8
137.05963	0.8
137.13261	2.0
141.07039	1.2
142.07822	1.0
143.08569	6.0
144.09383	0.7
145.06422	0.7
145.09055	1.2
145.10146	15.8
147.11711	9.3
149.09718	0.6
149.13292	4.2
151.07610	0.6
151.14801	0.9
155.08565	2.3
156.09406	1.5
157.10167	8.7
158.10907	1.3
159.11723	13.7
161.09650	0.8
161.13286	9.4
163.07512	0.8
163.11201	1.3
163.14896	3.3
166.12756	0.8
167.07051	1.7
169.10162	2.9
170.10909	0.6
171.11697	7.6
172.12491	0.9
173.13289	8.3
175.11247	0.9
175.14841	9.0
177.05560	0.7
177.12752	0.6
177.16431	2.0
181.04997	2.1
181.08609	0.7
181.10045	1.4
182.10873	0.8
183.11708	3.8
185.13286	5.0
187.14848	8.6
189.12807	1.7
189.16409	7.4
191.10664	0.6
191.17989	4.4
194.10899	0.9
195.11732	2.1
197.13284	3.4
199.14867	6.3
201.16417	11.2
202.17166	1.0
203.18079	3.3
205.12173	0.8
207.11909	0.6
207.13861	1.8
209.13341	2.1
211.14890	4.4
213.13004	0.7
213.16383	3.4
215.06990	0.7
215.14497	1.1
215.18062	3.3
219.13782	1.0
220.23804	0.7
221.15396	1.4
223.14914	2.2
225.16446	2.7
227.18033	1.7
229.19574	2.1
231.13983	1.0
233.08147	1.1
233.15308	3.4
235.14830	1.1
235.79790	0.6
237.16440	2.3
239.17947	1.2
241.19598	1.3
243.13887	0.7
245.15376	2.8
247.17010	1.5
251.17953	1.5
253.19579	2.1
255.21185	1.4
257.15475	1.9
259.16895	1.4
261.18576	0.7
265.19669	0.8
267.21094	1.8
269.15390	2.6
269.22458	0.6
271.17270	1.3
273.18478	1.9
277.19574	0.7
279.21115	0.8
281.22592	1.1
283.16904	5.9
285.18521	1.8
287.20065	1.2
293.22543	0.7
297.18539	3.9
299.20148	5.2
305.22601	0.9
311.20181	2.3
313.21655	1.1
323.20227	1.4
325.21738	1.8
327.23349	0.8
337.21643	5.0
339.23306	2.2
351.23245	10.4
353.24640	1.2
365.24667	3.0
377.24945	1.1
379.26352	2.0
389.32071	1.9
391.25790	0.6
392.27142	3.5
393.28018	1.3
417.31479	1.9
435.10550	1.6
435.32660	100.0
436.33206	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03625	1.4
53.03933	2.5
53.73880	1.5
55.05516	15.6
57.07081	15.7
59.04974	2.4
63.27786	1.7
67.05516	35.2
69.07076	28.1
71.08640	20.0
79.05502	7.8
81.07069	56.8
83.08636	8.1
83.83476	1.5
85.06566	3.8
85.10180	5.7
89.06034	2.9
91.05480	6.9
93.07048	8.7
95.04980	2.0
95.08620	70.2
97.10193	2.9
105.07040	7.3
107.08617	13.2
109.10167	96.1
111.11733	2.7
117.07016	3.4
119.08574	6.4
121.10162	8.4
123.11719	61.9
129.07057	3.5
129.28693	1.6
131.08601	5.6
133.10173	5.5
135.11751	2.9
137.13272	26.7
141.07010	2.0
142.07758	1.8
143.08575	6.0
145.10149	5.9
153.05473	3.8
155.08522	5.1
157.10129	12.3
159.11722	6.5
161.13190	1.7
163.14844	3.1
165.16414	100.0
169.10115	7.1
171.11667	4.7
173.13297	3.1
181.10196	2.6
183.11685	6.0
185.13318	8.3
194.10724	2.0
195.11736	2.3
197.13307	5.6
199.14847	5.4
207.11803	2.0
209.13258	4.6
211.14842	9.6
213.16396	3.9
217.15848	1.7
219.21141	2.3
223.14819	4.0
225.16331	2.5
235.14896	2.1
237.16353	2.7
239.14754	1.8
239.17999	2.7
249.16344	4.6
251.17905	4.8
253.19632	3.9
269.19083	4.3
279.21017	2.6
281.22672	2.9
291.21210	8.1
293.22623	2.5
305.22568	5.5
309.22180	3.4
311.23718	2.5
323.23694	7.3
343.26111	2.9
373.40326	1.9
417.35211	8.5
435.36499	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	435.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
60.33486	2.8
64.59982	2.8
67.05497	5.8
69.03439	18.8
69.07069	4.7
69.25880	3.3
69.26219	27.9
71.05006	24.4
79.05496	9.3
81.03421	6.8
81.07067	24.3
83.04990	7.5
85.02921	16.0
85.06557	4.1
91.05478	9.8
93.07062	18.0
95.04977	5.8
95.08604	8.4
97.02912	6.9
97.06541	4.9
99.04489	3.7
99.08069	4.3
103.05373	3.3
105.01871	4.5
105.07056	15.4
107.04954	7.5
107.08605	22.7
109.02881	4.1
109.06519	14.4
109.10165	10.1
119.08572	9.2
121.06516	4.2
121.10124	8.2
123.11691	11.2
125.09621	7.9
127.03913	9.8
127.07535	3.6
127.11213	37.0
129.06967	3.4
131.08595	5.1
133.10152	29.1
135.11618	4.5
137.06030	5.6
143.10695	8.9
145.10143	16.2
151.11217	38.6
155.10629	16.7
163.03932	8.6
167.07057	34.2
169.08656	7.3
170.08995	7.1
181.04999	14.0
201.16315	6.4
209.08151	3.7
219.17422	8.2
233.08069	5.9
237.18555	100.0
245.12891	4.3
251.09001	3.2
255.19612	6.6
273.12350	8.7
303.05032	11.4
329.02872	3.2
349.25375	3.1
417.15494	5.5
435.22467	4.3
435.69644	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.1
59.33896	2.5
67.05495	4.7
69.03422	14.4
69.07074	3.6
70.62315	8.2
71.05014	23.6
73.02913	6.1
79.05491	5.7
80.52239	3.0
81.03426	4.4
81.07058	24.7
85.02897	4.8
85.06581	2.7
91.05486	5.8
93.07041	7.3
95.04939	3.7
95.08623	4.4
97.06541	3.0
99.08095	3.5
105.07034	10.6
106.02946	2.7
107.04974	3.3
107.08600	13.9
109.06529	11.0
109.10139	11.5
119.08566	7.8
121.10214	4.5
123.11739	5.2
125.09618	5.9
127.11212	42.5
131.08556	3.4
133.10118	20.8
139.11205	4.9
143.10687	8.2
145.10155	14.8
147.11754	3.4
151.11211	42.9
152.33801	3.2
155.10696	19.6
159.11763	2.8
167.07040	9.8
169.12224	4.0
181.04939	5.5
201.16376	5.9
203.68004	2.8
219.17447	6.0
233.07996	3.4
234.91327	2.8
237.18546	100.0
255.19493	3.3
303.05011	47.6
329.88354	2.8
343.58597	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.5
57.03437	10.0
59.94955	5.4
67.03545	5.6
67.05518	8.1
69.03430	20.3
69.07072	10.9
69.25469	48.9
69.54549	4.7
70.06522	5.6
71.05006	27.6
74.23879	5.0
77.60647	4.6
79.05502	18.1
81.03415	8.7
81.07066	66.3
84.97197	5.2
85.02904	35.4
85.06561	8.5
91.05468	13.9
92.73965	5.1
93.07019	15.0
95.08608	16.0
97.02912	15.3
97.06551	10.7
98.21547	10.9
99.08092	11.0
105.07027	31.5
107.04968	14.1
107.08622	17.9
109.02834	9.1
109.06535	18.2
109.10170	23.6
117.07048	7.1
119.08575	15.8
121.02854	14.9
121.10154	16.1
123.04437	8.5
123.11732	13.5
125.09634	10.3
127.07590	11.6
127.11219	44.4
131.08549	7.8
132.84930	4.9
133.05046	6.3
133.10141	71.5
135.11746	8.5
139.11211	10.4
143.10689	12.4
145.10167	24.3
147.04448	13.0
147.11720	11.7
151.11183	51.8
153.01852	9.3
155.10667	18.1
159.11737	11.0
163.03888	9.5
163.06133	5.6
164.07025	5.6
165.01877	38.7
167.07056	30.3
169.12326	9.5
177.01848	15.7
181.04974	57.7
183.02928	7.5
191.03447	19.4
195.02907	78.7
201.05548	6.5
201.16313	27.7
218.05763	7.4
219.02867	36.7
219.17479	24.8
230.33562	6.0
231.02873	25.4
233.08081	33.5
237.18536	100.0
237.20804	10.4
243.02824	11.8
249.04063	10.1
252.77957	5.5
261.04080	18.7
273.07486	6.8
285.07718	28.6
297.07550	16.4
303.05090	12.1
313.68130	6.0
315.08691	19.4
332.13251	5.5
339.08798	33.3
351.08640	15.8
363.08603	13.3
381.09482	8.2
399.10776	16.9
417.15952	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	435.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01868	1.5
57.03446	3.4
61.02932	4.1
61.06028	0.6
66.03473	1.5
67.11051	0.5
69.03436	7.0
69.07079	0.8
70.06582	1.9
71.01328	0.8
71.04999	1.5
72.08155	1.4
73.02924	23.0
73.29848	0.6
79.05474	1.0
81.03416	2.7
81.07043	1.5
83.04995	1.8
84.08143	2.7
85.02379	0.9
85.02909	17.4
86.09696	2.2
87.04460	1.5
91.05480	1.4
93.03949	0.8
93.04532	15.0
95.04965	2.1
95.06092	3.0
95.08603	0.8
97.02910	10.0
97.06551	0.9
98.97594	0.8
107.04953	12.3
107.13320	0.5
109.02878	2.5
111.04380	1.0
111.05577	2.6
115.03915	4.5
119.04966	6.9
121.02889	1.3
121.06551	0.6
123.04476	5.3
123.05559	42.5
124.07573	3.5
125.06005	1.0
127.03946	4.8
133.04984	5.4
137.06021	1.3
138.09169	0.7
138.78090	0.6
139.03912	5.8
141.06596	100.0
145.04980	6.0
145.06105	0.7
145.06470	0.5
146.08141	1.7
147.04469	3.3
147.08101	0.7
149.02342	0.9
149.05980	0.8
151.03918	3.8
151.05096	0.6
151.11169	0.6
164.08226	0.8
165.05458	0.9
166.08629	0.9
167.07062	1.2
167.09114	0.7
169.12360	0.9
215.03593	1.0
215.07045	0.9
240.12186	0.8
241.08676	0.6
243.06509	0.9
245.07997	1.1
255.06496	1.1
257.08209	1.2
273.07669	4.7
303.11780	6.2
311.68964	0.6
334.11386	0.8
345.14331	0.8
417.16605	1.0
435.12924	0.8
435.18271	7.5
454.78268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2511
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03922	1.7
55.05306	1.8
55.05519	17.5
56.26729	1.5
57.03445	10.5
57.07074	5.5
66.58669	1.5
67.05513	45.7
69.07069	22.0
69.33267	6.0
69.33695	6.9
71.08624	2.3
79.05499	13.0
81.07066	48.9
83.08621	12.9
85.06520	1.7
87.33771	1.7
91.05488	7.1
93.07047	15.3
95.05018	1.9
95.08619	42.6
97.06534	3.1
97.10193	5.9
98.20768	3.1
98.98477	56.0
99.08096	2.3
105.07040	5.9
107.08607	9.4
109.06527	12.2
109.10174	18.2
111.08090	4.4
113.18442	1.6
119.08594	6.0
121.10179	9.0
123.08080	1.9
123.11701	8.3
133.10156	8.8
135.11694	6.3
137.13272	5.6
147.11711	3.6
149.13269	4.0
151.14836	3.1
155.01051	21.2
157.10091	1.8
161.13281	3.0
163.14822	3.4
165.16405	1.5
173.02156	8.5
175.14853	2.9
245.22690	12.5
263.23749	26.1
337.27393	100.0
417.33377	3.2
435.28473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41742	4.8
55.05507	23.3
57.03437	15.1
57.07074	8.5
67.05508	74.4
68.23275	5.0
69.07069	28.8
71.08578	5.2
71.52180	6.2
79.05513	27.5
81.07073	76.1
83.04993	6.9
83.08621	20.7
84.52191	5.5
91.05482	22.9
93.07053	36.1
95.04964	14.4
95.08616	73.6
97.06532	7.4
97.10143	11.0
98.98482	100.0
105.07046	17.9
107.08608	27.2
109.06539	16.1
109.10159	33.2
119.08570	20.2
121.06507	5.9
121.10133	13.4
123.11710	19.1
125.09644	7.9
133.10153	12.6
135.11716	9.3
137.13242	5.7
145.10139	13.9
147.11694	16.0
151.11320	5.4
151.14897	6.8
155.01070	72.4
155.08563	7.6
157.10214	6.7
159.11761	5.1
161.13243	6.8
163.11183	5.6
165.16464	6.8
171.11563	5.1
173.02107	8.0
204.30098	4.8
213.12776	6.0
244.81819	5.5
245.22662	21.3
263.23727	58.6
337.27393	68.3
343.22638	15.9
375.84937	6.5
417.26721	10.6
435.27594	17.2
435.32755	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	435.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15161	0.4
53.03939	0.5
54.09429	0.4
57.03439	0.6
59.78967	0.4
61.02924	0.4
68.99780	0.5
69.03420	1.7
70.39719	1.4
71.04998	5.0
72.08134	0.5
73.02906	0.8
73.59656	0.5
73.78041	0.4
81.03410	0.8
83.05002	0.8
85.02907	8.6
86.06085	0.5
86.09711	0.6
97.02891	1.5
99.04433	0.5
107.04958	2.1
109.02872	0.8
111.04432	0.7
115.03952	0.5
119.04919	1.0
123.04424	1.4
127.03925	100.0
128.04259	0.6
129.05481	1.4
137.06006	0.7
139.03934	1.1
145.04938	1.0
147.04404	1.0
163.03909	0.6
167.07097	0.5
172.03726	0.5
177.05606	0.5
195.27530	0.5
207.06541	0.7
208.06964	1.0
215.03557	0.7
269.08182	0.9
273.07599	0.8
289.09216	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	435.1291
Annotation	Isosalipurposide
Peak:m/z	Relative Intensity
53.03949	3.7
55.01878	2.2
57.03436	4.1
59.05013	1.2
61.02934	6.8
63.14223	0.8
65.03944	1.8
67.05511	2.5
68.80121	0.8
68.99809	2.9
69.03436	19.0
69.07079	1.2
70.01741	3.7
70.06608	3.2
71.01384	1.0
71.04994	3.5
73.02929	2.7
79.05502	2.6
81.03421	10.4
81.07059	1.8
83.04978	2.1
85.02914	43.8
85.06573	1.1
86.09724	1.2
87.04474	3.2
88.04004	1.0
91.03964	2.3
91.05495	5.3
93.07044	0.9
95.04982	8.8
96.66144	1.0
97.02898	17.2
97.06509	0.9
99.04472	2.5
107.04966	100.0
107.08603	1.7
109.02887	6.0
109.06522	1.0
111.00807	2.4
111.04441	1.5
115.03911	1.1
117.07031	1.2
119.04958	38.9
119.08627	1.1
120.08120	1.2
121.02895	4.1
121.06483	1.0
121.10165	1.1
123.04446	23.9
124.07538	1.0
125.09708	1.2
127.03941	11.3
131.04941	3.2
133.06505	5.8
133.10101	1.4
135.04459	1.7
135.11690	2.4
136.07579	1.3
137.05934	1.1
137.09595	1.1
139.03917	44.5
145.04973	7.5
145.06493	6.1
147.04425	22.4
147.05544	1.6
147.08043	1.6
149.02379	5.0
149.09616	1.0
151.03908	19.0
155.03413	4.9
157.06563	2.8
161.06029	4.5
163.03934	2.3
167.03432	3.9
167.07060	1.9
171.04417	2.4
173.06000	1.2
177.05446	0.9
179.03447	1.3
185.06013	3.3
187.07585	1.9
189.05533	3.1
191.03450	1.5
199.07552	3.3
213.05626	1.8
215.07097	4.6
227.07082	2.3
231.06563	2.3
237.18529	3.1
243.06593	7.6
245.08127	12.9
255.06573	8.7
257.08102	19.6
259.11560	1.6
273.07590	40.0
302.12598	1.1
303.04810	1.2
417.16324	1.2
435.13232	1.0
435.18170	9.9
437.70697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.2
57.03445	1.9
57.07086	2.3
59.05001	3.1
61.02932	2.4
63.53318	1.3
67.05509	12.9
69.03438	3.1
69.07065	8.5
69.78052	9.2
71.04999	39.3
79.05490	6.6
81.07066	14.6
83.08629	3.8
85.02912	15.5
85.06552	100.0
86.09731	1.7
91.05481	7.0
93.07056	36.6
95.04979	4.2
95.08632	9.9
97.02925	3.4
105.07044	12.3
107.08608	20.7
109.02900	1.9
109.06523	4.4
109.10153	9.8
117.07010	1.7
119.08562	8.8
119.45800	1.7
121.10183	9.5
123.11721	4.0
127.03935	4.4
131.08601	2.5
133.10136	6.3
135.11697	24.1
137.09644	7.2
137.13263	3.8
144.70001	1.4
145.04980	6.0
145.10184	8.0
147.04436	2.5
147.11690	6.1
149.13272	9.6
151.11205	11.0
155.10707	4.7
159.11739	5.8
163.06059	3.7
187.11107	1.6
192.22673	1.5
201.16382	10.7
203.17963	4.4
209.15298	2.0
219.17433	1.8
271.06015	5.9
272.06354	12.8
272.08896	1.6
287.05719	2.0
288.05865	4.3
294.12988	1.7
434.12610	2.0
434.35022	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	435.1289
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
51.28934	1.1
53.03955	1.7
55.01871	2.7
55.50548	1.0
57.03439	7.8
61.02917	1.2
65.03947	1.9
67.05494	1.9
68.99805	3.3
69.03448	6.9
71.04999	2.2
73.02930	2.5
79.05501	2.0
81.03427	6.1
81.07058	1.2
85.02910	29.0
86.03226	1.1
87.04491	2.7
89.06043	1.3
91.05469	3.7
93.03425	1.8
93.07024	2.0
95.04975	4.1
97.02888	6.4
98.20772	3.7
98.21443	3.4
99.04457	1.9
103.03929	2.0
105.07034	4.5
106.07378	1.3
107.01277	1.5
107.04937	6.0
109.02912	6.1
111.00820	1.2
115.03940	3.2
119.04977	4.3
121.02866	17.6
121.06522	2.5
123.04478	5.9
125.02345	2.7
126.05531	1.5
127.03922	3.7
131.04948	1.6
133.04965	2.6
133.10162	1.6
135.04422	3.0
135.90091	1.1
136.07628	3.7
137.02383	1.9
141.01805	2.4
145.04907	1.5
147.04424	16.7
149.02342	3.3
153.01846	8.7
161.06076	2.0
163.03902	10.0
164.07069	2.0
165.01852	59.5
167.07071	9.4
171.02933	3.4
175.03958	2.4
177.01843	15.5
177.05513	1.9
179.03432	2.9
181.04956	13.7
183.02925	13.8
187.04007	2.4
189.01822	8.3
189.03395	1.1
190.99818	1.9
191.03400	25.5
193.01346	2.0
195.02908	100.0
196.03262	1.2
201.05531	1.7
203.03404	4.2
205.05035	3.1
205.08809	1.3
207.02846	3.0
209.00804	1.3
209.04498	1.7
215.03519	4.0
219.02908	42.8
219.17326	1.4
229.05023	3.3
231.02899	37.4
233.04509	2.7
233.08159	5.5
237.03958	2.3
243.02856	12.0
249.04013	11.2
255.06566	1.6
257.04614	3.0
260.08868	1.2
261.03983	26.4
263.09271	1.4
273.07697	6.6
273.16901	6.4
279.05023	8.8
285.07578	45.9
289.06064	1.6
297.07742	19.4
303.01572	2.5
303.05017	50.3
309.07669	1.8
315.05219	2.5
315.08636	22.6
339.08673	43.4
345.06146	2.2
346.01999	1.2
351.08624	25.2
363.08588	8.3
369.09821	4.3
381.09641	12.5
399.10818	14.6
417.11636	2.1
435.09061	2.8
435.22116	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03939	3.5
55.01868	3.1
57.03437	4.4
61.02924	6.8
65.03950	1.2
66.78953	0.7
66.98760	0.9
67.05511	1.2
68.99785	3.5
69.03432	17.1
70.06602	1.4
70.83419	2.6
71.04990	2.2
73.02895	1.6
76.41454	0.9
81.03426	8.5
83.05003	4.4
85.02908	41.4
87.04468	2.4
89.11802	0.9
91.03954	2.3
91.05489	2.6
95.04965	7.0
97.02898	17.0
99.04448	2.2
107.04961	100.0
108.05283	1.2
109.02899	6.1
111.00809	2.5
111.04440	2.3
119.04944	32.9
121.02864	2.3
123.04435	28.7
124.07619	1.0
127.03912	9.2
131.04919	3.1
133.06511	4.4
139.03908	48.4
145.04968	8.4
145.06520	1.8
146.08087	2.5
147.04410	12.4
147.08018	1.4
149.02332	5.3
150.09488	0.8
151.03906	22.5
155.03410	1.8
157.06462	1.0
161.05984	3.3
163.03926	2.5
167.03424	1.5
167.07112	1.7
171.04402	1.3
171.08096	1.1
179.03363	2.3
181.06459	1.5
185.06012	1.1
187.07605	1.0
189.05507	2.2
199.07434	1.2
203.07024	1.3
204.07826	0.9
215.07022	5.1
227.06976	1.1
231.06587	2.3
239.06982	1.6
243.06595	7.0
245.08109	14.7
255.06485	5.7
257.08115	18.3
273.07584	28.2
320.71536	0.9
435.17999	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.3
55.01881	7.8
55.87601	0.9
57.03444	16.1
59.04993	1.8
61.02932	15.5
69.03434	30.7
69.45077	7.5
71.01350	4.0
71.04997	1.5
73.02926	75.6
80.74683	1.0
81.03423	6.9
82.06590	2.0
83.04967	1.0
85.02913	100.0
87.04468	4.0
91.03972	4.9
93.36795	1.0
97.02900	57.0
98.20667	1.7
99.04464	3.3
103.03934	3.4
103.05461	1.2
105.07041	44.8
109.02894	7.7
111.04440	1.5
115.03939	29.9
117.41618	0.9
127.03928	36.7
129.06976	1.4
133.04976	41.5
142.85236	1.0
145.04973	63.3
147.08057	3.0
150.07628	4.6
151.07585	1.3
155.12065	1.0
158.11765	1.4
163.06027	30.9
180.08646	1.3
193.04964	1.8
199.06087	2.1
201.09163	7.8
217.07140	2.1
219.10196	5.1
223.06065	7.6
231.10196	1.3
237.11336	1.2
241.07123	8.3
248.44643	1.1
249.11330	2.2
255.12273	3.3
259.08139	14.4
272.06461	1.3
277.09247	3.8
285.13342	8.5
295.10291	6.1
303.05002	2.2
434.20038	3.3
435.22165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49875	1.4
54.71655	1.6
57.03443	22.0
57.69012	1.4
59.04995	4.0
59.09124	1.5
60.04516	2.4
61.02925	5.4
69.03437	79.4
69.69298	8.2
71.04989	4.4
73.02901	2.0
81.03426	4.1
81.07072	1.8
82.06569	2.1
85.02914	93.0
87.04478	52.8
97.02903	69.4
97.03537	3.6
99.04451	3.1
105.07001	8.1
109.02892	3.6
115.03941	100.0
117.05446	1.7
125.07034	1.6
126.05540	1.9
127.03926	18.9
133.04977	97.9
145.04990	34.3
146.09648	1.6
147.08022	3.8
150.07623	15.2
163.06020	15.7
181.04951	4.5
189.09081	2.7
201.09065	2.6
219.10234	2.5
223.06067	1.8
233.08231	1.8
241.07098	3.8
259.08145	6.6
272.06390	5.8
277.09216	4.9
285.13324	7.1
287.05420	3.6
288.05887	5.1
295.10236	3.9
303.04834	2.4
308.01312	1.4
385.83362	1.6
395.74985	2.0
434.21808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75637	0.3
52.58426	0.4
53.03940	0.5
55.01878	2.9
55.05495	0.5
56.96564	0.6
57.03444	5.9
58.06604	2.5
59.04998	0.6
60.53984	0.3
61.02927	1.5
68.05034	18.2
69.03439	5.2
70.06596	1.1
71.01350	1.6
72.08166	6.8
73.02930	4.4
75.04484	0.4
75.35617	0.5
77.58748	0.5
81.03426	1.0
82.06596	1.9
84.04529	0.7
84.08134	0.8
85.02916	7.8
86.06075	100.0
86.09716	0.5
86.66777	0.4
87.04483	1.7
91.05489	0.7
94.06607	0.6
96.04496	0.6
96.08105	0.5
97.02914	4.0
98.06059	0.6
98.09742	0.5
98.97590	0.8
100.07628	5.9
101.00906	0.8
103.03954	0.8
107.04965	0.6
109.02856	0.6
110.06036	0.6
114.05533	1.7
115.02512	0.5
115.03942	2.9
116.98636	0.5
118.08676	3.0
119.01955	0.7
119.04991	1.1
121.02905	0.9
121.06515	1.2
122.06069	0.9
122.84417	0.4
123.05527	0.4
126.06654	5.3
127.03945	1.4
128.07092	5.8
128.07997	0.6
131.01924	1.1
133.04950	3.0
136.06183	0.8
137.06076	0.5
139.12396	0.5
140.07156	0.7
140.08205	1.6
142.05043	0.6
143.01926	1.1
145.03499	0.8
145.04976	0.6
146.08156	3.1
147.04416	4.5
147.50372	0.4
148.04739	0.4
151.07564	1.2
155.01900	0.9
157.03577	0.6
157.09737	26.7
158.08145	0.7
158.10097	0.6
158.83284	0.4
161.02966	1.4
163.03973	0.6
167.11893	2.9
173.03008	1.0
182.08095	0.6
183.01135	0.4
185.03000	1.3
185.09238	12.0
185.12831	5.1
187.04620	1.0
189.02399	0.4
191.03532	0.5
199.10747	1.1
201.02437	0.6
203.04066	0.8
204.07236	0.7
205.03613	0.7
205.05435	0.5
213.12352	2.0
218.10324	0.7
219.01773	0.5
221.05122	1.1
223.04764	0.8
227.10356	1.0
228.07199	0.9
231.13419	56.4
232.13698	0.5
235.06723	0.6
245.05040	0.9
246.08348	0.6
253.07683	0.5
254.08876	0.4
273.14490	2.9
279.09424	0.6
283.88104	0.5
284.16171	1.2
289.14023	1.8
302.17130	28.5
305.10672	0.4
314.07251	0.6
317.13486	10.9
319.08774	0.6
327.15625	0.7
332.08270	0.7
344.18198	6.8
363.17636	23.9
364.07437	0.4
369.09998	0.4
380.18677	0.5
408.10950	0.6
434.21390	17.9
444.79556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.05523	6.3
57.07074	3.1
59.05004	3.0
67.05514	8.9
69.03429	10.1
69.07070	9.1
69.94826	3.9
69.95232	6.7
71.04653	3.4
71.05011	40.3
73.06543	3.3
79.05500	18.1
81.03386	1.9
81.07073	45.9
83.04996	3.6
83.08633	3.9
84.04532	3.1
85.02926	14.8
85.06577	4.7
91.05489	14.8
93.07068	26.2
95.04997	6.2
95.08619	25.2
97.02905	2.1
97.06548	8.7
97.10185	3.8
99.08107	15.2
100.07615	2.4
105.06396	3.9
105.07050	47.8
107.04980	2.8
107.08617	30.6
109.06522	4.0
109.10182	15.4
111.08163	3.3
117.07090	2.3
119.08617	17.8
121.06479	2.3
121.10159	18.1
123.04421	2.3
123.08061	3.2
123.11727	8.8
123.69859	2.1
125.09660	28.9
127.03928	3.5
127.07594	6.3
127.11243	7.2
131.08580	11.6
133.10158	84.8
135.11746	4.6
143.10696	60.5
145.04994	2.7
145.10149	17.8
147.11743	17.3
147.53526	1.9
149.13261	15.3
150.56299	2.5
151.11230	6.6
155.10715	3.2
159.11728	16.6
161.13319	7.1
163.11221	2.4
167.14345	37.8
169.12201	3.2
173.13254	2.9
186.01680	1.9
187.11217	3.0
191.10654	2.2
191.89302	1.8
192.71718	1.9
201.16441	21.6
219.17479	100.0
237.18564	23.7
272.06348	2.4
287.05307	2.9
301.07074	3.1
302.07565	6.7
434.12646	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
52.07416	0.4
54.76409	0.4
55.01877	0.6
55.05503	0.9
57.03424	0.7
67.05502	1.0
68.99782	0.6
69.03437	2.9
69.07043	0.9
70.06562	0.5
70.34196	0.4
70.34520	1.2
71.04994	2.2
72.08141	1.3
79.05475	0.7
81.03413	1.2
81.07072	2.0
83.04979	1.0
83.08659	0.5
84.08125	1.1
85.02903	4.0
91.05463	1.3
93.07031	1.4
95.04975	0.6
95.08591	1.5
97.02887	1.7
97.06516	1.6
99.04430	0.4
99.08094	0.5
105.07015	1.0
107.08566	1.8
109.02856	1.1
109.06523	0.8
109.10136	1.9
111.08086	0.5
118.04221	0.5
119.04984	0.5
119.08562	1.2
120.08108	0.4
121.02861	0.9
121.10139	1.4
123.08017	0.5
125.09607	1.0
127.03892	1.1
127.11185	2.0
129.05458	0.4
131.08554	0.7
133.10135	0.9
135.11641	0.5
137.05933	0.7
137.09624	1.8
139.11174	0.6
145.02885	0.4
145.05008	0.5
145.10127	0.6
147.11688	0.9
149.02386	0.6
149.05930	0.5
149.09636	2.8
151.11192	0.6
153.01839	2.2
155.10645	2.2
155.18925	0.4
164.07025	0.4
165.01772	0.4
167.10675	3.3
167.14355	1.1
168.00562	3.7
169.01309	0.5
181.05000	0.6
185.11699	0.8
185.15434	1.0
186.01622	1.3
205.15814	0.5
212.04721	0.6
215.07036	1.8
217.15865	0.6
220.39055	0.4
223.16899	1.9
235.16940	4.0
240.04208	0.7
241.08600	0.8
243.06557	1.1
253.05022	0.6
253.18022	2.4
255.06734	0.4
258.05298	2.0
268.03677	0.5
271.06015	29.8
271.18976	2.7
283.06100	1.2
285.03940	5.7
286.04730	70.0
287.05399	2.7
301.07077	100.0
302.07397	1.4
309.08051	0.4
313.07141	1.5
343.08105	1.4
398.18079	0.4
433.10965	2.6
433.16064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1495
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05496	0.4
56.78805	0.4
63.44887	0.4
66.26853	0.5
67.05483	1.1
68.15906	0.4
68.48400	0.4
69.07046	0.5
69.23979	4.0
75.59016	0.4
79.05455	1.0
79.12119	0.4
81.07015	1.1
83.08589	0.4
91.05432	0.8
93.07013	0.9
95.08559	0.7
97.06486	1.2
98.21557	1.0
105.07005	1.1
107.08567	0.5
119.08527	0.7
121.02873	0.6
121.10125	0.8
121.92348	0.4
127.03922	0.6
131.08453	0.5
137.05968	0.5
149.05942	0.5
151.07513	0.5
155.07178	0.5
165.05490	6.4
175.07567	0.4
177.05460	0.6
178.06308	1.1
181.04964	0.6
183.02863	2.7
199.29559	0.5
201.05528	0.5
205.05083	0.5
211.02396	2.3
213.05495	0.6
225.09213	0.5
233.08055	0.5
243.06519	0.7
245.08308	0.5
271.05966	2.0
273.07486	0.6
283.06015	2.0
289.07083	2.5
295.05917	0.5
299.05637	2.4
301.07050	0.6
311.05557	2.0
313.03741	1.0
313.07034	1.8
314.07736	1.1
315.05029	0.5
315.08551	0.6
317.06598	3.1
325.07059	0.6
327.05057	3.4
327.08493	0.9
329.06534	2.0
331.08234	1.1
332.08710	0.6
339.05029	2.5
341.02866	1.0
341.06577	1.6
342.07288	1.8
345.06052	8.2
345.09900	0.8
354.07596	0.7
355.04507	1.3
357.05984	1.6
357.09784	1.9
359.07550	1.9
360.08429	3.0
369.05878	1.0
370.06921	0.8
371.07370	0.8
373.05502	4.0
375.10776	2.0
385.09198	6.7
387.06812	3.8
387.11307	0.5
388.07751	4.1
399.10724	1.0
403.10263	68.9
404.10809	1.8
415.12909	1.0
417.11789	3.8
418.12656	8.0
433.14969	100.0
434.15256	1.8
457.85095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78643	2.0
53.03942	3.2
55.05503	8.2
57.03423	10.6
57.03686	2.3
57.07076	5.1
59.69907	2.1
65.03922	3.0
67.05513	46.3
69.07059	11.9
71.05002	2.6
71.52147	2.5
71.52512	2.8
79.05081	2.8
79.05502	30.8
81.07061	52.6
83.08609	7.3
91.05494	20.4
91.58083	2.2
93.07053	40.8
95.08614	43.6
97.10175	3.7
98.98475	100.0
99.08113	4.5
105.07056	15.6
107.08606	28.7
109.09531	3.1
109.10166	22.4
117.07049	5.6
119.08594	34.4
121.10153	20.2
123.08068	2.7
123.11701	7.6
125.10755	2.2
131.08588	14.5
133.10123	11.2
135.11702	18.3
137.09612	2.5
137.13255	4.3
145.10135	14.3
147.11732	4.6
149.13318	12.2
155.01054	28.1
155.08533	2.3
159.11668	10.5
161.13292	6.7
163.14862	8.9
165.81026	2.0
173.02115	12.2
173.13272	10.7
187.14774	7.7
194.03880	2.8
201.16391	3.0
229.63518	2.4
233.22592	2.8
243.21083	22.6
261.22153	76.4
264.13052	2.9
283.06018	2.8
317.24728	9.7
335.25827	55.6
366.25455	2.7
415.22174	11.9
433.23425	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	433.2356
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03945	1.8
55.05517	8.3
57.03447	7.5
57.07075	1.7
60.72144	1.1
65.98476	1.1
67.05511	41.7
69.07077	9.9
70.77429	3.6
71.08643	1.1
79.05066	1.9
79.05499	23.2
81.07063	46.5
83.08614	4.4
83.73116	1.2
85.06522	1.5
89.06091	1.1
91.05489	10.4
93.06492	2.1
93.07054	32.3
95.04949	1.6
95.08614	39.9
97.06525	2.4
97.10155	3.0
98.98476	64.7
99.08096	2.0
105.07037	12.0
106.11926	1.2
107.08591	20.5
109.10163	21.1
111.08075	1.9
112.63482	1.1
113.12411	1.1
117.06993	4.3
119.08595	8.3
121.10141	15.7
123.11702	7.4
131.08551	8.6
132.70522	1.5
133.10153	8.1
135.11719	12.4
137.13216	2.4
145.10109	8.0
147.11679	7.0
149.13246	10.4
153.12753	1.3
155.01015	8.5
159.11697	7.6
161.13202	5.2
163.14812	4.7
173.02110	10.2
173.13278	6.2
175.14873	1.7
177.12624	1.3
177.16518	2.4
183.39189	1.0
187.14810	3.5
222.09317	1.2
227.81802	1.2
233.22748	2.6
243.21089	11.9
261.22171	38.0
283.05997	1.7
313.07150	2.1
317.24774	6.1
335.25821	100.0
336.26224	1.7
337.07089	1.7
373.90741	1.2
415.22488	2.2
452.19263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
54.04378	2.5
55.05279	2.6
55.05515	29.2
57.07055	5.2
59.05006	58.8
61.31398	1.9
61.93149	1.9
64.06972	2.0
67.05511	20.0
67.17121	2.8
68.02370	2.2
69.03427	3.3
69.07053	8.6
69.24747	8.0
69.25173	10.5
70.10693	2.1
71.04974	2.3
71.08634	2.4
75.58432	2.5
79.05505	15.3
81.07056	23.4
83.04970	2.9
83.08620	4.3
83.76540	2.1
85.06546	100.0
86.57831	2.1
91.05484	38.7
93.07049	32.8
95.04956	8.6
95.08609	23.1
97.59064	2.3
99.08070	6.7
100.11697	2.2
103.05415	2.7
105.07031	38.6
107.08611	26.0
109.06506	8.5
109.10173	18.1
111.08082	14.4
113.00053	11.3
115.05456	3.5
117.07021	16.3
119.08591	65.8
121.06493	3.8
121.10162	22.7
122.07292	3.8
123.08048	9.0
123.11736	4.0
125.05952	2.2
125.09636	25.5
128.06242	6.1
129.07001	9.1
130.07787	2.8
131.08572	21.9
133.10127	26.9
135.08031	4.5
135.11693	9.1
137.09631	22.3
141.06987	3.6
142.07785	8.7
143.08571	20.3
144.09364	6.2
145.10133	31.4
147.08067	5.4
147.11670	9.9
149.09608	8.9
151.11195	30.3
153.05479	10.7
153.06987	3.0
155.08549	8.9
156.09341	9.5
157.10138	26.9
159.11720	14.4
161.09604	4.9
161.13200	4.7
163.11162	10.4
163.14812	3.4
167.08565	5.5
168.09349	4.4
169.02660	10.9
169.10107	10.4
171.11719	25.4
172.12445	2.6
173.09546	2.4
173.13290	6.1
175.11124	2.5
175.14755	4.1
177.12784	2.4
179.08549	5.3
180.09378	3.3
181.10077	8.3
182.10965	3.7
183.11716	15.2
185.13245	11.8
187.11223	3.0
189.12723	6.7
192.09372	3.3
193.10161	6.3
194.10934	4.4
195.11684	10.1
195.13383	2.7
196.12354	2.5
197.13280	9.0
199.14813	2.3
203.14328	5.7
207.11684	5.3
209.13234	14.0
211.14801	5.4
213.12743	2.7
215.14265	5.9
219.11757	2.9
221.13239	9.5
222.14061	2.3
223.14801	9.9
225.16562	2.6
233.13289	2.7
234.68564	2.4
235.14755	4.1
246.14009	3.1
249.16495	4.0
253.16119	2.5
261.16534	2.2
263.18063	2.8
267.17422	3.7
275.20212	3.0
275.23282	2.4
291.20972	3.9
309.22049	2.2
341.24854	3.6
343.92865	2.7
354.25513	2.5
374.90305	2.5
433.30481	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
61.02935	0.2
67.01872	0.4
67.05503	0.2
68.99786	0.2
69.03426	0.2
69.85907	0.6
71.04984	0.4
81.03407	0.1
81.07056	0.2
83.04975	0.1
85.02901	0.5
91.05467	0.3
93.07037	0.2
95.08589	0.2
97.02869	0.2
97.06534	0.2
98.20805	0.1
107.08670	0.1
109.02837	0.1
109.10195	0.1
111.00799	0.1
119.04942	1.8
121.02852	0.6
122.72043	0.1
128.44342	0.1
129.01816	0.1
135.56628	0.1
139.86176	0.1
145.02826	0.4
147.11728	0.1
151.50011	0.1
153.00577	0.2
153.01836	4.2
163.03929	0.3
167.10678	0.2
171.02908	0.3
187.03963	0.2
215.06946	0.1
229.05000	0.4
229.81935	0.1
243.06523	0.2
247.06068	0.2
253.04926	0.2
271.06030	100.0
272.06363	1.3
287.05484	1.4
433.11218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.54521	0.2
52.20446	0.2
59.25914	0.2
67.01833	0.6
69.03419	0.2
69.97166	0.3
69.97567	0.5
71.04978	0.3
76.96396	0.2
78.27036	0.2
81.07057	0.2
82.52547	0.2
85.02903	0.4
91.23371	0.2
91.55538	0.2
113.14323	0.2
118.54017	0.2
119.04945	1.8
121.02857	0.4
125.77339	0.2
130.41112	0.2
133.87308	0.2
145.02855	0.7
153.01840	4.0
154.23489	0.2
162.43451	0.2
163.03952	0.4
164.58386	0.1
171.02861	0.2
203.94762	0.2
218.73254	0.2
222.51163	0.2
229.04999	0.2
271.06021	100.0
272.06348	1.0
287.05551	0.5
433.11346	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Galanginin
Peak:m/z	Relative Intensity
52.27648	0.7
54.82220	0.8
55.05508	1.5
56.75407	0.8
57.03431	3.6
61.02917	2.3
67.05501	2.3
68.99809	1.0
69.03433	7.9
69.07069	3.3
69.43017	1.8
69.43427	4.1
71.04996	6.3
72.08131	1.3
76.49499	0.8
78.03486	1.0
79.05492	2.4
81.03425	5.4
81.07043	4.8
83.04971	2.0
83.08616	1.0
84.08143	1.2
85.02910	13.2
85.06532	1.8
87.00779	0.8
87.04473	0.9
91.05501	4.1
93.07043	3.7
95.04952	1.4
95.08614	4.3
97.02901	5.3
97.06522	5.1
99.04472	2.3
99.08081	1.3
101.20399	0.8
105.01876	0.9
105.07037	2.2
106.02918	2.7
107.03257	1.3
107.04957	1.9
107.08629	4.0
109.02881	3.4
109.06503	2.1
109.10144	3.3
115.05423	1.1
119.04947	5.7
119.08582	2.4
120.05262	0.9
121.02859	1.9
121.06505	1.6
121.10153	3.4
123.04415	1.7
123.08044	1.8
123.11745	0.9
124.03963	5.4
125.04279	1.8
125.09628	3.2
125.88024	0.9
127.03094	0.8
127.03918	4.8
127.11185	5.9
129.05466	1.2
131.08594	1.3
133.06470	1.0
133.10158	1.7
135.08067	1.3
135.40070	0.8
137.05989	1.7
137.09631	6.8
139.11171	0.9
145.02858	1.0
145.04936	1.3
145.10126	1.4
147.04408	13.0
147.11638	2.3
148.04758	9.3
149.02357	2.7
149.05986	1.0
149.09612	6.9
149.13260	1.0
151.11140	0.8
153.01825	5.7
153.09111	1.2
155.10667	7.3
159.04369	1.0
161.09647	1.2
163.11249	1.2
164.07129	1.2
165.01849	1.2
167.07007	1.7
167.10686	10.4
167.14307	3.9
169.06407	0.8
175.03922	2.2
181.04976	2.8
185.11671	1.2
185.15359	1.2
187.07599	1.3
197.05966	0.9
205.15860	1.8
207.06543	4.9
207.17598	0.8
215.07108	4.4
217.15860	1.7
223.16942	6.3
229.30783	0.8
235.16927	10.0
243.06566	3.2
244.93906	0.9
251.07472	0.9
253.05051	1.9
253.14346	0.9
253.17986	8.1
268.08090	1.1
269.08447	3.5
271.06030	100.0
271.18964	5.5
272.06311	1.0
283.05994	1.6
287.05539	7.5
299.05490	1.0
313.07050	2.2
389.17923	6.1
397.08835	1.1
415.11685	1.1
433.11395	1.4
433.16989	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	432.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66291	2.0
53.50383	2.1
55.05509	7.4
57.03467	2.2
57.07082	4.0
67.05515	13.2
69.03431	2.5
69.07074	23.2
69.19262	17.3
69.19675	5.4
74.99028	2.6
78.87246	2.3
79.05491	6.8
81.07064	28.8
83.08624	6.0
85.15902	2.1
91.05486	10.8
91.30092	2.3
93.07040	14.0
95.04961	3.0
95.08065	4.0
95.08623	50.8
95.88215	2.2
97.10167	3.5
101.95253	2.1
105.07040	23.0
107.08608	29.0
107.62594	2.1
109.06519	3.0
109.10172	31.1
111.11753	5.1
117.07005	3.6
119.08587	37.8
121.10162	20.1
123.08083	4.4
123.11703	14.9
125.05973	4.3
131.08598	8.5
131.36629	2.0
133.06544	3.2
133.10150	14.0
135.08095	7.8
135.11740	12.8
137.09608	2.5
137.13266	16.2
139.07523	6.6
141.09096	3.6
145.10146	9.9
147.08080	3.9
147.11705	8.8
149.13254	6.6
150.06758	4.8
151.07535	12.8
151.14822	8.3
153.09111	3.6
155.07014	3.0
157.10097	3.7
159.11708	7.7
161.09645	4.8
161.13286	6.6
163.07552	6.1
163.11183	3.7
163.14845	5.8
165.09132	2.8
166.95889	2.5
173.09734	2.3
173.13339	4.7
175.11092	2.3
175.14787	5.6
177.09143	7.7
177.16420	20.5
187.14911	3.6
191.10699	14.9
191.14392	6.2
191.17982	10.2
193.12360	2.5
201.12735	3.9
203.18008	8.5
205.12260	9.4
205.16031	2.6
205.19574	6.8
207.13812	8.0
219.11798	4.2
219.13837	65.2
231.13863	2.8
233.15350	3.6
237.14832	19.8
245.15492	2.5
247.17055	3.6
251.16423	5.0
287.20187	3.9
369.31503	5.7
385.31021	3.7
397.31042	59.6
400.32208	4.4
414.35034	19.0
415.26550	5.0
415.32111	100.0
432.19174	4.6
432.34610	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	433.1135
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
52.16660	0.7
55.01849	1.0
55.05503	0.9
57.03431	1.6
65.03962	0.8
67.05498	1.6
68.99792	1.4
69.03411	2.8
69.74334	1.9
69.74751	2.2
70.06580	1.3
71.04978	1.9
73.02903	0.7
79.01855	0.7
79.05486	1.0
81.03402	2.1
81.07063	2.1
83.52467	0.7
84.08131	1.7
85.02908	5.7
86.09709	1.1
91.05488	1.7
93.07042	1.8
95.04964	1.7
97.02892	2.2
105.07034	1.5
105.85033	0.7
107.08580	1.8
109.02883	2.4
109.06506	0.9
109.10175	1.4
111.04431	0.8
119.04945	4.3
119.08627	0.8
121.02858	12.1
127.03919	2.0
133.10207	1.3
135.04456	0.7
137.02342	1.0
137.05971	1.3
141.01857	1.3
145.02829	3.0
147.04416	1.6
149.02368	1.4
149.06026	1.0
153.01894	1.2
163.03931	4.2
165.01851	13.9
167.03436	2.1
167.06984	0.8
167.10643	1.2
167.14377	1.0
175.04021	0.7
177.01811	1.2
181.04951	1.9
183.02873	4.0
185.11728	0.8
185.15266	1.2
187.03931	2.4
189.01831	0.9
191.03430	1.5
195.02917	1.7
203.03372	0.8
207.02911	1.0
211.07318	0.8
211.13226	0.8
213.05507	1.7
215.03413	0.8
217.04944	0.9
221.08229	0.8
229.04987	1.4
235.13367	1.0
239.07161	1.1
243.02888	2.0
253.14301	1.0
253.17740	0.7
255.06471	1.8
256.07202	2.1
261.04010	1.5
267.06534	8.1
270.05185	3.4
271.06027	26.4
279.06625	1.7
281.08032	6.8
283.06027	100.0
284.06787	15.6
285.07535	1.7
287.05487	5.8
295.06027	13.3
295.09512	1.3
297.04279	1.3
297.07501	7.6
305.08133	2.3
307.06021	1.8
308.06805	2.8
309.03989	2.2
309.07526	19.3
311.05499	1.6
313.07071	82.7
321.07642	2.6
323.05728	0.8
323.09119	19.8
324.09619	0.9
325.07147	1.5
333.07541	2.7
337.07083	34.7
343.08124	2.1
349.07114	10.2
351.08606	3.6
361.07059	7.4
367.08170	24.0
379.08212	18.9
397.09225	23.7
415.10281	24.4
433.11295	30.2
434.11426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
62.25029	0.4
62.51979	0.3
64.18365	0.4
69.03434	9.0
69.07079	0.5
69.80766	1.8
70.06589	1.0
70.25921	0.4
72.08155	0.7
72.91989	0.4
78.03458	0.8
78.10729	0.4
80.05023	2.6
81.03413	0.6
82.06583	0.4
84.04498	0.4
85.02936	2.2
86.09705	1.3
87.04482	3.7
89.03916	3.8
89.06042	1.5
91.05486	0.9
96.04500	1.8
97.02881	2.5
103.05482	0.5
109.02859	0.6
113.02258	0.4
117.03387	15.9
124.03962	100.0
128.07140	0.5
131.07001	0.4
133.08623	0.9
134.03615	1.0
135.04422	1.2
137.05977	0.5
145.02858	48.4
147.04451	0.6
149.05983	5.8
163.03937	1.2
165.05504	0.4
175.09642	0.5
177.05481	62.6
195.06593	1.1
271.06052	1.4
292.95425	0.4
300.06320	0.5
309.09702	64.1
310.10016	0.8
351.20056	0.7
400.51831	0.4
432.12640	0.9
432.22562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65182	0.2
57.03419	0.4
57.57404	0.2
59.04996	1.2
60.04524	0.3
69.03444	1.2
69.07076	0.2
70.06573	0.3
70.83459	0.4
72.08169	1.1
73.02902	0.3
75.86552	0.2
78.03457	1.3
79.05463	0.2
80.05020	0.4
81.03422	0.3
84.04540	0.2
84.08146	0.2
85.02911	1.8
86.09708	1.2
87.04470	0.3
87.10065	0.3
89.06037	12.0
91.04005	0.2
96.04472	0.3
97.02897	100.0
103.07596	0.4
106.02923	5.1
107.04930	0.5
107.07079	0.6
109.02888	0.3
110.06033	0.2
116.07125	0.3
120.04456	0.3
124.03963	7.0
127.03938	0.5
133.08617	4.2
136.07582	0.2
138.05508	0.3
145.02893	0.5
145.04939	0.3
147.04440	0.3
151.09708	0.7
152.07094	0.3
166.08650	0.2
172.80484	0.2
177.05505	1.2
177.11269	0.9
178.08545	0.2
195.12282	7.1
196.06062	0.3
198.05548	0.5
220.06065	22.4
221.06403	0.3
234.07681	0.6
238.07086	3.8
249.79555	0.2
252.08647	0.3
253.16475	14.0
256.08124	0.9
262.14853	0.3
270.09830	0.7
382.11618	0.3
400.12463	6.3
432.16058	1.8
433.16461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.05006	6.7
61.02929	1.0
69.03436	2.9
70.06590	1.1
71.04954	0.6
71.17425	0.7
71.17791	0.9
72.08139	1.6
78.03450	0.8
81.03427	1.5
84.08123	0.6
85.02910	7.9
86.06089	0.6
86.09710	2.3
87.04472	2.4
87.10021	0.7
89.06037	75.7
91.05461	0.6
93.04855	0.6
97.02898	47.0
103.07586	2.1
106.02923	2.3
107.04974	1.2
107.07069	3.9
109.02917	0.7
117.03419	0.6
120.04406	0.8
124.03967	3.5
127.03907	1.8
132.98175	0.6
133.08617	24.4
138.05463	0.9
138.09099	0.6
145.02873	1.8
145.04938	0.9
147.10162	1.1
151.09660	4.8
163.93279	0.6
166.08688	0.7
170.06071	0.7
177.05493	3.5
177.11249	6.1
195.12297	44.3
196.71323	0.5
198.05458	0.9
198.35364	0.5
216.06538	1.1
220.06067	10.0
234.07611	1.1
235.15332	0.8
238.07120	1.0
253.16475	100.0
254.16827	1.5
270.09702	0.6
309.09662	0.9
313.06754	0.7
375.08905	0.7
400.12616	2.3
432.13358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55894	6.4
67.05506	16.2
69.07052	12.4
69.50623	42.6
70.76461	7.2
79.05507	9.8
81.07052	12.6
85.06576	9.3
95.08609	13.6
97.01006	6.5
97.06536	26.9
107.08618	8.4
157.35626	7.0
177.86324	7.0
234.16217	7.0
257.59644	6.0
269.17459	21.9
313.06946	9.4
314.07474	9.3
316.05228	9.3
318.06845	6.4
327.05026	9.2
328.05298	21.0
342.24298	6.9
370.10361	17.4
395.38763	6.9
414.12634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1342
Annotation	Ononin
Peak:m/z	Relative Intensity
55.01883	0.1
55.05502	0.3
55.81146	0.1
61.02909	0.2
68.99813	0.2
69.07043	0.3
79.05489	0.2
81.07047	0.4
84.08103	0.2
85.02914	0.2
91.05508	0.2
93.07045	0.2
95.08644	0.3
97.02908	0.2
97.06531	0.6
97.10186	0.3
101.40119	0.1
105.07026	0.4
107.04958	1.3
107.20782	0.1
108.02118	0.2
109.10167	0.2
118.04171	2.5
119.08566	0.2
121.10144	0.2
123.04430	0.2
123.08066	0.1
133.06482	0.4
136.01576	0.5
136.07581	0.2
137.01419	0.2
137.02321	0.9
143.10698	0.2
154.02660	0.8
156.05762	0.1
163.03899	0.3
164.07112	0.2
168.00514	0.8
170.07274	0.4
181.06506	0.6
182.07199	0.2
183.02930	2.0
183.08124	0.2
185.09663	0.2
186.01678	0.3
195.08026	0.2
197.05986	1.2
198.06775	0.8
209.05983	0.2
213.09129	5.2
225.05492	0.5
226.06276	3.0
237.05498	4.4
237.07875	0.2
239.06972	0.2
241.08760	0.3
251.06950	0.2
251.91670	0.2
253.04996	3.8
254.05768	5.1
269.08102	100.0
270.08426	1.5
313.89258	0.1
323.12698	0.2
326.04132	0.2
341.06735	0.3
354.07611	0.2
367.15100	0.2
369.09650	0.3
387.10660	0.2
390.85486	0.2
395.11536	0.2
395.27921	0.2
399.40250	0.2
413.12259	1.7
431.13705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82749	0.7
53.69808	0.6
55.05519	4.9
57.03436	1.6
57.07084	23.5
65.03944	0.7
67.01881	1.5
67.05167	0.6
67.05499	3.1
69.07080	8.4
70.81808	1.3
71.04964	0.8
71.08646	17.3
79.05486	1.6
79.38084	0.6
81.07069	10.8
81.14732	0.6
81.16211	0.6
83.05002	3.0
83.08633	5.7
85.10191	8.7
88.92272	0.6
91.05495	3.1
93.07054	6.3
95.08624	9.0
97.06503	0.9
97.10181	3.6
99.11742	1.0
101.09226	0.5
105.07032	1.9
106.78835	0.6
107.08575	1.2
107.60563	0.6
109.06538	3.4
109.10187	3.7
111.04449	0.6
111.11715	2.5
111.19807	0.6
119.08599	2.7
121.06509	2.8
123.08094	4.3
123.11697	1.4
125.13290	0.7
131.08588	1.5
133.06459	1.2
133.10098	1.3
135.08047	2.1
137.05022	1.2
137.05997	15.9
137.09613	1.2
138.06731	0.7
139.03918	1.1
139.07590	3.7
143.08571	0.8
147.08080	3.8
147.11690	0.7
149.06026	4.9
149.09566	1.1
151.07561	36.0
151.14793	1.4
157.10103	1.6
159.08076	2.3
161.05983	4.8
161.09689	1.5
161.13263	0.7
163.07521	1.1
163.52948	0.7
165.05499	11.5
165.09129	12.1
167.07059	100.0
171.11766	0.7
174.06735	0.8
175.07526	6.1
175.11220	2.0
176.08401	0.7
177.09166	4.9
179.07109	5.5
179.10669	4.5
181.08615	4.3
188.08360	1.7
189.09125	8.4
189.12685	1.1
191.07068	2.1
191.10655	2.3
192.07840	1.9
193.08643	9.5
195.10219	0.9
200.58824	0.7
203.10695	7.0
205.12199	1.0
207.10210	13.2
217.12215	4.3
221.11745	6.7
221.91515	0.9
231.13783	1.9
235.13322	2.8
245.15388	1.0
249.14861	1.2
263.16544	1.1
277.17868	1.4
288.37192	0.8
291.19629	1.2
305.21118	1.9
353.84451	0.7
400.18616	0.7
403.35779	2.8
413.34256	5.8
431.35275	56.7
432.35916	0.8
441.58331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.7
67.05492	10.9
67.18258	5.2
69.07060	14.0
69.73931	5.5
69.95953	28.5
79.05499	8.7
81.07064	11.1
83.04995	9.3
83.08614	8.5
89.06020	8.0
91.05485	7.9
93.07082	7.5
95.08595	12.3
97.06537	18.3
107.08604	9.7
119.08609	8.2
121.10143	7.8
133.10150	7.7
134.37866	6.0
135.11694	5.6
140.99181	6.0
149.13237	6.0
159.11754	5.9
205.97862	5.5
235.25571	7.1
250.75679	6.6
269.17468	13.0
285.03592	8.5
288.05707	7.2
314.07465	8.9
328.05374	24.2
355.07858	9.3
370.10184	11.2
414.12668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.3
55.44484	0.6
55.51481	0.6
57.03429	2.5
59.05009	4.8
60.26589	0.6
62.80354	0.6
66.64137	0.6
68.94861	0.6
69.03442	1.5
69.07040	0.5
69.42416	1.4
69.42822	2.9
70.06606	0.8
73.02924	30.6
73.06552	1.1
79.05491	0.6
81.03398	0.5
81.07076	0.7
83.04976	0.6
85.02898	5.1
86.09727	1.2
87.04475	3.7
89.06039	37.5
89.09470	0.6
97.06607	0.8
99.04463	100.0
99.73264	0.6
100.04866	0.6
101.06030	2.2
103.03956	8.5
113.06017	4.2
117.05503	55.5
118.05843	0.6
118.95053	0.7
123.08053	0.9
124.66323	0.6
129.05504	1.5
131.07053	5.6
133.08618	19.8
134.05798	0.6
136.07629	1.2
140.89957	0.6
143.07042	0.9
144.04169	0.7
147.04411	0.7
147.11639	0.6
152.07085	1.0
157.08580	5.0
159.06551	0.9
161.08113	8.3
164.07066	0.6
175.09642	2.9
177.11250	7.2
187.09673	1.7
195.12341	2.2
203.09122	1.2
204.01155	0.8
205.10753	3.3
219.12242	1.0
249.13368	7.5
263.14984	0.7
283.17551	10.0
293.15967	0.8
299.05499	1.2
314.94977	0.6
325.07056	0.9
337.18893	1.4
353.06439	1.3
395.22696	6.7
409.84476	0.7
413.23972	5.0
430.21146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
56.81606	0.8
57.03448	6.1
58.99016	0.7
59.05013	100.0
59.77517	0.6
61.02919	1.2
64.33023	0.6
65.89380	0.7
67.42451	0.6
68.18327	0.7
69.03442	3.9
69.73624	1.9
69.74038	1.9
70.06590	1.9
71.04991	0.9
72.08179	1.1
73.02897	1.4
77.06042	0.7
79.05513	0.9
81.03423	2.9
81.07046	1.4
83.04987	0.6
84.08152	0.8
85.02926	8.5
85.06523	0.6
86.06116	0.6
86.09716	2.2
87.04472	3.0
89.06033	2.2
91.03945	0.7
93.07042	0.9
93.73507	0.7
97.02885	2.5
97.06525	1.2
98.21650	0.7
99.04451	1.0
99.08112	1.0
100.07677	1.1
105.07032	0.9
106.02942	1.3
106.35184	0.7
107.08620	0.8
109.02911	1.3
117.09155	27.4
119.08585	0.8
121.06507	1.0
124.03990	5.3
127.03927	2.7
135.10117	2.1
136.07582	0.8
137.09573	0.7
145.04929	0.7
152.72560	0.7
163.11189	1.8
164.10570	4.4
175.13324	6.9
191.09213	0.7
193.14374	1.1
221.10110	1.0
233.15402	0.9
233.17506	1.4
251.18587	74.1
253.10992	2.5
268.08167	4.1
283.12048	2.2
316.05621	0.8
342.18332	0.7
430.08395	1.4
430.21417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71751	2.0
55.01867	3.6
55.05518	3.7
67.05496	4.2
69.03429	3.4
69.07052	4.8
71.05000	2.4
71.52044	2.3
71.52393	3.3
79.05489	8.0
80.05865	2.4
81.03422	5.3
81.07062	6.2
83.05003	2.3
85.02912	2.7
91.05489	2.9
93.07006	3.3
95.04985	3.8
95.08603	8.4
97.02859	3.0
97.06538	25.4
97.10147	3.5
98.06868	5.2
105.07051	5.6
107.08567	4.2
109.10153	3.3
111.04412	3.2
119.08595	2.2
121.10109	3.1
123.11694	3.1
127.03871	3.4
139.11142	2.7
142.96840	2.1
147.11685	4.1
151.07626	4.6
157.10152	2.5
160.81427	2.1
161.13339	1.9
163.11224	2.5
167.28528	2.0
168.00531	3.6
169.01247	2.7
177.12778	2.0
183.02879	6.9
194.12550	1.9
195.07986	2.4
196.85130	2.2
211.13397	3.0
212.13763	2.8
229.14262	4.2
243.15819	4.3
270.05228	7.2
284.03305	2.3
287.05579	2.6
298.04776	6.1
301.07022	2.5
302.04358	2.8
313.07053	30.5
313.21576	3.6
321.24268	2.5
325.06833	3.7
327.05148	4.3
331.22833	12.6
337.06982	2.7
338.14594	4.0
349.23865	13.7
356.15616	2.5
366.14191	3.3
367.11789	4.6
367.24796	17.5
384.15363	3.8
385.12836	100.0
413.12302	23.6
430.16281	3.4
430.21555	4.0
430.31937	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	430.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.4
56.87447	1.3
57.03207	1.2
57.03444	17.3
57.07085	14.7
57.07354	2.1
59.04992	3.6
61.02935	15.5
63.04499	22.8
69.03088	2.1
69.03436	32.0
70.06599	2.7
71.01350	3.3
71.04981	3.8
71.30292	2.2
73.02925	86.2
79.05478	1.2
81.03435	7.1
83.75042	1.2
85.02911	77.1
86.09711	3.6
87.04459	5.4
91.03947	2.4
97.02901	66.2
97.03526	3.4
99.04452	3.1
101.02411	1.5
103.03927	5.0
109.02896	9.0
112.29126	1.2
115.03944	31.7
116.07124	2.5
119.10706	100.0
121.10148	1.6
127.03935	25.6
131.08578	1.5
133.04028	2.6
133.04984	40.4
145.04979	35.8
147.04459	2.0
150.07661	2.6
163.06035	17.7
166.08560	1.7
169.61633	1.3
173.11705	1.6
173.13370	1.4
181.04933	1.4
193.04973	1.8
199.06036	2.2
215.12781	2.6
217.07051	2.6
223.06062	7.3
241.07083	8.0
251.14885	9.0
259.08127	12.7
277.09314	3.7
281.15863	3.6
295.10190	5.3
376.66092	1.5
430.23157	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03949	1.0
57.03451	0.5
57.18737	0.4
64.21792	0.3
65.03956	1.1
69.03434	3.7
69.27039	2.9
71.04993	0.9
72.02753	0.4
72.08209	0.3
72.53870	0.4
78.03461	5.4
80.05025	1.2
81.03429	6.8
81.07049	0.6
85.02919	2.5
90.10636	0.4
91.05492	8.7
93.07082	0.8
95.04985	1.4
96.04508	1.3
97.02924	1.8
98.20697	0.8
99.04478	1.5
100.51748	0.4
105.07032	0.6
106.02931	21.8
106.53835	0.3
107.08614	0.9
109.02895	4.5
119.04961	21.7
119.08618	1.0
121.02866	0.4
121.06525	9.6
123.04451	5.8
123.05247	0.7
123.08090	0.6
124.03973	35.9
127.03927	2.0
131.04918	0.5
147.04431	100.0
147.11726	1.0
148.04793	1.4
149.09694	0.7
151.07639	0.4
153.01978	0.4
159.40602	0.4
161.46098	0.4
165.05540	1.6
166.05031	1.4
177.05472	0.5
186.49040	0.4
196.06067	0.4
225.14883	1.4
232.06097	0.5
250.07158	7.4
251.57382	0.4
268.08194	23.4
271.06021	4.0
286.87280	0.4
305.32428	0.4
344.78842	0.4
388.13553	0.4
414.11823	5.0
432.12909	12.1
432.18930	0.6
433.11328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.7
62.80394	12.7
69.07063	22.2
69.57732	79.4
75.22557	13.7
81.07055	41.8
83.08649	13.8
84.55608	13.9
91.05475	30.8
96.46867	12.7
97.06528	17.3
98.20788	27.8
105.07067	22.6
109.10183	15.3
121.10188	18.8
133.10158	29.0
133.76938	15.1
151.11121	16.4
228.06927	14.9
275.20020	25.4
349.23523	21.3
367.24814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82230	12.9
67.05505	19.0
69.27065	12.8
69.53730	100.0
81.07050	22.4
82.40315	14.0
84.16380	14.6
93.07011	16.5
97.06525	14.7
105.06995	20.3
107.08598	14.7
132.26212	12.2
177.49739	16.1
449.60617	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	431.134
Annotation	Ononin
Peak:m/z	Relative Intensity
53.03930	0.2
55.01854	0.2
55.05498	0.3
57.03413	0.2
67.05485	0.5
68.99787	0.5
69.03406	0.6
69.07063	0.6
71.52278	0.3
72.27397	0.2
72.44165	0.2
74.27296	0.2
76.89246	0.2
79.05470	0.5
81.03402	0.3
81.07047	0.8
83.04955	0.3
83.23251	0.2
85.02901	0.4
86.09684	0.5
93.07044	0.6
95.04955	0.4
95.08595	0.7
97.06545	1.1
97.10177	0.2
105.07011	0.5
107.04916	0.8
107.08586	0.7
109.06522	0.3
109.10149	0.4
119.08571	0.3
121.10136	0.5
123.11698	0.4
131.08600	0.3
133.06450	0.2
133.10143	0.2
136.07565	0.9
137.02316	0.4
137.05965	0.4
145.10117	0.4
147.04361	0.5
147.11708	0.5
153.07019	0.3
157.06422	0.3
158.07251	0.3
161.05875	0.3
164.07100	1.2
165.06953	0.4
165.12683	0.3
168.00504	0.7
169.06454	0.2
170.07278	0.4
171.08075	0.3
173.09714	0.2
173.96730	0.2
175.14876	0.3
181.06483	1.3
182.07298	0.5
183.02881	1.6
183.08089	0.3
184.05222	0.3
185.05997	0.5
185.09679	0.3
186.01797	0.2
186.06680	0.3
195.08131	0.5
197.05933	1.6
198.06761	2.3
199.07423	1.0
201.05678	0.2
201.09102	0.7
203.17685	0.2
209.05942	1.0
210.06767	0.7
211.07582	0.2
213.09122	7.4
214.57260	0.2
217.63283	0.2
223.07669	0.4
225.05405	0.4
226.06235	4.7
227.06979	0.6
237.05515	1.1
238.06250	0.8
240.07825	0.3
240.11417	0.3
241.08534	1.2
252.07924	0.3
253.12311	0.7
254.03156	0.5
254.05760	7.4
254.08400	0.5
269.08099	100.0
270.08423	1.1
323.12888	0.4
355.08185	0.3
367.15637	0.4
399.11188	0.3
413.12119	1.4
431.13400	47.8
432.13696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.91850	0.7
51.29634	0.6
53.14967	0.6
54.06184	0.6
54.48127	0.7
55.05508	3.3
57.07082	19.0
67.05502	5.3
69.07075	4.9
69.85049	2.9
71.08638	12.6
79.05493	1.8
81.07063	8.2
83.04977	0.7
83.08616	2.2
85.10187	6.0
91.05483	3.1
93.07040	2.4
95.08614	6.7
97.10168	2.2
105.07040	1.9
107.08612	6.8
109.10161	5.7
111.04478	0.8
111.11674	1.1
119.08579	4.5
121.06503	0.9
121.10131	5.1
123.08082	0.7
123.11749	1.0
125.05979	0.7
131.08559	2.6
133.10100	2.2
135.08067	5.5
135.11650	1.8
137.05954	1.4
137.09642	9.2
139.07544	2.3
143.08574	1.0
144.09380	1.2
145.10112	2.2
147.11694	0.8
149.09630	17.5
149.10765	1.3
151.07544	1.5
158.10847	0.6
159.08006	1.1
159.11673	3.2
160.08832	0.8
161.09645	1.5
162.06738	1.4
163.07501	1.2
163.11194	21.4
165.09123	100.0
166.09433	1.1
173.09653	2.1
173.13292	2.1
175.11194	6.0
176.08321	1.6
177.09137	12.3
177.12758	2.5
179.10611	1.9
186.10376	1.5
187.11226	2.9
189.09138	1.7
189.12756	2.4
190.09946	1.6
191.10707	10.2
191.14436	0.8
201.12802	3.2
203.10704	1.9
203.14375	1.0
204.11452	1.3
205.12262	10.1
215.14397	0.9
219.13876	4.5
233.15402	2.8
234.60376	0.7
247.16997	1.7
261.18570	1.4
275.20151	1.4
287.94693	0.7
289.21558	1.6
303.23187	1.8
401.34277	2.4
411.36169	1.6
429.37302	54.4
430.38104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81012	13.9
69.28414	100.0
70.06593	12.1
86.27340	10.0
90.91391	10.5
95.08611	13.8
97.06499	19.6
98.21516	28.2
110.28186	10.9
128.25093	12.6
165.32974	11.3
169.68764	10.8
194.08748	10.7
305.11255	14.2
311.35666	11.9
327.05045	26.3
413.12277	99.4
417.13309	11.6
430.12012	15.7
431.41626	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	430.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
60.04526	0.6
61.02919	0.6
64.10081	0.4
66.57316	0.4
67.04253	0.9
69.03434	3.7
70.06583	1.3
70.52316	1.0
71.05001	0.5
72.08155	1.2
73.02899	1.1
81.03423	1.1
82.06583	24.6
84.08137	0.7
85.02907	5.5
86.06045	0.9
86.09681	0.5
87.04481	1.1
87.67226	0.4
88.03996	31.9
94.06587	1.1
97.02905	2.6
98.06064	1.9
98.20785	0.5
99.04471	2.0
100.07621	100.0
101.07983	1.1
109.02898	0.7
121.02827	0.5
121.06471	0.9
127.03924	25.9
132.44070	0.4
135.08078	2.0
136.06169	0.6
137.06009	1.0
138.09151	0.7
140.07059	0.5
142.08635	1.0
144.06567	1.9
145.04935	0.7
147.04463	0.6
158.08188	0.5
160.09660	2.7
163.03954	0.7
163.07558	5.5
181.08595	7.4
193.31364	0.5
231.13388	0.8
252.09404	0.5
255.68539	0.7
268.11813	44.5
269.12305	0.6
286.12891	1.4
304.13940	14.4
309.14505	0.8
430.17133	43.6
431.17380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05523	2.8
57.03431	1.5
61.02903	2.2
67.05519	4.7
68.05826	1.5
69.03430	3.6
69.07066	4.3
69.25816	10.8
69.26231	3.7
69.56343	1.4
79.05501	4.6
79.91156	1.5
81.03425	2.7
81.07079	7.6
83.05005	1.5
83.08649	1.6
85.02921	100.0
86.03255	21.6
86.09621	1.9
87.04476	2.4
91.05460	3.4
93.07053	4.3
95.05028	2.7
95.08649	3.0
97.02897	2.5
97.06562	9.9
97.07065	1.6
98.06840	1.9
105.07032	5.2
107.08591	2.1
109.02941	1.9
109.10186	3.0
119.08609	1.9
121.10164	2.1
127.03938	2.7
133.10146	3.9
145.10158	2.1
149.02365	29.1
151.07565	2.3
157.10143	1.8
159.11710	1.8
161.09706	1.6
164.07118	1.6
165.12961	1.8
173.09680	1.9
216.04263	3.1
217.04536	4.8
223.09734	7.0
224.75429	1.5
233.15268	3.6
244.03435	1.9
245.04132	2.5
250.10747	3.0
269.17584	3.1
297.14951	2.5
301.03003	4.4
315.08688	5.7
318.06924	6.3
328.02121	7.3
329.02606	24.5
343.04428	7.3
344.04907	31.5
345.04486	1.8
367.15424	2.3
412.14108	2.8
430.08536	6.0
430.15720	4.8
430.21164	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	430.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16343	0.6
59.80168	0.6
60.78082	0.6
66.03255	0.6
67.05515	1.3
69.07062	0.9
69.36110	5.5
70.40578	0.8
79.05519	1.1
81.07044	0.8
83.64066	0.6
83.80495	0.5
85.02909	0.7
86.90141	0.6
97.06534	4.7
119.04968	1.8
144.05664	0.6
149.02411	1.3
155.08572	2.4
159.08022	1.5
163.26970	0.7
165.07056	1.2
166.02647	0.7
168.00551	9.3
169.01360	10.2
169.06509	1.7
171.08070	2.0
183.01349	1.5
183.02914	22.9
183.08064	9.9
184.08826	2.5
185.06017	0.9
185.09659	1.6
186.01625	3.0
187.07611	0.8
190.13579	0.7
194.02148	1.7
199.07530	1.0
201.09171	1.9
209.04482	2.1
211.07559	3.1
229.08533	0.8
237.09065	0.9
241.08646	0.7
253.08572	0.8
255.13696	0.8
261.09235	0.8
270.05316	1.1
271.09497	0.9
295.05856	1.0
298.04816	0.9
306.08939	0.8
307.09680	1.0
309.07706	0.9
310.04785	2.6
313.07062	2.5
314.35513	0.7
319.06027	2.8
324.09885	1.2
325.07181	3.5
333.07385	1.3
334.08148	3.4
337.07086	12.3
339.08633	1.4
339.12305	2.4
349.10666	2.4
351.08618	4.7
352.09436	6.3
367.11804	100.0
368.11945	1.7
385.12958	5.1
413.16458	1.3
430.15842	1.1
431.17111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93550	1.3
53.03945	1.4
55.01843	1.2
55.05514	2.0
57.03437	4.8
67.05512	5.8
69.03433	3.2
69.07067	2.6
70.06589	1.5
71.52796	1.5
79.05505	3.5
80.96880	1.0
81.03429	6.2
81.07067	10.1
82.06582	5.2
83.04964	1.9
83.08635	1.2
85.02912	4.9
85.06543	2.8
91.05481	3.2
93.07047	4.4
95.04988	2.8
95.08609	3.9
97.02892	2.6
97.06547	3.9
99.00807	1.5
99.04475	1.6
102.11887	1.1
105.07033	5.0
107.08604	3.3
109.02892	3.4
109.10137	1.1
112.01559	1.8
119.08600	5.1
121.10168	3.1
123.11721	2.3
125.06001	1.1
127.00283	2.9
127.03910	5.1
128.07077	2.2
133.06467	1.2
133.10144	1.8
135.11748	1.1
137.06024	1.5
141.06981	2.2
145.04900	1.2
147.04408	1.2
147.11691	8.3
151.07518	3.1
153.07014	3.5
157.06514	1.0
160.05237	1.3
163.11194	3.8
165.12802	4.0
167.07109	1.4
168.00551	22.9
169.01355	3.2
169.06569	1.4
173.05959	5.8
174.06752	1.0
181.06512	2.0
183.02902	63.1
186.01643	10.8
187.03801	1.2
189.05464	1.6
195.02878	2.8
199.07599	1.8
200.04826	2.5
201.05547	1.2
211.07610	2.1
213.05515	5.3
215.07011	6.5
227.07085	2.5
228.07828	18.1
229.08565	2.4
255.06516	15.0
265.04987	1.6
267.06418	2.5
267.15897	4.0
279.06442	1.2
285.17020	1.9
293.04352	2.7
294.05258	1.6
295.06003	3.9
297.04019	5.0
297.07425	1.9
309.07693	1.8
311.05533	11.6
312.06235	4.6
321.03967	5.4
321.07587	2.1
322.08337	5.8
327.08630	6.5
333.07874	1.4
335.05563	1.8
337.10773	2.5
339.05042	10.4
340.05823	30.3
349.03372	5.1
349.07391	1.6
350.07788	1.8
354.07437	6.2
355.08127	24.2
355.12323	1.7
361.07224	1.4
363.05008	2.9
365.10068	2.6
367.04504	4.5
377.06625	3.0
378.07339	7.1
383.11328	3.1
393.09689	7.2
394.09946	1.3
396.08481	7.0
411.10754	100.0
412.10883	2.1
429.16159	1.9
429.20901	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	429.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.5
58.67192	0.3
67.05518	1.5
69.03434	1.1
70.42286	1.0
85.02922	1.4
91.05472	0.3
94.06572	6.0
95.04956	0.3
97.02878	0.8
98.97619	0.6
100.03990	1.4
106.06569	2.1
110.97600	0.3
118.04996	0.7
121.02853	0.5
121.06456	0.5
122.06049	4.7
127.03885	0.5
129.14322	0.3
136.06200	0.6
143.01952	0.4
147.04440	0.6
150.05515	100.0
151.05885	0.7
158.99675	0.5
161.02911	0.4
168.06599	1.1
171.46996	0.3
199.16469	0.3
203.03952	0.3
219.01672	0.5
258.05887	0.4
267.09784	23.5
297.90485	0.3
300.09525	0.5
429.13528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
55.01871	6.2
55.05516	2.0
57.03435	4.0
59.04988	1.9
61.02919	2.7
66.94759	0.9
67.05487	1.5
68.99787	2.7
69.03433	22.3
69.07075	1.4
69.47629	5.8
71.01364	1.1
71.04998	4.0
72.23814	0.9
73.02927	4.9
79.05478	3.6
81.03424	19.3
81.07050	5.8
83.04962	3.4
85.02910	43.8
87.00836	15.6
87.04436	1.3
91.03950	0.9
91.05496	5.2
93.07047	10.6
95.04974	20.4
95.08588	1.1
97.02898	15.2
97.06523	1.6
99.04469	8.9
103.03945	2.4
105.01868	11.6
105.07032	8.5
107.04968	1.3
107.08612	10.5
109.02891	21.6
109.06515	1.9
115.03967	1.3
117.01871	3.0
117.06998	3.2
119.08577	6.4
121.06520	4.3
121.10157	10.4
123.04417	0.9
123.08073	0.8
125.05991	1.7
127.03928	36.9
129.01820	3.1
130.07791	2.2
133.06519	1.0
133.10129	1.3
135.08035	2.1
135.11714	5.9
137.05951	0.9
143.08575	1.7
145.04977	14.0
145.10121	14.2
147.02890	2.9
147.08070	2.8
149.06004	0.9
149.09590	0.8
159.02905	14.1
159.08047	1.2
161.09593	1.0
163.11194	100.0
164.11618	0.9
165.09117	3.1
167.07056	4.2
175.07587	0.9
175.11208	2.7
177.03993	1.1
177.12799	1.1
181.12302	4.5
183.10132	1.0
189.03996	2.5
201.12679	0.8
205.12248	4.7
213.03920	1.7
219.13811	0.9
221.11797	1.0
223.13249	8.5
231.05008	8.8
237.14890	1.3
249.06158	1.0
251.18486	1.0
271.13248	1.7
289.14291	1.1
337.09375	0.9
357.66422	0.8
375.14371	1.0
393.15393	4.0
411.20447	7.0
429.17343	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05507	1.1
57.03437	5.5
59.05014	0.9
61.02925	2.7
69.03439	9.5
69.24244	8.1
70.06599	3.6
71.01352	1.6
71.04990	1.7
72.08143	1.6
73.02925	12.6
79.05495	2.0
81.03417	1.6
81.07060	7.3
82.06566	1.1
83.08617	1.2
84.04530	1.1
84.08137	1.2
85.02914	20.1
85.27917	0.8
86.09705	1.1
87.04481	3.4
88.03996	2.5
91.05469	2.1
93.07039	1.8
97.02900	12.2
98.21551	1.6
99.04456	1.9
99.08104	100.0
103.03956	1.6
109.02879	2.8
111.04404	1.0
115.03939	7.8
117.09138	18.3
121.06527	8.4
122.05999	1.0
124.07597	1.0
127.03939	7.6
130.05093	1.3
133.04991	9.0
136.06209	1.3
136.07590	14.1
137.05998	2.3
138.09143	1.9
140.07057	1.2
140.83075	0.9
144.06577	1.0
144.37262	0.9
145.04974	6.7
146.08034	1.0
147.04398	1.1
150.07715	4.7
151.08084	1.4
163.06036	1.9
164.07086	17.6
208.07997	0.9
209.21506	1.0
225.07030	3.5
238.10651	2.2
244.89886	1.0
259.08240	2.4
267.13431	3.3
277.09027	1.0
295.10156	2.1
296.11716	1.4
342.13531	1.4
428.11935	3.9
428.19717	2.7
436.94711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54948	20.1
67.05483	35.5
69.07066	27.1
70.07431	22.3
71.51948	28.2
81.07038	35.6
84.43355	24.9
88.70193	22.4
89.29208	21.8
91.05404	25.2
95.08636	31.6
105.07005	23.2
107.08557	26.8
107.30477	21.2
112.07609	43.7
253.14384	28.0
291.19501	61.3
297.03943	28.4
309.96234	22.9
365.23218	97.6
383.11307	68.4
428.24155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	21.6
62.34558	22.1
67.05496	27.3
68.28259	14.6
69.58728	100.0
70.06601	30.4
81.07056	46.8
86.35470	15.6
91.05492	23.4
93.07063	24.9
95.08618	27.7
104.95573	15.8
109.10142	30.6
116.07095	38.4
123.08102	21.2
135.11748	17.3
162.76549	19.1
253.14597	41.0
428.29581	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	428.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66761	23.2
67.05515	37.8
71.52489	35.9
75.21210	21.3
91.05463	46.1
93.07065	23.1
93.29765	23.7
105.07023	40.0
107.08600	52.6
109.10194	29.5
133.10146	58.9
151.11246	39.8
169.49641	24.7
253.14412	100.0
259.89264	27.2
271.15463	61.3
271.79706	26.8
291.19608	34.5
365.23212	62.1
405.62991	27.3
429.11325	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	429.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00897	0.3
53.00314	2.0
53.03946	0.6
55.01872	0.5
55.05499	1.0
57.03421	0.6
65.16605	0.3
65.54980	0.3
67.05519	2.4
69.03440	1.7
69.07067	1.2
69.68436	1.9
71.05000	0.3
73.02930	0.5
79.05494	1.8
81.03427	1.3
81.07075	2.1
83.04981	0.8
83.08655	0.4
85.02912	100.0
86.03290	0.4
86.09696	0.7
87.00823	0.4
91.05496	1.2
92.05030	0.4
93.07034	1.6
95.04974	1.2
95.08608	1.6
97.02909	0.7
97.06540	3.9
99.04452	0.5
105.07063	1.5
107.08613	1.4
109.02882	1.0
109.06506	0.5
109.10155	0.9
115.01336	0.3
119.08598	0.8
121.10156	1.0
123.08132	0.4
123.11740	0.6
127.03951	1.1
131.08565	0.4
133.10149	0.8
134.03664	1.2
137.05956	0.4
143.08653	0.4
145.10139	0.9
147.11732	1.3
151.07547	2.6
158.27570	0.3
159.11720	0.4
160.05254	0.7
161.05956	0.3
161.09505	0.4
163.11194	2.1
165.12711	0.4
169.10162	0.3
175.07556	0.3
177.05531	0.4
177.09196	0.4
183.02997	0.6
183.08070	0.4
188.04712	0.5
190.02660	0.3
191.10681	0.5
199.07526	0.5
211.07436	0.4
215.03595	0.6
215.07054	0.3
216.02199	0.2
216.04176	7.2
225.09071	0.3
227.07094	0.4
230.02126	0.5
239.07162	0.5
241.08615	0.7
243.03027	0.7
244.03728	4.2
269.08133	0.5
272.03314	0.6
295.13458	0.5
297.07858	0.4
300.02615	3.2
302.04309	0.9
317.06592	8.6
317.10120	0.5
328.02155	28.2
329.02606	0.4
339.16122	1.0
343.04507	32.6
344.04956	0.4
365.14090	1.2
383.14951	0.5
388.48938	0.3
393.13617	0.5
411.14679	0.7
429.08270	6.2
429.15469	2.6
429.21005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.394
Annotation	Camelliol C
Peak:m/z	Relative Intensity
55.05515	19.3
57.07068	8.6
63.41626	2.6
65.03926	3.2
67.05511	34.8
69.06734	4.2
69.07074	56.0
69.29919	4.1
69.30315	21.0
71.08640	2.8
71.93804	3.0
79.05491	18.9
81.06599	5.0
81.07066	90.9
83.08624	18.2
86.78194	2.9
91.05471	9.0
93.07054	35.3
95.08614	100.0
97.06518	3.8
97.10164	9.8
98.20741	3.0
105.07051	15.9
107.08614	38.5
109.10167	70.0
111.11742	24.7
119.08566	13.0
121.10162	35.3
123.11717	43.0
125.13338	3.2
133.10123	11.8
135.11688	32.4
137.13284	19.2
145.10110	5.4
147.11670	12.8
149.13275	28.6
157.66962	2.7
159.11682	4.6
161.13283	11.1
163.14793	12.3
165.16379	3.0
173.13197	3.1
175.14786	11.0
177.16449	10.6
179.17896	4.4
189.16400	8.1
191.17941	8.9
195.17453	4.7
201.16396	3.2
203.17934	9.6
217.19492	9.4
229.19435	4.3
231.21112	6.1
245.22647	3.3
245.59990	3.1
248.62451	2.9
273.25653	3.2
287.27393	3.9
327.30466	3.5
329.50806	3.0
345.31219	3.0
409.38403	19.7
427.39426	63.5
452.00616	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46420	0.1
55.05499	0.3
57.03442	0.2
57.04554	0.2
62.58884	0.1
69.03418	0.3
69.07066	0.2
71.07661	0.4
73.08720	0.1
75.17203	0.1
81.07050	0.2
85.02904	0.4
94.04069	1.2
97.02908	0.2
97.10185	0.3
98.09703	0.7
111.04508	0.2
112.05112	0.2
115.11247	0.4
119.03540	0.2
123.06677	0.9
127.03902	0.2
133.04999	0.4
135.05438	0.3
138.09062	0.2
150.07762	100.0
151.08122	0.5
164.10713	0.6
176.05719	0.2
177.05560	0.2
179.03455	0.2
244.09782	0.2
265.15250	0.2
282.12079	0.9
295.11530	25.1
296.11911	0.3
304.11850	0.3
331.12860	0.5
391.14767	0.2
402.61636	0.2
409.15942	0.2
427.19928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03930	2.0
55.05504	7.4
57.03427	2.2
57.07082	4.6
67.05513	10.8
69.03422	8.4
69.07072	11.1
71.52105	4.4
79.05502	9.3
81.07060	20.9
83.08626	6.7
85.06525	2.0
86.68467	2.0
89.54777	1.8
91.05489	6.6
93.07049	18.2
95.08606	35.5
97.06529	3.7
97.10152	4.5
105.07043	14.0
107.08601	27.8
109.06523	3.2
109.10165	23.4
111.08096	8.1
119.08584	18.4
121.06505	11.1
121.10157	27.7
123.08098	6.4
123.11696	12.0
131.08513	3.8
133.10147	19.6
135.08061	35.7
135.11713	25.5
137.09648	8.1
137.13277	2.4
145.10114	10.8
147.11655	11.1
149.13255	9.6
159.11670	10.1
161.09784	2.7
161.13274	10.4
162.44026	2.0
163.11215	13.5
163.14877	6.8
171.11743	3.3
173.13306	4.8
175.14911	6.4
177.12709	2.5
177.16411	3.3
185.13342	2.6
187.14838	9.6
189.12747	3.1
189.16425	6.9
191.17973	19.1
201.16428	9.7
203.14452	2.9
203.17931	10.8
205.15883	11.8
205.19531	3.0
217.19589	2.6
219.17461	15.7
229.19559	2.3
247.20636	2.2
301.14105	2.8
316.64191	2.2
335.07468	2.1
391.33578	3.1
409.34799	25.7
427.19748	2.7
427.24536	6.5
427.35934	100.0
428.36050	3.2
441.56931	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.2
57.07063	14.9
67.05507	26.7
69.07069	39.9
69.15170	12.7
69.15576	68.2
79.05486	15.2
79.65559	7.2
81.07061	62.3
83.08630	18.7
91.05504	13.5
93.07047	54.8
95.08613	88.7
97.10188	8.6
98.20706	17.0
105.07056	32.2
107.08605	95.1
109.10169	83.4
111.08094	9.5
119.08589	49.9
121.10152	100.0
123.11712	45.4
133.10107	38.7
135.11697	47.8
137.13269	18.9
146.17807	8.2
147.11693	51.4
149.13292	35.0
153.09137	33.6
161.13268	38.5
163.14766	13.9
165.09116	14.1
167.10628	16.3
175.14876	17.1
177.16443	20.1
189.16409	15.0
191.17958	87.0
201.16501	7.5
203.17981	52.1
205.16013	7.4
205.19565	21.1
217.19545	51.0
218.94865	7.1
219.21072	9.3
220.87766	7.0
231.21161	11.8
235.16945	9.0
367.33752	10.4
409.34418	13.2
411.57043	8.4
427.35764	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
50.39286	1.8
50.90215	1.3
55.05511	15.7
57.07072	4.9
60.06073	1.3
60.31003	1.3
67.05508	29.1
69.07074	34.7
69.52069	9.7
71.05004	8.7
71.08619	1.5
74.19725	1.6
79.05493	8.2
81.07059	43.4
83.08627	16.3
85.06549	68.7
88.06989	1.3
91.05486	7.4
92.88882	1.5
93.07049	25.6
95.08614	91.7
96.66331	1.3
97.06532	4.6
97.10159	9.0
99.08086	3.8
102.39909	1.3
105.07026	11.7
107.08595	38.9
109.06549	1.3
109.10165	100.0
111.08095	4.2
111.11729	11.0
113.09649	6.9
116.27156	1.5
119.08591	13.7
121.10151	36.0
123.11727	27.4
129.12787	1.9
131.08585	1.6
133.10133	13.9
135.11710	28.9
137.13261	16.1
139.11188	3.4
145.10115	2.0
147.11700	10.4
149.13264	21.4
149.14381	2.2
151.14838	4.7
153.12775	4.4
159.11710	3.0
161.13252	9.7
163.14868	12.2
165.12833	2.8
165.16422	1.7
167.14302	2.3
173.13348	1.9
175.14821	6.2
177.16429	8.7
179.17958	2.0
181.15915	2.2
189.16423	5.3
191.17957	15.6
193.19475	1.5
198.37535	1.5
203.17960	11.0
205.19533	31.6
209.19052	6.0
217.19569	15.0
219.21065	6.3
221.18985	10.9
229.19588	1.6
231.21172	8.2
235.20595	5.1
245.22595	7.0
249.22177	2.1
259.24274	2.6
263.23676	1.9
273.25702	2.7
285.25803	1.5
289.25314	2.4
299.27417	4.9
313.28897	7.6
317.28439	1.7
357.31549	2.9
409.38327	3.1
427.39401	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3784
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.53533	2.7
55.05523	19.5
56.29337	2.9
57.07083	6.3
59.52265	2.9
65.03967	3.4
67.05519	28.9
69.03412	3.9
69.07083	27.8
70.85044	8.9
79.05494	14.8
81.03450	5.0
81.07073	62.3
83.05009	5.2
83.08625	16.1
91.05520	16.3
93.07073	38.9
95.04976	4.5
95.08628	100.0
97.06520	5.3
97.10199	9.4
102.31566	3.1
105.07048	30.2
107.08606	58.0
109.10174	68.4
111.08121	3.2
111.11748	4.4
117.03405	10.9
119.08608	45.5
121.10164	57.4
123.08107	5.8
123.11726	36.6
131.08594	11.5
133.10168	33.6
135.11719	40.7
137.06059	3.3
137.13289	24.1
139.11195	4.5
145.02895	32.6
145.10146	12.1
147.11708	22.5
149.05957	4.8
149.13293	32.4
151.07556	7.6
151.14836	3.5
157.10124	6.6
159.11691	12.2
161.13306	20.8
163.14867	18.4
165.09149	13.8
173.13268	10.7
175.14824	16.3
175.55316	3.2
176.26952	3.2
177.05504	41.9
177.16437	23.7
187.14905	8.3
189.16444	18.8
191.18025	23.4
195.06808	3.2
201.16408	13.0
203.18016	30.1
205.19550	20.5
207.17383	5.0
207.57457	3.1
215.17987	14.0
217.19580	21.6
219.21182	3.9
221.19064	3.9
227.17999	4.6
229.19595	15.5
231.21077	4.5
233.19128	5.8
245.22745	7.0
247.20638	4.5
257.22647	9.1
271.24142	4.1
275.23795	4.1
283.24194	3.8
287.23755	4.0
297.25803	4.7
353.32123	4.4
389.26788	3.7
407.36777	20.8
421.95770	3.6
425.08563	3.6
425.25644	7.9
425.37961	78.2
427.35742	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03947	3.0
55.05512	12.5
56.15065	1.1
57.03422	1.5
57.07077	8.8
65.03930	2.3
67.05507	25.8
69.07076	25.6
70.63602	1.5
70.63941	3.0
71.08617	2.9
73.02953	1.2
79.05492	13.5
81.07063	60.5
83.08624	13.3
85.06548	1.7
89.06049	1.8
91.05470	11.0
93.06481	2.5
93.07047	31.2
93.12958	1.2
95.04987	2.8
95.08615	100.0
97.06522	2.4
97.10167	9.1
98.99921	1.2
99.08107	1.2
105.07042	23.8
107.08601	61.3
109.06525	1.1
109.10165	67.6
109.99142	1.2
110.10455	1.5
111.08089	2.3
111.11739	3.3
113.09607	1.8
114.19260	1.1
117.07067	3.2
119.08591	40.0
121.10151	49.5
123.08118	1.8
123.11713	36.0
125.09613	2.3
125.13242	1.2
131.08583	7.2
133.10143	30.6
135.11700	40.2
137.13261	31.4
139.11124	2.6
143.08575	2.3
144.09274	1.3
145.02846	4.7
145.10135	11.8
147.11687	23.8
149.13274	35.7
151.11209	1.4
151.14864	3.2
153.01840	3.2
153.12776	1.6
157.10162	3.2
158.10832	1.4
159.11702	14.0
161.13243	27.4
163.11172	2.1
163.14824	17.2
165.12801	1.1
171.11635	4.2
173.13235	9.0
175.14838	19.8
177.05466	6.5
177.12791	2.7
177.16400	27.7
179.14342	4.7
179.17981	2.6
187.14876	10.6
189.16405	21.3
189.18115	1.5
191.17955	26.4
199.14868	1.6
201.16377	13.5
203.17973	27.6
205.15820	1.8
205.19525	22.6
207.17439	7.5
213.16444	3.5
215.17970	16.0
217.19518	30.5
219.17499	4.7
219.21233	6.3
221.18993	3.8
227.17914	2.4
229.19548	16.5
231.21098	5.4
233.19106	7.1
235.20624	2.7
241.19513	1.9
243.21112	3.8
245.22664	4.5
247.20554	6.5
255.21086	3.7
257.22656	10.1
259.20706	1.3
259.24155	1.6
261.22092	1.8
269.22601	5.8
271.24323	2.9
273.22098	2.1
275.23795	5.6
283.24298	1.8
287.23688	4.3
297.25745	1.5
301.25140	2.1
311.27380	1.5
313.29166	2.8
315.27039	2.0
353.32016	4.4
367.33441	1.4
407.36816	28.4
421.02078	1.3
425.16058	2.6
425.37817	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.63992	1.9
55.05513	21.1
56.19651	2.3
57.07078	9.6
59.05003	2.6
67.05513	29.0
69.03383	2.2
69.07075	49.0
70.11063	7.8
71.05007	6.1
71.08639	3.4
75.92612	2.0
79.05497	20.9
81.07066	100.0
83.08621	15.9
85.06573	3.3
89.06062	3.5
91.05485	15.9
93.07054	51.5
95.08619	81.2
97.06583	4.3
97.10175	8.6
99.08107	3.8
105.07034	35.4
107.08608	68.5
109.06579	2.9
109.10171	68.8
110.10466	2.6
111.08109	2.6
111.11732	4.1
117.07021	2.8
119.08595	41.0
119.09367	3.3
121.10158	58.4
123.11721	36.6
125.09657	4.2
125.13300	2.4
127.11224	10.1
127.56477	2.6
131.08646	8.2
133.10146	28.3
135.08090	4.2
135.11703	43.7
137.13264	22.0
139.11217	4.0
143.08640	2.5
145.10168	16.2
147.11710	37.7
149.13284	33.1
151.14842	3.6
157.10236	3.1
159.11694	23.5
161.13306	22.4
163.11273	3.5
163.14854	17.2
171.11795	4.6
173.13266	14.6
175.14853	20.1
177.12979	2.1
177.16438	18.7
185.13266	5.3
187.14885	13.4
189.16420	15.0
191.17978	10.5
193.15915	2.9
195.17522	3.7
198.92166	2.1
199.14957	3.9
201.16469	12.0
203.17973	15.6
205.19806	2.2
207.17464	3.2
213.16516	4.1
215.18086	9.4
216.27843	2.3
217.19563	15.5
227.18103	4.4
229.19514	11.3
231.21033	11.3
233.19136	2.9
243.21153	3.4
247.20738	2.8
255.21335	2.3
257.22855	6.4
259.24265	5.2
269.22800	3.0
271.24435	6.1
283.24252	3.8
285.25851	6.9
289.25375	3.2
339.30646	5.5
343.30005	3.2
367.30109	3.0
407.36856	16.2
425.38040	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	6.3
57.07076	3.4
59.67493	1.6
65.03937	2.4
67.05511	20.1
69.07075	24.4
69.98898	7.4
72.08652	1.6
78.92953	1.5
79.05495	5.1
80.04871	1.7
81.07066	36.3
83.08620	7.5
91.05485	5.2
93.07048	22.2
95.08612	71.9
97.06548	2.0
97.10162	5.9
98.20700	2.5
105.07037	16.5
107.08597	40.1
109.10162	56.4
111.08097	3.6
111.11703	6.2
117.07060	1.7
119.08575	26.7
121.10143	30.6
123.11704	23.6
129.53711	2.1
131.08618	4.5
133.10139	20.4
135.11684	28.8
137.13278	14.8
145.10136	6.3
147.11707	18.8
149.13287	14.8
151.14853	3.6
157.10188	2.0
159.11708	8.3
161.13258	16.7
163.14804	14.8
173.13255	5.7
175.14809	13.5
177.16327	8.4
179.14400	2.9
185.13283	2.5
187.14828	6.7
189.16414	19.1
191.14340	1.7
191.17992	20.4
201.16431	5.1
203.06117	1.6
203.17944	13.1
205.19562	14.7
207.17462	6.8
215.17982	10.4
217.19531	11.1
219.17506	2.1
219.21068	2.5
227.17882	2.0
229.19530	5.5
231.21075	5.4
233.19032	5.3
234.85359	1.7
243.21138	6.4
245.22693	17.1
247.20573	10.2
255.21230	1.8
257.22684	4.9
259.24420	1.8
261.22058	1.9
269.22574	3.0
271.24167	4.6
283.24283	2.4
285.25952	3.2
287.23740	2.3
289.25388	2.5
407.36697	27.8
425.37787	100.0
426.38269	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	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	18.0
57.07064	9.9
67.05515	41.7
68.50418	3.0
69.07077	62.5
71.04974	5.8
71.44084	6.4
79.05489	22.9
81.07064	100.0
83.04965	12.6
83.08631	20.8
85.06511	3.7
89.06016	6.3
91.05473	15.1
93.07054	58.9
95.08611	85.2
97.06526	4.7
97.10163	12.3
99.05629	2.9
101.91183	3.2
105.07030	42.1
107.08607	73.4
109.06480	5.5
109.10159	76.2
111.11707	6.6
117.06984	5.4
119.08601	39.8
121.10157	66.1
123.11707	41.3
125.09638	11.4
131.08585	13.8
133.10133	40.6
135.11708	40.7
137.13266	12.1
143.08585	7.6
145.10173	22.2
147.11684	52.2
149.13258	31.6
151.11192	5.1
151.14732	3.6
157.10117	5.4
158.10889	4.3
159.11694	26.2
161.13255	26.5
162.04744	3.6
163.14844	22.9
171.11617	6.0
173.13271	16.9
175.14888	17.1
177.16426	16.4
185.13268	7.0
187.14856	9.6
189.16437	17.4
191.18010	7.4
199.14876	4.8
201.16338	14.6
203.17953	21.0
205.19652	4.6
207.17458	7.7
213.16389	4.7
215.17955	10.3
217.19536	9.6
227.17981	3.8
229.19553	10.6
231.21144	6.6
241.19498	5.6
243.21130	7.0
257.22546	4.1
269.22617	5.8
283.24176	4.3
305.75372	3.1
325.28815	18.4
343.29990	10.0
351.30600	6.9
369.31750	4.8
403.95258	3.1
407.37244	24.7
425.32498	5.3
425.38254	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05516	21.5
57.07072	8.8
58.91372	2.2
59.70597	2.1
65.03952	2.4
67.05511	39.4
69.07073	46.9
69.57226	13.1
71.04993	4.5
71.08642	3.4
72.32330	2.5
79.05494	21.7
81.07064	100.0
83.04996	2.6
83.08624	20.3
85.06564	5.5
91.05482	14.8
92.27483	2.4
93.07054	55.6
93.07648	3.7
95.04994	3.0
95.08613	98.6
96.08945	2.5
97.06535	3.1
97.10182	9.2
105.07040	43.1
107.08609	65.9
109.06477	2.6
109.10169	84.7
111.08092	3.6
111.11728	6.0
117.07018	3.4
118.43612	2.0
119.08589	47.3
121.10151	49.2
123.08101	4.0
123.11720	37.1
125.09623	4.0
127.11239	4.4
131.08592	9.0
133.10135	28.2
135.11703	40.7
137.13271	20.3
139.11182	4.1
143.08539	5.6
143.53532	2.2
145.10141	18.3
147.11700	27.8
149.13281	35.5
151.11182	2.2
151.14922	3.8
157.10161	6.1
159.11714	18.4
161.13234	24.2
163.14848	21.9
165.16452	2.6
167.07098	8.4
171.11754	4.9
173.13251	14.3
175.14824	19.6
177.16370	16.4
179.17992	2.3
181.45964	2.4
185.13260	4.9
187.14810	12.8
189.16438	17.5
191.17973	14.3
193.16005	4.2
199.14977	3.4
201.16455	7.3
203.17963	21.3
205.19617	4.6
213.16475	3.7
215.17957	12.3
217.19446	15.3
227.18059	5.9
229.19534	10.0
231.21133	8.0
241.19745	4.2
243.21182	5.4
255.21024	2.9
257.22751	7.1
259.24387	3.7
269.22678	3.6
271.24216	5.2
283.24255	2.9
285.25870	4.3
297.25671	2.4
325.28989	5.3
343.30005	4.5
369.31339	3.6
407.36969	22.0
425.32294	5.6
425.37854	94.2
426.38208	3.4
448.22055	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70279	1.4
53.03946	2.1
55.05513	7.8
57.07080	8.6
65.03912	1.5
67.05510	20.9
69.07072	15.2
69.93150	6.3
71.08614	2.1
79.05497	8.8
81.07057	70.1
83.08613	6.3
89.06023	3.0
91.05495	8.8
93.07049	16.3
95.08609	100.0
97.10163	2.7
105.07036	17.1
107.08607	20.2
109.06496	1.9
109.10151	33.7
109.10849	2.6
111.08080	2.2
117.06995	2.8
119.08575	10.8
121.10159	14.1
123.11698	16.8
128.94196	1.2
129.06993	1.4
131.08545	5.5
133.08614	1.6
133.10149	11.2
135.11690	11.7
137.13257	56.2
143.08540	2.0
145.10149	8.8
147.11670	10.4
149.13266	14.4
151.14844	4.1
157.10130	3.5
159.11714	5.9
159.98123	1.5
161.13213	8.9
163.14824	5.4
170.37035	1.4
171.11644	2.5
173.13292	2.7
175.14877	3.8
177.16399	6.7
179.17986	1.6
185.13286	3.3
187.14769	6.7
189.16426	5.8
191.17958	4.8
193.19513	1.9
199.14908	2.1
201.16443	7.2
203.18024	3.3
203.73468	1.4
205.15887	1.3
205.19524	2.8
213.16423	4.7
215.17978	4.2
217.19499	5.5
227.17990	3.7
229.19501	4.4
231.17474	2.2
233.19022	1.9
239.14853	1.9
243.21243	1.2
243.26050	1.4
244.50932	1.3
245.22853	1.4
255.21120	3.1
257.22723	6.7
269.22629	4.2
273.22058	1.8
283.24078	2.2
372.01352	1.3
407.37152	7.2
425.32788	6.6
425.37781	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	14.4
57.07063	8.3
67.05506	26.2
67.32996	2.4
69.06728	2.5
69.07074	23.2
69.99765	2.1
70.96319	4.0
73.08541	1.8
79.05496	14.3
81.06593	3.8
81.07062	64.3
83.08626	11.8
86.16951	2.0
91.05492	10.3
93.07049	28.7
95.08614	100.0
97.10178	4.9
105.07042	18.3
107.08602	54.3
109.10164	62.9
111.11723	3.4
119.08584	30.8
121.10150	50.6
123.08067	1.9
123.11711	33.9
124.72356	1.9
125.09666	2.1
131.08585	7.3
133.10138	25.2
135.11714	30.1
137.12325	3.0
137.13281	26.4
145.10152	9.3
147.11678	24.1
149.12071	2.3
149.13266	37.6
151.14859	3.5
159.11722	13.5
161.13272	22.9
163.14833	19.0
171.11684	2.7
173.13286	8.8
175.14844	17.7
177.16399	27.9
179.17970	2.5
187.14760	10.8
189.16394	18.4
189.22379	2.1
191.17952	22.5
201.16360	14.9
203.17973	26.2
205.19545	22.1
215.17929	10.8
217.19533	19.8
219.17435	3.8
219.21024	3.1
221.19032	4.5
229.19467	13.9
231.21054	7.4
233.19048	5.8
243.21088	5.4
245.22765	4.8
247.20605	5.8
255.21170	4.5
257.22693	10.1
269.22720	5.4
275.23737	6.2
283.24274	3.1
286.56479	2.0
287.23804	4.5
313.28973	2.4
353.31952	3.8
407.36807	20.8
425.37817	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	26.6
57.07071	11.9
59.04991	5.0
67.05511	39.9
69.07072	70.3
69.37692	29.5
71.04977	5.1
71.08632	7.2
79.05494	28.3
81.07063	90.4
83.08627	22.9
85.06555	10.0
89.06016	6.2
91.05487	21.6
93.07060	63.9
95.08614	100.0
97.10172	9.5
105.07034	38.0
105.93922	3.6
107.08601	83.7
109.10166	89.1
111.11717	30.8
112.34645	4.5
119.08598	39.9
121.10147	60.3
123.11736	39.0
124.36028	3.9
125.09625	4.7
127.11219	4.5
131.08556	12.3
133.08644	4.5
133.10153	38.5
135.11725	53.6
137.09612	8.7
137.13275	16.7
139.11258	7.1
145.10149	18.9
147.11694	35.8
149.13281	34.0
151.11159	3.7
151.14842	6.5
159.11728	21.2
161.13272	24.6
163.14836	21.7
165.12775	6.2
171.11725	4.5
173.13297	15.7
175.14812	24.7
177.16415	27.2
185.13210	4.4
187.14876	9.1
189.16415	16.2
191.17979	16.6
193.69231	3.8
195.17505	25.6
198.41457	3.5
199.14934	4.2
201.16383	7.6
203.17941	17.4
205.19675	6.3
213.16447	4.5
215.17955	15.1
217.19510	11.4
227.17941	6.0
229.19440	5.6
231.21188	9.5
239.14861	5.4
240.15128	4.3
257.22647	9.0
259.24289	5.2
271.24210	6.9
283.24255	9.4
297.25803	7.6
325.28781	4.9
332.01779	3.7
343.29785	4.5
351.30487	4.3
407.32285	3.9
407.36917	27.2
425.38190	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.73799	1.4
52.18140	1.3
53.03951	3.6
55.05516	17.1
57.07084	6.3
59.04994	1.6
59.25689	1.5
64.97654	1.5
67.05148	1.3
67.05509	40.4
69.07072	59.7
71.01707	1.5
71.02032	1.7
71.05016	2.0
71.08638	3.1
75.37405	1.3
76.62308	1.7
77.03939	1.7
79.05503	19.6
81.07064	100.0
83.04995	2.3
83.08633	16.2
85.06564	3.4
89.06029	2.9
91.05490	16.8
93.07051	41.8
95.04991	3.3
95.08615	98.9
97.06541	3.7
97.10166	9.9
103.05460	1.7
105.07035	33.8
107.08601	51.9
107.09298	2.8
109.06568	3.7
109.10168	75.5
111.08102	4.5
111.11737	21.7
117.07039	4.3
119.08589	38.3
121.10156	48.1
121.11034	1.9
123.08111	3.1
123.11720	29.8
125.09649	3.6
127.11250	1.6
129.07056	2.2
131.08574	10.0
133.10144	28.8
135.11697	38.8
135.12704	2.3
137.09657	3.4
137.13277	16.3
139.11234	2.5
143.08650	2.0
145.10121	13.2
147.11694	28.0
149.13260	32.5
149.14334	1.9
151.11249	6.7
151.14861	4.0
157.10202	6.6
159.11720	16.8
161.13266	17.0
163.14821	17.9
165.12823	2.0
165.16362	2.0
167.14369	1.7
171.11775	4.1
173.13301	12.9
175.14859	16.7
177.13028	1.6
177.16403	19.8
185.13391	4.0
187.14833	11.4
189.16399	13.7
191.17897	10.5
193.15918	2.9
195.17436	10.4
199.14954	4.4
201.16385	7.7
203.17996	12.7
205.19641	4.7
207.17578	1.7
213.16452	6.2
215.18027	10.0
217.19510	9.5
227.18062	5.3
229.19551	7.1
231.21236	6.1
233.19104	5.6
241.19702	1.8
243.21246	4.7
247.20847	1.8
255.21198	3.2
257.22763	6.0
259.24399	5.5
261.22253	1.7
269.22772	3.3
271.24368	5.1
275.23874	1.8
283.24335	5.3
285.25916	2.2
287.23798	1.4
297.25946	2.9
301.25510	2.2
325.29037	5.4
343.30078	4.0
351.30441	2.5
357.00183	1.5
369.31622	2.4
407.36804	23.4
425.38025	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05518	12.9
57.07070	4.4
67.05507	29.0
69.07079	23.8
70.10276	7.1
79.05505	16.8
81.07066	46.9
83.08625	15.6
84.20673	1.9
89.58192	2.3
91.05479	13.6
92.29340	2.1
93.07046	36.4
95.04989	2.6
95.08618	100.0
97.10167	6.2
105.07043	32.2
107.08607	59.0
109.10170	87.9
111.08106	4.2
111.11732	5.5
117.07015	3.5
119.08595	45.4
121.09327	4.4
121.10153	53.1
123.08063	2.1
123.11720	32.5
124.99220	2.0
131.08563	7.5
133.10136	45.1
135.11702	45.0
137.13286	17.5
145.10118	16.1
147.11713	32.9
149.13266	26.0
151.14819	3.1
157.10146	4.0
159.11693	13.0
161.13280	36.0
163.14830	24.6
165.12773	3.7
173.13249	12.1
175.14861	24.7
177.16388	24.6
179.14378	11.4
179.17952	4.6
187.14882	11.8
189.16422	31.6
191.17993	24.2
201.16411	11.8
203.17981	37.7
205.19519	19.4
207.17451	26.3
215.18024	13.4
217.19576	31.0
219.21193	4.2
221.19052	2.5
227.17938	4.3
229.19531	13.9
231.21149	6.7
233.19176	4.8
241.19588	2.3
243.21114	8.3
245.22708	12.9
247.20778	5.6
257.22653	14.2
259.24222	2.3
269.22562	4.0
271.24277	6.5
273.25668	2.1
285.25546	2.4
297.25797	5.6
301.25174	2.2
315.26743	4.3
365.32056	3.0
407.36771	41.2
425.37857	95.1
426.38220	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03946	2.7
55.05519	15.2
57.07074	7.6
62.33468	2.0
67.05512	33.3
69.03423	3.3
69.07075	32.0
71.52196	2.4
79.05499	17.1
81.07056	58.4
83.05001	3.0
83.08620	14.1
85.06527	3.3
87.91129	2.3
89.03915	5.1
91.05474	17.2
93.07044	44.6
95.04980	4.2
95.08611	100.0
96.55161	2.1
97.06545	3.7
97.10131	11.6
103.05509	2.3
105.07037	34.1
107.08601	70.6
109.02887	3.0
109.06515	3.3
109.10165	82.0
111.08089	4.2
111.11744	5.2
117.03394	18.3
117.07044	3.3
119.07755	1.8
119.08588	47.1
121.10149	55.3
123.08084	6.4
123.11703	29.6
129.01845	2.5
129.07091	3.0
131.08559	7.0
132.00581	2.2
133.10144	47.5
135.08070	2.3
135.11699	43.6
137.13254	18.3
143.08603	3.5
145.02849	40.8
145.10161	15.2
147.11696	36.0
149.05998	5.3
149.13261	29.5
151.07524	3.1
151.11290	2.8
151.14812	3.1
157.10150	5.4
159.11702	14.7
161.13275	37.2
163.11224	2.8
163.14824	26.8
165.09102	3.8
171.11745	2.7
173.13213	10.4
175.14861	16.0
177.05482	64.3
177.16432	22.0
179.14359	8.7
187.14825	14.5
189.16394	35.4
191.17972	26.3
201.16490	11.0
203.17978	29.5
205.15793	2.3
205.19553	17.3
207.17482	15.6
215.17970	14.7
217.19527	30.5
219.21065	3.5
221.19072	3.4
229.19423	11.3
231.21155	7.6
233.18933	5.5
241.19562	2.5
242.98640	2.0
243.20992	11.5
245.22675	11.2
247.20680	2.9
255.21234	3.0
257.22632	15.3
259.20609	3.6
261.07593	5.5
261.22220	2.7
269.22537	3.8
271.24332	6.0
285.25757	3.8
297.25961	2.9
307.24390	2.7
364.05911	4.5
407.36749	29.0
425.11206	3.9
425.25528	5.3
425.37827	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.24850	2.0
55.05517	15.1
56.41010	1.9
57.07072	3.9
67.05511	24.4
69.07070	26.1
69.74601	1.8
69.96634	7.7
79.05495	12.0
81.07063	44.8
83.08629	11.3
91.05484	13.8
93.07052	27.9
95.08617	84.4
97.06532	2.4
97.10184	5.6
98.20808	2.6
105.07044	28.8
107.08605	55.6
109.10164	74.6
111.08093	3.3
111.11719	5.5
119.08591	46.6
119.09378	4.2
121.10161	46.5
123.11729	31.5
131.08557	6.3
132.77530	2.1
133.10139	42.3
135.11705	47.4
137.13277	10.3
145.02876	3.1
145.10120	12.3
147.11684	31.6
149.13242	24.2
159.11728	12.6
161.13263	30.9
163.14848	21.4
173.13295	8.6
175.14818	23.1
177.05545	5.0
177.16370	18.8
179.14258	5.5
179.17867	2.3
185.13332	3.9
187.14864	9.1
189.16423	32.4
191.17975	18.9
201.16399	10.9
203.17966	35.4
205.19516	10.8
207.17477	19.6
213.16348	2.6
215.17850	9.9
217.19547	27.8
219.17418	2.8
219.21016	3.2
221.19096	2.7
229.19582	9.7
231.21135	5.7
241.19658	2.0
243.21111	6.2
245.22641	8.5
247.20735	2.2
255.20758	3.3
257.22650	8.0
261.22040	2.9
269.22562	3.1
271.24255	6.2
283.24112	2.9
297.25781	4.3
315.26984	2.5
365.32068	3.8
407.36728	28.9
425.37814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	15.4
57.03437	2.0
57.07071	4.3
61.60587	1.6
67.05517	23.5
69.07072	25.3
69.75311	5.4
69.75715	3.0
73.45247	1.7
79.05498	11.2
81.07064	47.7
83.08617	16.0
85.06546	2.3
91.05497	15.3
93.06492	3.7
93.07049	36.5
95.08617	100.0
97.10159	6.3
98.21465	3.4
105.07040	33.0
107.07877	3.7
107.08601	68.5
109.10165	77.8
111.11719	7.1
113.09679	1.7
117.07034	2.7
118.23822	1.6
119.08589	49.4
121.10153	56.6
123.11716	31.5
125.13232	2.2
127.11211	2.2
131.08603	8.2
133.10143	44.5
135.11697	47.0
137.13268	11.9
145.10147	12.4
147.11696	33.1
149.13277	25.9
151.11224	2.5
151.14850	2.4
157.10153	2.4
159.11720	17.3
161.13268	38.9
163.14853	31.0
165.12753	1.9
173.13307	13.2
175.14833	28.3
177.16411	26.4
179.14362	8.5
179.17928	4.1
185.13341	2.2
187.14854	13.7
189.16397	39.5
191.17960	17.1
193.15875	3.1
201.16350	15.6
203.17986	26.1
205.15776	2.9
205.19536	19.3
207.17480	30.8
213.16489	2.2
215.18007	17.2
217.19543	31.1
219.21021	3.9
221.18915	3.2
227.17926	3.3
229.19536	15.4
231.21109	11.6
233.18994	5.8
241.19438	2.7
243.21129	11.9
245.22586	10.0
247.20392	3.0
255.21115	3.9
257.22714	12.4
259.24277	2.1
261.21884	2.4
269.15427	1.8
269.22675	3.1
270.64774	1.9
271.24112	8.5
285.25760	2.6
287.23740	3.5
297.25583	10.1
315.26810	4.6
337.28943	2.3
363.15857	1.8
365.32111	3.8
407.36728	45.0
425.37778	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	2.3
55.05510	14.8
57.07072	3.3
67.05515	30.3
69.07079	20.0
69.76103	6.6
69.92354	1.5
73.97022	1.5
79.05515	13.5
81.07069	52.8
83.08627	13.3
91.05485	11.7
93.07053	35.2
95.08617	100.0
95.20719	1.4
97.06516	2.0
97.10191	10.6
104.06182	1.5
105.07043	33.8
107.08605	63.5
109.06548	2.4
109.10168	90.4
111.08124	2.2
111.11720	5.3
113.09653	2.1
117.07032	4.6
119.08592	52.1
121.10159	59.0
122.10541	1.5
123.08116	1.5
123.11716	29.8
125.09665	2.0
131.08592	6.7
133.10147	47.7
133.11113	3.3
135.08083	2.5
135.11707	45.3
137.13260	13.7
138.71715	1.7
139.11208	1.9
143.08571	3.3
145.10152	14.4
147.11711	29.2
149.13271	26.4
151.11203	1.9
151.14902	4.1
157.10196	2.0
159.11688	16.3
161.13272	35.9
163.14832	23.8
171.11841	2.0
173.13312	11.1
175.14854	22.6
177.05484	3.0
177.16397	24.9
179.14349	8.7
179.18019	5.8
185.13231	2.0
187.14801	10.3
189.16408	32.2
191.17953	22.0
193.15782	1.7
199.14934	2.2
201.16423	12.6
203.17986	33.7
205.15991	3.0
205.19537	12.1
207.17482	20.7
213.16470	3.3
215.17967	9.8
217.19557	29.6
219.21126	3.6
227.18080	2.2
229.19557	12.4
231.21075	7.5
233.19008	5.1
241.19383	3.3
243.21138	6.8
245.22720	9.9
247.20581	3.7
255.21097	3.7
257.22702	10.8
269.22687	3.8
271.24286	6.4
285.25821	3.4
289.25235	1.6
297.25922	5.4
310.30075	1.7
314.80914	2.1
315.26974	2.8
332.46582	1.5
337.28891	2.1
353.32098	2.4
356.30106	1.5
365.32260	4.0
407.36768	34.7
425.37869	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78930	0.3
54.91534	0.3
56.96331	0.3
56.96566	8.3
56.96848	0.6
59.50097	0.3
61.36965	0.4
70.85903	0.7
71.95268	0.4
84.96027	4.7
98.97591	43.6
110.96845	0.8
110.97580	13.3
112.99147	2.0
116.98637	6.8
124.99115	4.0
126.97066	1.0
128.98616	5.6
131.00188	0.9
134.99702	0.5
137.94923	0.4
140.98592	5.1
143.00179	7.8
143.01932	0.9
144.98074	1.9
145.03479	0.5
146.99664	1.0
148.29828	0.4
152.97348	0.6
152.98602	11.3
155.00159	0.9
155.01819	0.6
157.01744	0.5
158.99672	6.8
161.01233	2.1
161.02937	0.5
167.00198	0.5
167.02008	0.4
170.99675	8.9
173.01218	0.6
177.00726	1.6
182.99721	0.8
185.02905	0.4
189.00693	2.4
197.02856	0.4
201.00728	6.2
203.02328	0.5
213.00726	0.7
213.19994	0.4
219.01784	24.4
223.26006	0.4
233.03340	17.9
237.02850	13.7
245.05113	1.8
251.04413	76.1
252.04771	0.7
263.06207	0.5
269.05472	11.2
269.27954	0.4
274.06097	0.8
279.07474	0.5
307.07001	0.8
309.38013	0.3
317.05603	0.6
335.06476	0.7
347.06454	1.3
365.07578	100.0
366.07950	1.9
383.08630	20.5
406.10303	1.0
425.09711	13.9
425.15295	0.8
425.22125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.4
69.86172	5.4
75.79707	0.9
80.33034	1.0
81.03406	1.0
82.06579	1.4
82.99872	3.9
83.67634	1.0
83.90096	0.8
85.02937	1.0
94.07521	0.9
97.02901	1.2
98.20827	1.2
98.97583	5.0
100.07608	2.3
101.00891	16.6
109.02874	1.2
110.97597	1.9
113.00876	4.5
119.01931	16.1
121.01700	1.0
127.02415	3.5
129.00377	1.4
131.01894	5.8
135.09328	0.9
139.02368	1.1
139.85526	0.9
143.01906	36.7
145.03477	6.1
146.08109	1.7
152.98624	1.7
155.01891	14.7
157.03508	5.2
159.03191	1.7
161.02969	37.0
161.41728	0.9
163.04616	1.2
167.01918	12.9
169.03467	4.1
171.05031	1.5
173.02980	17.6
179.01942	4.9
181.56503	1.2
185.01357	1.8
185.02974	28.3
187.04533	4.3
187.06160	1.1
191.02168	1.1
191.04016	3.8
197.02924	9.9
203.04021	13.0
215.03996	4.7
217.05490	1.1
219.01807	2.6
221.05125	2.1
227.04039	8.9
233.03275	2.5
237.02718	1.5
245.05095	100.0
246.05258	2.3
251.04419	8.0
257.05118	5.2
263.06177	21.6
269.05539	1.8
275.06140	13.6
279.07318	1.1
293.07306	2.5
305.07236	9.3
307.08960	1.5
317.07181	1.0
335.08273	2.9
341.03726	1.0
365.08481	11.4
383.08871	3.4
425.11227	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	425.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02990	1.8
55.05505	4.4
57.07079	100.0
58.23380	1.8
59.05006	26.5
67.05514	4.7
69.07065	8.4
69.20239	6.8
69.20667	11.4
71.08634	88.8
73.02918	2.4
73.06577	2.5
75.13786	2.0
79.05498	3.9
81.07068	10.3
83.08626	5.4
85.10184	77.6
87.04469	6.0
89.06028	6.1
90.01922	12.2
91.05455	2.6
93.07044	6.0
94.78386	2.1
95.08619	16.9
97.10194	3.9
98.21560	4.5
99.11755	10.5
105.07037	5.2
107.08575	10.3
109.10164	16.0
111.11717	2.4
113.13255	3.4
117.09116	5.9
117.10167	1.7
119.08571	6.0
121.10155	11.7
123.11694	3.3
131.08553	2.9
133.10141	8.6
135.11707	6.1
141.16403	2.6
145.10172	4.0
147.11635	4.4
149.13309	5.5
155.17944	5.4
159.11656	3.5
161.13269	5.7
162.54289	1.8
163.14821	2.7
173.21205	1.9
175.14879	3.0
177.16414	2.9
191.17902	3.8
196.08211	4.4
199.20604	6.8
203.17966	5.1
213.16437	2.5
213.22112	4.5
217.19611	2.6
239.15039	2.6
243.17210	2.3
254.12442	2.3
257.24768	4.5
294.06369	2.0
425.33932	8.3
425.38565	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	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	14.0
59.05004	2.1
61.58174	1.5
67.05495	7.6
69.03428	6.7
69.07062	7.1
69.51254	11.2
70.06599	3.8
71.04985	6.2
72.08144	2.5
72.14779	1.5
73.02908	2.4
75.73475	1.7
79.05498	2.9
81.03413	2.4
81.07049	9.8
82.05315	2.5
82.06598	1.4
83.04996	8.7
83.08626	12.6
83.23733	1.7
84.08122	1.6
85.02909	16.3
85.06541	8.2
86.09726	1.8
91.05489	4.3
93.07054	16.9
95.04980	50.8
95.08624	9.4
97.02882	7.8
97.06522	5.1
98.97590	2.0
99.04463	8.2
101.02435	1.9
105.07034	5.1
107.04949	2.1
107.08598	20.3
109.02847	1.8
109.06516	7.1
109.10171	10.6
111.08083	5.5
112.02222	2.3
113.06013	9.7
115.07585	3.1
115.37534	1.5
119.08557	4.7
119.43764	1.6
121.10158	56.9
122.03481	1.7
123.04379	2.3
123.08099	2.9
123.11696	3.1
125.05856	2.1
125.09650	4.0
126.06615	4.6
127.03942	2.2
130.03232	2.9
131.05013	1.8
131.08525	4.0
133.10143	11.5
135.08080	2.7
135.11679	4.5
139.11180	26.1
145.04974	2.9
145.10156	1.8
146.08154	2.5
147.04420	2.6
149.13263	4.6
150.16519	1.8
151.11206	15.3
153.09108	11.5
163.14842	12.1
167.14326	13.4
168.04016	3.4
173.13268	9.4
191.14328	20.2
209.15384	100.0
227.16463	3.0
262.14044	1.6
278.11267	1.6
364.06116	2.8
379.08401	2.1
424.18643	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	424.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05515	14.7
57.07096	1.8
59.04992	2.5
63.88716	1.8
67.05510	5.8
69.03427	6.4
69.07079	5.1
69.75189	6.8
70.06599	6.6
71.04996	5.3
71.20374	2.1
73.02921	2.9
79.05511	4.7
80.76494	2.0
80.80433	1.7
81.03417	3.0
81.07067	12.5
82.05347	1.9
83.04993	12.4
83.08630	12.1
84.08170	2.9
85.02919	14.4
85.06564	2.2
86.09719	4.7
87.04479	4.1
91.05486	5.0
93.07052	11.3
95.04994	21.6
95.08601	9.5
97.02910	5.1
97.06539	6.4
97.10149	1.9
98.20735	2.0
98.97596	2.2
99.04468	5.6
99.08120	2.5
104.07103	4.0
105.07052	8.2
107.08609	17.4
109.06548	14.3
109.10170	15.2
111.08089	3.5
115.07604	3.5
119.04947	2.7
119.08588	7.0
120.08137	2.5
121.10153	21.9
122.05992	2.7
123.04456	6.6
123.08086	5.1
123.11729	6.4
125.05908	2.0
125.09645	6.8
127.03930	4.7
129.06990	1.9
131.08594	7.2
133.10147	23.7
135.08073	5.2
135.11691	5.9
137.06006	3.2
137.09651	3.6
139.11183	2.6
141.09097	4.2
145.05049	2.7
145.10175	3.7
147.11702	7.2
149.13297	7.9
151.11205	17.5
153.09122	8.4
155.07063	2.2
158.06035	6.4
163.14883	4.8
165.12837	2.6
166.06143	1.7
167.14334	19.7
173.13286	17.1
175.07326	1.8
176.07143	2.6
177.05536	2.8
183.06567	3.4
191.14337	20.9
209.15395	100.0
216.77054	1.8
227.10779	2.2
227.12888	3.3
227.16472	13.9
244.10043	2.2
247.07764	2.2
262.10895	2.6
263.06973	2.3
277.05151	1.9
323.05801	2.5
336.06421	1.9
353.10083	3.9
364.05807	11.4
379.08130	5.1
381.09827	2.4
397.09192	6.1
406.14978	2.1
407.07693	3.1
424.16077	6.1
425.08835	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	425.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
67.05497	1.0
67.78825	0.5
69.03417	1.7
69.07085	0.9
70.06577	1.5
71.04979	0.9
71.51819	0.6
71.77251	0.5
72.96954	0.7
74.87270	0.7
81.03401	0.7
81.07035	1.2
81.09409	0.5
82.05294	0.8
83.04964	0.8
85.02889	1.5
91.05459	0.8
95.08567	2.0
97.02898	0.7
105.07018	0.7
108.75602	0.5
109.02867	0.9
114.84707	0.5
117.06955	0.6
123.04391	0.9
123.08117	0.7
124.07625	0.9
127.03876	0.8
137.05920	0.8
145.02884	1.5
145.07585	0.8
147.04407	1.1
147.09259	0.6
155.07031	0.8
163.43971	0.7
165.05475	2.7
165.06827	1.1
167.07066	0.9
169.35614	0.6
171.04486	0.6
173.05968	0.9
175.03932	0.7
176.06174	1.0
177.05469	2.1
177.06863	0.7
178.05641	0.6
178.07793	1.7
179.03409	0.7
179.08424	1.0
181.05022	3.5
181.06419	1.0
182.65152	0.7
189.06929	3.2
190.07709	1.9
191.08482	1.4
193.04855	0.8
194.07263	1.3
195.08069	1.5
197.06009	1.0
201.07010	0.7
202.07787	1.6
203.08472	1.1
205.06537	1.7
206.07301	0.9
207.06445	1.9
207.08119	0.9
209.04469	5.6
209.06223	0.9
211.07574	0.8
213.12276	1.0
217.06471	1.6
218.07349	3.0
219.08046	8.1
220.05144	0.8
221.06081	3.7
222.06700	1.3
223.07526	2.3
224.05028	0.7
225.05544	0.8
229.06506	1.9
231.08055	2.8
232.05183	0.9
233.05968	2.6
234.06749	9.0
235.07545	5.0
236.04677	1.0
236.08267	1.9
237.03236	1.0
237.05490	11.6
237.09160	1.1
238.06238	1.0
239.07092	1.8
245.06131	1.5
246.06718	2.6
247.07571	12.1
248.04750	1.1
248.08278	1.2
249.05501	4.5
249.09247	0.7
250.06290	9.0
251.07033	3.3
252.07784	1.7
253.04922	1.7
257.05927	1.3
260.04706	0.7
261.05450	3.3
262.06290	15.8
263.07074	14.5
264.07764	6.6
265.04953	9.7
265.08133	4.0
266.05829	2.0
267.02899	0.8
267.06503	3.0
268.07455	0.6
271.06018	2.5
272.04703	1.3
273.05405	2.1
274.06213	2.4
275.07031	4.8
276.04178	3.2
276.07806	2.0
277.04929	4.9
277.08572	3.4
278.05753	15.2
279.06549	17.8
279.09579	1.3
280.07257	3.1
281.04449	1.3
282.05161	2.4
289.05042	4.0
289.08105	1.0
290.05743	10.2
291.06512	10.3
292.07269	12.1
293.04440	7.6
293.08063	11.8
294.05109	3.4
295.06046	7.0
295.09155	1.1
296.06924	3.8
297.07440	1.9
299.05396	0.8
302.05643	2.1
303.06189	3.8
304.03687	2.6
304.07123	1.2
305.04419	4.0
305.08124	2.5
306.05276	6.4
307.06052	12.2
307.09448	1.4
308.06772	13.8
309.07471	2.6
310.08310	4.5
314.07751	4.0
315.06604	0.7
317.04559	1.0
318.05234	8.0
319.06058	8.2
320.06784	11.6
321.03882	16.4
321.07587	13.9
322.04660	2.5
322.08340	1.7
323.05603	15.5
323.09152	2.8
324.06216	3.2
325.07050	8.9
325.10660	1.4
333.04022	1.4
333.07602	1.9
334.04642	1.3
335.05463	4.0
335.09149	5.5
336.06268	18.0
337.07120	5.4
338.07843	14.4
339.05011	1.4
339.08658	3.6
340.05783	2.4
346.04767	2.5
347.05634	1.9
348.06299	3.2
349.03607	4.2
349.07028	4.3
350.07904	1.4
351.04883	1.9
351.08679	15.6
352.05713	0.9
352.09430	1.0
353.06689	1.5
353.10220	26.6
353.14584	1.5
355.08252	1.5
363.04401	1.1
363.08630	15.7
364.05780	100.0
365.06348	6.2
366.07336	4.9
368.05359	10.0
379.08163	60.8
380.08594	2.1
381.05743	1.2
381.09851	9.3
382.06720	3.0
383.07663	3.4
389.06476	0.8
392.05069	0.7
397.09207	68.7
398.09430	1.7
407.07507	11.3
425.08682	61.0
425.17142	3.4
426.08978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03956	2.1
55.05515	12.5
56.88062	1.7
57.07077	8.5
59.05005	1.6
67.05515	19.0
69.07076	25.0
69.69486	11.2
71.08656	2.8
76.85395	1.6
79.05496	12.0
81.07069	50.8
82.07384	3.0
83.05002	2.4
83.08630	13.1
85.06550	3.0
91.05482	14.9
93.07052	32.2
95.04987	2.3
95.08619	79.1
95.61711	1.8
97.06534	3.5
97.10194	10.3
97.97765	1.6
98.20853	3.2
105.07041	29.2
107.08603	48.2
109.06516	3.9
109.10163	46.4
109.10928	1.8
111.08085	3.7
111.11722	2.9
117.07013	5.0
119.08591	39.0
119.09375	3.2
120.08968	2.1
121.10152	39.1
123.08041	3.1
123.11722	24.7
125.09637	4.6
129.07022	3.9
131.08589	12.3
133.10144	36.9
135.08063	2.5
135.11711	32.5
137.09631	2.6
137.13283	21.8
139.11172	3.3
143.01965	2.0
143.08572	6.2
145.10152	24.1
147.11719	27.3
148.12076	3.9
149.13275	21.6
151.11232	2.3
151.14830	2.9
157.10175	11.6
159.11710	25.5
161.13298	18.1
163.11198	2.9
163.14806	8.3
166.13132	2.0
169.10156	3.8
171.11635	9.3
173.13286	15.9
175.14842	12.9
177.16447	15.8
183.11685	3.1
185.13257	7.9
187.14876	13.8
189.16415	16.6
191.17979	40.7
197.13286	2.6
199.14856	6.9
201.16394	20.6
203.14578	2.2
203.17982	21.2
205.16043	2.0
205.19588	7.5
207.17427	3.0
211.14912	4.0
211.75409	2.0
213.16428	5.9
215.17979	15.1
217.15997	4.0
217.19591	11.1
219.17470	11.2
225.16428	2.2
226.15176	3.4
227.18008	4.6
229.19588	5.3
231.17336	3.2
231.21066	2.4
233.19025	7.0
239.17799	1.9
241.19478	4.8
243.15924	2.5
243.21121	4.8
244.16290	4.4
245.19041	7.2
253.19533	5.3
255.21146	4.8
257.18835	1.8
257.22665	2.6
267.21136	4.1
269.22729	5.1
271.20740	4.5
273.22278	3.8
281.22723	2.9
283.24222	2.7
285.22131	4.7
299.23755	4.1
300.24304	1.7
337.29004	2.3
339.27005	2.1
395.36475	2.3
405.35199	34.1
406.36017	2.4
423.07227	2.3
423.23740	12.9
423.36255	100.0
434.87158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.3
55.57848	1.5
57.07064	7.1
58.76340	1.7
65.03916	2.6
67.05514	28.0
69.06742	1.9
69.07082	22.8
69.81471	8.6
74.13496	1.8
79.05509	15.4
81.07063	68.8
83.04967	3.1
83.08617	12.2
85.02892	1.7
91.05488	20.5
93.07050	36.6
95.04967	3.1
95.08617	100.0
96.08916	1.6
97.06522	4.9
97.10183	9.9
105.07037	54.1
107.08603	57.7
109.06474	2.2
109.10165	53.9
111.08074	4.2
114.85986	1.5
117.07029	7.0
119.08589	50.7
121.10151	47.1
123.11727	21.7
125.09642	7.0
128.50011	1.7
129.06998	3.5
131.08571	25.6
133.10136	37.7
135.11713	27.0
137.09636	3.2
137.13263	23.0
143.08571	5.2
144.09354	2.7
145.10132	30.5
146.10789	1.5
147.11681	28.6
149.13304	17.4
151.11153	3.5
151.14847	2.1
156.09358	2.1
157.10194	8.7
158.10904	2.2
159.11703	39.1
161.13272	24.8
163.14830	8.1
165.12801	1.7
167.07091	1.8
169.10211	3.5
171.11714	7.9
173.13277	20.4
175.14851	26.0
177.12769	3.4
177.16431	15.0
179.14285	2.9
179.17990	1.8
183.11681	2.4
185.13306	6.2
187.14850	15.2
189.16409	23.4
191.14368	3.2
191.17964	39.2
193.15945	6.1
197.13226	2.2
199.14859	6.8
201.16380	17.8
203.14389	2.3
203.18005	18.5
205.15919	18.1
205.19493	8.1
211.14809	2.6
212.89841	1.4
213.16368	7.7
215.17970	31.6
215.19913	2.1
217.15938	4.7
217.19574	11.2
219.17485	8.4
225.16499	2.2
226.17152	2.3
227.17972	7.3
229.19539	5.3
231.17459	5.7
231.21100	5.5
233.19026	25.5
233.21240	2.4
234.47205	1.7
241.19656	3.3
243.17419	2.8
243.21216	5.0
245.19002	9.0
253.19463	1.9
255.21161	6.0
257.19028	2.4
257.22678	3.3
259.20605	2.5
267.21048	2.3
269.22668	6.6
271.20633	4.7
273.22177	11.9
281.22604	1.8
283.24127	4.9
285.22214	5.8
287.23724	3.4
299.23642	4.0
334.34891	1.7
339.26733	2.0
381.31293	1.8
397.87213	1.6
405.35168	7.2
423.36243	85.0
424.36337	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13683	2.8
55.05522	16.8
57.05219	2.5
57.07071	11.6
59.05008	5.9
67.05511	43.5
69.07084	22.3
70.06590	11.2
70.40497	5.3
70.40858	5.9
71.05015	4.5
71.06927	4.2
71.08620	2.4
79.05506	17.7
81.07066	68.5
83.04976	6.7
83.08630	11.9
85.06554	3.6
88.07652	13.5
89.07967	5.3
91.05466	18.1
93.07053	36.0
95.04958	5.2
95.08615	97.4
97.10191	8.1
102.09161	8.8
105.07037	32.5
107.07887	4.2
107.08598	58.0
109.06519	4.0
109.10168	61.7
111.08086	8.2
117.07005	6.1
119.08598	32.3
121.04925	2.5
121.09339	3.4
121.10159	49.1
123.08083	6.6
123.11720	29.4
125.09663	6.5
129.06976	3.5
131.08575	11.9
133.10141	61.8
135.08032	3.1
135.11700	31.6
137.09622	4.0
137.13269	26.2
143.08519	4.7
145.10127	25.9
147.11684	22.2
149.02365	46.3
149.03510	5.9
149.09738	3.8
149.13292	27.7
150.02678	22.8
151.07515	3.3
151.11176	3.6
157.10143	9.0
159.11723	33.0
160.48608	3.0
161.13290	15.1
163.14864	7.6
171.11745	9.0
173.11981	3.3
173.13292	18.9
175.14827	10.4
177.12787	3.4
177.16411	4.7
179.14233	3.2
183.11670	3.2
185.13277	7.9
187.14880	14.3
189.16411	14.6
191.14359	3.4
191.17964	37.2
193.04999	43.1
194.05336	35.8
197.13293	6.5
199.14857	16.4
201.16481	16.7
203.17943	6.3
209.13295	3.0
213.16437	3.8
215.14600	2.5
215.17976	30.5
217.19586	4.1
219.17429	7.5
227.18074	4.0
229.19591	3.1
231.21164	4.6
233.18996	20.0
255.21001	3.1
256.26468	13.0
257.22598	5.6
257.26697	23.9
267.21024	3.2
269.08145	3.3
269.22769	2.7
270.08936	4.1
271.20911	4.7
273.22104	6.9
285.22092	15.8
299.23633	3.6
337.28967	2.9
371.79749	2.7
405.35248	15.5
423.29330	100.0
423.36209	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05523	3.9
57.03426	2.1
57.07076	2.4
67.05519	6.4
69.03438	1.1
69.07083	7.0
69.28297	0.6
70.58270	1.0
71.04991	1.0
71.08639	2.1
79.05508	4.2
81.07072	9.3
83.04997	1.3
83.08623	3.1
85.97575	0.6
91.05493	2.3
93.07066	5.5
93.19169	0.6
95.04943	0.8
95.08621	9.3
97.06529	2.4
97.10172	1.2
99.08147	0.9
105.07057	3.5
105.27682	0.6
107.08624	4.8
109.06541	8.7
109.10159	4.8
119.08603	4.9
121.10171	3.9
122.07314	0.8
123.03568	0.6
123.08092	37.2
123.11711	1.6
131.08566	1.5
133.10126	3.2
135.08069	6.5
135.11690	2.2
137.09647	1.9
137.13306	0.9
144.27769	0.7
145.10130	2.1
147.11697	2.6
149.09660	2.4
149.13266	2.7
159.11725	1.7
161.13191	1.3
165.12805	1.1
173.13313	1.6
175.14868	0.8
177.12788	2.4
179.14349	30.2
191.14412	0.8
193.15944	0.9
205.15945	0.9
247.20741	0.8
263.20096	1.3
275.20062	2.9
277.00912	0.7
293.21176	2.8
303.26944	2.9
331.26370	24.8
335.89572	0.6
349.27377	6.4
356.83145	0.5
367.24799	1.5
405.29974	1.2
423.31137	100.0
424.31454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01870	1.3
55.05318	0.5
55.05518	6.7
57.03425	2.0
57.07080	2.9
59.04989	0.8
67.05510	8.9
67.11099	0.6
69.03432	0.7
69.07073	10.3
71.04998	1.7
72.08160	0.9
79.05495	5.9
81.07062	15.6
83.04971	1.1
83.08644	5.5
85.06582	1.2
91.05494	3.5
93.07050	9.3
95.04994	1.0
95.08617	14.1
97.06535	2.2
97.10187	1.0
99.08158	0.7
105.07047	6.2
107.08607	11.6
109.06525	8.7
109.10155	8.1
111.08076	2.2
117.06921	0.6
119.08593	8.6
119.09391	1.0
121.06538	0.7
121.10157	8.4
123.08074	48.3
123.11720	3.2
131.08578	2.8
133.10153	6.6
135.08081	6.8
135.11714	3.6
137.09671	3.6
137.13293	1.3
139.67172	0.6
143.08516	0.8
145.10139	3.3
147.11717	5.0
149.09648	2.8
149.13290	3.5
151.11142	0.9
151.14809	0.8
157.10153	1.7
159.11702	4.1
161.09708	0.7
161.13292	2.9
163.11191	0.6
165.12802	0.9
167.14330	0.9
169.02628	0.8
173.13298	1.5
175.11212	0.9
175.14827	2.3
177.12759	4.3
177.16339	0.8
179.14337	17.3
180.27393	0.6
185.13283	0.9
187.14845	1.4
189.16330	1.2
191.14392	0.8
201.16467	1.0
203.18031	1.3
205.15918	1.3
215.17912	1.5
229.68344	0.6
233.18907	1.4
235.20537	0.7
239.08331	0.6
247.20624	1.0
263.20056	2.2
269.22516	0.7
275.19952	3.8
289.25293	1.3
293.21158	3.2
303.26849	3.5
311.25739	0.7
313.25284	1.1
331.26352	26.5
332.26636	0.8
349.27463	5.8
367.24820	2.7
405.30161	1.4
405.35266	0.9
423.31110	100.0
423.35944	5.3
424.31464	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	glochidone
Peak:m/z	Relative Intensity
50.35346	0.7
53.03946	1.9
55.05511	11.4
56.93116	0.6
57.03432	0.6
57.07079	4.9
61.37381	0.7
65.03933	0.7
67.05504	18.8
69.07069	19.8
70.84671	1.2
71.05000	1.0
71.08629	1.2
77.03904	0.6
79.05490	15.1
81.07059	58.1
83.04984	2.4
83.08624	7.9
91.05476	14.4
93.07048	33.7
95.04966	1.9
95.08610	89.4
96.08920	0.7
97.06538	4.1
97.10161	5.4
99.08100	0.8
105.04594	0.9
105.07032	41.2
107.08596	50.2
109.06563	1.7
109.10160	42.8
111.08099	2.8
111.11707	1.6
115.05492	0.8
117.07030	6.6
119.08582	43.5
121.10143	36.3
123.08045	1.2
123.11706	20.7
125.09611	2.3
126.63352	0.7
129.07011	2.4
130.07797	1.5
131.08565	16.4
133.10136	29.3
135.11694	22.5
137.09618	1.4
137.13255	22.8
139.11188	0.8
142.07791	1.1
143.08582	5.8
144.09326	1.6
145.10124	28.5
146.10828	1.1
147.11693	25.6
149.09669	0.7
149.13258	18.6
149.14383	1.1
151.11174	0.9
151.14795	3.5
155.08649	1.1
156.09341	0.9
157.10123	8.7
158.10936	1.8
159.11691	30.9
160.12427	1.8
161.13254	25.6
163.11136	0.9
163.14835	7.7
165.12752	1.2
165.16460	0.7
169.10136	2.5
171.11668	7.2
172.12595	1.2
173.13269	16.8
175.14842	19.4
177.12798	2.4
177.16380	22.5
179.14334	4.1
179.17943	1.1
183.11717	3.2
185.13252	8.3
186.13916	1.1
187.14833	13.2
189.12769	1.1
189.16391	17.0
191.14348	2.8
191.17950	26.2
193.15875	5.0
197.13205	1.8
198.14040	1.3
199.14830	6.3
200.15486	1.5
201.16382	14.6
203.14371	2.6
203.17961	18.2
205.15901	16.6
205.19510	7.1
207.17445	2.6
211.14819	3.5
213.16403	5.6
214.17178	0.7
215.17958	23.5
217.15976	4.6
217.19489	9.8
219.17429	6.4
219.20915	1.1
221.19052	1.4
225.16559	1.9
226.17114	3.2
227.17953	7.3
227.83740	0.7
229.15866	1.0
229.19502	7.8
231.17500	5.1
231.21001	6.0
233.19012	21.1
239.18025	1.8
241.19496	3.3
243.17509	2.8
243.21106	5.8
245.19025	13.6
245.22661	3.2
247.20610	1.5
253.19553	1.9
255.21089	4.7
257.18954	2.2
257.22684	2.2
259.20636	3.7
267.21014	1.1
269.22675	8.2
271.20602	3.9
271.24042	0.6
273.22156	13.6
281.22693	1.4
283.24240	5.2
285.22177	6.7
287.23871	0.8
295.24265	1.0
297.25601	1.5
299.23792	4.1
311.27087	0.8
313.25323	1.3
325.25137	1.0
327.26608	0.7
337.05975	0.7
339.26642	1.3
353.28458	1.4
365.31958	1.6
367.30267	0.9
381.31418	1.1
405.35217	7.2
423.36218	100.0
424.36557	2.4
449.35806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34763	0.7
53.03932	0.9
54.24319	0.7
55.01858	0.6
55.05516	5.8
57.03430	1.3
57.07068	2.2
67.05514	11.2
69.07076	8.6
69.22299	1.2
69.22707	5.2
71.05000	1.1
71.08633	2.3
79.05491	5.2
80.50420	0.6
81.03454	0.6
81.07069	12.3
83.04977	1.1
83.08646	3.6
84.17799	0.6
85.06538	2.1
91.05486	3.8
93.07058	7.6
95.04979	1.3
95.08070	1.0
95.08619	12.1
97.06549	1.7
97.10182	0.8
99.08081	0.8
105.07037	6.4
107.08609	9.6
109.06528	9.6
109.10169	6.6
111.08102	2.4
111.91566	0.6
117.07012	1.2
119.05926	0.5
119.08576	7.2
121.10163	6.6
122.07346	0.7
123.08082	38.7
123.11691	2.0
125.09610	0.7
131.08592	2.2
133.10126	4.6
135.08078	7.8
135.11713	3.3
137.09618	2.4
137.13249	1.3
138.45290	0.7
143.08615	0.6
145.10161	5.3
147.11703	4.1
149.09633	3.2
149.13248	3.2
159.11757	3.9
161.09636	0.8
161.13312	2.2
163.11147	1.8
163.14871	1.4
165.12708	1.3
171.11784	1.0
173.13300	1.8
175.14864	1.7
177.12793	4.6
179.12758	1.3
179.14328	23.9
179.15845	1.2
186.66393	0.6
187.14880	1.0
189.16452	1.0
191.14310	0.8
193.15903	1.0
199.14905	0.8
201.16385	1.1
203.18034	1.1
205.15889	1.5
213.16402	0.6
215.17996	1.1
233.19031	1.0
247.20641	0.9
263.19949	1.2
275.20093	4.9
289.25507	1.1
293.21161	1.2
303.26855	4.0
313.25345	0.9
331.26340	28.6
332.26877	0.7
349.27426	1.3
367.24820	2.6
423.31152	100.0
423.36084	6.9
424.31329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.01870	5.5
55.05517	33.5
57.03432	7.7
57.07071	5.7
59.04993	3.2
65.03979	4.4
67.05511	88.7
69.03445	18.1
69.07068	28.1
71.01360	6.7
71.05000	8.2
71.08642	4.8
71.52352	3.0
79.05059	2.6
79.05498	67.3
81.03421	19.5
81.07062	100.0
83.04967	6.5
83.08619	18.0
85.02881	5.9
85.06557	4.0
91.05482	46.9
93.06484	6.6
93.07046	92.5
95.04955	4.6
95.08006	4.7
95.08613	79.4
97.02900	71.1
97.06526	8.4
97.10153	7.0
99.04465	21.6
105.07042	34.1
107.08600	46.7
109.02897	9.1
109.06507	9.8
109.10164	35.3
111.11771	3.2
112.73141	3.1
116.44250	3.2
117.06995	16.7
119.08604	37.3
121.06501	5.0
121.10159	53.0
123.08079	17.9
123.11726	12.0
125.09575	5.1
127.03922	36.0
129.07060	6.0
131.04916	4.0
131.08557	24.3
133.10135	29.3
135.08087	4.5
135.11725	31.2
137.09592	5.9
137.13197	3.4
140.57916	3.7
143.08551	8.5
145.04996	3.9
145.10132	28.4
147.11725	18.6
149.13297	16.6
157.10139	5.9
159.11697	19.3
161.13272	14.5
163.11243	5.0
163.14867	6.0
167.39630	3.1
169.10007	3.5
171.11668	4.8
173.09651	3.6
173.11893	3.5
173.13290	16.4
175.09233	3.0
175.14861	8.0
177.16379	4.8
179.14320	20.8
185.13297	6.7
187.14844	10.4
191.14417	3.6
199.10947	3.7
201.16388	10.8
243.21147	12.2
245.32640	3.0
249.18568	7.2
253.04790	3.6
259.20523	6.3
261.22168	31.4
277.21936	3.8
329.24652	4.5
331.26312	14.8
339.23413	5.6
357.24203	6.3
423.14288	10.6
423.31714	40.4
423.36227	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01882	10.0
55.05275	1.7
55.05513	35.3
57.03436	9.6
57.07064	7.7
61.02921	3.8
65.03922	5.5
67.05509	98.9
69.03084	2.7
69.03430	32.7
69.07073	33.0
69.85210	7.7
71.01335	3.4
71.05003	10.1
72.08167	2.0
73.02914	3.2
79.05498	72.4
81.03420	41.4
81.07061	100.0
83.05000	12.8
83.08617	14.2
85.02902	17.4
85.06542	6.2
88.87989	1.9
89.06006	2.2
91.05488	68.7
93.07051	98.9
95.04961	14.1
95.08613	81.4
97.02917	15.4
97.06533	8.6
97.10164	6.1
99.04469	11.6
99.08121	4.7
103.03928	3.6
103.05467	3.0
105.07040	58.9
107.04964	6.1
107.08600	61.2
109.02892	6.3
109.06509	12.2
109.10163	40.3
111.04453	8.9
111.08076	5.9
113.06032	1.9
115.05411	2.6
116.06255	2.1
117.07032	30.0
119.08593	51.5
121.06497	6.5
121.10152	52.3
123.04432	7.0
123.08100	14.4
123.11689	15.8
125.06024	2.8
125.09644	3.3
127.03937	5.7
128.06236	4.4
129.05495	5.1
129.07004	15.7
131.04933	2.9
131.08575	41.7
133.06494	6.5
133.10150	42.0
135.08037	6.6
135.11700	38.4
137.05994	3.2
137.09613	4.5
137.13248	5.1
139.11244	2.5
141.06972	5.4
142.07779	3.1
143.08565	20.4
145.06473	6.7
145.10127	37.3
147.08060	7.8
147.11719	25.9
149.09624	6.9
149.13272	25.2
151.07532	4.2
151.11191	2.1
153.09071	3.0
155.08537	7.4
157.06471	2.2
157.10129	15.9
159.08095	4.1
159.11713	29.9
161.06009	2.5
161.09619	5.6
161.13261	19.7
163.11182	5.7
163.14815	7.9
165.12779	2.6
167.08562	3.6
169.10161	8.8
170.10950	2.1
171.08128	4.0
171.11705	18.2
173.09599	5.9
173.13246	20.2
175.11174	6.0
175.14828	9.1
177.12781	5.5
177.16418	3.1
179.14323	14.7
181.10005	3.0
183.11696	6.9
185.09593	3.7
185.13295	10.9
187.11220	5.2
187.14835	10.4
189.12770	4.8
189.16360	2.3
191.14441	2.3
191.17949	3.0
193.12421	2.0
193.15965	2.5
195.11713	3.5
197.09615	1.9
197.13237	5.9
199.11174	4.1
199.14854	7.3
201.12814	5.5
201.16386	3.6
203.14294	2.3
205.12268	2.5
207.11722	2.6
209.13281	3.4
211.11313	2.5
211.14781	3.0
213.12796	3.6
213.16321	2.5
215.14360	2.3
215.17879	2.3
225.12791	2.3
227.17857	2.9
231.17517	2.8
233.18991	2.7
235.16992	2.7
241.19537	6.7
243.21040	6.0
249.14879	4.2
259.20605	17.3
261.22125	27.6
273.22119	7.0
275.20099	3.1
275.23465	2.4
277.14395	2.9
277.21591	9.9
279.23279	3.2
283.20404	2.6
285.22214	6.5
289.21674	7.1
291.23196	7.3
301.21548	5.9
303.23193	13.9
313.21594	4.3
315.23074	7.0
319.22720	4.7
321.24435	2.9
323.23682	2.9
327.23288	3.8
331.22574	3.1
331.26254	6.2
341.24768	6.0
345.24338	5.1
351.22922	9.5
369.19937	3.9
369.24228	29.6
387.25308	27.5
405.26294	37.3
423.27252	17.8
423.31296	16.2
423.36383	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1805
Annotation	Ugonin S
Peak:m/z	Relative Intensity
55.01866	0.7
55.05500	0.3
65.03963	0.3
67.05511	1.5
69.07092	1.5
79.05485	1.1
79.61613	0.2
81.07071	1.8
83.04987	0.3
83.08617	0.4
85.83385	0.3
87.05663	0.3
89.03943	0.3
91.05469	0.7
93.07044	1.3
95.04992	0.3
95.08620	1.5
97.06581	0.3
105.07035	1.0
107.04929	0.4
107.08596	1.1
109.06512	0.6
109.10155	1.1
117.07018	0.5
119.08573	0.9
121.10152	1.0
123.08092	1.4
131.08578	0.3
133.10115	0.7
135.04443	0.5
135.08093	0.5
135.11658	0.5
137.02370	2.9
137.09668	0.3
141.01840	1.4
143.08553	0.3
145.10156	0.5
147.11702	0.4
149.13315	0.5
157.10089	0.3
159.11725	0.7
161.13341	0.2
165.01846	5.1
169.06465	0.3
179.14343	1.3
181.10100	0.3
183.02907	1.6
195.11949	0.3
197.05977	0.5
205.82146	0.3
215.07027	0.5
225.05557	0.4
243.06599	1.2
245.04475	0.5
253.05020	0.7
271.05930	1.3
281.04517	0.9
289.87003	0.3
299.05521	100.0
300.05939	1.3
313.07150	1.4
331.26282	1.1
349.27786	0.4
355.12076	0.3
367.11624	0.5
423.18079	8.0
423.31351	3.5
423.36539	0.4
427.58273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51799	0.3
57.03436	0.3
58.80819	0.3
67.00903	0.3
68.75854	0.2
69.03419	0.4
69.57903	1.6
72.08144	0.7
73.02921	0.3
84.04530	0.3
85.02905	0.3
95.04958	0.3
97.02883	0.3
117.83688	0.3
126.50275	0.3
146.08112	0.3
146.66116	0.3
237.14134	0.3
261.13104	10.4
296.56021	0.3
423.18378	100.0
424.18661	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05502	1.7
55.30090	0.7
60.41360	0.7
67.01871	1.4
67.05494	2.5
69.03414	1.1
69.07072	1.2
70.06564	0.9
74.76620	0.7
77.03966	0.7
78.04729	4.3
79.05508	6.3
81.03413	1.7
81.07068	5.2
82.06560	0.8
83.08627	1.4
83.67626	0.8
85.02919	1.4
88.54353	0.8
91.05515	4.9
93.07025	4.0
95.04992	3.8
95.08627	4.7
96.84372	0.7
97.02896	1.7
97.06528	2.4
97.10199	1.1
103.05499	4.5
105.07037	9.0
106.04167	2.5
106.77361	0.7
107.04966	6.6
107.08609	4.6
109.02853	0.9
109.10153	2.7
112.47713	1.0
115.05460	2.7
116.06253	0.8
117.07002	2.1
119.08606	5.6
121.06507	3.4
121.10161	2.8
123.04437	9.2
124.05218	3.5
127.03911	1.6
129.07042	1.9
131.04942	6.5
131.08551	2.7
133.06514	6.0
133.10118	3.2
135.08105	1.5
135.11687	1.7
137.05948	3.1
137.09622	1.4
141.06906	1.1
143.08533	1.2
145.06490	2.8
145.10107	3.1
147.04408	1.7
147.08040	5.3
147.11682	1.9
149.09645	1.3
151.03911	1.7
151.07545	3.0
152.04701	1.6
157.10190	1.1
158.07249	1.0
159.08080	2.1
159.11685	1.5
161.05992	6.4
161.13228	1.4
163.06285	1.4
163.07544	13.7
167.07054	100.0
168.07430	1.1
173.05956	1.1
173.13272	0.9
175.07588	2.9
175.14807	1.7
177.09099	2.1
179.07082	2.2
181.08615	4.1
187.07571	2.0
189.09119	0.8
189.12753	1.0
191.18008	1.5
192.07802	1.1
193.08620	17.9
201.09042	1.8
203.14331	1.5
205.08623	1.6
213.12733	1.2
219.10274	2.2
231.07988	0.8
231.13802	2.5
233.11751	2.8
234.78152	0.8
237.11299	1.9
249.28772	0.8
323.12875	1.6
355.15524	4.1
423.07062	3.0
423.36179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
56.96555	1.5
57.03408	0.9
58.99593	5.8
61.02918	1.4
64.45063	0.6
67.05505	5.7
69.03434	5.1
69.07078	19.2
70.06596	1.1
71.04990	1.5
71.05354	0.9
73.02908	1.2
76.02222	2.7
81.03406	3.0
84.08148	1.1
85.02906	11.8
87.04474	0.8
93.07027	1.1
95.04977	2.4
97.02899	7.1
98.97574	4.9
99.02670	1.7
99.04437	0.9
100.07609	2.0
101.00876	1.1
101.04251	42.4
109.02884	2.9
110.06022	0.9
110.97583	1.0
112.07611	3.8
115.03898	0.9
116.98605	1.4
119.01904	1.2
122.02708	1.1
126.05483	0.8
127.02125	5.0
127.03945	3.1
127.05775	2.0
129.03749	1.9
129.05524	1.5
130.08676	0.8
131.01901	0.9
133.04945	1.0
136.07559	1.1
137.05969	2.2
138.05495	1.6
140.07077	8.9
143.00146	1.5
143.01895	1.0
144.13849	1.2
145.03410	1.6
145.04964	1.1
146.08182	1.0
147.04413	2.0
155.01755	3.2
157.03439	1.8
158.99640	1.2
161.03000	0.8
161.71242	0.7
168.04807	0.8
169.03497	2.2
170.06378	2.6
172.04289	100.0
173.02945	1.6
177.00797	0.9
177.04262	0.7
180.04843	1.7
180.06479	0.8
182.08136	2.7
185.02910	0.9
187.04561	1.6
197.07446	2.3
198.05861	5.1
203.04027	1.0
214.05353	9.7
215.08531	7.0
219.01680	0.9
221.05109	1.4
235.06567	0.9
237.02750	0.8
238.05342	1.0
244.06409	9.6
245.05132	2.9
246.58635	0.8
257.05154	1.2
259.06784	1.3
261.06503	0.7
261.09064	15.0
261.18106	1.6
269.11771	0.8
271.06882	0.9
275.09637	1.1
277.07626	1.2
286.07422	1.6
302.12283	1.5
303.09973	1.4
316.08588	1.4
332.75287	0.7
334.09586	3.2
339.09882	1.1
342.10114	1.0
363.11398	2.4
377.13797	8.6
381.12430	2.8
388.10394	0.7
393.92084	0.8
423.14340	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.5
57.07082	100.0
57.48222	3.5
59.05006	45.5
60.44750	3.0
61.97596	3.1
67.05488	9.4
68.86509	3.0
69.07062	13.8
71.08242	4.8
71.08633	91.3
71.52538	4.8
73.02923	45.5
81.07043	7.8
83.08603	12.2
85.10188	91.2
87.04498	4.4
91.05486	4.2
93.07039	27.6
94.07381	8.0
95.08608	21.4
96.08927	8.6
97.10153	5.4
99.11723	14.4
107.08566	6.1
109.10165	4.3
111.08054	14.7
112.08387	3.6
117.09148	20.8
127.07556	4.7
133.44086	3.4
135.40395	3.6
139.07518	15.9
140.07880	3.8
141.16328	7.4
153.09113	5.0
155.18004	3.3
167.10684	4.3
168.11057	5.2
184.85579	3.0
197.75372	3.2
199.20522	15.7
202.98946	3.5
209.15279	4.4
257.24722	13.8
404.36157	35.7
422.37180	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1263
Annotation	Plicatic acid
Peak:m/z	Relative Intensity
57.30812	1.0
69.05370	1.0
69.10094	0.9
69.42529	2.7
69.42941	5.2
82.06573	3.0
83.06936	1.0
97.91811	1.0
98.20838	1.5
100.07633	8.7
101.07969	1.1
136.78159	1.2
146.08122	3.8
185.02945	1.4
203.81219	1.2
228.07222	2.4
229.07356	5.0
235.06821	1.1
246.08269	1.1
247.08482	4.4
277.07745	3.2
278.07990	2.8
333.04388	1.3
391.07266	1.2
423.12714	100.0
424.12909	1.6
432.74652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1435
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
56.96538	0.6
57.03405	0.9
58.99598	6.2
61.02908	1.2
62.18840	0.6
65.62543	0.5
67.05511	7.2
69.03448	3.8
69.07077	14.7
70.06590	0.7
71.32333	1.1
73.02880	1.0
75.15401	0.7
76.02202	2.7
81.03397	1.7
85.02459	0.6
85.02917	9.6
93.07037	0.8
95.04942	1.7
97.02901	4.4
98.97592	6.7
99.02705	3.1
101.04252	43.3
103.03938	0.9
108.08009	0.8
109.02847	1.2
110.06023	1.2
112.07585	1.9
116.98621	1.5
122.02731	1.1
126.05479	0.7
127.02122	5.6
127.03915	2.5
127.05792	1.6
129.03668	2.0
136.07674	1.0
138.05525	0.9
140.07076	9.1
143.00191	0.6
145.97215	0.7
155.01616	2.0
158.99643	2.3
168.04774	1.0
170.06361	2.4
170.99690	0.8
172.04289	100.0
180.04805	1.6
182.08136	2.5
197.07423	1.6
198.05879	5.5
206.08157	1.3
214.05348	10.2
215.08478	4.7
219.01802	0.8
237.02827	1.2
238.05354	0.8
240.06847	0.8
244.06442	7.5
248.09436	0.9
249.02930	0.8
261.09116	12.5
261.11722	1.1
284.11386	0.8
286.07544	0.9
291.03983	0.8
291.07538	0.8
302.12451	1.2
303.10110	1.4
309.08612	1.3
334.09521	1.4
342.10165	1.0
360.11188	1.6
377.13785	7.2
423.14410	77.1
424.14523	1.0
428.59045	0.7
432.52444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01884	3.9
55.05507	7.2
57.03444	2.8
67.05518	21.3
69.03439	16.8
69.07101	12.4
70.75987	6.1
71.05005	6.0
79.05497	12.5
81.03426	39.3
81.07067	70.7
83.04972	4.7
83.08622	6.7
85.02915	9.8
85.06560	4.6
90.43282	2.4
91.05487	21.4
93.07053	9.4
95.04987	3.8
95.08657	11.5
97.02904	11.1
97.06548	5.5
99.04464	5.3
99.08105	2.5
105.07037	33.1
107.08614	14.6
109.02892	24.6
109.06536	5.5
119.08588	26.1
121.10162	26.4
122.54937	2.0
123.08091	6.7
123.11722	34.7
127.03934	31.4
127.07602	5.0
133.10188	4.5
137.13278	3.5
147.11705	100.0
157.10104	2.7
165.12769	54.7
175.11234	6.4
183.13820	19.5
193.12234	14.6
211.11507	2.5
211.13261	11.7
229.14380	92.4
274.00772	2.2
278.75247	2.2
309.16769	3.1
319.15518	10.0
337.16437	62.7
355.17520	46.8
355.21780	2.7
373.18576	8.1
423.90399	2.4
447.52017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01148	2.7
50.17953	3.1
50.89806	2.6
55.01873	5.7
55.05504	8.2
57.03423	5.1
63.95113	3.1
67.05512	20.5
69.03411	6.4
69.07060	13.7
71.04977	4.7
71.52068	2.7
71.52483	4.1
71.54774	2.8
79.05494	16.3
81.03429	6.5
81.07066	56.7
82.07428	3.1
83.04970	5.7
83.08616	11.6
85.02908	18.5
91.05482	17.2
93.07039	13.7
95.04984	4.5
95.08620	19.5
97.02901	6.1
97.06531	9.9
99.04403	3.0
100.11250	4.5
105.07051	23.2
107.08607	16.2
109.02855	4.1
109.06567	5.2
109.10146	7.4
117.29052	3.1
119.08605	29.9
120.08926	3.7
121.06517	3.0
121.10165	20.2
123.08067	3.0
123.11723	25.3
125.09667	2.7
127.03914	12.4
131.08511	4.5
133.10117	7.9
135.11713	2.8
137.13203	3.7
145.04927	3.5
145.10094	4.2
147.11699	67.9
157.10088	5.0
159.11705	3.9
164.45773	3.0
165.12762	60.0
175.11136	4.4
180.08734	5.6
191.17891	3.6
193.10611	2.5
193.12193	15.6
197.13535	4.2
197.15353	33.8
203.17836	4.4
225.14841	9.2
229.14362	11.5
243.15941	100.0
258.66949	2.7
264.23315	3.4
286.04581	3.1
301.07010	3.5
316.57806	2.9
330.21390	7.7
369.19025	4.5
404.25256	5.0
422.26227	8.3
422.34857	11.3
423.35895	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04245	1.3
69.03426	1.2
70.29925	1.1
70.30322	1.3
70.84933	0.4
71.45078	0.5
72.08160	0.6
77.66148	0.5
81.03420	0.7
82.06587	44.4
82.99856	0.9
84.08150	4.8
85.02911	1.3
87.04483	1.3
97.02905	0.9
98.09670	0.7
99.16549	0.5
100.07627	95.4
101.00896	3.9
109.02885	0.5
113.00921	0.9
115.02457	0.8
115.03880	0.5
119.01930	4.6
127.02424	0.7
127.03952	0.9
131.01901	1.7
133.03529	0.8
133.05054	0.8
137.02975	0.7
139.02393	1.0
143.01898	4.2
145.03494	1.3
146.08119	6.1
147.03168	0.7
147.04364	0.5
155.01918	2.0
157.03494	2.5
161.02980	6.7
164.05611	1.1
166.07121	0.8
167.01944	1.1
168.05090	1.4
169.03540	0.6
173.02971	2.8
175.04584	1.8
182.06647	5.3
184.08176	1.6
185.02980	3.7
186.06108	2.5
187.04497	1.3
191.04085	0.7
199.04550	1.1
200.07712	2.0
201.06064	0.6
203.04030	2.2
204.07179	1.8
205.05717	0.6
210.06136	8.7
217.05573	1.4
221.04971	0.7
223.47574	0.6
227.06358	1.3
228.07188	90.9
229.07256	1.5
235.06516	1.2
240.07175	2.1
242.09033	0.6
245.05020	1.1
246.08257	100.0
247.08360	1.4
248.08405	0.8
253.07742	1.1
258.08160	0.9
260.09851	0.7
263.06204	0.7
264.09421	1.1
269.09808	2.1
272.09854	0.5
277.07709	33.1
278.07770	0.6
282.08249	0.6
295.08685	5.5
308.47946	0.5
352.32440	0.5
362.12967	12.6
380.14096	6.4
422.10547	2.4
422.15689	4.1
423.13132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04245	1.3
69.03426	1.2
70.29925	1.1
70.30322	1.3
70.84933	0.4
71.45078	0.5
72.08160	0.6
77.66148	0.5
81.03420	0.7
82.06587	44.4
82.99856	0.9
84.08150	4.8
85.02911	1.3
87.04483	1.3
97.02905	0.9
98.09670	0.7
99.16549	0.5
100.07627	95.4
101.00896	3.9
109.02885	0.5
113.00921	0.9
115.02457	0.8
115.03880	0.5
119.01930	4.6
127.02424	0.7
127.03952	0.9
131.01901	1.7
133.03529	0.8
133.05054	0.8
137.02975	0.7
139.02393	1.0
143.01898	4.2
145.03494	1.3
146.08119	6.1
147.03168	0.7
147.04364	0.5
155.01918	2.0
157.03494	2.5
161.02980	6.7
164.05611	1.1
166.07121	0.8
167.01944	1.1
168.05090	1.4
169.03540	0.6
173.02971	2.8
175.04584	1.8
182.06647	5.3
184.08176	1.6
185.02980	3.7
186.06108	2.5
187.04497	1.3
191.04085	0.7
199.04550	1.1
200.07712	2.0
201.06064	0.6
203.04030	2.2
204.07179	1.8
205.05717	0.6
210.06136	8.7
217.05573	1.4
221.04971	0.7
223.47574	0.6
227.06358	1.3
228.07188	90.9
229.07256	1.5
235.06516	1.2
240.07175	2.1
242.09033	0.6
245.05020	1.1
246.08257	100.0
247.08360	1.4
248.08405	0.8
253.07742	1.1
258.08160	0.9
260.09851	0.7
263.06204	0.7
264.09421	1.1
269.09808	2.1
272.09854	0.5
277.07709	33.1
278.07770	0.6
282.08249	0.6
295.08685	5.5
308.47946	0.5
352.32440	0.5
362.12967	12.6
380.14096	6.4
422.10547	2.4
422.15689	4.1
423.13132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3679
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.02377	0.5
53.03939	1.1
55.01872	2.4
55.05273	0.5
55.05519	7.7
57.03439	0.6
57.07084	5.2
59.05001	0.5
64.36434	0.4
67.05513	10.7
69.03426	0.5
69.07076	15.3
70.98758	0.4
71.08646	3.7
73.02919	0.6
73.35401	0.4
73.62801	0.4
79.05483	1.1
79.60040	0.4
81.07056	2.8
83.04999	0.8
83.08624	8.0
85.10191	1.8
91.05491	5.9
93.07050	33.6
95.04969	1.4
95.08615	21.1
97.06532	0.8
97.10159	4.1
98.20767	1.2
105.04519	0.6
105.07050	1.1
107.08596	4.0
109.06516	0.5
109.10178	2.4
111.08089	18.3
111.11755	1.6
119.08599	1.2
121.06493	2.0
121.10156	1.5
123.08040	1.2
123.11654	0.7
125.09656	1.6
125.13248	0.7
127.07574	3.2
131.08452	0.5
133.10172	0.9
135.08087	1.4
135.11743	0.7
137.09656	1.2
137.13289	0.5
139.07555	20.8
145.10115	0.6
147.11639	0.5
149.09644	0.8
149.86784	0.5
151.11195	1.6
153.09117	11.4
157.08617	1.4
157.09969	0.5
163.11127	0.5
165.09186	1.0
167.10699	6.7
179.10695	0.8
179.14351	0.6
181.12253	5.8
193.12245	1.2
195.13785	5.3
207.13785	1.9
209.15385	2.9
221.15443	0.9
221.59872	0.4
223.16971	1.9
235.17009	0.6
237.18501	1.1
251.20122	2.0
265.21695	2.1
273.65378	0.4
277.21664	0.8
279.23148	0.6
293.24860	0.6
307.26349	0.6
321.27716	0.6
347.29306	0.4
403.35791	24.1
421.36795	100.0
422.37079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.05516	10.7
57.03443	1.8
57.07080	2.5
60.53444	1.7
65.03928	1.8
67.05509	16.2
69.07075	12.8
69.82143	7.9
79.05503	13.0
81.07068	36.2
83.05000	2.6
83.08607	5.8
84.08125	3.6
85.06565	1.6
91.05483	15.6
93.07047	25.8
95.04978	4.8
95.08616	71.0
97.06521	6.3
97.10159	5.5
103.05475	1.7
105.07042	41.0
107.04958	1.9
107.08604	41.4
109.06514	5.1
109.10168	35.0
115.05462	2.2
117.07037	5.6
119.08595	44.2
121.06477	3.0
121.10155	35.1
123.04438	5.7
123.08070	3.2
123.11726	11.2
129.07011	3.7
131.08588	24.6
133.10144	34.8
135.08081	2.1
135.11705	21.1
137.05956	2.8
137.09581	2.1
137.13269	9.1
142.07793	2.7
143.08574	11.0
144.09366	2.7
145.06424	1.7
145.10146	28.8
147.11707	32.1
149.13268	15.3
151.14925	1.9
153.05534	1.6
155.08568	4.1
156.09363	2.6
157.10133	18.8
159.11717	26.5
161.13286	22.1
163.14865	9.2
167.07056	5.0
169.10150	2.4
171.11691	12.5
173.13278	30.6
174.13974	2.0
175.11261	3.6
175.14827	14.2
177.12755	9.3
177.16342	8.7
179.14359	3.6
181.10159	1.9
183.06567	8.8
183.11705	5.2
185.13234	10.5
187.11298	1.8
187.14838	17.6
189.12761	3.3
189.16415	18.2
191.14302	4.7
191.17963	26.9
195.11844	2.1
197.13342	3.4
199.14838	9.8
201.12871	1.6
201.16396	15.7
203.14375	7.2
203.17966	35.6
205.15814	3.6
205.19650	2.2
209.13402	2.6
211.14920	4.0
213.16380	13.6
215.14362	3.3
215.18005	5.4
217.15900	6.6
217.19511	5.2
219.17563	1.9
223.14719	2.1
225.16370	3.9
227.17978	2.9
229.15900	4.3
229.19597	6.1
231.17488	19.0
231.21140	3.8
237.16406	1.7
241.19588	3.4
243.17430	4.6
243.21083	2.8
253.19571	2.4
255.21109	4.0
259.09720	2.1
265.14554	1.6
267.21222	2.0
269.19263	2.8
269.22687	5.8
271.20575	5.3
271.38495	1.7
283.20566	2.9
283.37347	1.7
285.22131	2.5
297.22134	2.0
297.44714	1.9
329.21280	1.8
353.18616	1.7
363.30566	1.8
379.30084	3.2
393.35236	3.3
403.33832	7.3
421.34683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52337	0.2
55.05505	0.4
57.07084	16.0
67.05496	1.1
67.32495	0.2
69.07061	0.4
70.06604	0.3
70.12334	0.7
70.12746	0.5
79.05481	0.6
81.07064	0.9
83.04969	0.3
83.08629	0.4
91.05486	0.6
93.07041	0.9
94.33322	0.2
95.04993	0.5
95.08615	1.3
102.09103	0.3
103.80495	0.2
105.07029	1.0
107.08587	1.1
108.04462	0.3
109.06518	0.3
109.10150	1.1
119.08592	0.8
121.06504	0.3
121.10168	0.5
124.24557	0.2
125.07088	1.7
126.05515	2.3
127.03918	0.4
131.08603	0.6
133.10120	0.5
133.48357	0.3
134.07079	0.3
135.11685	0.3
145.10104	0.5
147.11761	0.3
149.02344	0.6
149.13228	0.3
151.32471	0.3
157.10146	0.6
159.11691	0.5
171.11751	0.4
173.13292	0.4
187.14928	0.3
191.11880	0.6
193.04985	0.9
196.84598	0.3
199.14946	0.3
201.16441	0.2
208.14476	1.1
209.12874	6.8
210.11276	0.6
218.12910	3.3
219.11307	1.2
260.15173	0.4
275.17572	5.2
292.20236	4.2
293.18594	5.2
302.18658	8.6
343.22433	0.4
358.24866	1.3
376.25964	100.0
377.26389	1.7
384.80460	0.3
394.26987	2.3
421.25781	0.8
421.31470	6.3
422.29056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01865	3.7
55.05275	1.6
55.05512	21.2
57.03427	4.3
57.07066	4.9
59.04995	1.4
65.03942	3.1
66.50745	1.2
67.05505	35.2
69.03430	4.3
69.07064	20.1
70.35584	4.6
71.04972	3.6
71.99344	1.6
73.02916	1.3
79.05499	26.3
81.03415	8.0
81.06594	3.3
81.07058	57.3
83.04967	5.2
83.08617	12.9
85.02888	3.6
85.06530	2.6
91.05475	29.3
93.07046	40.9
94.03161	1.5
95.04388	1.6
95.04977	22.3
95.08608	77.4
97.06545	13.1
97.10161	9.7
99.04459	1.6
103.05460	3.0
105.06319	1.6
105.07034	49.5
107.04960	13.1
107.08596	53.1
109.06526	9.4
109.10162	44.5
111.08068	3.7
111.11695	2.3
115.05454	2.0
117.07003	10.5
119.08578	56.1
121.06510	8.8
121.10155	34.0
123.08070	4.2
123.11718	13.8
125.09650	3.8
128.06160	2.0
129.06993	8.5
130.07643	1.5
131.04762	1.6
131.08572	29.4
133.06487	4.0
133.10135	38.1
135.08023	4.4
135.11699	27.5
137.09633	2.4
137.13255	9.9
141.06946	1.6
142.07762	3.3
143.08557	13.7
144.09312	2.5
145.06538	1.9
145.10139	36.2
147.08023	4.8
147.10544	1.9
147.11696	37.6
149.09648	4.1
149.13277	19.0
151.14818	3.0
155.08626	3.2
156.09338	4.0
157.10117	21.4
158.10837	1.6
159.11703	29.7
161.09610	4.0
161.13258	27.2
163.03894	2.1
163.11182	4.5
163.14821	7.8
165.12747	1.5
167.08502	1.7
169.10120	4.8
170.10915	1.5
171.08043	1.8
171.11681	15.4
173.02344	2.0
173.09662	1.8
173.11801	2.4
173.13261	36.3
175.11244	8.7
175.14836	18.2
177.12770	10.3
177.16411	7.0
179.14279	5.4
181.10123	2.8
183.02870	2.9
183.11696	4.8
185.13268	12.5
187.11156	3.8
187.14828	15.0
189.09126	2.9
189.12744	5.3
189.16373	23.0
191.14275	4.8
191.17940	24.1
193.12299	4.3
195.11707	4.3
197.13272	6.1
199.14839	8.3
201.12743	3.5
201.16386	16.0
203.10703	3.5
203.14380	16.3
203.17949	45.2
205.12321	2.3
205.15921	2.6
205.19510	2.4
209.13364	2.9
211.14856	5.2
213.16415	13.0
215.14348	4.1
215.17935	6.7
217.15843	5.8
217.19510	5.7
225.16447	2.3
227.17995	4.1
229.15942	2.7
229.19592	3.6
231.13924	1.6
231.17459	23.7
231.21117	6.2
241.19502	4.6
243.17590	3.3
243.21075	4.2
249.14816	3.2
253.19408	2.6
255.21088	3.7
257.18860	2.1
257.22787	1.8
259.09592	2.9
267.21185	2.5
269.19028	2.3
269.22644	5.4
271.20673	3.3
281.22543	2.1
283.20544	4.9
285.21759	1.7
295.24313	2.5
297.22079	2.0
301.21735	2.2
311.19946	5.6
319.23248	1.8
323.23694	1.9
329.21100	32.0
337.25290	1.9
347.22162	6.4
379.29944	3.4
385.23541	2.6
393.35263	3.6
403.24796	23.1
403.33499	6.5
413.45557	1.6
421.09570	1.6
421.26178	38.2
421.34637	100.0
422.34930	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.2
57.07067	2.5
67.05518	17.3
69.07069	13.7
79.05506	13.7
81.07071	38.7
83.04984	2.0
83.08628	7.2
90.76031	1.8
91.05489	16.4
91.72623	2.0
93.07051	33.4
95.08618	65.2
97.06530	2.8
97.10178	6.5
98.20695	2.8
105.07045	40.4
105.07701	3.7
107.08608	43.8
107.12170	1.9
109.06544	5.6
109.10175	31.5
113.62772	1.9
117.07022	7.2
119.07804	4.0
119.08598	46.4
121.06548	2.7
121.10161	27.5
123.08122	2.2
123.11722	13.9
129.06999	5.0
131.08598	19.4
133.10167	32.2
135.11726	22.9
137.13260	8.4
142.07788	4.1
143.08640	10.2
144.09380	2.8
145.10139	28.3
147.11719	29.9
149.09628	2.3
149.13287	15.0
155.08658	2.3
156.09384	4.1
157.10150	14.7
159.11726	31.1
161.13275	23.1
163.14830	8.2
169.10159	3.9
171.11726	15.6
173.13293	30.6
175.11267	3.3
175.14873	14.0
177.12785	8.7
177.16417	8.2
179.14357	4.7
183.11842	4.8
185.13312	8.1
187.14856	18.0
189.12822	6.5
189.16417	21.1
191.14363	5.4
191.17982	24.0
194.46196	2.0
197.13304	4.5
199.14818	8.4
201.16440	15.4
203.14375	10.5
203.18004	40.3
205.19525	2.3
209.13338	2.7
211.14920	4.1
213.16396	15.1
215.14346	2.4
215.17989	6.5
217.15913	5.9
217.19518	6.0
223.14915	2.1
225.16374	2.8
227.18062	5.1
229.15948	2.5
229.19543	6.5
231.17496	18.9
231.21176	7.8
243.21144	4.9
255.21339	3.4
257.19086	3.5
267.21365	2.8
269.18893	3.0
269.22736	6.8
271.20642	2.9
285.22620	2.0
297.22336	2.4
379.30130	3.9
393.35397	4.7
403.33588	5.5
421.34711	100.0
422.35416	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26801	1.1
55.01868	3.3
55.05521	8.8
57.03442	10.4
57.07086	33.8
59.04998	1.6
67.05514	15.7
68.96059	1.4
69.07075	11.1
70.64157	3.4
71.05017	2.3
71.34451	1.5
73.43211	1.3
79.05500	9.4
81.07073	25.9
81.42896	1.4
83.04990	4.2
83.08621	5.6
85.06558	15.9
91.05492	6.4
93.07057	14.2
95.04997	2.1
95.08620	20.4
97.06554	4.4
97.10188	3.5
105.07040	10.7
107.04982	2.9
107.08614	15.6
109.06530	15.5
109.10185	10.6
111.04488	4.0
119.08627	9.4
121.06523	2.6
121.10147	9.2
123.08106	10.6
123.11744	4.4
125.06039	3.6
126.88448	1.5
129.06995	1.4
131.08565	3.9
133.10156	8.3
135.08078	18.4
135.11725	5.5
137.05016	2.1
137.06001	22.0
137.09593	1.5
139.07582	2.6
143.08548	1.9
145.10152	5.3
147.11700	4.8
149.09625	3.3
149.13316	3.3
151.07507	7.2
151.11220	3.2
153.12778	2.5
157.10146	2.7
159.11743	4.4
161.09679	3.4
161.13330	3.9
163.11185	1.3
163.14874	2.1
165.09142	1.4
165.12799	8.4
171.11748	2.5
173.13306	2.8
175.11224	2.4
177.12820	4.6
179.14371	2.9
184.07387	4.2
189.12820	2.0
191.18066	1.7
193.12259	2.7
207.13893	8.0
215.18111	2.4
217.08772	2.3
231.17520	1.7
233.19090	1.8
245.18800	1.7
249.65791	1.5
250.17880	1.5
259.09637	3.3
263.20178	2.9
291.19675	2.0
301.25409	1.9
305.24753	1.8
309.21085	1.4
319.26364	12.2
329.24606	2.4
337.27441	6.2
347.25861	100.0
348.26233	1.7
365.26953	23.0
393.29984	13.9
403.28806	2.2
407.34048	1.5
421.29608	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
55.05533	17.3
56.36825	2.4
57.03443	12.0
57.07092	12.1
64.41647	2.6
67.05515	30.2
69.07076	35.3
71.04980	6.8
71.08614	3.3
76.99107	2.2
79.05505	19.0
80.61436	2.2
81.07066	37.0
83.04986	4.1
83.08604	6.9
85.06534	4.7
90.08780	2.8
91.05495	16.4
93.07058	31.5
95.04963	8.3
95.08618	34.1
97.06526	11.0
97.10178	4.4
98.21630	4.7
105.07063	15.5
107.08601	34.1
109.06522	17.5
109.10171	17.6
111.04478	6.3
111.08047	5.3
117.07053	2.6
117.96383	2.7
119.08608	13.0
121.06487	3.3
121.10155	11.1
123.08046	12.5
123.11704	6.0
124.07613	2.5
125.06003	8.0
131.08545	3.4
133.10138	10.4
135.08087	23.7
135.11720	22.9
137.05998	18.8
137.09595	5.5
137.13255	2.9
145.10156	8.8
147.11687	9.6
149.09602	5.4
149.13252	5.4
151.07565	9.1
153.12715	5.8
157.10152	3.6
159.11708	5.6
161.09627	7.5
161.13226	3.6
163.11176	3.4
165.12814	5.9
167.14310	5.4
171.11711	5.7
173.13231	4.1
175.11229	2.7
175.14856	3.4
177.12773	8.6
179.14339	6.4
181.12268	9.0
185.13297	4.0
187.14922	3.3
191.14290	4.3
193.12178	4.7
201.16402	2.9
209.13231	2.9
221.19090	5.9
235.20569	3.4
263.20132	4.3
270.30417	2.6
305.21820	2.0
305.24771	79.2
319.26355	22.6
329.24701	6.3
347.25851	100.0
365.26926	13.8
393.29956	8.5
403.28918	3.7
403.33386	3.5
421.29730	74.7
421.34717	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	420.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.03424	5.3
57.07080	100.0
59.05008	33.2
69.07064	7.0
71.08638	66.8
71.52113	1.7
71.52603	2.4
75.04473	2.3
81.07059	4.1
82.07386	1.7
84.09800	1.8
85.10191	62.5
89.05997	2.0
91.05464	1.6
95.08613	4.8
96.22025	1.9
97.06514	5.0
97.10201	2.4
98.91330	1.6
99.11744	14.0
103.38873	1.8
105.07033	2.5
113.13273	5.8
115.06926	2.2
115.07590	25.8
117.09157	11.3
155.17989	8.7
164.80498	2.0
171.13814	4.6
173.11711	2.4
191.12805	4.3
197.19609	1.8
213.22154	12.7
228.50946	2.0
271.26358	15.0
386.87003	1.9
402.30600	4.9
403.34131	2.8
420.36728	3.4
421.34634	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01871	1.9
55.05517	6.0
57.03435	1.7
65.03935	1.3
66.18805	0.6
67.05178	1.0
67.05510	11.7
68.99796	1.0
69.03439	1.3
69.07070	5.5
71.04997	1.2
71.22401	0.7
71.52176	1.0
77.03934	1.1
79.05500	10.4
81.03432	3.8
81.07064	13.5
83.04966	1.0
83.08614	3.9
85.02892	1.0
85.06541	1.2
91.05489	9.6
91.06013	0.9
93.07062	9.4
95.04979	11.8
95.08622	12.6
97.02911	1.6
97.06530	2.9
97.10186	3.6
99.00809	1.4
103.05483	1.6
105.03363	0.7
105.04537	0.9
105.07045	10.7
107.04965	100.0
107.08602	8.3
108.05323	0.8
109.06544	1.5
109.10168	8.6
111.08076	1.4
112.01585	1.0
115.05431	1.2
117.07031	3.5
119.04929	1.8
119.08590	9.3
121.02882	21.1
121.06516	5.3
121.10162	6.6
123.04443	2.2
123.08057	1.4
123.11695	1.6
125.09644	2.1
126.03144	1.1
127.00304	0.9
128.06178	0.9
129.07008	2.8
131.04948	2.7
131.08578	5.2
133.06516	6.6
133.10141	5.8
135.08136	1.7
135.11703	3.8
137.02367	1.0
137.09598	1.1
137.13206	0.8
141.07018	1.3
143.08577	3.2
144.05717	2.0
145.06514	2.1
145.10139	6.0
147.04408	0.8
147.08047	1.7
147.11714	5.7
149.06000	0.8
149.09677	1.3
149.13251	1.7
154.02617	13.2
155.03413	0.7
155.08594	1.5
157.06575	1.4
157.10187	3.3
159.08008	1.3
159.11714	5.9
161.09647	2.0
161.13278	2.4
163.03966	0.9
163.11212	1.8
163.14836	0.9
165.06969	1.5
167.03584	0.8
167.08611	1.2
168.00555	11.7
169.04987	50.9
169.10178	1.4
170.02200	1.4
171.10347	1.0
171.11635	3.4
173.06009	0.9
173.11902	0.9
173.13222	3.2
175.11258	1.9
175.14861	2.2
177.12764	3.1
179.03473	1.1
181.10193	1.2
183.02914	30.8
185.04535	1.1
185.09663	0.8
185.13272	2.3
186.01601	6.1
187.11267	1.8
187.14896	2.3
189.09221	1.2
189.11217	1.5
189.12849	1.3
189.16429	2.0
190.07770	1.4
191.08603	3.1
191.18037	3.0
193.12247	1.6
194.07373	1.1
195.11630	0.9
197.13307	0.9
199.07632	1.8
199.11261	0.8
199.14761	1.1
201.12869	0.9
201.16389	2.1
203.10719	1.8
203.14381	1.3
203.18028	2.7
209.09654	2.2
209.13223	0.8
210.06918	0.9
211.07536	1.2
213.05484	1.2
213.16393	1.0
215.07135	1.1
215.17963	0.7
218.07323	1.4
219.08057	3.9
225.05714	0.7
227.07236	0.7
229.05011	12.3
229.07417	1.1
229.08490	1.0
231.13824	1.3
231.17482	1.4
237.09169	4.6
239.07019	1.9
241.05055	1.7
242.05698	1.0
245.04477	21.0
246.05217	8.9
247.07631	2.4
249.14864	0.8
255.20937	0.7
259.09644	1.0
261.07614	44.6
265.08667	6.9
267.06784	1.2
270.05319	1.7
273.07550	1.5
283.20810	0.9
285.07596	41.2
286.04745	1.2
287.09314	1.0
294.05301	1.2
299.09155	1.0
301.07144	5.2
301.21613	1.7
309.07721	1.3
311.20251	2.3
312.06082	0.9
312.16949	0.7
315.08624	5.1
327.08621	4.6
329.21106	14.1
347.22244	2.0
377.23129	0.8
385.23642	1.6
403.11713	5.1
403.24786	10.9
421.13104	10.7
421.26016	14.4
421.34579	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	420.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02118	0.5
51.97675	0.5
52.06966	0.5
53.03941	1.8
53.88164	0.5
57.03437	1.2
60.75638	0.6
69.03434	11.3
71.01415	0.7
71.02517	1.1
71.04980	1.2
72.08147	0.6
73.02934	0.8
73.59881	0.6
78.03460	9.1
79.05488	0.7
80.05018	1.7
81.03426	14.7
81.04517	1.1
84.08160	0.7
85.02514	0.6
85.02926	7.2
87.04470	1.2
91.05469	0.8
96.04504	2.2
97.02914	5.3
99.04472	3.3
103.05470	0.6
105.07050	3.4
106.02928	42.3
109.02896	8.6
115.56892	0.6
117.05518	1.2
122.02422	0.7
123.04470	0.7
124.03967	100.0
125.04298	0.9
127.03939	15.0
127.04949	1.3
131.70859	0.5
133.06520	3.1
135.06479	0.7
137.05988	0.9
145.04976	1.2
147.04446	1.5
161.05998	6.1
166.05042	2.0
167.07069	0.9
183.46265	0.5
193.08626	3.7
199.42236	0.6
207.06631	0.6
232.06073	2.9
250.07109	11.9
257.15109	1.3
258.15375	1.5
268.08191	60.8
269.08472	0.7
307.08240	1.1
310.14203	0.6
367.10239	0.8
385.11292	2.0
402.13989	0.8
420.15088	13.6
420.20749	0.8
438.65228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78428	1.9
55.01878	6.3
57.03440	11.3
59.04996	1.9
61.02935	9.6
69.03432	25.1
69.84266	1.4
70.83717	2.0
70.84047	3.0
71.01367	4.0
71.05000	1.9
73.02924	73.8
74.88322	1.9
81.03420	4.3
85.02911	55.0
87.04480	8.0
91.03938	2.6
91.05487	100.0
97.02901	56.7
99.04461	2.6
103.03933	3.9
105.07050	3.8
108.12085	1.7
109.02886	5.2
112.00132	1.7
115.03944	31.4
117.07040	3.4
127.03924	23.3
127.27310	1.4
129.07048	2.2
133.04968	36.7
133.06500	5.9
145.04971	31.6
145.06277	2.8
150.07649	3.1
157.06493	4.8
159.08096	2.1
161.04486	2.9
163.06036	11.8
171.08102	1.4
175.07445	2.2
205.08655	5.2
217.06871	1.8
217.08675	4.1
223.06102	5.0
223.09448	1.7
241.07071	8.0
253.10696	2.4
259.08151	11.1
271.11768	1.8
277.09201	3.0
295.10275	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	419.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
55.87285	0.8
57.07088	1.0
64.87789	0.8
69.07087	2.6
71.38577	0.9
81.07056	4.2
83.08624	0.8
95.08620	1.6
96.28987	0.8
97.10220	1.5
105.07081	1.2
109.10134	1.6
129.07034	0.8
142.07851	0.8
143.08739	0.8
157.10139	3.5
159.11653	1.2
182.52565	0.7
183.11844	1.1
197.13330	1.0
210.88057	0.8
211.14874	0.9
216.52072	0.6
247.50978	0.7
267.16708	0.7
270.44977	0.7
319.15704	0.8
351.08072	0.7
360.13977	1.3
361.14661	1.2
373.14639	0.8
374.15475	2.7
375.16177	3.4
376.16983	1.1
386.16428	0.8
388.16959	3.1
389.13245	0.7
389.17648	13.1
390.18558	3.0
391.19321	1.2
403.14783	1.0
403.19318	7.8
404.15591	1.1
404.20065	11.6
418.21567	1.9
419.22507	100.0
419.36633	7.9
420.23035	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3675
Annotation	3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
Peak:m/z	Relative Intensity
51.77837	1.0
53.00313	1.1
53.03950	3.3
55.05517	18.1
56.74367	1.0
57.07082	8.1
59.61317	1.2
65.20589	1.1
67.05186	1.3
67.05516	15.8
69.07076	35.4
69.57380	3.2
69.57784	2.9
70.07393	1.1
70.77364	0.9
71.08628	4.5
79.05495	12.4
81.07063	85.6
82.07397	2.3
83.08149	1.8
83.08624	21.2
85.10193	2.8
91.05496	6.2
93.07038	10.2
95.08611	23.6
96.08956	1.4
96.52441	1.0
97.10183	11.8
97.85675	0.9
105.07044	8.6
107.08599	7.2
109.06465	1.0
109.10180	17.1
110.10506	1.7
111.11734	8.7
115.05434	1.6
117.07024	3.3
119.08590	5.6
121.10135	5.8
123.11721	10.4
124.12050	1.9
128.06256	1.6
129.07034	6.6
131.03149	1.1
131.08582	9.6
133.10133	3.5
135.11696	2.7
137.06012	3.2
137.13290	6.8
139.14877	1.5
141.07025	3.5
142.07791	5.4
143.08580	12.8
143.22067	1.0
145.10123	9.3
147.11732	2.8
149.13226	1.9
151.07552	1.3
151.14798	1.8
154.07765	1.7
155.08566	12.7
156.09320	1.6
157.10144	34.8
159.11723	8.0
161.13275	3.2
163.14798	1.6
165.16429	4.8
166.16742	3.4
167.08572	1.9
168.09343	1.9
169.10152	10.6
170.10867	1.6
171.11679	9.6
173.13280	3.7
177.16408	1.4
181.10165	5.2
182.10973	3.1
183.11710	20.5
184.12379	1.4
185.13310	5.4
187.14915	2.2
194.10962	1.1
195.11760	6.7
196.12439	2.4
197.13277	16.8
199.14789	7.3
209.13277	7.0
211.14857	15.3
212.15483	1.8
213.16389	4.9
223.14845	5.6
225.16412	12.6
227.18034	1.5
235.14581	1.0
237.16428	7.4
238.17047	1.2
239.17926	5.4
250.17009	1.1
251.17982	7.8
252.18764	5.2
253.19495	9.2
265.19583	2.7
279.21130	7.2
281.22714	4.6
293.22647	10.7
295.24222	3.1
307.24225	44.4
321.25848	1.6
339.30716	1.6
401.34058	5.1
419.22495	2.5
419.36716	100.0
420.37070	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	419.3674
Annotation	3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
Peak:m/z	Relative Intensity
53.03933	2.4
55.05518	20.8
57.07079	9.0
65.03935	1.3
67.05513	16.6
69.07074	38.2
69.30548	5.9
69.30972	5.3
71.08643	6.8
74.31882	1.2
79.05502	14.3
81.07063	97.1
83.08630	20.6
85.10181	3.2
86.14367	1.1
91.05496	8.4
93.07051	8.9
95.08619	21.5
96.99772	1.4
97.10178	13.1
103.54677	1.2
105.07047	12.9
107.08596	7.1
109.10165	12.1
111.11722	8.4
117.07040	3.4
119.08580	7.0
121.10143	5.4
123.11698	7.9
123.27288	1.2
128.06207	2.8
129.06990	7.9
131.08571	9.0
133.10138	6.2
135.11743	2.2
137.05984	3.4
137.13255	5.3
139.14804	1.5
141.06995	4.2
142.07796	6.7
143.08588	14.3
145.10132	14.0
147.11679	4.4
149.13217	1.7
151.07295	1.3
151.14806	1.7
155.08574	14.9
156.09360	2.1
157.10143	41.3
159.11679	7.8
163.14835	2.2
165.16389	3.0
168.09303	3.1
169.10144	8.5
171.11719	10.3
173.13272	3.4
175.14854	1.9
181.10170	5.3
182.10944	4.2
183.11700	22.6
185.13269	9.5
187.14812	1.8
195.11687	7.7
196.12531	2.6
197.13263	14.4
199.14862	8.0
209.13387	7.4
211.14825	13.3
213.16440	5.8
223.14862	5.7
225.16399	13.0
227.17982	3.8
237.16376	7.5
239.17950	6.2
251.17969	7.8
252.18787	6.0
253.19522	10.1
265.19644	2.2
267.21249	1.5
279.21124	7.6
281.22684	3.6
293.22656	11.3
295.24200	3.4
307.24222	41.8
401.34088	3.1
419.36758	100.0
420.37073	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3672
Annotation	3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z-Hentriacontanonaene
Peak:m/z	Relative Intensity
53.03949	1.2
55.05515	16.9
57.07081	7.4
58.81576	0.6
59.05001	0.6
67.05510	15.3
69.07073	35.2
69.45985	4.2
71.08641	5.0
73.65262	0.6
79.05491	9.5
81.07059	81.4
82.07391	0.8
83.08621	16.4
85.10188	2.5
91.05487	5.8
93.07047	9.8
95.05015	0.8
95.08614	23.1
95.42262	0.6
97.10177	9.4
98.20781	1.0
98.98482	1.0
105.07037	9.1
107.08595	9.6
109.10158	12.3
111.11735	6.9
111.68944	0.7
115.05438	0.8
117.07024	3.6
119.08596	5.9
121.10153	5.8
123.11716	7.4
125.13311	1.4
128.06255	1.8
129.07011	6.2
131.08582	7.5
133.10152	4.3
135.11726	2.3
137.13275	5.9
139.14851	0.8
141.06985	3.7
142.07782	8.1
143.08559	11.3
145.10130	9.8
147.11697	2.9
149.13275	2.6
151.14807	1.6
154.07787	1.0
155.01071	2.0
155.08560	12.5
155.09734	1.3
156.09418	1.1
157.10138	42.2
159.11714	11.0
161.13277	2.5
165.07080	0.8
165.16362	3.9
167.08617	2.6
168.09402	2.4
169.10147	8.7
170.10985	1.0
171.11693	9.1
173.13246	2.7
175.14903	1.4
177.16443	1.1
181.10162	4.3
182.10939	2.2
183.11708	19.6
184.12454	0.9
185.13258	6.1
187.14833	2.7
194.10974	0.8
195.11684	6.1
196.12459	2.0
196.21150	0.7
197.13272	13.7
199.14825	8.6
201.02690	0.6
201.16440	1.8
209.13252	4.6
210.14081	1.4
211.14844	13.9
211.16759	0.9
212.15575	1.7
213.16364	5.2
215.17995	0.9
223.14848	5.2
225.16415	10.9
227.17941	1.9
227.19962	1.1
237.16341	6.0
239.17987	5.2
241.19518	0.9
251.17952	7.4
252.18723	3.5
253.19536	7.9
265.19583	2.8
267.21121	1.3
279.21091	6.7
281.22586	3.2
293.22635	9.3
295.24255	2.2
307.24203	37.0
339.30673	0.9
416.67963	0.6
419.36752	100.0
420.37054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05503	0.4
57.07066	0.6
62.88238	0.2
67.64489	0.2
69.07063	0.5
69.32929	0.2
71.08643	0.6
74.53532	0.2
80.23404	0.2
81.07048	0.4
83.08635	0.4
85.10176	0.3
92.09695	0.2
99.00806	0.5
99.04466	3.2
111.04443	3.4
125.06005	10.1
141.05475	4.7
153.05479	100.0
154.05803	0.4
157.10152	0.3
164.60811	0.2
167.07059	0.5
219.52623	0.2
309.47827	0.2
419.35239	40.5
420.35611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	17alpha,20alpha-Dihydroxycholesterol
Peak:m/z	Relative Intensity
53.31807	2.7
55.05515	16.7
57.03433	2.7
57.07076	27.0
58.96648	3.8
59.20794	2.6
67.01856	5.5
67.05489	12.5
67.48959	2.6
68.99792	22.6
69.07072	28.4
71.08640	23.9
71.52661	5.0
79.05484	8.3
79.22157	2.8
81.07076	23.9
83.05006	3.1
83.08627	15.7
85.06551	44.4
85.10180	14.5
91.05458	3.4
93.07036	9.1
95.08607	17.7
97.06460	3.2
97.10160	11.7
105.07053	4.5
107.04958	3.3
107.08585	7.5
107.85298	2.7
109.10143	10.8
111.08101	3.7
111.11723	8.3
119.08555	4.4
121.10178	6.1
123.11715	5.3
125.05994	7.3
127.07553	4.5
131.08607	3.9
133.10118	2.6
135.04366	6.0
135.11700	2.6
137.05923	2.7
139.07541	3.5
142.07707	2.7
143.08569	2.9
145.10057	4.5
149.02368	13.3
149.13145	3.3
151.07500	4.1
153.05486	6.7
153.09085	4.2
155.08597	3.3
157.10120	5.5
159.11702	3.2
169.08623	15.6
171.06541	100.0
181.12303	2.8
195.10150	7.7
197.13225	2.8
205.12291	22.3
207.13831	10.6
219.13771	6.9
221.15359	6.7
233.15337	4.7
247.16859	3.8
251.04565	5.2
261.18549	5.4
307.24155	4.4
401.34180	78.8
419.35394	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	419.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38778	1.8
53.03942	4.0
55.01871	2.3
55.05522	29.7
57.07082	25.9
67.05515	17.4
69.07077	45.3
69.41107	12.0
69.41521	3.2
71.08634	16.0
74.88922	2.1
79.05504	19.7
81.07064	81.1
83.04980	5.8
83.08624	32.0
85.06643	1.9
85.10197	7.6
91.05484	15.4
93.07047	13.3
95.08617	24.9
97.10179	18.6
105.07049	13.3
107.04995	2.4
107.08586	13.9
109.06516	21.1
109.10149	16.1
111.04483	2.7
111.11724	12.2
117.07059	5.3
119.08623	8.6
121.06541	3.8
121.10171	7.7
123.08083	4.4
123.11760	8.6
125.06020	6.2
125.13309	3.3
126.65830	1.7
129.07037	5.8
130.07782	2.3
131.08595	10.2
133.10164	7.6
135.04427	14.8
135.08076	3.9
135.11777	5.0
137.05992	100.0
137.13303	6.2
139.14867	1.9
141.07033	2.1
142.07840	4.6
143.08586	9.0
145.10095	12.0
146.62704	1.8
147.11736	4.6
149.06010	9.3
149.09637	4.2
149.13281	2.6
151.07576	12.7
151.14944	2.4
155.07349	2.1
155.08528	9.6
157.10152	24.9
159.11711	9.4
163.07619	5.8
163.11191	3.7
165.09196	5.6
168.09456	2.8
169.10214	6.3
171.11795	6.5
173.13318	3.4
177.09174	3.9
178.08694	2.7
179.10776	6.3
181.10190	2.3
182.10959	3.6
183.11708	13.4
184.94371	1.9
185.13278	5.3
187.11214	4.1
187.14833	1.9
191.10675	2.9
193.12199	9.9
195.11736	4.3
196.12527	1.9
197.13315	13.3
199.14877	7.5
203.17979	1.9
205.12289	13.2
207.11908	2.0
207.13879	3.5
209.13239	3.4
211.14839	10.8
213.16370	3.7
219.13913	3.1
221.15396	2.5
223.14900	3.3
225.16452	7.0
227.18024	2.6
235.14801	2.1
237.16530	3.3
239.18156	5.5
249.18549	2.4
251.18091	4.9
253.19574	5.0
263.20139	4.1
275.20184	2.2
279.21252	2.9
281.22824	2.4
288.51941	1.9
293.22739	7.3
295.24246	3.5
307.24268	23.0
319.26486	3.0
333.60562	2.1
343.89822	1.9
345.27859	2.4
373.34766	2.3
383.33102	3.8
401.34207	96.1
406.05444	2.0
419.22577	4.5
419.36539	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.01854	2.2
55.05515	10.7
57.07066	7.9
65.03929	2.1
67.05495	3.4
69.06788	1.9
69.07081	20.4
71.08633	2.4
71.52213	2.9
71.52602	2.0
79.05504	5.8
81.07060	11.8
83.04974	5.0
83.08626	10.6
85.10179	2.5
91.05491	9.1
91.05956	1.6
93.07024	8.6
95.08607	10.2
97.10186	6.6
105.07039	5.6
107.08580	3.7
109.06521	24.9
109.10172	2.8
111.08085	4.0
119.08583	2.0
123.08085	3.0
123.11679	2.7
125.05949	4.5
137.05995	91.5
139.07562	3.3
151.07564	15.1
155.07042	4.6
159.90706	1.7
163.07597	1.9
165.09163	8.3
179.10732	6.3
191.10628	3.1
193.12231	8.4
199.14719	2.4
205.12297	2.3
207.13834	4.0
263.20181	1.7
270.36703	1.7
294.51572	2.0
305.24777	2.8
389.17688	4.0
401.34229	31.9
403.19174	3.4
404.20050	2.6
419.22778	28.7
419.35260	100.0
428.14999	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01858	2.7
55.05518	19.4
57.07068	4.5
59.15937	1.8
65.03958	4.0
67.05511	35.5
69.07079	18.7
69.94004	8.7
71.04990	3.1
77.03942	2.9
79.05496	70.3
81.07059	47.2
83.08613	7.3
87.00856	1.9
88.38760	1.8
91.04910	2.9
91.05484	51.8
93.07050	89.4
95.04976	6.8
95.08614	72.1
97.06546	25.9
97.10181	3.5
98.21517	2.4
103.05477	2.8
105.04532	1.7
105.07039	99.4
106.42665	2.1
107.04987	3.6
107.08600	100.0
109.06519	7.0
109.10164	35.9
111.04488	2.6
111.08099	2.6
111.11700	1.9
115.05507	2.2
117.07034	17.6
119.04927	2.0
119.08593	74.6
121.06519	6.9
121.10145	55.7
123.08070	5.0
123.11732	8.9
125.06004	3.9
125.09654	3.7
128.06184	2.5
129.06969	11.3
131.08580	31.2
133.06538	3.8
133.10138	40.6
135.08063	7.9
135.11703	27.9
135.59918	2.2
137.05960	3.8
137.09723	2.3
139.07558	11.2
142.07779	7.7
143.08583	22.3
144.09315	4.0
145.06477	2.7
145.10133	45.4
147.08025	3.4
147.11694	27.9
149.06021	5.3
149.09676	3.3
149.13275	32.5
151.07587	3.0
153.09119	7.5
155.08540	5.6
156.09377	6.0
157.10136	23.1
159.08041	2.7
159.11710	23.1
161.09633	2.7
161.13300	9.8
161.69160	1.9
163.07556	4.7
163.14848	6.8
165.07021	2.1
165.09132	6.6
165.12646	2.0
169.10185	3.1
171.08051	4.0
171.11702	23.9
173.09628	6.8
173.13298	18.9
175.11180	4.9
175.14893	9.8
177.09132	6.4
177.16393	3.7
179.10677	6.6
181.10114	3.2
183.11572	2.3
185.09648	6.0
185.13252	18.5
187.11169	5.6
187.14857	16.3
189.09097	4.5
189.12634	3.5
189.16386	16.0
191.10664	17.2
193.12236	3.2
195.11717	3.5
199.11194	7.1
199.14899	7.9
201.12752	2.3
201.16362	3.4
203.10664	6.2
205.12265	11.2
207.13910	3.3
209.13293	3.5
213.12767	3.9
213.16338	3.1
217.12250	16.7
219.13870	7.0
227.17949	15.5
229.19560	2.2
231.13858	5.7
241.15857	2.2
241.19492	31.9
243.20958	2.3
245.15483	2.2
249.01964	2.1
251.17976	2.5
259.20633	3.8
269.19089	19.8
285.14771	5.8
287.20084	47.1
292.53973	2.0
355.15588	4.4
373.16330	3.9
373.20490	2.6
383.14600	2.5
391.21136	8.4
401.15854	5.3
419.16489	2.5
419.32761	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	419.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27448	0.6
53.24360	0.6
56.18723	0.6
57.03416	1.4
59.04986	1.7
61.02924	3.2
69.03420	2.9
69.07071	1.0
70.06574	1.2
71.04980	2.9
71.50498	1.1
72.08138	0.8
73.02915	0.7
73.56340	0.6
79.05483	1.1
81.03419	1.8
81.04545	44.5
81.07052	8.1
83.06101	1.3
85.02904	4.9
86.09685	2.2
87.04478	1.1
87.08101	0.9
95.06090	0.9
97.02912	3.4
98.97548	0.9
99.05612	0.7
106.02943	0.8
106.06569	1.7
107.06136	0.8
107.06849	0.8
109.02838	0.8
115.03871	0.8
120.29593	0.6
121.02883	1.5
124.03941	4.2
124.07584	2.5
127.04073	1.7
127.05044	41.6
137.10733	2.2
149.02313	0.7
151.03859	1.9
163.12289	5.1
171.06590	0.7
179.11772	5.8
207.11258	4.0
211.14427	6.2
225.12344	12.5
239.13933	1.4
241.29218	0.7
257.14975	100.0
258.09796	0.6
258.15347	0.8
268.07956	1.6
297.73715	0.6
311.68884	0.6
401.14139	1.0
419.15143	27.4
419.20331	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	419.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01875	2.8
55.05510	17.9
57.03444	2.1
57.07074	6.0
65.03943	3.7
67.05512	31.5
69.03436	4.1
69.07074	21.1
71.05002	4.4
71.52372	2.5
73.02904	1.6
79.05498	61.7
81.03436	3.2
81.07063	61.1
83.04992	3.6
83.08639	11.8
85.06576	2.6
86.06204	2.1
89.06036	2.0
91.05486	52.2
91.81634	1.6
93.07051	80.7
95.04984	10.5
95.08611	70.5
97.06548	25.1
97.10172	6.2
100.11263	3.1
103.05466	3.9
105.04547	2.7
105.07040	100.0
107.04943	5.7
107.08602	94.1
109.06530	7.1
109.10170	37.1
111.04456	1.7
111.08101	5.2
115.05474	3.5
115.07581	1.9
117.07009	14.5
119.08594	70.7
121.06524	7.8
121.10159	54.0
121.11045	2.7
123.04411	4.2
123.08101	4.6
123.11723	11.7
125.05973	4.4
125.09606	2.5
128.06253	3.2
129.06976	9.1
130.07701	2.7
131.08594	32.7
133.06497	2.7
133.10144	41.1
135.08086	9.6
135.11713	24.6
137.05983	2.9
137.09654	3.1
137.13239	3.5
139.07564	8.7
139.11253	2.3
141.07027	3.1
142.07806	5.0
143.08594	21.7
144.09358	3.5
145.10132	40.5
146.06728	2.0
147.08102	3.2
147.11694	26.9
149.05981	6.2
149.09599	3.4
149.13271	30.2
151.07539	4.0
153.09082	9.9
155.08594	5.7
156.09373	5.4
157.10141	23.2
159.08041	3.3
159.11710	23.5
161.05952	2.5
161.09578	4.2
161.13271	9.3
163.07539	5.2
163.14844	5.5
165.09154	5.5
167.07066	6.9
167.08446	1.8
169.10066	2.6
171.08028	3.7
171.11703	26.5
173.09665	6.7
173.13268	15.9
175.07491	2.1
175.11169	4.2
175.14825	13.0
177.09134	6.7
179.08632	1.9
179.10646	3.1
183.11729	4.2
185.09641	3.7
185.13268	14.6
187.11195	3.3
187.14813	16.7
189.09122	3.9
189.12764	3.7
189.14897	2.7
189.16380	16.5
191.10722	14.8
193.12289	3.9
195.11766	2.1
199.11305	4.8
199.14827	8.8
201.12787	2.8
201.16397	6.2
203.10686	4.2
203.18010	2.9
205.12233	8.5
207.13899	3.6
209.07991	1.9
213.12694	4.2
213.16469	2.9
217.12321	12.3
219.13832	6.6
225.16496	3.5
227.17923	14.9
229.19696	2.8
231.13829	9.4
241.19522	31.5
243.21262	2.3
251.18111	2.3
259.20590	3.8
269.18994	16.0
285.14682	3.3
287.20074	35.0
315.08511	3.8
330.10855	4.2
331.04721	2.2
355.15204	2.2
366.69070	2.0
369.13614	2.2
390.20773	2.0
391.21103	7.3
401.15619	4.1
419.09756	5.0
419.16058	3.5
419.32852	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	419.1704
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.03947	2.1
55.05515	1.9
63.16449	1.4
67.05499	2.2
69.03407	2.3
70.06579	2.6
70.84555	4.2
72.47192	1.4
73.02911	6.7
79.05505	5.4
81.03416	4.5
81.07064	2.6
85.02917	3.9
91.05502	4.6
93.07046	3.4
95.04954	2.3
95.08617	2.8
97.02905	1.9
99.04431	1.8
104.87424	1.4
105.01904	1.7
107.04977	11.3
109.10150	1.8
118.64021	1.7
121.02879	1.9
123.04382	2.4
124.05229	2.6
129.07022	4.2
131.08582	4.8
135.11696	3.2
137.06004	3.3
144.05736	3.1
145.06500	4.1
147.04446	4.3
151.07555	2.0
153.12727	2.8
155.06078	1.6
155.10764	2.0
156.05698	5.2
159.08078	6.0
161.06030	2.2
162.51735	1.6
167.07047	50.0
173.06024	7.2
177.05432	2.0
181.05023	4.1
187.07578	5.2
190.06267	3.0
191.07074	3.2
198.04303	1.7
202.06374	2.3
205.08606	12.5
207.06454	2.9
208.05208	14.0
209.08069	2.3
217.08606	10.7
219.08157	3.9
219.10188	2.3
221.06027	2.6
224.04752	1.7
231.08022	2.1
231.10110	3.3
236.04756	6.5
247.07497	2.4
247.09715	6.9
248.08395	5.4
254.05731	5.7
256.24527	1.8
257.04645	2.3
263.07108	2.3
263.10822	2.9
268.03760	2.5
269.08151	18.4
271.06149	2.0
271.09641	2.8
272.06714	3.1
273.09311	1.7
276.07980	2.0
282.05588	3.6
282.08966	6.0
287.05545	40.1
287.08868	3.7
291.10214	4.5
292.07422	1.8
293.08112	2.6
304.05399	2.3
307.09616	4.2
308.10461	2.6
309.10983	2.2
310.08218	2.3
315.08618	77.2
319.09814	3.9
323.12775	4.2
328.09210	2.8
330.11005	100.0
331.11569	3.2
336.09854	3.3
337.10590	2.1
339.12311	4.2
343.11740	7.2
351.12280	10.5
352.13080	1.9
369.13400	8.7
371.15033	3.0
383.14954	12.8
401.16016	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90289	0.9
53.03948	10.2
53.67636	1.1
55.01876	9.4
55.05520	6.3
57.03441	9.4
57.07080	19.2
59.05005	10.9
61.02926	5.4
67.05508	12.4
68.99797	3.5
69.03439	37.6
69.07078	14.1
69.39600	8.4
71.01350	1.2
71.04996	7.7
71.08628	1.0
73.02930	8.2
78.73107	1.0
79.05496	3.1
81.03426	38.2
81.07062	9.8
83.04990	2.1
83.08627	3.8
85.02912	69.2
85.06549	10.9
87.00838	28.5
87.04493	1.9
91.03991	2.8
91.05485	2.7
93.07044	7.3
94.24909	1.0
95.04960	4.5
95.08616	63.6
97.02909	25.9
97.06521	6.6
97.10204	1.8
99.04459	14.8
99.08109	14.2
105.01871	20.2
105.07047	3.0
107.05000	1.2
107.08613	9.3
109.02888	38.7
109.06545	8.3
109.10170	17.0
111.08110	6.5
111.11732	3.3
113.09653	64.4
115.03936	4.8
117.01876	3.8
117.07005	1.4
119.08651	2.7
121.02906	3.0
121.06579	1.3
122.03227	1.2
123.04431	2.3
123.11726	3.3
124.25217	1.0
127.03932	58.0
127.11181	10.1
129.01854	3.9
131.48480	1.1
133.04988	1.6
133.10156	1.4
135.08182	1.3
135.11687	15.7
136.07632	1.7
137.09618	1.5
137.13258	9.4
139.03903	1.2
139.11168	1.1
145.04982	21.6
147.02911	4.3
147.04411	1.2
151.11172	2.0
153.12759	100.0
155.14325	30.3
159.02902	21.8
159.04092	0.7
161.04495	1.8
161.05916	1.1
167.07089	2.7
169.05161	1.0
171.13818	22.2
177.03987	2.0
177.12808	1.5
180.07690	1.1
195.13737	2.2
213.03859	2.3
213.14864	5.2
226.46016	1.1
231.05019	13.9
247.04655	1.3
249.06094	1.9
254.11383	1.9
279.16016	1.2
287.05539	11.9
296.08591	1.7
297.09442	1.3
299.10214	2.3
365.15793	2.0
373.13824	1.8
383.16867	1.6
419.19229	13.2
444.29080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.4
55.01869	8.0
55.05518	8.6
57.03440	4.2
57.07076	7.3
59.05010	5.1
60.04538	8.5
67.05503	11.2
69.03444	25.1
69.07080	9.6
70.06596	14.2
70.24289	3.1
71.05002	27.7
71.51398	4.7
72.08160	10.3
73.02927	3.8
73.65386	2.6
79.05505	12.0
81.03427	12.6
81.07066	31.7
83.04976	5.3
83.08644	6.3
85.02927	45.4
86.09723	29.7
87.00858	19.9
87.04484	5.3
90.81108	3.2
91.05492	13.0
93.07077	25.1
95.04971	7.5
95.08631	23.0
97.02931	24.8
97.06550	11.3
99.04506	5.3
99.08092	3.8
105.01898	18.3
105.07064	9.3
107.08628	24.5
109.02902	13.4
109.06504	5.4
109.10197	10.1
115.03947	8.3
117.07095	3.4
119.08626	14.8
120.08090	3.5
121.02906	6.9
121.06526	4.5
121.10150	3.6
123.04456	6.1
123.08047	4.8
124.04014	4.5
125.09632	4.6
127.03925	18.0
128.06244	4.0
128.10716	4.2
133.10181	4.5
135.08102	4.5
135.11734	29.8
137.02556	3.6
137.09618	4.9
137.13283	9.3
139.57051	3.4
145.04950	6.1
145.10110	6.5
147.08040	4.2
151.03972	3.4
153.09157	4.9
153.12773	100.0
153.65723	3.3
155.14311	5.3
159.02931	6.8
165.12840	4.1
167.07057	4.6
171.10091	4.1
171.13869	15.3
173.09660	7.2
173.12909	14.5
176.41644	2.7
177.05399	3.6
177.12848	4.0
191.07140	4.2
197.11665	3.2
200.76797	3.2
201.03941	3.6
218.10056	3.1
219.13518	13.9
231.05144	4.6
243.13824	6.2
252.46747	3.3
255.06456	5.7
257.07199	8.7
261.15015	3.6
287.05667	3.4
325.99734	3.0
335.55920	3.8
374.98050	10.2
383.16943	7.3
401.17657	4.1
419.18387	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	419.1704
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03941	5.2
53.69792	2.7
55.01630	4.6
55.01877	48.2
56.19568	2.5
65.03946	10.7
67.05521	7.8
70.06919	4.6
70.07308	4.9
78.04730	4.0
79.05499	13.1
81.07063	2.5
81.38443	2.2
85.02921	6.9
91.05500	9.8
93.03405	3.2
93.07059	4.8
95.04982	7.2
95.08615	3.7
97.02924	3.1
97.06560	4.2
103.05465	21.3
105.07056	12.7
106.04192	2.6
107.04959	22.0
110.03664	4.4
114.49530	2.3
115.05470	8.4
117.07024	6.4
118.04170	7.9
118.75956	2.3
119.04942	2.3
119.08611	4.3
121.06516	9.3
121.10200	2.2
123.04428	14.5
124.05214	2.5
125.06046	3.2
128.06252	5.5
129.07036	7.4
131.04919	19.7
131.08591	9.3
132.05710	3.2
133.06482	13.8
135.11755	2.4
144.05783	6.2
145.06517	6.7
147.04471	3.7
147.08025	2.8
148.05200	7.8
149.06006	15.5
153.05484	7.8
157.06491	4.3
159.08090	13.4
161.06006	13.6
163.07555	16.3
167.07063	80.3
168.07545	2.9
169.07605	4.4
171.06589	5.7
171.07973	4.7
172.05223	3.7
173.06032	6.5
175.07861	2.5
177.05493	48.6
181.04976	100.0
181.08537	4.0
183.06543	12.3
187.07544	12.9
189.09108	5.2
190.06268	5.1
191.07047	99.6
193.08673	11.1
203.07019	3.1
204.07903	4.0
205.08571	11.3
209.08119	86.0
217.08630	5.4
218.07268	2.5
219.08224	4.1
219.10066	11.9
221.07974	4.0
231.10118	4.3
239.00655	2.3
247.07506	4.5
247.09721	9.7
248.08234	4.5
249.11256	46.0
250.02875	2.4
250.06181	2.7
261.09381	3.2
264.07758	4.4
265.10889	5.6
276.07825	5.2
277.08646	2.8
279.10266	3.4
282.09119	2.7
291.10181	5.8
305.07782	3.0
307.09784	7.1
315.08713	10.0
320.51834	2.5
323.12814	3.8
330.10965	14.9
343.12079	2.2
351.12247	4.8
369.13373	21.7
370.14417	3.3
383.15167	4.4
387.14520	3.3
389.15842	8.2
401.16083	33.0
419.16913	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	418.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
61.02929	1.0
65.49557	0.4
69.03421	2.0
69.38673	2.2
69.39096	1.4
81.03414	0.9
85.02900	6.2
87.04458	1.2
89.06036	63.9
89.43752	0.5
97.02898	2.1
106.06558	0.6
107.07069	1.2
127.03906	0.5
133.08612	29.6
145.04950	0.6
151.09654	2.4
168.49017	0.4
175.03856	0.5
177.11226	5.0
195.12280	2.2
221.04433	0.9
221.13750	0.6
239.14902	100.0
240.15204	0.8
323.23517	0.5
338.63358	0.5
344.30569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01873	0.5
55.05505	0.6
57.03431	0.7
59.05011	0.3
61.02929	1.7
65.03945	0.5
66.30884	0.3
67.05499	0.6
68.59118	0.3
68.99782	0.4
69.03426	1.5
69.07061	0.6
70.06587	0.7
71.01334	0.5
71.04993	0.4
71.52170	0.5
73.02923	12.9
79.05474	0.8
81.03401	0.5
81.07047	1.1
83.05018	0.6
85.02913	1.5
85.06522	0.6
85.21719	0.3
87.00831	0.4
91.05482	0.8
93.07037	1.0
95.04948	0.4
95.08601	1.3
97.02881	0.7
97.06512	0.4
103.05469	0.6
105.03364	0.5
105.07020	0.8
107.04980	1.7
107.08589	1.0
109.02880	0.7
109.06506	0.3
109.10143	0.8
111.00784	0.8
115.03947	0.9
116.07090	0.6
119.08564	0.3
121.02882	4.0
121.06577	0.4
121.10242	0.3
123.08086	0.3
123.11733	0.3
127.03919	1.0
131.04965	0.4
131.08583	0.4
133.02870	0.6
133.06479	0.5
135.08020	0.4
135.11681	0.5
137.02354	0.8
137.05981	1.3
139.82735	0.3
145.04984	0.3
145.06488	0.7
145.10153	0.4
147.04388	1.3
151.03818	0.4
151.07542	0.4
153.01842	3.9
153.12744	0.6
157.06519	0.5
159.08081	0.3
161.05951	0.3
161.09558	0.3
163.03828	0.4
163.07611	0.9
165.01828	2.1
167.07065	3.1
171.04460	0.4
173.05977	0.7
175.03906	0.4
177.05478	0.4
181.04984	0.6
183.02971	0.8
185.06004	0.8
191.03358	0.4
191.07077	0.6
193.08510	0.5
205.08633	0.5
208.05249	0.6
209.08113	0.4
210.06743	0.3
213.05470	1.1
221.05969	0.3
231.06516	0.6
236.04794	0.3
241.04984	0.8
247.09755	0.5
257.17514	0.4
258.05209	1.4
259.06094	0.4
269.08105	0.6
283.05869	0.4
287.05515	100.0
288.05920	1.4
289.03030	0.4
299.05557	3.8
300.06265	1.1
304.05338	0.4
311.05560	0.7
313.07034	1.1
315.08572	2.9
323.05515	0.5
325.07098	1.1
329.06555	3.0
330.10928	4.0
331.02939	0.4
337.07162	0.7
341.06833	0.3
351.12405	0.8
353.06549	2.2
365.06409	0.7
383.07718	3.5
383.15070	0.5
401.08585	1.4
401.16446	0.7
419.09460	3.8
419.18704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86209	0.3
55.05518	3.6
61.02925	0.4
65.03961	0.8
69.03436	0.8
69.75304	0.5
69.75697	0.9
70.06594	0.4
73.06565	1.3
79.05496	0.4
79.22491	0.3
81.07097	0.4
84.08173	0.3
85.02924	1.6
90.62222	0.3
91.05481	0.3
91.07602	0.7
95.08569	0.4
97.02908	0.6
98.65815	0.3
99.04499	0.3
105.07046	0.4
106.06580	1.2
107.08652	0.4
121.02882	2.3
121.04092	0.4
124.03958	0.4
127.03928	0.6
129.07089	0.5
131.08562	0.3
132.26678	0.3
138.05466	0.4
145.04959	0.8
145.06583	0.3
149.02357	100.0
150.02684	0.6
153.12794	0.5
154.35846	0.3
161.06026	0.9
162.09993	0.3
167.03481	1.0
167.07060	1.9
168.07399	1.0
173.06081	0.3
175.07579	2.6
181.05025	0.5
181.10054	0.3
190.05055	0.3
203.07016	1.9
221.08115	39.5
238.18933	0.3
239.09146	1.4
365.12378	0.9
388.14664	0.5
413.29443	0.3
418.15622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83009	0.8
69.03420	1.4
69.29508	6.0
70.06578	1.3
71.05009	1.1
81.03415	1.2
81.07046	1.4
85.02899	1.7
91.05498	1.0
93.07064	1.0
94.56363	0.8
94.85854	0.7
95.04984	0.7
97.02876	1.6
105.07021	2.5
105.97325	0.8
106.06557	1.8
107.08554	1.1
109.02907	0.9
110.07110	0.8
110.10440	0.7
114.78043	0.8
116.07089	1.0
121.10106	0.8
123.04431	0.9
123.08012	0.9
127.03927	2.2
131.08473	1.1
133.10132	1.4
135.08014	2.2
140.04955	3.0
143.07127	0.7
153.09021	0.9
154.06499	1.5
155.06053	12.3
166.51082	0.8
167.06021	2.8
167.07086	3.1
168.07182	2.9
169.07619	25.2
170.06009	2.4
175.18321	0.8
179.06036	8.1
181.05040	2.0
181.07605	2.1
182.05997	0.8
182.08444	1.8
183.05565	14.2
183.09183	1.3
184.07690	1.1
185.07072	6.1
193.03714	0.9
193.07610	9.6
195.05544	23.2
196.06339	11.8
197.07132	17.5
198.05502	3.9
198.07339	1.1
201.06615	0.9
207.05545	5.5
208.06357	1.6
209.07117	3.6
210.07967	1.1
211.05092	3.7
211.08667	3.9
213.06595	14.1
221.07045	15.5
223.04938	2.3
225.06590	31.8
226.51451	0.8
229.06099	13.7
237.06580	3.4
238.07370	3.4
239.04439	2.5
239.08150	20.8
241.06096	3.1
243.07628	4.2
249.06586	6.8
253.06126	8.8
255.07661	1.1
257.05545	4.6
265.06213	1.0
267.07651	13.1
269.05603	3.3
271.07190	21.9
277.06088	9.7
283.07202	1.3
285.08716	26.9
286.97293	0.8
287.05615	1.1
295.07178	24.4
310.08020	1.4
312.09872	1.2
313.08194	30.2
331.09216	8.0
336.09811	1.1
340.09460	3.8
354.10941	2.5
358.05847	1.0
358.10327	31.2
372.11914	3.4
382.10281	5.7
400.11404	39.6
418.12415	100.0
419.12466	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03953	0.4
55.01867	0.4
55.84594	0.2
57.03435	0.7
59.05015	0.2
67.05503	0.3
69.03438	1.6
69.87596	0.2
70.06595	0.9
71.04983	0.2
71.51142	0.3
72.08154	0.3
73.02927	1.3
79.05491	1.9
79.70241	0.2
80.39713	0.2
81.03423	0.7
82.06602	0.3
84.08154	0.3
85.02910	1.7
85.79943	0.2
86.09704	0.4
87.04482	0.7
89.06046	0.3
91.05480	0.8
95.04983	0.4
96.04498	0.4
97.02896	0.9
99.04478	0.3
106.06564	100.0
107.06905	0.7
112.94304	0.2
115.03956	0.8
116.07064	0.4
118.06554	2.7
119.04919	0.2
120.08142	0.3
124.03965	1.4
124.07612	0.9
127.03949	0.8
130.06554	0.8
133.04991	0.7
134.05952	0.3
145.02884	0.3
147.04356	0.6
148.07596	0.9
158.03680	0.2
159.06445	0.2
160.07587	0.3
163.03871	0.6
165.07019	0.8
167.08592	0.4
169.65590	0.2
177.06985	0.3
178.07848	0.4
179.08501	0.4
193.06537	0.6
194.07204	0.2
195.08130	0.6
205.06438	1.1
207.08055	0.3
220.09761	0.5
221.05994	0.9
223.07629	1.2
233.06026	0.4
237.05550	0.4
238.10727	2.3
239.07112	0.4
249.05547	1.7
250.10854	0.3
251.07071	1.2
253.05051	0.3
256.11853	0.3
261.05551	0.4
263.07196	0.3
265.04947	0.3
267.06708	0.3
268.08273	0.7
268.11646	0.3
277.04956	1.6
279.06564	2.6
286.12906	0.5
289.04776	0.4
295.05972	0.8
305.04468	3.4
307.06021	1.8
323.05475	1.1
325.06976	0.3
333.03906	1.1
351.05023	4.1
365.06445	0.3
369.05923	0.8
382.09311	0.4
383.07715	1.8
400.09995	1.3
400.15079	0.3
401.08716	0.7
418.11194	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	417.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03943	1.6
54.47344	0.7
55.05513	10.0
57.07085	8.8
60.19421	0.7
65.03938	2.0
67.05511	38.8
69.06693	1.1
69.07076	22.1
69.07449	0.7
70.63493	1.8
70.63840	0.8
71.08639	11.3
79.05501	6.7
81.07065	67.6
83.08630	5.9
85.10187	7.0
91.05474	2.6
93.07058	7.3
95.08617	68.6
97.10200	2.1
105.07053	4.5
107.08605	7.3
109.10166	100.0
111.11743	2.5
112.38170	0.7
119.08601	2.2
121.10114	4.6
123.11719	68.5
128.06265	1.1
129.07014	1.6
131.08597	2.5
133.10158	1.7
135.11673	4.6
137.13266	17.5
142.07753	1.3
143.08589	4.5
144.09370	0.9
145.10155	2.2
147.11682	1.0
149.13292	2.6
151.14790	1.0
155.08534	3.9
157.10164	8.7
159.11714	1.5
161.13254	1.3
163.14816	4.8
165.16406	97.8
169.10130	2.3
171.11731	2.5
176.34984	0.8
182.10919	1.0
183.11693	5.9
185.13272	3.1
195.11717	2.4
196.83153	0.8
197.13298	3.1
199.14850	5.6
209.13310	1.3
211.14816	4.0
213.16437	1.2
219.21046	1.0
223.14836	1.3
225.16417	4.0
235.14934	1.1
237.16374	1.5
239.17944	1.2
249.16432	1.2
251.17896	6.0
252.18681	0.9
253.19562	3.5
279.21173	2.2
281.22592	2.0
291.21112	6.5
293.22687	3.0
305.22647	9.7
333.25894	1.6
417.35184	26.8
433.16971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.3
55.05508	7.5
57.07069	10.3
65.03920	2.8
67.05514	37.4
69.07079	17.4
70.63737	6.8
71.08643	12.3
79.05489	3.6
81.07065	64.8
83.08609	6.4
84.65841	2.5
85.10181	6.5
91.05525	2.7
93.07056	6.6
94.65347	2.6
95.08618	61.2
97.10183	3.7
105.07004	6.3
107.08601	5.8
109.10171	95.1
111.11738	2.7
119.08620	5.4
121.10142	5.1
123.11726	63.3
125.86167	2.4
135.11745	3.6
137.13272	12.5
140.18481	2.5
143.08595	3.2
145.10139	5.8
155.08559	5.8
157.10149	9.3
163.14903	3.0
165.16409	100.0
183.11691	6.5
199.14877	4.9
209.13388	2.4
211.14841	5.9
219.21294	2.4
223.14961	3.1
227.66068	2.3
235.14983	3.0
251.17957	6.9
281.22757	2.8
291.21091	2.9
305.22800	11.3
346.28802	2.5
417.35233	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	417.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11998	1.2
55.05515	14.2
57.07082	10.7
62.07069	1.2
67.05509	44.4
69.07076	33.7
70.31451	1.1
71.08648	11.8
71.12574	2.8
79.05505	9.3
81.07066	73.6
82.41567	1.3
83.08624	11.0
85.10175	7.0
91.05468	3.9
93.07060	7.3
95.08615	69.3
97.10175	4.7
105.01787	1.3
105.07019	5.3
107.08591	8.3
109.10165	100.0
111.11716	2.8
117.07016	1.3
118.95007	1.2
119.08561	2.8
121.10142	4.6
123.11714	62.3
129.07060	3.0
131.08598	3.0
133.10193	1.4
135.11678	3.3
137.13257	20.4
141.06982	1.6
142.07765	2.8
143.08588	5.5
145.10141	2.3
149.13252	1.9
155.08586	6.1
157.10112	9.2
159.11722	1.6
163.14792	2.9
165.16406	83.8
168.09512	1.9
169.10118	5.1
171.11748	2.8
173.37576	1.5
179.08577	1.8
181.10135	4.4
182.10872	1.7
183.11697	10.6
185.13306	3.3
187.14783	1.6
195.11740	8.3
196.12416	1.6
197.13254	6.4
199.14850	4.3
207.11717	3.2
209.13257	9.5
210.55319	1.2
211.14835	6.8
221.13327	3.6
223.14883	5.6
225.16446	4.9
235.14835	10.3
237.16397	3.4
239.18024	1.8
249.16475	9.5
250.17209	12.1
251.17880	7.7
253.19601	4.1
263.17889	1.5
277.19504	3.4
279.21130	2.1
281.22726	3.1
291.21024	4.2
305.22632	7.6
354.63547	1.2
405.41888	1.3
417.35196	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19695	0.9
53.29519	0.9
55.05274	1.1
55.05513	15.0
57.06878	0.8
57.07079	7.8
57.87559	0.9
67.05516	8.7
69.07072	28.6
71.04991	0.8
71.08633	4.9
71.51856	1.2
74.16714	0.9
77.08199	0.9
79.05497	4.7
81.07065	23.8
83.08626	15.7
85.10172	2.7
91.05466	3.4
93.07048	6.4
95.08612	21.6
97.10164	10.8
105.07032	5.2
107.08585	7.4
109.10163	14.8
111.11729	7.9
119.08587	3.6
121.10148	4.1
123.11722	10.7
125.13223	1.2
128.06190	1.8
129.07004	8.2
131.08577	1.3
131.34177	1.1
133.10167	2.4
135.11703	4.8
137.13235	7.1
141.06989	3.3
142.07785	20.1
143.08530	3.3
145.10138	2.1
147.11707	2.9
149.13268	2.2
151.14836	1.8
153.07024	1.8
154.07814	1.4
155.08571	24.6
156.09410	2.1
157.10139	100.0
159.11711	2.9
161.13271	1.9
163.14749	1.3
165.07088	3.7
165.16389	6.6
166.07785	1.5
167.08585	4.0
168.09354	3.5
169.10155	6.6
171.06476	1.2
171.11729	7.0
172.96985	1.1
173.13286	1.3
177.16432	1.3
179.08551	5.6
180.09315	4.5
181.10112	7.2
181.29689	0.9
182.10913	3.6
183.11710	15.7
185.13303	2.6
192.09352	2.0
193.10188	5.9
193.11659	0.9
194.10902	5.3
195.11710	24.9
196.12381	1.7
197.13295	11.1
201.18585	1.2
206.10918	2.3
207.11755	7.8
208.12405	4.5
209.13283	18.3
211.14799	7.8
219.11722	1.8
220.12357	2.3
221.13257	19.8
223.07976	1.0
223.14801	16.9
233.13153	1.7
234.14162	1.1
235.14832	10.0
235.84363	1.2
237.16389	2.7
249.16447	11.5
250.17160	3.6
251.18015	6.9
263.17966	3.2
265.19501	1.6
277.19366	5.6
278.98611	0.9
279.21246	1.5
291.21088	3.7
293.22681	1.4
305.22595	5.1
399.32825	1.1
417.35205	58.7
418.35284	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.05519	9.8
57.07080	9.8
61.28897	0.8
63.04129	0.8
67.05511	39.5
67.15370	0.7
69.03428	1.9
69.07074	26.3
69.16114	2.5
69.16537	6.3
71.08636	13.2
79.05492	7.7
81.07063	72.6
83.08625	8.2
85.06551	28.6
85.10192	6.4
89.06039	0.8
91.05485	3.9
93.07037	7.4
94.30115	0.7
95.08615	70.3
97.02908	0.7
97.10178	3.0
105.07046	5.3
107.08602	9.7
107.13548	0.7
109.10165	100.0
111.08087	8.8
111.11720	3.0
117.07020	1.2
119.08588	3.6
121.10168	6.2
123.11716	71.1
128.06184	0.9
129.07001	3.2
131.08574	3.2
133.10139	4.6
135.11725	5.5
137.13258	19.2
141.06940	1.3
142.07793	4.1
143.08522	4.3
145.10165	4.0
147.11684	2.6
149.13252	2.8
151.07581	1.4
151.14670	1.0
155.08615	4.6
157.10150	19.1
159.11717	7.2
163.14825	2.9
165.16406	96.6
166.16743	1.4
169.10130	2.4
171.11699	2.6
173.13214	1.0
177.16309	0.8
183.11699	7.8
185.13269	3.0
195.11766	2.1
197.13255	3.0
199.14870	5.5
203.18051	1.1
205.19566	2.5
209.13326	2.4
211.14871	5.5
213.16434	2.6
217.19518	1.1
225.16415	4.4
237.16501	1.6
239.17953	1.7
249.16327	1.7
251.17903	5.4
252.18690	1.1
253.19574	3.0
279.21042	1.8
281.22675	2.6
291.21088	5.4
293.22678	3.0
305.22659	9.9
365.12155	0.9
417.35071	42.6
418.35669	1.6
427.39203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.0
57.07084	9.8
57.52762	1.7
59.22244	1.9
67.05183	2.6
67.05515	35.2
68.62263	1.7
69.07076	23.0
71.08652	11.5
71.52748	2.1
71.90821	1.7
79.05507	6.6
81.06590	3.9
81.07065	64.0
83.08630	5.2
85.10181	7.5
91.05487	4.0
93.07045	5.7
95.08615	66.2
97.10130	3.4
101.21675	1.7
105.07027	6.2
107.08597	8.2
109.10167	100.0
121.10152	6.7
123.11722	70.1
128.06227	1.8
129.07063	2.3
131.08583	3.7
135.11708	6.4
137.13274	20.2
141.33792	1.8
143.08548	3.1
144.69960	2.0
145.10167	3.9
149.13242	2.1
155.08586	4.5
157.10146	7.4
159.11717	2.7
163.14769	4.5
165.16409	95.4
169.10130	4.0
171.11763	2.3
181.10098	2.4
183.11736	3.5
195.11723	2.3
197.13228	2.3
199.14735	2.2
211.14838	5.8
213.16429	2.4
225.16447	4.1
237.16400	3.4
251.18004	6.4
253.19490	3.2
279.21091	2.5
291.21100	7.2
305.22586	6.9
342.34451	2.0
359.12750	3.3
372.13770	3.1
373.14572	5.0
374.15524	4.1
387.15994	7.5
388.16757	4.1
389.17581	2.9
401.17633	5.4
402.18478	5.6
417.16953	58.4
417.21024	38.7
417.29434	3.8
417.35117	33.4
418.17307	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	417.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45673	1.1
53.03942	2.2
55.05514	11.5
56.30630	1.3
57.03443	5.8
57.07074	5.4
60.15335	1.2
61.92870	1.2
65.03960	2.3
67.05508	59.2
69.07069	11.0
71.08633	3.2
71.52118	1.3
71.52474	1.2
77.15131	1.1
79.05495	16.7
81.03434	2.4
81.07062	71.9
83.04941	1.4
83.08630	8.6
85.06543	2.4
85.10196	2.1
91.05491	14.5
93.07047	18.6
95.04953	2.8
95.07996	1.8
95.08613	58.2
97.06545	4.4
97.10168	5.7
98.98473	81.7
99.08062	1.6
104.25344	1.2
105.07038	8.7
107.08603	12.9
109.06544	1.2
109.10161	34.6
109.12495	1.2
111.08073	6.1
119.08577	11.3
121.10149	12.5
123.08019	1.7
123.11711	16.6
125.53004	1.2
127.11213	1.3
133.10127	10.7
135.11705	8.2
137.09627	1.5
137.13281	7.6
139.11282	1.4
147.11696	6.2
149.13269	7.5
151.14806	5.8
153.12749	1.3
155.01050	100.0
161.13304	6.1
163.14841	7.4
165.16382	7.9
167.14421	1.5
175.14833	5.5
189.16409	2.3
203.18097	1.6
207.07726	1.3
245.22676	25.1
263.23718	54.5
332.88553	1.3
369.88733	1.2
417.34937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Machillene
Peak:m/z	Relative Intensity
53.14713	7.4
55.05517	15.3
57.07060	11.7
57.49947	6.8
64.80090	7.0
67.05492	25.4
69.07061	17.2
74.66290	7.0
77.39610	6.6
77.88413	7.1
79.05492	22.5
79.79151	7.4
80.11142	7.1
81.07071	61.2
91.05491	44.6
93.07055	44.3
95.04934	10.1
95.08606	51.0
105.07053	64.1
107.08604	56.4
109.06527	100.0
109.10163	42.3
111.08064	9.1
117.07019	19.3
119.08592	58.5
121.10141	56.3
123.11732	47.6
128.06247	7.9
129.07016	13.4
131.08549	28.1
133.10141	47.6
134.63889	6.6
135.08076	15.1
135.11685	31.0
142.07811	17.2
143.08586	34.8
145.10139	53.9
147.08018	10.2
147.11667	8.0
155.08543	14.5
156.09332	12.1
157.10172	38.6
159.08127	9.0
159.11659	20.5
161.09578	15.2
165.16426	22.5
169.10172	29.7
171.11684	23.4
173.13295	20.5
175.11252	7.7
175.14784	21.5
177.96530	7.3
181.10162	12.8
183.11746	32.8
183.54030	6.6
185.09619	9.1
185.13248	14.6
187.14783	12.2
195.11691	20.3
197.09598	7.8
197.13295	11.5
199.14897	11.8
207.11620	13.6
209.13234	18.7
211.11353	8.5
211.14813	17.2
220.12361	10.3
221.13228	16.8
223.14841	17.9
225.16345	12.1
231.11696	7.2
231.17245	12.7
233.13239	7.9
239.17914	12.2
249.16339	12.7
253.15756	9.5
267.17612	8.8
277.15665	7.9
295.16980	10.1
359.23889	11.8
375.26712	9.9
399.26770	13.3
417.27771	81.6
417.33539	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	416.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01834	0.2
65.03976	0.2
67.05502	1.0
71.30204	0.3
78.30100	0.2
85.02924	0.3
94.06576	4.7
96.04427	0.2
98.97610	0.2
100.07633	0.7
106.06548	1.9
115.53589	0.2
122.06033	4.4
127.03996	0.2
129.31879	0.2
130.96329	0.2
150.05513	100.0
151.05869	0.7
151.67447	0.2
152.05733	0.2
168.06569	39.1
169.06859	0.3
245.48686	0.2
322.42807	0.2
416.11108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62133	0.8
57.03439	1.2
59.05007	49.7
61.65271	1.0
67.05498	1.0
69.03435	2.0
69.07065	1.9
70.06593	1.8
70.81817	0.8
71.52478	1.2
72.08179	1.9
73.06595	1.4
78.94662	0.9
79.05508	1.2
81.07059	1.0
82.06567	2.3
86.09702	3.8
87.04492	5.0
88.73592	1.0
89.06039	100.0
90.06402	1.0
93.07056	2.4
100.07619	1.3
103.05460	1.0
103.07607	4.4
105.07035	1.5
107.04959	1.3
107.07086	1.3
107.08611	1.2
109.02901	1.0
117.07069	1.0
117.09141	3.1
117.56969	1.0
123.04471	1.2
128.07094	2.3
131.07126	1.2
133.08618	53.7
135.08011	1.1
147.10196	1.2
149.09621	1.1
152.90665	0.9
161.11710	2.3
165.04800	1.2
165.13036	1.0
167.07053	13.1
173.06035	2.0
177.11253	23.2
181.05005	3.1
185.42694	0.9
195.12274	4.0
221.13878	1.6
225.11267	1.1
239.14842	4.6
247.08202	0.9
254.08189	1.7
269.10477	2.4
283.17529	47.7
341.21777	17.9
387.14517	1.6
398.12625	1.4
399.25876	15.4
416.13248	13.5
417.15802	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	416.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	16.9
57.03425	5.2
58.67532	2.9
59.04992	8.8
61.13287	3.1
64.75838	2.5
67.05502	8.4
69.07076	17.9
71.52586	2.6
73.05937	2.6
74.62230	2.8
78.69207	3.2
79.05472	6.6
81.07063	25.8
83.08619	6.0
91.05474	11.1
93.07039	11.3
95.08611	20.3
97.06525	7.1
97.10177	26.5
99.04406	3.0
99.36029	3.3
105.07029	21.5
107.08581	16.4
109.06509	11.2
109.10132	11.1
119.08586	100.0
120.08922	50.6
121.10134	15.6
123.08077	8.7
123.11716	10.7
125.09634	5.4
131.08578	3.8
133.06534	3.5
133.10126	9.1
135.11671	5.6
137.09554	3.5
137.13222	3.4
139.11128	4.9
143.10651	4.0
145.10107	5.5
145.25453	2.7
147.11691	38.4
149.09666	3.7
149.13336	3.9
151.11205	4.4
157.12242	5.3
159.11653	9.3
161.13269	8.6
165.08961	3.1
165.12752	22.5
171.10149	6.3
175.11172	5.7
179.14247	3.9
193.12256	14.2
197.13152	3.5
219.10300	3.3
229.14311	21.1
243.15866	6.0
279.09610	3.2
285.22018	5.2
295.20709	3.2
303.23013	8.7
313.21561	10.3
321.24246	4.8
330.05762	3.3
331.22702	38.6
341.96439	3.7
349.23767	27.0
363.25104	4.9
363.38290	3.4
367.24829	16.1
381.26483	18.6
416.13443	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.7
57.07080	12.2
65.03944	2.2
67.05512	43.2
69.07081	17.8
69.20214	14.8
71.08639	11.8
72.37894	1.6
79.05499	6.1
81.07066	60.1
83.08619	7.9
83.35905	1.7
85.10173	4.9
91.05495	4.5
92.32598	1.6
93.07055	7.1
95.08617	70.2
97.10207	2.0
98.21529	3.7
105.07021	5.4
107.08580	10.1
109.10165	100.0
111.04229	1.7
111.93635	1.5
119.08596	34.4
121.10147	5.9
123.11721	58.9
129.07007	3.7
133.10153	3.4
135.11710	2.3
137.13237	12.6
142.07806	4.5
147.11688	3.0
149.13280	3.7
155.08603	5.2
156.09335	1.3
157.10156	19.3
159.11693	3.5
163.14792	2.1
165.16409	75.8
169.10179	1.5
176.27235	1.4
176.98611	1.6
177.12712	4.5
179.08560	3.3
181.10141	3.6
182.11032	2.0
183.11681	5.1
185.13211	1.7
193.10139	3.4
194.10916	3.8
195.11659	7.4
197.13290	6.1
207.11673	4.0
208.12648	2.9
209.13254	5.6
211.14906	2.6
213.16432	1.7
219.11684	3.4
221.13322	5.0
223.14928	10.4
233.13290	2.2
234.14055	2.9
235.14925	8.7
245.48854	1.8
247.14890	4.2
248.15645	1.6
249.16367	14.9
250.17191	4.9
251.17958	5.1
261.16489	2.1
275.17996	1.8
277.19617	3.1
289.19507	2.7
291.20978	1.9
303.21149	5.7
325.62473	1.6
397.30936	2.4
415.29758	34.4
415.33701	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3209
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.05498	5.7
55.49595	1.5
55.68156	1.3
57.07082	3.4
67.05502	10.1
69.03410	3.2
69.07079	8.3
69.63731	1.3
69.70295	8.8
79.05485	3.0
81.07064	16.6
83.04965	1.5
83.08611	4.6
85.06538	2.2
91.05473	6.2
93.07050	16.0
95.04938	1.7
95.08613	23.0
97.06525	4.6
97.10138	2.4
99.04484	1.5
105.07034	11.9
107.08591	22.7
109.06512	5.9
109.10175	19.9
111.08066	2.5
114.74189	1.4
117.07032	3.6
119.08585	47.7
121.06511	3.8
121.10161	14.0
123.08088	3.4
123.11706	8.5
131.08565	5.1
133.10133	14.6
135.08046	1.9
135.11670	10.2
137.13197	2.2
139.11209	2.0
144.09352	2.7
145.10143	12.5
147.11668	13.3
149.09618	2.8
149.13287	7.0
151.11172	4.6
157.10187	4.4
159.11699	19.2
161.09659	2.0
161.13264	6.2
163.14822	2.2
165.16380	2.9
171.11653	4.0
173.13269	6.6
175.11224	2.8
175.14847	4.0
177.12741	13.1
177.16391	1.8
185.13260	2.2
187.14816	5.0
189.16370	3.0
191.14308	4.1
201.12735	1.8
201.16374	4.4
203.14339	2.1
203.17999	2.8
213.16344	2.0
215.14258	1.6
215.17955	1.4
217.15741	1.9
229.19418	2.4
245.19086	2.2
245.34601	1.5
255.21123	2.0
259.20624	2.1
297.25165	1.6
338.33136	1.5
339.26471	2.0
365.02356	1.4
379.29916	12.7
397.31033	44.8
415.32098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31222	1.3
55.05527	9.8
57.07079	6.2
61.10734	1.2
67.05174	2.3
67.05511	24.5
69.07070	16.0
71.08635	4.7
71.54045	2.6
79.05486	4.2
81.07065	33.9
83.08636	5.5
85.10181	4.1
90.38918	1.4
91.05487	5.4
93.07042	5.9
95.08615	42.3
100.22916	1.6
105.07064	4.3
107.08604	8.2
109.10168	48.1
111.11765	1.4
119.08591	35.1
121.10158	4.2
123.11725	34.7
133.10172	2.1
135.08028	2.2
135.11740	3.3
137.13283	7.1
142.07784	1.6
145.10146	3.0
149.13252	3.0
155.08609	2.2
155.59166	1.5
157.10139	10.7
159.11707	3.2
163.14977	1.8
165.16414	17.9
169.10213	3.3
171.11758	1.5
173.55861	1.2
175.14862	2.0
179.08536	2.5
181.10088	4.1
183.11751	3.2
193.10164	6.1
194.10954	3.8
195.11708	9.4
197.13318	4.0
201.30847	1.5
206.10948	1.7
207.11772	4.8
208.12596	1.9
209.13286	9.5
211.14882	4.0
219.11739	4.5
221.13286	3.2
222.14186	2.3
223.14752	12.5
233.13298	2.4
234.14110	6.0
235.14876	9.2
247.14890	4.4
249.16423	17.4
250.17210	5.1
251.18088	3.2
261.05341	1.5
261.16418	2.1
263.18021	2.1
277.19540	2.8
289.19485	2.2
291.21259	2.1
303.21155	6.9
320.63745	2.0
331.24323	1.9
397.31238	2.5
415.29013	4.9
415.33655	100.0
416.34183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19955	0.4
53.03956	0.5
55.01885	0.6
55.05504	0.4
67.05490	0.4
69.03432	0.9
69.56429	2.6
70.06578	1.2
71.27470	0.4
72.08144	1.1
73.02940	0.5
73.06567	2.0
79.05484	1.0
81.03431	0.6
81.07075	0.6
83.04980	0.5
84.01340	0.4
85.02908	1.7
85.68129	0.4
86.09708	2.1
87.04471	4.6
89.06038	100.0
90.66683	0.5
91.05496	0.7
91.07597	0.6
93.07036	1.1
95.04989	0.5
105.07065	1.7
107.04939	1.1
107.07091	1.3
107.08626	0.7
109.02896	0.5
119.08598	0.9
121.10154	1.7
125.06009	0.6
130.08685	1.2
131.04874	0.6
131.07056	2.1
133.08615	49.9
135.10132	0.5
149.09634	9.3
151.09674	0.7
151.11108	0.5
161.09668	0.7
167.07071	1.7
177.11232	12.2
177.12694	0.9
181.05014	1.0
189.99399	0.5
196.38611	0.5
209.11853	0.5
217.16080	0.5
221.13846	1.6
235.16965	1.2
239.14847	0.5
265.16528	0.4
327.20117	1.0
371.22763	0.8
415.23373	2.4
416.52048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.6
67.05489	9.8
69.07056	3.0
71.08639	12.7
71.52222	2.5
79.05485	9.4
81.07072	10.3
83.05005	4.4
85.57602	2.4
91.05481	9.5
93.07039	15.3
95.04917	2.8
95.08582	12.1
97.06542	5.1
99.08087	6.1
100.18076	2.3
105.07037	5.3
107.08587	8.9
109.10138	2.9
119.08588	6.3
121.10144	8.8
133.10086	4.1
135.11700	8.5
139.24977	2.2
151.11156	4.6
159.30434	2.1
161.13298	4.6
176.08131	2.0
179.14346	32.9
208.17664	2.5
277.21628	28.6
328.05267	2.8
351.25330	100.0
351.29657	4.8
414.12589	15.5
414.30615	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	415.1004
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
71.50819	3.7
75.31337	2.5
76.51202	2.6
94.84692	2.6
415.10013	100.0
415.22330	3.0
416.10367	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1007
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
53.01867	2.4
56.96566	5.5
57.03435	3.7
61.02934	5.4
69.03436	15.0
69.07074	3.5
70.06598	5.1
71.50357	3.6
72.08144	3.2
81.03415	4.3
82.06611	3.3
83.80849	2.5
84.08154	4.7
85.02908	11.7
86.06065	3.7
86.09729	7.3
87.77441	2.4
97.02906	8.7
98.97594	27.4
100.07611	6.2
100.93814	2.3
101.00917	2.6
110.39336	2.4
110.97528	3.2
115.03960	3.4
116.07117	4.4
116.21711	2.3
116.98608	7.7
119.01941	3.9
119.04977	3.3
121.02924	4.2
125.03429	2.6
127.03945	7.3
128.98544	2.9
131.01773	2.5
133.03452	3.4
136.06142	4.3
137.06006	5.1
143.01900	3.0
145.04967	4.1
145.88745	2.3
146.08119	7.2
147.04443	8.3
150.05528	8.6
152.04514	3.3
152.05699	3.0
155.01854	2.6
157.03639	2.9
158.99681	4.4
161.02943	3.0
166.08615	3.8
177.00790	3.1
185.03001	5.2
188.10631	2.5
219.01784	6.8
227.06795	10.1
235.02928	4.0
237.02744	5.3
237.06274	2.8
284.12430	4.2
284.87903	2.7
295.04724	2.7
385.51630	2.7
398.20590	4.2
415.10016	100.0
415.22934	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	415.2329
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.03949	8.3
55.01864	9.8
55.05508	11.8
57.03443	16.8
57.07070	4.8
59.04999	7.2
61.02924	12.2
67.05515	36.9
69.03437	35.7
69.07068	46.5
69.51655	9.3
69.52065	6.8
71.04990	10.0
73.02915	6.9
73.06546	4.6
79.05508	24.1
80.44225	2.6
81.03439	17.6
81.06593	4.8
81.07059	59.4
83.04980	15.2
83.08641	3.2
85.02912	100.0
85.06552	16.7
89.06020	5.0
91.03963	3.1
91.05480	15.6
93.07054	33.6
95.04964	9.6
95.08605	28.7
97.02892	24.9
97.06541	40.1
99.04463	9.7
99.08121	3.0
101.06001	3.4
105.07035	45.8
107.08607	49.8
109.02908	7.5
109.06536	20.3
109.10166	93.6
111.08093	7.7
113.06033	8.9
115.05502	3.2
115.07600	5.0
117.07027	7.8
119.08590	38.7
121.06536	5.3
121.10143	25.2
123.08067	16.5
123.11732	7.7
125.05998	10.9
125.09617	6.8
127.03933	17.5
127.07600	3.2
128.15977	2.7
129.06992	4.1
131.08554	16.5
133.10133	42.4
135.08076	5.6
135.11697	9.9
137.09622	29.4
143.07068	15.6
143.08603	4.9
145.04976	13.4
145.10150	18.0
147.08044	5.1
147.11716	45.5
149.09639	30.9
149.13257	21.2
151.11182	10.6
153.08995	2.9
153.71822	2.6
157.10104	13.1
159.11691	23.6
161.09657	9.3
161.13254	8.1
163.11200	10.0
165.09064	3.0
165.12770	15.8
167.07043	8.6
167.10712	15.4
171.11693	2.7
173.13280	9.5
175.11177	11.6
175.14877	11.4
177.12779	8.8
179.10689	52.3
181.04895	4.6
187.14844	7.8
189.16405	12.0
191.10757	3.8
193.12320	3.3
193.15881	3.4
199.14825	9.9
205.15907	10.4
207.17596	3.1
217.15880	23.7
223.17001	9.9
235.16936	38.3
253.17986	54.9
354.16263	3.6
385.34430	2.9
415.10477	3.9
415.14999	4.5
415.23233	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	414.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.0
55.05517	4.5
56.64418	1.9
57.03441	22.7
59.04997	6.2
61.02921	9.0
65.37146	1.9
67.05499	2.9
68.31355	1.8
69.03435	75.1
69.07056	3.4
69.74146	8.9
71.01357	2.4
71.05006	3.3
73.02924	14.1
75.04481	1.9
75.81800	2.1
79.05497	3.9
81.03425	14.0
81.07050	3.5
83.04990	5.2
85.02914	100.0
85.06557	26.9
86.03233	1.8
86.09675	4.2
87.04471	43.4
91.03957	5.8
93.07033	3.3
95.04929	4.3
97.02898	69.2
98.97630	3.2
99.04454	4.9
103.07585	3.8
106.06548	2.2
107.08633	2.9
109.02895	7.8
109.06525	3.8
110.06071	4.8
111.04438	2.7
115.03938	71.5
119.04996	2.7
121.02883	3.4
123.08118	2.6
127.03929	24.9
133.04980	91.3
135.08046	4.3
145.04967	46.7
147.04398	10.4
150.07628	9.2
151.07607	2.2
153.09122	7.6
163.06042	15.2
163.07399	3.1
181.08524	3.0
199.09689	24.3
217.10701	6.5
229.10687	13.9
241.07095	4.2
252.12379	3.4
259.08115	7.1
277.09256	3.6
282.35135	1.9
293.15033	3.5
295.10242	5.2
414.17285	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40808	1.2
51.95298	1.2
55.05500	3.6
55.81580	1.3
57.03450	2.1
65.82768	1.2
67.05505	9.9
69.07063	2.4
69.66283	2.8
69.66695	4.9
70.44307	1.3
71.08633	12.6
79.05494	9.8
81.03420	1.6
81.07059	12.0
83.04965	1.9
83.08627	2.8
85.06517	1.6
88.71381	1.2
91.05476	6.7
93.07039	12.9
94.47605	1.3
95.04955	2.1
95.08610	9.0
97.06529	5.9
99.08097	9.1
105.07034	5.8
107.04951	1.9
107.08607	8.8
109.10143	3.0
119.08563	7.6
121.10146	6.5
133.10121	4.2
135.11708	7.2
141.09116	1.4
149.13220	3.4
151.11220	2.8
159.11751	1.5
161.13260	2.1
163.11177	2.2
179.14322	29.8
185.13277	1.3
189.12698	1.4
259.20508	2.0
262.92252	1.4
277.21652	20.5
285.03403	1.8
288.05676	1.9
314.07172	2.0
316.05289	2.4
317.06607	1.7
327.04703	2.0
328.05185	4.3
351.25299	100.0
370.10040	3.7
396.29538	1.4
414.12704	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.43689	0.3
55.01885	0.3
55.05518	2.6
56.05037	0.5
57.03434	0.8
61.02940	0.4
62.86819	0.3
63.83686	0.3
69.03438	0.9
69.30538	0.7
69.30948	2.2
70.06600	1.6
72.08155	0.4
73.02934	0.7
74.06081	2.1
81.03395	0.3
83.08627	5.4
84.08155	0.4
85.02901	2.6
86.09733	0.3
89.23003	0.3
91.84552	0.3
95.04975	0.4
95.95807	0.3
97.02919	1.3
98.21552	0.6
98.59051	0.3
98.97651	0.3
101.09664	4.7
102.05540	1.2
110.06067	0.4
115.03928	0.5
119.03557	2.9
119.10715	1.7
120.05685	0.3
120.06584	8.3
127.03932	0.7
133.04965	0.4
136.06200	100.0
137.04578	1.1
137.06575	0.5
145.04979	0.4
150.07785	0.5
162.04128	62.7
163.04086	0.4
177.05486	0.7
182.99692	1.2
191.67825	0.3
201.00769	0.9
235.10188	0.3
240.84802	0.3
248.89240	0.3
251.14500	0.4
265.87601	0.4
268.10428	1.1
281.09955	58.6
282.10156	0.4
351.04163	0.3
367.08167	0.4
369.05600	0.5
413.04865	3.6
413.13623	0.7
413.19263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
51.00324	0.7
55.05509	2.3
57.07064	0.9
60.52568	0.8
65.17145	0.7
67.05503	4.2
69.07076	6.4
69.18098	7.9
75.87389	0.6
77.29097	0.7
79.05502	2.2
79.36615	0.7
81.07063	9.3
83.08617	2.2
83.16962	0.9
87.04546	0.9
93.07050	3.9
95.08617	23.1
105.07066	1.5
107.08620	7.8
109.10173	15.9
111.11752	3.0
114.82484	0.8
119.08609	3.0
121.10152	10.6
123.08091	0.8
123.11721	7.8
133.10162	1.7
135.08034	0.9
135.11703	6.9
137.09668	1.5
137.13284	4.9
147.04410	1.6
147.11699	1.2
149.06036	1.5
149.13306	4.0
151.14766	1.0
161.13324	1.5
163.11263	0.8
163.14835	2.7
165.12778	2.2
167.10683	0.8
173.13203	1.0
175.14908	1.3
177.16357	1.5
179.17955	0.8
191.18115	0.9
193.12234	10.5
203.18028	1.2
205.19485	4.2
207.13866	0.9
221.15355	1.2
293.06326	0.7
293.09714	0.8
305.24448	0.7
308.21658	0.8
340.77225	0.8
385.65442	0.9
410.89194	0.8
413.12314	2.6
413.34177	100.0
414.34760	1.9
424.08490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03440	0.5
69.07076	1.4
69.97327	1.7
73.33382	0.4
77.47099	0.4
79.05515	2.1
93.42490	0.4
97.06545	11.2
97.32603	0.4
105.03400	0.5
119.64684	0.4
122.71815	0.5
131.04953	1.1
133.60786	0.4
168.00575	1.8
169.01366	0.7
180.95287	0.4
183.02927	1.2
188.04857	0.5
189.79262	0.4
200.04822	0.5
216.04233	1.1
228.04228	1.7
241.97304	0.4
242.05862	0.8
244.03702	4.6
245.04530	1.3
246.05089	0.5
256.03720	5.2
257.04465	0.7
259.06049	4.2
268.03799	1.0
269.04443	1.0
270.05222	2.1
271.06027	0.5
272.03210	2.4
273.03949	1.6
282.05301	0.6
283.06152	0.5
284.03207	7.2
285.07761	0.5
286.04636	0.8
287.05542	6.4
297.04041	1.1
298.04822	2.6
299.05441	1.5
300.02725	2.1
301.03464	1.4
302.04263	4.3
311.05670	1.6
312.02676	5.7
313.03723	0.7
313.07083	10.1
315.04999	10.4
316.05823	4.4
317.06650	2.4
324.06445	1.2
326.07870	1.1
327.05042	26.6
336.06161	0.8
339.05215	0.9
339.08780	2.0
341.10138	1.0
354.07330	7.0
369.05231	0.9
369.09735	16.0
370.10202	0.5
395.11746	0.6
413.12369	100.0
414.12689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1235
Annotation	Brandisianin D
Peak:m/z	Relative Intensity
55.01857	1.3
55.05505	0.8
56.02648	0.6
57.03422	0.6
65.97253	0.5
67.05489	0.8
68.99791	1.6
69.03416	1.1
69.07056	1.9
69.35825	0.8
69.36231	2.7
71.01325	0.5
71.05032	0.6
72.08171	0.6
72.66890	0.5
79.05469	1.6
81.07053	1.5
82.83288	0.4
83.04975	0.5
84.02119	0.8
85.02880	0.9
91.05469	1.2
93.06973	0.4
95.01324	0.5
95.04997	0.7
95.08620	0.6
97.02912	0.5
97.06525	1.3
99.00821	2.5
105.07017	1.3
107.08598	0.5
109.02879	0.7
109.10151	0.6
112.01600	3.3
113.06098	0.5
119.08608	1.2
119.15172	0.4
120.08096	0.9
121.10122	0.8
123.04491	0.5
125.06025	0.7
127.00284	3.8
127.03876	0.4
128.06305	0.5
129.01833	0.5
129.07101	0.5
131.04961	0.7
131.08537	0.7
132.57822	0.4
133.10190	0.6
135.11591	0.4
137.02325	0.8
137.05937	0.8
140.01064	1.4
141.01912	0.5
143.08588	0.5
145.02831	0.5
145.10213	1.2
152.06233	0.5
153.01845	0.5
153.06979	1.9
154.99776	1.0
155.08577	1.4
157.86206	0.5
159.11754	0.6
160.05266	0.4
161.05992	1.5
163.11201	0.6
165.07018	0.7
167.08566	0.6
168.00555	34.3
169.01419	2.6
169.02586	0.5
169.04985	0.6
169.06398	0.6
173.05922	2.2
174.06836	0.6
175.03947	0.7
175.07629	1.0
177.05531	2.4
179.24300	0.4
181.06499	1.2
183.02905	100.0
183.08128	1.2
184.03329	0.6
185.05911	0.7
186.01616	14.2
186.06741	1.0
187.07500	1.5
187.11211	0.5
189.09114	1.1
194.28949	0.4
195.08040	1.4
197.05946	0.7
199.07562	2.3
201.03880	1.1
201.05496	1.4
201.09108	0.8
203.18005	0.6
207.06528	0.6
211.07501	2.8
212.08368	1.0
213.05472	0.9
213.09125	0.9
214.06282	0.7
215.06874	0.4
217.08775	0.6
221.19078	0.5
229.08600	1.2
239.06999	3.3
242.05757	0.5
257.08124	5.9
265.08508	0.6
267.10245	0.5
273.03656	0.5
281.04556	0.5
284.02957	0.5
285.03989	1.3
285.07303	0.5
286.04767	0.6
293.08231	0.6
295.05945	1.1
296.03424	0.8
297.04053	1.3
298.04639	1.2
301.03552	0.8
302.04272	4.4
305.04456	0.5
306.08798	0.6
309.07645	1.3
310.04587	0.6
311.05518	3.2
313.03448	2.3
313.07010	0.9
314.04144	1.1
317.06586	5.7
319.06171	1.0
323.05737	2.2
323.09000	0.7
324.06363	0.8
325.07056	0.7
326.04230	13.5
326.08008	0.8
327.04999	1.7
328.05826	5.3
329.06479	0.7
334.08292	1.8
335.09241	1.8
336.06241	1.0
337.07047	1.6
339.04987	5.0
339.08636	0.9
340.05753	0.9
341.06564	20.8
342.07211	1.6
347.05508	1.3
349.07062	0.6
349.10901	1.5
351.04810	1.6
351.08795	1.3
352.09543	1.5
353.06601	1.5
354.07352	10.9
355.07950	0.9
356.08929	6.8
357.09756	2.0
362.07831	1.3
363.08646	1.0
365.06525	1.8
366.07199	0.9
367.08063	0.4
367.11868	4.3
369.05386	0.7
369.09705	8.7
377.10187	2.1
380.08862	1.2
384.08215	1.2
385.12961	0.9
395.11285	14.9
398.09875	0.6
413.12341	81.9
414.12738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14334	0.5
55.01870	0.7
55.05511	0.6
57.03440	0.6
67.05501	0.6
68.68935	0.3
69.03415	0.6
69.07069	2.6
70.01320	1.9
79.05482	2.4
87.14098	0.4
97.06532	13.0
98.21432	0.7
131.04912	0.6
133.02837	0.4
152.10123	0.3
168.00555	1.5
169.01350	0.6
171.04398	0.7
183.02876	1.8
186.01559	0.8
200.04707	0.7
213.09235	0.5
216.04138	1.1
228.04160	1.5
231.06548	0.4
241.77368	0.4
244.03699	5.8
256.03690	4.8
259.06064	4.1
268.03662	0.8
269.04486	2.1
270.05197	2.5
272.03214	1.8
281.04459	0.4
284.03162	6.5
286.04706	0.6
287.05484	6.8
297.03992	0.7
298.04730	2.2
299.05533	1.5
300.02701	2.3
301.03394	0.6
302.04224	5.5
311.05447	2.2
312.02582	6.1
312.05981	0.6
313.03400	0.4
313.07037	12.3
313.10709	0.7
315.04974	10.6
315.08661	0.5
316.05710	0.8
317.06528	3.8
324.06305	1.4
325.03336	0.5
325.07068	0.9
326.07849	0.7
327.05011	31.9
328.05396	1.1
335.05551	0.5
336.06241	1.0
339.04861	1.2
339.08673	1.7
340.06012	0.5
341.06662	0.6
341.10349	1.7
353.06393	0.7
354.07288	8.2
369.09711	18.1
395.11429	0.8
413.12320	100.0
414.12677	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1233
Annotation	Brandisianin D
Peak:m/z	Relative Intensity
53.03946	0.5
55.01863	1.2
55.05513	0.4
56.02638	0.4
57.03422	0.9
66.01070	0.3
67.01845	0.3
67.05504	0.9
68.99793	1.5
69.03414	0.4
69.07069	2.9
69.31374	1.2
69.31802	1.4
70.05146	0.4
71.01344	0.7
79.05120	0.3
79.05500	3.3
81.03398	0.5
81.07044	0.4
83.04994	0.3
84.02110	0.6
91.05460	0.3
95.04955	0.6
97.06538	14.6
99.00820	2.5
105.07032	0.4
112.01583	2.9
115.05450	0.6
116.82477	0.3
123.04470	0.5
127.00275	3.4
128.06244	0.4
129.07022	0.8
129.56749	0.3
131.04935	0.7
131.08609	0.3
137.02325	0.8
139.00325	0.5
140.01103	1.5
141.07007	0.5
143.08562	0.7
147.04411	0.7
152.06149	0.4
153.06975	1.3
154.02652	0.5
154.99739	1.0
155.03412	0.5
155.08569	1.0
160.05206	0.4
161.05930	1.4
165.07014	1.4
166.07787	0.3
166.99838	0.4
167.08580	1.2
168.00551	39.3
169.01323	3.5
169.05000	0.5
169.06435	0.5
171.04419	0.5
171.08041	0.4
173.06041	2.4
174.06735	0.6
175.07588	0.7
177.05479	1.1
179.03365	0.5
179.08525	0.5
181.06482	1.5
183.02896	100.0
183.08083	1.5
184.03201	0.5
185.00737	0.5
185.05960	1.5
186.01598	12.6
186.06776	1.3
187.07581	2.3
188.08327	0.4
189.09138	0.6
192.04250	0.4
193.06502	0.5
195.02942	0.5
195.08093	1.5
197.05989	0.8
197.09666	0.4
198.06795	0.4
199.07579	1.9
200.04610	0.6
201.03902	0.9
201.05499	1.7
201.09135	0.8
207.06343	0.5
207.08141	0.6
209.09653	0.6
211.07565	3.2
212.08299	0.8
213.05501	0.9
213.09190	1.5
214.06255	0.7
217.08652	0.5
223.07561	0.4
225.09099	1.5
227.07135	0.4
229.08630	0.9
235.07521	0.6
237.09225	0.5
239.07019	4.0
241.04938	0.4
242.05850	0.4
245.04550	0.4
251.10674	0.4
253.08635	1.3
256.03677	0.5
257.08130	6.1
259.06073	0.3
263.07089	0.6
267.06586	0.6
267.10202	0.7
269.04568	0.4
269.08160	0.3
270.05258	0.7
271.09659	0.4
273.03897	1.0
278.09412	0.4
279.13782	0.6
281.04489	0.6
281.08072	1.0
282.05078	0.3
283.06058	0.5
284.03271	0.4
284.14041	0.9
285.04016	1.9
286.04669	0.4
287.05444	0.6
293.08151	0.8
295.06000	1.4
295.09207	0.4
296.06723	0.5
297.03934	1.1
297.07281	0.7
298.04672	1.7
300.02612	0.4
301.03482	1.1
301.06952	0.7
302.04218	5.1
303.10443	0.4
305.04471	0.6
306.08698	0.7
307.06189	0.4
307.09451	0.4
308.06909	0.6
309.07596	1.0
310.04831	0.7
311.05591	3.1
311.08929	0.6
312.02750	0.5
312.06204	0.4
313.03430	1.5
313.07059	1.3
314.04227	1.1
315.05023	1.0
315.08691	0.4
316.05798	0.9
317.06512	5.5
319.06033	0.9
320.06689	0.4
323.05518	1.4
323.09125	0.5
324.06525	1.6
325.03476	0.7
325.07196	0.9
325.14307	0.5
326.04260	9.8
326.07751	0.6
327.04953	3.6
328.05762	5.4
329.06445	0.7
333.07602	0.4
334.08456	2.3
334.45853	0.3
335.09067	1.5
336.06348	1.1
337.07056	1.2
338.04337	0.4
339.05020	7.4
339.08649	0.7
340.05740	0.7
341.06555	17.8
341.09866	1.0
342.07285	1.1
345.07361	0.4
347.05536	1.0
349.10880	1.6
351.05029	0.7
351.08655	1.5
352.05457	0.6
352.09259	1.9
353.06552	1.4
353.13779	0.7
354.07343	15.7
355.08078	0.5
356.08859	5.2
357.09760	2.2
361.06915	0.4
362.07657	1.5
363.08646	0.7
365.06589	1.8
367.07666	0.6
367.11758	4.3
367.15601	0.6
369.09698	20.4
369.17056	0.8
377.10046	1.5
377.14279	0.7
380.08893	1.5
384.08347	1.1
385.12958	0.9
395.11084	12.5
398.10324	0.5
413.12292	76.8
414.12518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1233
Annotation	(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.01873	0.9
55.05502	0.5
57.03435	0.5
62.94297	0.4
67.05505	0.9
69.07068	1.8
69.69033	0.7
69.69428	1.9
79.05489	2.2
80.53205	0.3
83.04987	0.6
97.06540	12.3
104.20833	0.3
105.03415	0.4
131.04919	0.7
133.02917	0.4
134.03635	0.6
135.04485	0.5
139.00212	0.6
168.00555	1.7
168.78230	0.4
169.01309	1.2
171.04463	0.5
183.02901	1.6
185.00845	1.2
186.01610	0.6
199.03828	0.6
200.04710	0.8
214.06273	0.5
216.04282	1.2
217.04839	0.5
228.04181	1.1
241.04999	0.9
242.05838	0.5
244.03700	6.8
245.04480	3.2
246.05298	0.5
255.02710	0.4
256.03671	4.2
259.06058	4.6
269.04504	1.5
270.05222	2.9
271.06104	0.4
272.03186	1.8
273.03949	3.4
284.03171	6.3
285.04053	0.5
286.04642	0.6
287.05490	8.9
297.04150	0.8
298.04782	3.1
299.05594	1.3
300.02722	1.7
301.03400	4.2
302.04248	6.1
311.05579	1.1
312.02686	5.0
312.06009	0.6
313.03586	0.8
313.07077	8.2
315.05002	10.0
316.05789	10.4
317.06564	4.8
323.05515	0.5
324.06448	0.7
326.07748	0.7
327.05008	23.3
328.05612	0.4
338.04279	0.7
339.05072	1.3
339.08719	1.3
341.10361	1.2
353.06726	0.8
354.07358	6.1
369.09726	14.4
369.14398	0.7
380.08829	1.1
395.11328	2.1
413.12338	100.0
414.12579	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.05022	0.8
56.96564	1.0
57.03443	1.7
61.73464	0.7
66.95905	0.8
69.03425	3.2
69.07061	0.9
70.06602	3.9
70.63734	2.3
70.99309	0.7
71.76170	0.8
72.08157	1.2
73.02930	1.3
74.06065	2.0
81.03426	1.4
81.07049	1.2
83.08629	10.4
84.08138	1.9
85.02907	3.5
86.09728	1.3
97.02888	2.3
98.06072	1.2
98.97588	3.4
100.07613	1.0
100.16093	0.8
101.09659	9.8
102.05525	1.1
105.03439	0.9
105.07052	1.2
109.02891	1.0
115.03970	1.4
116.98669	1.4
119.03570	3.2
119.10699	3.1
120.06584	7.0
127.03941	3.8
133.05025	1.0
136.06201	100.0
137.05966	1.0
143.58748	0.8
145.02873	1.3
147.04410	1.5
150.07770	2.6
162.04131	63.9
164.98590	4.1
177.05487	1.2
182.99669	14.6
201.00743	15.1
219.01772	1.9
221.06209	0.9
251.13664	1.1
263.07251	0.9
265.04861	1.0
281.09958	57.4
309.02686	1.2
327.03976	6.6
327.07562	0.8
345.04965	2.5
351.03970	2.3
369.05737	4.9
369.09827	0.9
412.90323	0.9
413.04810	29.5
413.13815	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	413.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61367	1.6
55.01874	2.0
55.05518	12.2
56.96564	3.3
57.03431	2.5
62.47507	2.4
69.03419	4.0
70.01794	1.5
70.06603	8.8
70.08854	5.7
72.08125	3.9
73.02908	4.0
74.06058	2.0
83.08624	33.8
84.08150	3.2
85.02904	13.0
86.06083	2.9
86.09708	2.1
96.27164	1.8
97.02893	7.0
98.20874	1.8
98.97598	9.9
101.09663	27.6
102.05534	1.7
109.02858	3.7
110.97608	1.6
116.98657	3.4
119.03499	1.7
119.04966	2.6
119.10715	10.5
120.06556	5.4
126.80710	1.5
127.03936	12.0
133.05025	3.2
136.06192	84.5
143.00163	2.1
145.05011	2.2
147.04416	4.4
148.04749	2.4
150.07761	2.4
159.93146	1.5
162.04126	55.4
164.98549	11.8
177.00685	2.8
177.05568	2.0
180.20297	1.7
182.99669	43.8
184.16524	1.8
201.00725	53.7
219.01820	7.2
264.78467	1.6
265.04977	2.6
281.09943	53.2
287.01730	1.9
305.04364	2.2
307.32086	1.7
319.54822	1.6
327.03857	24.4
345.05029	9.6
351.04028	8.5
367.08209	3.3
369.05969	14.0
395.04004	4.1
413.04828	100.0
414.05170	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09619	0.3
55.01871	1.7
55.05507	0.5
67.05505	0.6
68.99795	0.7
69.07085	3.1
70.68069	1.1
79.05481	1.7
83.05009	0.7
97.06549	8.4
105.03392	1.1
123.67447	0.4
134.03682	0.8
135.04428	0.4
139.00285	0.4
153.01793	0.5
166.99808	0.8
168.00557	3.0
169.01320	0.9
171.04430	0.5
175.03990	0.4
183.02956	0.9
185.00861	0.5
186.01585	0.9
199.03821	0.5
200.04732	0.8
214.06250	0.8
216.04283	1.2
217.04993	0.5
226.22687	0.5
228.04263	1.1
229.05122	0.4
241.05072	0.9
242.05873	0.6
244.01399	0.7
244.03726	7.5
245.04498	4.6
246.05244	0.5
254.05898	0.4
255.03188	0.4
256.03683	3.6
259.06110	5.1
260.06723	0.8
262.76208	0.4
269.04565	1.2
270.05252	1.7
272.03217	1.9
273.03934	4.9
282.05170	0.7
284.03162	4.5
285.03888	0.4
286.04797	0.5
287.05563	8.1
297.04050	1.0
298.04788	3.0
299.05573	1.6
300.02737	1.3
301.03488	5.5
302.04254	10.8
302.07568	0.8
311.05441	0.9
312.02728	3.6
313.03619	0.8
313.07056	5.3
315.05026	6.6
316.05826	13.0
317.06622	5.6
324.06219	0.8
327.05032	14.2
339.05048	0.9
339.08865	0.8
341.10251	0.6
351.08975	0.5
353.06543	0.7
354.07343	3.2
369.09766	7.8
380.08813	1.0
395.11511	1.4
413.12375	100.0
414.12668	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05524	10.7
62.49032	2.1
67.05513	11.3
69.07075	5.3
69.44830	2.5
69.77550	8.2
77.90691	1.9
79.05506	15.7
81.07065	9.3
83.04967	6.1
91.05485	10.3
93.07052	14.3
93.07561	2.1
95.08636	4.7
97.06515	7.4
97.10154	3.0
105.07043	8.6
107.04939	6.7
107.08611	16.5
119.08582	9.3
121.10141	7.0
123.11698	2.3
125.09649	6.8
131.08618	4.3
133.10106	5.6
147.11685	6.5
149.09639	14.4
159.11662	2.6
169.12192	3.4
183.15845	2.4
185.62534	2.8
189.11292	7.3
209.15312	7.1
227.12732	4.3
257.19046	5.6
275.20081	37.1
287.05417	2.5
302.04175	2.3
313.07095	2.9
315.04956	5.7
327.05200	12.3
349.23785	100.0
350.23941	2.7
352.28494	2.4
354.07419	2.4
366.31882	2.5
369.09689	6.8
413.12393	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	412.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60321	2.5
53.03953	3.0
55.01861	2.9
55.05522	4.7
57.03437	3.3
66.55371	2.8
67.05489	10.9
69.07057	9.0
71.52727	4.5
77.44382	2.6
79.05474	10.3
80.49501	2.3
81.03415	3.3
81.07068	16.5
83.05000	2.9
91.05473	7.9
93.07045	12.4
95.08613	7.9
97.06554	16.4
105.07083	14.5
107.04948	5.0
107.08609	8.2
109.06489	2.9
109.10160	4.2
117.07012	7.0
119.08587	10.0
129.00627	2.8
131.08560	5.4
133.10133	8.2
135.07999	2.6
135.11751	2.6
139.63246	2.9
145.10144	3.9
147.07080	2.6
147.11708	6.2
149.09639	6.6
158.89380	2.6
159.11674	3.0
168.00642	3.9
177.97049	3.0
179.14204	2.9
186.01662	3.0
187.11423	2.5
197.88809	2.4
216.69797	3.2
257.19025	6.8
275.20090	39.1
284.03183	5.3
287.05496	5.9
300.02631	3.6
302.04300	4.6
312.02545	4.7
313.07098	6.6
315.04865	5.3
327.05002	18.5
338.64310	3.1
349.23776	100.0
353.06522	4.8
354.07324	5.2
369.09613	13.8
413.12350	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49440	2.3
55.01861	8.0
55.05505	5.3
66.36111	2.5
67.05495	9.7
69.03455	2.7
69.07063	10.6
69.81673	14.0
79.05492	12.1
81.07068	15.9
83.04994	4.4
88.06541	2.3
91.05471	8.2
93.07059	12.7
95.08633	12.0
97.06544	15.6
101.43953	2.6
105.07035	16.7
107.04967	5.4
107.08601	11.9
109.10134	5.9
109.10847	2.6
117.07030	3.4
119.08562	10.1
121.06555	3.2
121.10178	3.1
131.08574	7.7
133.10107	11.7
135.11745	2.5
145.10091	6.1
147.11702	5.1
149.09610	9.5
159.11710	5.1
179.14386	3.5
184.28465	2.6
214.60225	2.5
257.18774	3.5
257.74564	2.7
259.06085	3.2
275.20020	27.0
284.03116	4.3
287.05563	4.9
302.04254	3.2
313.07059	8.5
315.05045	6.2
317.06555	3.5
327.04974	17.3
349.23767	100.0
353.06363	3.9
354.07086	3.6
369.09839	13.7
413.12369	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00882	1.5
53.03955	8.1
55.01878	10.4
57.03442	4.3
59.04977	1.8
61.02917	6.6
67.72083	1.7
68.99769	3.8
69.03085	2.7
69.03433	36.2
69.07079	13.2
69.69457	8.8
70.06570	2.7
71.04990	5.5
73.02922	9.9
79.05485	1.8
81.03423	32.4
83.04969	1.8
85.02911	100.0
86.09700	2.2
87.00842	43.3
87.04465	2.2
87.08111	18.3
91.05468	1.5
97.02305	2.9
97.02898	37.5
99.04461	17.1
100.11250	2.5
105.01872	67.7
108.04562	1.7
109.02886	30.5
109.10142	1.8
115.03992	1.5
117.01852	3.7
119.10676	4.5
127.03925	79.6
129.01808	4.1
145.04967	43.0
147.02879	3.9
147.10167	11.5
159.02904	20.3
177.03947	2.1
189.03932	3.1
210.14815	1.7
213.03954	4.1
231.05013	24.8
249.06075	6.2
303.11441	1.6
412.20178	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	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53125	0.7
53.03938	1.3
55.01665	0.8
55.01876	7.9
55.05505	3.6
55.60996	0.6
56.19955	0.8
57.03442	18.5
59.05029	1.5
61.02933	15.7
67.05508	1.2
69.03436	34.4
69.07059	1.1
69.36642	3.2
69.37068	2.8
69.67943	0.9
71.01349	3.2
71.04999	6.2
73.02924	83.1
79.05494	1.0
81.03418	6.9
81.07066	0.9
82.06574	2.2
83.05000	1.3
83.08626	4.7
85.02915	100.0
87.04469	4.7
91.03958	6.0
91.05508	1.2
93.07048	1.6
95.04961	1.5
95.08597	1.8
96.56396	0.7
97.02903	57.3
99.04482	5.4
99.08100	1.3
103.03951	2.8
104.10709	0.8
105.07048	1.1
107.08597	0.8
109.02894	9.9
109.06561	1.1
111.08101	2.6
113.09629	0.9
114.94030	0.8
115.03940	32.5
115.04773	1.6
121.06511	1.6
123.08093	1.2
125.09671	0.9
127.03926	31.5
128.07016	1.1
129.09128	2.0
133.04982	36.8
139.03871	1.2
139.07521	4.6
141.09120	1.7
145.04976	53.3
150.07591	4.8
155.10652	0.8
163.06033	25.8
169.04918	1.5
179.10678	1.9
180.08685	1.5
193.05016	1.3
197.11758	2.6
199.06033	2.1
209.11768	1.6
210.45143	0.8
215.12839	2.8
217.07167	2.3
223.06012	8.4
227.12799	2.0
233.13959	2.6
241.07106	8.4
245.13890	3.2
259.08200	12.7
263.14944	6.3
277.09262	3.6
295.10284	4.4
390.74432	0.8
412.20444	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	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01875	8.0
55.05502	1.6
57.03201	1.3
57.03445	16.4
59.04988	2.1
61.02931	12.7
67.05492	1.5
69.03432	29.9
69.30222	8.9
70.06598	2.2
71.01360	4.0
71.04991	2.5
73.02922	69.5
75.51352	0.9
81.03421	6.3
82.06580	2.0
83.04990	1.0
83.08606	2.8
85.02910	100.0
87.04463	3.5
88.04001	1.4
91.03953	5.5
95.04991	1.2
97.02896	53.5
99.04465	5.4
100.07616	1.9
103.03933	5.3
107.04956	1.6
107.08589	1.0
109.02878	8.6
115.03936	25.1
117.05492	6.6
118.05843	1.8
127.03926	36.1
128.07037	1.0
133.04971	42.8
145.04967	51.4
146.06123	1.0
150.07570	1.9
161.06056	1.3
162.06290	1.7
163.03923	4.5
163.06026	32.2
163.07411	1.7
164.04221	3.7
169.04997	1.1
175.03848	1.2
177.05481	1.2
178.06247	1.2
179.10753	1.2
193.08600	2.7
194.09013	2.9
197.11806	2.7
199.06007	1.8
201.09073	1.3
217.07019	1.6
223.05997	5.8
229.08612	2.6
233.13808	1.8
241.07106	8.4
259.08176	12.5
263.14923	9.9
277.09296	2.0
295.10117	6.8
412.15253	2.5
412.20050	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1631
Annotation	Bruceine D
Peak:m/z	Relative Intensity
55.05515	0.4
57.03431	1.6
69.03437	0.7
69.17180	1.9
69.17605	2.2
70.06583	1.4
74.64128	0.4
75.40800	0.4
79.05495	0.6
81.03384	0.5
81.07062	1.1
82.22851	0.4
82.64698	0.4
85.02911	1.6
85.06544	1.0
85.58588	0.4
86.09762	0.4
91.05471	0.6
95.08607	1.0
97.02912	0.7
99.04447	0.5
103.03938	1.2
105.07038	0.5
107.04918	0.7
109.02855	0.8
109.10235	0.5
117.05493	3.7
126.60468	0.4
127.03910	0.9
128.07062	0.5
133.06508	0.5
145.05008	0.5
145.10172	0.4
147.09184	0.5
161.05972	1.5
163.03931	4.9
178.06255	1.0
193.08612	1.7
195.17467	0.5
207.08705	0.8
213.18513	1.3
219.08690	0.4
231.08752	0.5
248.54315	0.4
249.09602	0.9
267.10574	2.8
291.10907	0.9
303.05505	0.4
325.13971	0.6
393.14182	0.5
411.16245	100.0
412.16519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.11802	1.3
55.01870	1.8
55.05487	2.0
57.03445	36.5
61.02937	7.9
67.05495	1.5
67.53394	1.5
69.03431	5.2
69.07060	1.5
71.41711	2.7
73.02917	2.2
79.05489	2.4
81.03420	5.7
81.07072	2.9
85.02914	19.1
85.06543	1.8
87.00852	1.6
88.58569	1.3
91.05490	6.3
93.07058	2.3
95.04929	1.8
95.08614	1.9
97.02895	2.3
98.21412	2.3
99.04463	9.9
99.08030	1.5
103.03961	20.8
103.05487	2.3
103.65475	1.4
105.01846	2.3
105.07045	15.3
107.04950	8.6
107.08596	1.9
109.02892	6.6
115.05450	2.8
116.07183	2.2
117.05507	100.0
118.04151	3.5
119.04944	6.4
121.10208	1.5
121.97334	1.4
123.60986	1.4
124.06607	1.5
127.03944	9.8
128.06262	1.9
131.04961	3.2
133.05023	1.6
133.06505	14.3
133.10130	1.5
136.28329	1.4
137.05969	2.2
143.03474	1.5
145.04948	3.1
146.03687	7.2
147.09149	2.2
159.02930	1.8
161.06003	29.2
163.03925	93.6
163.07492	2.9
177.05521	1.5
178.06302	28.9
191.06892	7.9
192.04086	2.4
193.08624	48.4
199.07533	4.5
201.07602	5.9
203.07037	1.9
213.12834	1.4
219.08635	12.9
231.10126	6.9
231.13838	1.7
249.11301	2.7
267.12228	8.3
279.07202	1.8
325.13846	2.6
347.13617	2.5
411.15326	3.8
411.20074	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	411.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.1
56.69916	3.4
57.07075	11.8
61.56525	3.3
67.05502	19.6
69.07079	12.0
71.08650	4.4
71.52178	3.1
79.05505	10.0
80.42397	3.4
81.07066	72.9
83.08607	7.1
85.06551	8.8
93.07040	22.4
95.08621	100.0
97.10144	4.0
105.07038	15.0
107.08611	23.5
109.10175	30.3
119.08592	9.0
121.10172	12.4
121.72870	3.5
123.11725	23.1
131.08591	7.6
133.10147	13.0
135.08104	3.7
135.11716	12.8
137.13277	59.6
145.10139	7.6
147.11703	7.7
149.13251	12.3
151.14868	9.6
154.12402	3.5
157.10237	4.2
157.46506	3.7
158.97377	3.8
159.11696	6.4
161.13300	7.3
163.14894	9.3
171.11751	5.1
173.13278	9.9
175.14833	4.2
177.16333	4.8
180.29832	3.8
187.14894	3.8
189.16353	4.6
191.17990	6.5
199.14836	4.6
201.16455	8.6
203.18124	5.3
215.17932	4.4
219.17413	4.5
243.21170	15.2
253.19505	3.9
261.22214	9.0
273.21933	5.2
356.95944	3.6
393.35205	10.2
411.31500	12.3
411.36240	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51617	1.4
55.05511	2.8
55.71756	1.7
57.07085	47.8
59.05010	29.4
67.05518	3.7
69.07058	3.2
71.08643	100.0
71.52655	2.1
79.05505	2.7
81.07053	4.8
83.04928	1.7
85.10194	57.5
89.06048	17.4
91.05502	4.7
92.05820	2.0
93.07056	7.5
95.04978	4.6
95.08615	3.1
97.06568	1.9
103.07582	5.3
105.07047	18.2
106.07391	4.0
107.08602	4.0
109.06564	2.1
109.10193	2.4
115.05466	1.8
117.07059	2.3
117.09152	7.5
119.08604	5.3
120.08936	4.2
122.09664	2.6
127.14822	7.6
131.08578	1.5
133.08623	12.9
133.10167	2.2
135.08092	2.2
136.72034	1.7
143.08466	1.5
145.10106	3.6
146.10460	1.9
147.08128	2.2
147.11710	5.1
148.12053	2.2
151.09659	5.9
157.10223	1.6
159.11589	1.7
165.09161	3.2
165.12747	2.3
166.09430	2.0
175.11150	3.0
185.19035	17.9
191.12831	8.3
209.13800	7.3
214.23314	1.6
218.24074	1.7
221.15433	7.1
222.15741	5.0
235.16687	2.1
243.23206	15.2
245.89996	1.9
373.45309	1.7
393.32104	8.3
410.08960	1.8
410.27499	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.9
57.07080	99.9
59.05006	19.6
67.05497	4.6
69.07040	3.8
70.68221	2.8
70.68536	2.9
71.08636	100.0
79.05487	5.9
81.07042	9.0
83.08598	3.1
85.10191	98.5
89.05489	3.6
89.06036	58.9
91.05476	7.7
92.05806	2.4
93.07065	11.5
94.07380	3.6
95.04975	10.8
95.08599	8.2
96.05285	2.7
96.08969	2.4
99.11746	12.0
103.07585	4.8
105.07045	21.4
106.07356	8.9
107.08615	6.4
108.08946	3.4
109.06502	3.1
119.08614	12.3
120.08893	6.5
121.06489	4.9
121.10147	3.8
123.08040	2.6
131.08554	3.5
133.08611	23.4
135.08040	4.0
136.93005	1.8
141.16386	14.4
143.08354	2.1
145.10110	6.0
146.10448	2.8
147.11659	7.6
148.12038	3.6
156.09000	1.9
157.10101	2.0
165.09093	4.2
166.09431	4.1
168.68977	2.5
172.12021	2.6
175.11217	4.1
176.11540	5.5
177.11237	37.7
183.11606	2.9
195.10663	2.8
195.12296	28.3
199.20578	15.1
204.14667	1.8
221.15367	9.3
222.15736	10.2
230.16214	2.1
234.16002	2.3
235.15456	6.9
239.14897	8.5
243.23294	4.0
253.16383	5.4
258.12985	2.0
260.05960	2.2
310.18689	1.9
371.10812	2.6
392.26993	1.9
393.32175	31.4
394.24591	2.0
410.27515	12.5
412.57971	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05517	4.9
57.07080	7.9
67.05504	22.2
69.07077	14.4
69.14729	11.2
71.08627	2.4
74.59502	1.1
79.05486	7.1
81.07060	66.7
82.07376	1.9
83.08624	6.1
85.10176	2.5
88.20172	1.1
90.05674	1.1
91.05479	3.5
93.07048	13.2
95.08611	100.0
96.08904	1.6
97.09600	1.0
97.10177	3.7
105.07041	9.2
107.08598	19.3
108.08940	1.1
109.10162	31.1
111.11716	1.9
119.08604	9.7
121.10144	14.1
123.11708	14.4
128.81007	1.0
131.08534	2.2
133.10143	9.0
135.11705	17.5
136.48270	1.0
136.86166	1.0
137.13263	58.6
145.10130	4.0
147.11671	8.5
149.13268	13.9
151.14844	3.1
159.11752	3.5
161.13300	6.4
163.14828	5.6
165.16394	1.1
173.13242	3.4
175.14847	4.4
177.16400	4.5
179.17935	2.5
187.14793	2.7
189.16376	4.6
191.17981	4.2
193.19478	2.3
201.16440	2.9
203.17975	5.5
205.19589	3.0
215.17982	4.7
217.19467	4.9
219.21097	1.2
229.19533	5.0
231.21049	3.3
243.21097	1.4
245.22661	2.1
257.22638	5.8
259.24203	8.4
271.24207	6.1
273.25845	1.6
285.25732	2.4
367.32938	1.0
409.38333	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03960	1.9
55.05512	21.4
57.07064	6.7
65.03944	1.9
67.05503	26.1
69.07072	56.8
70.76495	5.1
71.08639	2.7
79.05489	13.9
81.06593	3.8
81.07062	72.5
83.08622	27.9
91.05466	10.5
93.07045	28.7
95.08611	72.5
97.10151	7.4
105.07040	23.4
107.08602	39.5
109.10162	60.4
111.11714	5.2
117.07009	3.4
119.08590	27.5
121.10134	36.1
123.11710	30.5
125.13197	2.3
129.06999	1.9
131.08591	12.8
133.10133	26.7
135.11699	24.9
137.13254	20.4
143.08669	1.9
145.10126	16.7
147.11710	22.1
149.13271	25.2
151.14810	5.4
157.10153	3.4
159.11694	16.9
161.13246	18.2
163.14832	11.8
165.16516	2.6
171.11673	5.0
173.13290	14.2
175.14844	13.1
177.16403	11.3
179.18071	2.3
185.13284	3.3
187.14864	12.0
189.16408	10.7
191.17897	9.9
199.14827	2.5
201.16408	9.1
203.17993	10.0
205.19554	3.0
213.16365	5.0
215.17960	8.5
217.19501	5.9
227.17995	4.2
229.19467	10.5
231.21103	7.3
243.21077	5.6
245.22527	2.6
255.21120	3.3
257.22662	10.7
259.24255	5.9
269.22849	2.3
271.24237	6.4
273.25839	2.6
285.25797	5.3
297.25964	2.8
299.27243	5.0
311.27466	2.3
325.28870	4.0
327.30521	9.2
339.30576	3.9
353.32120	6.9
367.33609	2.4
409.38312	100.0
410.38593	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09113	2.4
55.05514	12.8
55.42285	1.9
57.07072	9.4
64.55484	2.1
67.05514	28.0
69.07077	62.7
70.81795	4.8
70.82146	2.9
71.08639	3.8
79.05502	14.8
81.07065	94.3
83.08635	20.6
91.05484	7.2
93.07049	30.5
95.08619	89.6
97.10188	10.2
105.07046	20.7
107.08608	43.6
109.10175	66.1
111.11757	8.3
114.23001	2.3
117.07068	3.0
119.08589	33.7
121.10157	43.0
123.11716	36.5
125.13290	2.4
131.08577	9.7
133.10141	26.9
135.11707	26.6
135.55231	2.4
137.13287	18.0
143.08597	3.2
143.40973	2.7
145.10086	10.3
147.11713	24.3
149.13266	22.6
150.71771	1.9
151.14841	2.8
158.11008	2.2
159.11716	18.4
161.13293	23.9
163.14911	14.5
173.13315	17.0
175.14819	12.9
177.16425	12.9
187.14864	9.2
189.16379	11.7
191.18002	6.9
199.14923	3.0
201.16403	8.2
203.18021	8.5
205.19600	5.3
213.16400	3.9
215.18002	13.4
217.19527	9.8
229.19568	19.2
231.21117	8.2
243.21222	3.1
257.22729	6.7
259.24234	6.7
271.24182	8.6
273.25677	2.4
283.24173	2.3
285.25790	6.8
299.15082	2.5
299.27408	5.7
327.30566	5.6
339.30444	3.6
353.32248	3.3
409.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05511	8.9
56.90705	3.1
57.07071	6.6
57.75167	2.8
60.87497	3.6
67.05515	26.5
69.07079	22.8
69.50639	25.2
71.08629	3.3
79.05487	9.8
81.07069	66.8
83.08621	9.5
85.25161	3.0
89.06030	4.2
91.05478	7.9
93.07057	23.1
95.08615	100.0
97.10194	4.8
105.07036	11.1
107.08582	27.4
109.10170	60.7
111.11724	5.0
116.62372	3.4
119.08587	17.8
121.10147	30.9
123.11729	27.8
133.10133	13.4
135.11716	23.8
137.13266	40.1
145.10141	4.3
147.11719	17.1
149.13283	23.9
151.07549	13.5
151.14812	6.6
159.11713	4.9
160.82895	3.5
161.13271	12.1
163.14856	14.0
173.13226	3.5
175.14767	8.9
177.16365	7.4
179.17780	4.5
187.14890	5.7
189.09087	4.7
189.16400	10.8
189.22488	3.6
191.17911	15.4
203.10695	22.7
203.17952	8.8
205.12260	3.8
205.19533	9.9
217.12173	4.0
217.19550	10.7
219.21117	7.9
229.19525	14.6
231.21051	6.2
243.21446	4.7
245.22578	3.8
257.22598	7.8
259.24405	4.7
265.80859	3.7
271.24149	10.0
409.30573	20.7
409.38562	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01873	11.8
55.05517	27.7
57.03428	2.6
57.07081	39.6
67.05509	11.8
69.03446	2.4
69.07073	54.4
70.10286	3.5
70.10649	7.7
71.05013	2.5
71.08635	30.3
74.31606	1.8
79.05492	10.4
81.03433	3.8
81.07058	31.7
83.04945	2.0
83.08625	42.8
85.10180	14.6
86.09716	9.4
89.06025	3.8
91.05469	8.8
93.03574	1.6
93.07053	21.2
94.83925	1.8
95.04980	2.2
95.08615	40.4
97.02924	2.0
97.06545	6.2
97.10178	32.6
98.20857	2.1
99.04472	4.1
105.07022	9.6
105.18468	1.8
107.08599	20.9
109.02910	3.8
109.06522	6.6
109.10171	20.4
111.08080	5.7
111.11736	17.7
115.03932	2.7
117.07084	2.1
119.08584	12.3
121.06504	3.8
121.10165	16.4
123.08092	8.7
123.11710	9.4
125.02364	31.8
125.06005	4.8
125.09624	2.2
125.13306	6.8
127.03931	24.0
131.08563	7.8
133.10165	10.3
135.08066	7.1
135.11693	13.2
137.09683	2.8
137.13257	12.5
139.03917	3.5
139.07558	12.9
141.05450	3.2
143.03427	1.8
143.08514	2.4
145.10162	7.9
147.11679	11.6
149.05951	2.2
149.09619	11.1
149.13269	6.0
151.07550	2.5
151.11234	2.2
153.05577	1.7
155.07072	2.5
157.10077	3.0
159.11737	5.3
161.13292	9.2
163.07556	2.2
163.11165	3.2
163.14822	4.9
165.09142	3.5
165.12816	3.3
167.07062	5.4
169.08641	18.2
171.11554	1.8
173.13289	6.3
175.11240	2.3
175.14838	5.3
177.09140	17.2
177.12709	2.4
177.16434	4.3
179.10701	3.3
181.08601	3.9
181.72450	1.9
183.10248	10.2
185.13319	3.1
187.14853	6.9
189.16396	2.9
191.10652	2.6
191.17975	6.1
193.12329	3.6
195.10255	20.3
195.11993	3.7
197.11784	3.6
197.20874	1.7
201.16400	2.5
203.17909	4.7
205.15837	2.7
205.19492	3.2
209.11659	4.2
217.19641	3.0
223.13268	3.3
225.14865	2.9
229.15852	3.0
229.19418	2.4
237.14859	4.7
246.80284	1.9
251.16508	5.6
253.18056	2.1
253.99252	1.8
259.24429	1.9
265.18054	7.8
267.19614	3.1
271.24011	2.6
279.19489	4.1
281.21097	3.0
293.21140	3.5
299.27182	2.6
303.30566	3.1
307.22598	3.8
321.24280	2.4
327.30368	2.6
331.30048	3.9
335.25879	4.3
345.31561	9.3
355.29916	10.0
373.31033	41.3
381.82278	2.0
391.32083	100.0
392.32129	3.5
409.33832	13.3
409.38840	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.05504	14.9
55.05730	2.9
57.07075	6.1
59.05012	3.3
65.07239	3.1
67.05503	23.0
69.03435	6.4
69.07059	14.0
69.15173	33.3
79.05497	21.7
80.36578	2.9
81.07067	54.0
83.04977	5.4
83.08621	5.0
85.06545	10.4
91.05473	31.5
91.26403	3.3
93.07041	42.5
95.04979	37.4
95.08617	56.3
97.06527	7.1
97.10208	4.9
99.29669	3.3
105.07040	100.0
107.08609	41.2
109.06528	13.0
109.10164	30.2
117.07021	12.9
119.07811	5.0
119.08585	58.9
121.06521	16.7
121.10139	31.9
123.08065	17.2
123.11726	9.8
124.60626	3.1
128.06302	4.2
129.07031	6.9
131.08578	22.4
131.09396	3.5
133.10161	27.7
135.08058	9.5
135.11739	20.8
137.09592	6.0
137.13313	9.7
141.07042	5.4
142.07796	11.1
143.08566	15.5
145.06529	3.4
145.10124	36.6
147.08043	12.3
147.11703	36.0
149.09639	7.9
149.13249	9.2
151.07567	17.1
153.22591	3.4
155.08543	7.7
156.09305	4.7
157.10149	18.7
159.11729	13.9
161.09622	11.8
161.13252	9.5
163.11220	6.1
163.14832	5.2
165.09116	22.8
167.08516	3.2
169.10141	10.6
171.11734	10.5
173.13283	13.7
175.11200	22.1
175.14821	6.8
177.09155	4.5
177.16406	5.0
181.10094	4.0
183.11665	10.3
185.09647	4.3
185.13216	8.8
187.14920	7.0
189.12756	8.1
189.16393	6.8
191.14316	4.5
191.18005	16.6
199.14806	5.6
201.12779	7.5
201.16481	8.5
203.14319	13.3
203.17943	8.9
207.11771	5.2
207.13702	4.9
209.13400	6.9
211.14760	5.9
217.19572	7.3
221.15373	61.6
225.16432	3.6
227.17865	3.5
229.15791	4.5
229.19623	3.9
234.16180	11.6
272.02249	3.8
287.20081	6.4
329.21075	7.5
391.33414	7.8
409.27338	47.8
409.34180	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	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01875	10.8
55.05516	14.4
57.03447	5.4
57.06831	1.3
57.07082	16.2
65.03949	0.9
67.05512	4.6
69.07079	32.0
69.36753	6.2
71.08639	12.9
80.59377	0.8
81.03424	14.8
81.07077	7.2
83.08627	21.6
85.06580	1.0
85.10195	6.4
87.04472	0.9
93.07036	1.6
95.04942	1.1
95.08614	7.5
97.02906	1.2
97.10177	15.1
99.04471	1.1
99.11702	1.6
102.06608	0.9
105.07036	2.1
107.08601	1.7
109.02137	2.2
109.02889	41.8
109.10168	6.5
111.11713	8.9
113.05998	2.0
115.03954	10.6
119.08636	1.0
121.10175	1.3
123.04440	2.5
123.11720	3.1
125.13279	4.2
127.03931	100.0
128.04248	1.0
132.85794	1.0
133.10144	1.6
137.09631	1.0
139.14853	1.9
141.05469	6.7
149.09631	1.9
151.11186	1.0
155.07071	3.1
168.06560	1.4
169.08633	8.3
177.09177	0.9
183.10188	17.8
193.15988	1.3
195.10156	5.2
197.11789	7.8
209.11778	3.3
211.13304	3.7
223.13307	3.9
225.14792	4.7
236.78940	0.9
237.14780	4.4
239.16472	7.2
251.16492	5.0
253.18008	10.1
265.18018	7.3
267.19547	5.1
279.19537	4.7
281.21191	6.2
293.21194	3.2
295.22620	4.5
307.22748	2.5
309.24359	5.2
315.49710	1.0
321.24399	2.3
335.25858	3.8
355.29547	0.9
391.32120	56.4
392.32703	1.2
397.61765	1.4
409.33182	25.1
410.32773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2742
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03940	4.8
55.01868	2.5
55.05320	1.4
55.05515	17.1
57.07067	6.2
59.04994	1.8
65.03927	3.1
67.05510	25.7
69.03435	7.8
69.07079	10.2
69.87716	9.8
71.04999	3.1
72.75884	1.8
79.05503	25.3
81.07068	40.6
83.04974	6.1
83.08621	4.5
85.06540	7.3
91.05492	43.4
93.06489	3.5
93.07056	53.5
95.04980	53.4
95.08619	39.3
95.26116	1.7
97.06548	12.7
103.05454	3.1
105.04512	1.9
105.07043	100.0
106.07833	2.3
107.04965	2.9
107.08606	33.2
109.06545	14.4
109.10180	26.9
110.13731	1.8
111.04476	1.8
111.08090	3.1
115.05457	2.4
117.07031	14.4
119.04974	2.2
119.08595	74.1
120.08887	1.9
121.06511	22.1
121.10158	21.1
123.08076	21.1
128.06236	6.2
129.07025	9.3
130.07793	5.4
131.08598	29.1
133.06497	5.1
133.10153	23.5
135.08064	13.2
135.11685	6.5
137.09595	8.2
137.13277	2.6
139.11078	2.1
141.07050	4.0
142.07797	15.8
143.08571	18.5
144.09387	5.1
145.06541	2.8
145.10138	45.6
146.10834	2.3
147.08063	14.6
147.11702	34.0
149.09630	10.6
151.07556	25.7
153.06915	3.3
153.09105	2.4
155.08537	12.4
155.10637	3.3
156.09338	7.0
157.10146	32.9
157.11343	3.1
158.10982	2.5
159.08070	6.5
159.11723	17.7
161.09666	9.5
161.13228	5.1
163.11192	7.2
165.09135	34.9
167.08592	4.6
168.09381	6.1
169.10165	17.5
170.10944	3.1
171.11696	14.0
173.09592	6.0
173.13280	11.6
174.10475	2.4
175.11209	24.3
175.14931	2.4
177.07634	1.8
177.09143	3.2
178.09999	1.9
179.08574	3.2
181.10165	5.5
181.12132	1.8
182.10915	2.5
183.11714	15.1
185.09703	2.1
185.13324	9.0
187.11230	6.7
187.14883	4.7
189.12708	8.6
191.14294	2.9
193.10197	3.9
194.10925	2.7
195.11720	7.1
197.09634	2.4
197.13289	5.3
199.11275	2.6
201.12822	8.5
201.16312	3.1
203.10539	1.9
203.14337	15.2
207.11890	3.3
207.13841	11.8
209.15343	4.0
211.14844	8.9
213.12822	4.1
213.16405	2.2
215.14291	4.9
219.13850	6.0
221.13322	4.1
221.15373	76.5
223.14919	4.0
225.16647	1.7
229.15907	5.1
233.15482	4.3
234.16103	15.4
241.15811	2.8
249.12912	1.9
249.16312	2.8
251.17917	2.2
253.15944	2.3
286.19379	3.4
287.20203	9.2
299.20047	2.0
300.20892	4.9
305.51001	1.9
312.21115	2.3
329.21100	8.2
391.26508	9.3
409.27402	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88216	1.6
53.03942	4.9
54.46622	1.8
55.01863	4.0
55.05282	1.6
55.05518	20.3
57.07083	9.9
58.39850	1.6
59.04998	3.0
67.05244	1.3
67.05514	16.0
69.03420	6.2
69.07074	8.2
69.80786	3.8
69.81183	6.9
71.04975	1.6
71.08632	3.9
75.54055	1.7
75.62021	1.7
79.05141	1.5
79.05505	18.2
81.03413	3.3
81.07059	29.8
83.04984	4.0
85.06531	5.1
85.10174	3.5
91.05489	32.9
93.07052	44.1
95.04976	52.0
95.08611	29.8
97.06536	8.9
98.20893	2.2
103.05469	3.2
105.04508	2.7
105.07040	100.0
107.08601	26.1
109.06536	12.0
109.10182	10.0
115.05439	2.6
117.07033	12.9
119.04949	2.3
119.08594	66.6
121.06512	16.6
121.10161	15.4
123.08074	17.2
123.11675	1.9
128.06235	5.3
129.07005	6.6
130.07785	4.4
131.08572	21.1
133.06476	4.7
133.08582	2.2
133.10168	19.4
135.08038	10.4
135.11728	4.5
137.09599	6.0
141.06992	5.5
142.07788	10.7
143.08560	17.4
144.09383	2.8
145.06529	1.9
145.10133	37.4
146.10849	2.6
147.08060	14.4
147.11700	42.5
148.08904	1.7
149.09660	10.0
151.07558	17.2
153.07011	2.0
153.09076	2.7
155.08525	7.1
156.09349	7.1
157.10136	23.6
158.10944	3.2
159.08095	8.4
159.11699	14.1
161.09633	6.1
161.13266	5.6
163.11165	5.5
165.09119	27.4
166.07729	1.8
167.08533	3.2
167.10716	1.7
168.09312	3.1
169.10147	9.4
170.10913	4.1
171.11688	10.9
172.08702	2.0
173.09621	5.4
173.13306	6.3
175.11197	30.2
175.14867	2.0
177.09119	4.5
179.08572	2.8
181.10112	4.6
181.12241	2.7
182.10863	2.7
183.11691	9.9
185.09647	3.4
185.13300	4.2
187.11192	3.9
187.14821	2.9
189.12759	5.6
191.14282	3.2
193.10237	2.1
195.11737	3.4
197.13222	4.4
199.11229	2.0
199.14738	2.4
201.12828	10.1
203.14319	12.5
207.11961	2.1
207.13710	9.4
209.13284	3.9
209.15369	4.3
211.14786	4.0
215.14336	2.2
216.15186	2.5
219.13805	5.0
221.15370	66.4
225.12492	1.6
225.16237	2.1
229.15971	3.9
231.13864	2.7
233.13297	1.8
233.15530	2.8
234.16158	18.2
251.18007	1.8
253.15851	2.7
267.17535	2.0
287.19974	6.1
300.20905	4.0
329.21103	5.8
391.26193	7.9
409.27359	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82471	2.0
55.05505	13.1
57.03434	3.9
57.07068	5.5
62.06073	6.5
67.05504	17.8
69.03423	7.1
69.07073	11.9
69.46599	6.4
69.47022	10.4
70.06573	6.7
71.04987	5.7
72.08158	2.3
72.17301	2.5
79.05492	18.3
81.03409	4.9
81.07058	45.9
83.04969	4.2
83.08610	9.7
85.02892	16.6
85.06534	15.7
86.09692	3.2
91.05476	17.4
93.07047	43.9
95.05001	4.9
95.08609	57.0
97.02885	5.0
97.06510	4.6
97.10178	4.0
98.21245	8.6
98.97573	5.1
99.08109	8.8
101.29971	2.6
105.07035	38.2
107.08601	44.9
108.08926	2.3
109.02895	7.5
109.06538	2.5
109.10168	29.1
111.04442	3.1
111.08081	5.9
115.05504	2.3
119.08589	51.9
121.10170	18.9
123.08031	4.1
123.11717	11.6
127.03871	3.4
133.10126	54.9
135.11691	47.6
137.09625	7.9
147.04391	3.6
147.11696	20.3
149.06049	3.3
149.13260	10.4
151.11229	5.2
151.14845	2.5
153.49463	2.3
161.06032	5.9
163.14828	46.6
165.16420	10.6
167.07024	2.5
173.05734	3.5
175.07515	3.0
175.14836	89.4
181.15874	15.3
193.14249	3.1
193.15909	54.7
199.16959	9.3
203.05280	5.9
211.16949	100.0
216.10287	2.8
229.18013	47.2
247.05899	5.0
247.19052	62.6
265.11093	3.1
301.10861	2.9
331.13004	4.4
391.18137	2.6
409.10806	15.0
409.14740	18.7
409.19531	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.05521	17.4
57.07072	7.8
67.05507	25.6
67.38934	3.6
69.03387	5.3
69.07054	10.6
69.81916	18.6
77.89188	3.6
79.05488	22.8
81.07060	43.8
83.04976	5.8
91.05478	32.3
93.06492	4.3
93.07047	52.9
95.04964	42.4
95.08607	39.6
97.06517	9.2
105.07033	100.0
107.08554	26.0
109.06522	15.5
109.10146	8.2
117.07008	14.2
119.08590	61.2
121.06498	14.2
121.10147	17.8
123.08053	15.8
129.06995	7.8
131.08569	21.0
133.06465	6.3
133.10159	20.2
135.08025	7.7
135.11667	6.4
137.09625	7.0
141.06934	4.0
142.07782	9.7
143.08551	13.2
145.10126	40.0
147.08003	17.6
147.11697	33.5
149.02335	15.8
149.09595	10.5
151.07588	18.9
153.06903	6.8
155.08571	8.1
156.09239	5.3
157.10115	23.6
159.07983	4.6
159.11670	13.2
161.09602	14.2
161.13240	4.7
163.11110	5.7
165.09117	24.8
167.03365	17.8
169.10106	7.2
171.11713	9.1
173.09613	8.0
173.13216	7.6
175.11198	23.2
177.08842	4.2
179.08490	4.9
181.10213	5.9
183.11674	12.6
185.13187	10.1
189.12784	4.6
193.10143	4.1
195.11703	4.7
196.12419	5.2
196.86285	3.4
197.13237	7.7
199.14861	6.0
201.12784	9.0
201.16513	5.8
203.14291	6.6
209.13272	5.6
209.15396	5.8
211.14726	5.2
220.12413	4.3
221.13383	7.7
221.15358	62.4
223.14949	3.9
234.16177	8.6
241.66216	4.0
285.07471	11.3
287.19989	10.3
300.20764	3.5
386.78052	4.3
391.26187	7.1
393.09799	4.9
394.10519	6.2
408.11978	6.7
409.08572	4.4
409.13098	55.7
409.18701	6.9
409.21237	4.6
409.27359	51.8
410.13507	7.4
427.13821	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
53.03946	4.5
53.61677	1.6
55.01875	8.3
55.05506	9.5
57.03440	4.6
58.19319	1.6
60.13451	1.6
65.03941	3.9
67.05508	16.8
68.99796	1.8
69.03420	7.1
69.07068	3.6
69.94938	8.7
70.06585	3.8
71.04993	6.5
72.08146	2.8
72.60551	1.6
79.05502	10.0
80.05048	1.8
81.03415	3.7
81.07058	6.1
82.06582	6.1
83.04981	29.7
85.02906	5.4
87.04472	2.2
91.05482	26.2
93.03395	7.4
93.07054	18.7
94.06574	5.5
95.04987	22.1
95.08610	4.3
97.02888	3.1
97.06526	2.7
101.06012	3.2
105.07029	31.8
106.07376	2.5
107.04984	3.7
107.08578	8.5
109.02880	2.1
109.06526	5.3
109.10188	2.6
109.87764	1.8
110.06061	1.8
110.06783	1.6
111.04452	26.2
115.05420	2.2
117.07026	9.4
119.08588	35.9
119.95750	1.7
120.08118	1.8
121.02869	4.1
121.06516	9.1
121.10155	2.2
122.06045	8.9
123.08083	1.9
127.03967	2.3
128.06235	4.6
128.07079	6.9
129.05505	3.7
129.06987	19.0
131.08559	15.1
133.06496	13.0
133.09235	2.8
133.10143	26.2
134.10454	2.1
135.08057	18.2
139.03911	5.4
140.07124	11.1
141.06982	3.8
142.07813	6.8
143.08577	20.9
145.06529	3.4
145.10135	6.9
147.08102	12.4
147.11720	11.6
151.07584	2.5
153.09109	2.4
154.04999	21.9
154.08641	2.6
155.08557	4.7
156.09357	2.7
157.04984	2.1
157.06480	2.8
157.10143	32.8
158.07336	2.2
159.08040	2.8
161.05920	1.9
161.09627	87.8
161.13280	2.9
163.07578	6.4
163.11189	1.9
166.07794	2.1
169.25801	1.9
171.08044	6.1
171.11705	37.5
173.09628	7.7
173.13313	2.9
175.07513	2.1
175.11191	50.4
178.04979	11.9
181.10104	5.5
184.08806	4.1
189.09148	2.7
189.12762	52.6
193.12372	2.6
194.12738	2.0
199.11208	40.7
206.04474	14.2
210.07790	2.3
211.13208	2.6
212.13683	4.7
217.12248	100.0
222.03952	2.6
235.13290	55.2
238.07123	8.1
239.54584	1.8
289.08163	2.7
313.08167	2.2
331.09305	2.5
345.10788	4.0
363.04840	2.0
363.18192	10.4
377.13538	2.7
391.17621	5.1
395.51035	1.9
409.10995	3.2
409.12589	2.3
409.18576	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01861	2.2
55.05522	17.3
56.26809	1.3
57.07083	7.9
57.19889	1.4
59.04986	4.6
64.19847	1.7
65.03950	2.8
67.05511	20.8
67.58810	1.3
69.03425	5.6
69.07090	8.8
69.61996	1.9
71.08614	4.1
72.23139	1.4
77.03864	2.1
79.05499	22.5
81.03430	2.8
81.07063	34.9
83.04975	4.3
83.08620	3.7
85.06538	4.5
88.24973	1.5
91.05492	38.6
93.06488	2.8
93.07053	42.7
93.87003	1.5
95.04983	44.6
95.08614	30.8
97.06522	6.4
103.05457	3.0
105.07042	100.0
107.04929	1.5
107.08603	22.0
109.06528	9.4
109.10174	11.7
111.08129	1.6
115.05447	4.1
117.07014	12.2
119.04939	3.1
119.08598	63.1
120.09386	2.3
121.06506	16.1
121.10155	16.3
123.08078	16.7
123.11728	1.7
125.05942	1.7
128.06215	3.9
129.07014	9.2
130.07747	3.7
131.08589	22.4
133.06471	4.9
133.10153	19.9
135.08080	12.0
135.11687	5.9
137.09604	6.7
137.13258	4.1
141.06999	2.4
142.07803	13.4
143.07613	2.1
143.08578	16.9
144.09332	3.1
145.06496	3.3
145.10141	37.0
146.10968	2.5
147.08061	13.0
147.11703	43.1
149.09645	12.3
149.13249	2.1
151.07556	15.1
153.05531	1.6
153.09116	2.8
155.08508	7.2
156.09322	5.9
157.10135	20.7
157.93265	1.5
159.08086	4.3
159.11720	15.5
160.08878	1.8
161.09644	7.3
161.13252	5.5
163.11206	3.3
165.09138	32.5
167.08563	2.6
168.09328	2.5
169.10149	7.8
170.10901	3.1
171.11693	6.6
172.12479	2.0
173.09575	6.2
173.13252	8.4
175.11197	32.2
175.14832	3.0
177.09138	4.1
179.08510	2.7
181.10129	3.6
181.12238	2.7
182.10912	2.2
183.11729	11.8
185.09610	2.2
185.13316	5.5
187.11172	3.6
187.14847	5.5
189.12740	6.1
191.14336	3.2
191.17899	2.0
193.10167	2.8
195.11688	3.8
197.09627	1.7
197.13252	5.5
199.11095	3.5
199.14787	2.3
201.12756	11.0
201.16550	2.1
203.14293	13.6
203.18069	1.7
207.11746	2.8
207.13828	7.1
209.13293	3.0
209.15306	3.0
210.13919	1.8
211.14798	5.0
213.12708	2.4
213.16367	1.9
215.14322	2.3
216.15024	2.0
219.13837	4.8
221.15381	70.6
225.12708	2.2
225.16162	2.3
227.14255	2.1
229.15865	5.5
231.13902	3.0
233.15407	3.1
234.13943	2.4
234.16142	18.6
239.18102	1.7
249.16333	3.1
253.15900	2.8
286.19388	2.3
287.20026	5.9
297.70322	1.5
299.20062	1.9
300.20905	4.4
312.20969	1.9
329.21130	4.9
335.20084	2.3
391.26239	6.8
409.27313	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01866	4.1
55.05516	12.0
56.05857	2.6
57.03442	5.4
62.06089	5.0
67.01887	3.0
67.05518	10.8
69.03419	8.1
69.07065	9.9
69.36629	4.3
69.37038	12.5
70.06590	5.1
71.04994	5.0
72.08170	4.3
75.26297	2.1
78.01784	2.4
79.05492	9.2
81.03465	2.0
81.07066	31.1
83.04984	4.7
83.08627	11.0
84.04505	6.3
84.08128	3.1
85.02915	15.3
85.06541	10.0
86.09696	3.0
87.00850	2.2
88.03991	2.8
91.05492	10.5
93.07052	22.0
95.05003	4.8
95.08621	29.4
97.02896	6.1
97.06556	3.1
98.97548	2.9
99.04470	3.6
99.08111	27.4
105.07050	18.8
107.08602	50.4
109.02901	4.8
109.06511	2.8
109.10178	12.9
110.07191	3.2
111.08094	7.5
113.09659	3.1
116.01684	4.1
119.08600	29.2
120.08126	6.2
121.10152	18.7
121.95834	2.0
122.06029	2.2
123.08051	4.3
123.11710	8.6
125.09639	2.8
127.03910	4.2
133.10146	43.0
134.10448	2.1
135.11711	29.1
137.09618	6.9
141.09091	2.7
144.01172	3.1
147.11690	8.1
149.13200	4.7
154.05011	4.7
155.10684	2.3
159.08281	3.2
161.13295	2.5
162.02238	10.0
163.02597	4.0
163.14841	100.0
165.16386	2.1
175.14850	49.1
176.15155	3.7
181.15886	34.6
186.06625	3.7
193.15904	34.7
199.16933	36.7
211.15120	4.2
211.16983	51.6
212.17453	2.4
229.09557	3.1
229.18033	30.4
239.08188	3.5
243.11282	3.3
244.09706	2.5
247.06052	8.4
247.14294	2.8
247.19067	7.6
253.09839	4.1
259.10977	2.8
262.11142	7.2
263.11377	5.1
267.11212	3.7
271.10889	13.1
275.07745	8.1
280.14142	3.0
285.08905	2.2
285.12314	4.3
289.11490	3.1
313.11874	4.9
323.10318	3.9
331.12909	8.1
335.12234	2.8
341.11356	9.8
345.14722	2.8
355.12872	3.0
373.14008	9.4
391.14914	11.3
409.16373	56.4
410.16562	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	7.6
55.05527	7.7
57.03440	3.9
61.02946	1.2
62.06105	3.0
65.03952	4.2
65.68446	1.2
67.05523	14.4
68.99812	1.3
69.03445	18.6
69.07066	2.7
71.05002	2.4
71.51664	1.5
79.05503	10.5
81.07059	9.7
82.99474	1.2
83.04994	15.1
84.08147	1.4
85.02920	7.5
85.06557	1.4
87.04501	1.6
91.05497	31.3
93.03419	3.9
93.07056	18.3
94.99466	1.3
95.04990	7.3
95.08619	6.0
96.08947	1.5
97.02888	2.8
97.06548	2.3
99.04479	1.2
99.08099	1.3
105.07053	36.1
107.04955	2.1
107.08621	8.0
108.08957	1.7
109.02847	1.4
109.06546	3.5
109.10198	2.9
111.04475	9.4
115.05476	2.1
117.07026	10.5
119.08606	39.8
120.08936	4.0
121.06512	7.3
121.10120	1.6
122.10465	1.8
123.08096	2.4
125.08769	2.4
125.09654	38.5
126.09995	2.3
127.03956	2.1
128.06255	4.8
129.05513	2.9
129.07025	19.9
131.08595	15.0
133.06514	12.1
133.10144	27.0
134.07277	1.4
134.10515	3.9
135.08081	18.4
135.11708	2.5
136.12018	1.5
137.05951	1.5
139.03966	2.5
140.85959	1.2
141.06984	3.0
142.07794	13.1
143.08597	20.9
145.06505	4.2
145.10136	6.9
146.07266	1.5
147.08086	11.2
147.11720	13.9
149.09590	1.5
151.07570	4.1
153.07028	2.3
153.09120	2.2
155.08571	6.1
155.10692	3.4
156.09375	4.3
156.11108	1.4
157.06494	2.2
157.10156	34.0
159.08139	2.1
161.05992	2.8
161.09651	89.6
163.07620	7.7
163.11234	1.6
165.07037	1.6
166.07837	3.5
171.08092	6.2
171.11719	42.6
173.09651	7.3
173.13298	2.3
175.07625	3.3
175.11221	55.2
175.14854	5.7
176.15196	9.9
181.08789	1.6
181.10178	8.5
184.08838	2.2
189.12776	56.3
193.12198	1.8
193.15965	3.2
194.16264	4.9
199.11215	40.0
211.16985	15.7
212.17247	1.9
217.12279	92.9
229.18047	7.6
235.13356	30.5
247.19156	4.0
283.03705	1.2
363.18143	5.1
391.17776	8.7
392.11029	1.6
409.18668	100.0
410.18848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72562	0.7
54.22195	0.7
69.03431	0.8
69.50069	4.9
74.04930	0.7
82.99850	2.7
85.01449	0.7
97.01385	1.3
100.07624	1.5
101.00898	14.4
101.12978	0.7
102.53979	0.6
103.02466	0.8
105.07079	0.6
113.00893	3.9
115.02447	3.2
119.01949	10.0
125.00900	1.1
127.02430	14.6
129.00410	1.0
131.01953	5.4
133.03505	2.5
137.00871	3.0
138.03795	0.6
139.02425	4.3
143.00882	0.8
143.01929	10.8
145.03488	30.7
146.08138	2.7
147.01405	1.5
149.82384	0.7
155.01920	23.0
157.03493	16.2
159.05121	1.4
161.02992	7.7
163.04553	2.2
167.01906	7.1
169.03470	5.5
171.01529	0.9
171.05118	1.7
173.03011	12.6
175.04538	3.3
181.03516	2.4
183.05031	1.5
185.03004	15.4
187.04550	4.8
197.02991	3.2
199.04568	1.9
201.06096	0.8
203.04057	8.4
209.03000	2.3
211.04553	2.4
213.06146	0.8
215.04054	3.3
217.01849	0.8
217.05624	1.4
220.46246	0.8
221.03078	1.5
221.05084	4.7
223.04466	0.9
227.04085	2.5
229.07373	2.2
235.06665	34.1
237.29395	0.8
239.03972	2.2
246.45586	0.8
247.08675	0.9
253.07724	14.8
257.05081	1.1
269.05167	2.0
271.06677	2.3
277.07736	1.9
287.06189	2.0
289.04279	1.0
289.07782	1.7
291.09271	1.1
299.06128	1.2
301.07593	5.3
303.09143	3.7
307.05319	0.9
313.07846	0.9
319.08807	41.2
320.09122	0.9
321.10397	1.6
331.08734	3.8
347.08029	0.8
349.09848	100.0
350.10022	1.8
367.10938	7.0
390.12396	1.0
391.07050	1.1
409.10870	14.8
409.15854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Ixerisoside D
Peak:m/z	Relative Intensity
56.37952	0.3
66.69801	0.3
67.05501	0.6
69.03414	0.5
69.07073	0.5
69.26008	1.7
69.26409	1.0
70.06586	0.4
70.25157	0.4
72.19176	0.3
79.05468	0.4
81.03430	0.7
81.07070	0.4
93.07044	0.5
95.08581	0.6
97.06557	0.4
105.07043	0.6
107.08601	0.5
109.06480	0.4
109.10177	0.9
119.08559	0.5
131.08585	0.4
133.10173	0.5
134.07008	0.3
135.08015	0.4
151.07567	0.8
156.63477	0.3
161.06116	0.4
162.06525	0.8
173.05733	2.4
203.05255	4.0
212.17209	0.4
217.12276	0.6
229.12027	10.0
230.12250	0.5
247.13087	3.7
301.16376	0.4
347.16794	0.8
409.18347	100.0
410.18799	1.4
410.60352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	4.5
55.05516	7.6
57.03436	2.5
65.03935	4.6
67.05182	1.1
67.05514	11.6
68.99770	0.8
69.03440	7.3
69.07061	1.9
71.04999	2.4
71.52288	1.3
79.05500	8.4
81.07069	5.4
83.04988	21.8
85.02918	5.5
85.06530	1.2
87.00849	1.2
87.04455	1.1
91.05493	19.7
93.03412	5.6
93.07053	9.2
95.04980	5.2
95.08603	2.2
97.02869	1.2
97.06542	2.0
99.08110	1.3
103.05488	1.1
105.04350	0.8
105.07042	25.0
107.04951	2.7
107.08580	5.1
109.02837	1.2
109.06534	4.0
109.10121	1.1
111.04451	18.4
115.05457	1.6
117.07030	7.5
119.08591	23.3
121.02861	2.1
121.06557	6.7
121.10133	1.5
123.08051	1.2
125.09649	9.8
126.09999	2.5
127.03956	1.4
128.06229	2.8
129.05489	3.4
129.07016	12.8
130.07867	0.8
131.08586	13.0
133.06512	11.2
133.10136	18.5
134.07266	1.0
134.10474	1.1
135.08084	10.0
136.12041	1.0
137.05969	1.0
139.03888	4.3
141.07056	2.3
142.07808	6.0
143.08572	14.8
145.06493	1.7
145.10091	5.5
147.08060	9.4
147.11703	11.3
149.09715	1.0
151.07547	3.3
153.09167	1.4
155.08594	3.2
156.09367	2.0
157.10138	25.8
158.07356	0.9
159.08084	1.7
161.05957	1.5
161.09642	45.9
161.13272	2.5
163.07588	6.6
165.09190	0.9
166.07805	1.5
169.10139	1.1
171.08122	4.7
171.11707	23.4
173.09721	5.2
175.07599	2.9
175.11200	35.2
175.14763	1.1
176.15187	1.7
181.08658	1.3
181.10114	5.3
184.08783	1.2
189.09180	1.2
189.12759	31.0
193.08687	0.9
193.15948	2.0
194.16278	4.0
199.11201	26.1
207.13843	2.3
211.16980	3.6
212.17352	1.1
217.12263	53.9
229.18095	1.6
235.13313	47.6
237.14978	0.9
247.19139	0.9
331.12555	1.1
350.80426	0.8
363.18112	5.6
391.17749	6.1
409.18616	100.0
410.18445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.4
57.03439	3.6
57.07109	2.1
58.57347	2.1
62.06095	5.0
62.31782	2.0
67.05511	10.8
69.03441	8.6
69.07082	14.0
69.27684	17.7
71.04987	2.9
78.78214	1.8
79.05508	5.6
81.07069	24.9
83.04989	4.9
83.08661	2.6
84.08115	2.8
85.02927	18.8
85.06562	4.6
86.09732	3.8
87.00843	3.2
90.28524	2.1
91.05500	16.4
93.07077	20.2
95.04996	2.3
95.08620	27.5
97.02909	5.0
97.06569	4.7
99.04515	3.3
99.08128	5.9
105.07051	30.3
107.08606	38.8
109.02898	2.9
109.10182	22.3
111.04449	3.6
111.08113	3.2
117.07101	2.2
119.08607	63.7
120.08129	2.4
121.10158	10.7
123.08102	3.1
123.11723	6.2
125.09653	31.1
127.03955	7.5
131.08601	3.9
133.10153	47.0
135.11711	16.7
137.09656	7.1
140.39780	2.0
141.58685	2.0
143.08562	4.1
143.10709	3.8
145.10175	3.1
147.08112	2.4
147.11714	17.7
149.13277	9.0
155.10690	36.4
156.89120	2.2
157.10155	3.6
161.09673	9.2
163.14835	5.1
171.11777	4.8
175.11346	5.4
175.14857	100.0
176.81761	2.0
189.12755	7.2
193.15910	61.4
199.11131	3.7
211.13344	4.7
211.16960	16.7
217.12265	11.4
228.10057	3.0
235.13466	4.0
409.18610	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32968	2.8
55.05499	7.3
57.07083	96.1
58.38953	2.7
59.05008	31.2
67.05511	3.7
69.07078	5.3
71.08638	100.0
71.52137	3.3
73.02927	33.1
79.80639	3.1
81.07063	4.4
83.08617	4.9
85.10190	80.0
87.04461	3.5
89.06043	11.7
89.53649	2.7
95.08590	7.2
99.11732	11.6
105.07026	3.1
109.10184	4.5
113.00044	33.6
117.09141	11.4
133.08615	4.1
139.07631	3.6
141.16414	5.2
157.85945	2.8
166.54355	2.9
169.02637	23.7
170.02965	7.5
184.33830	3.1
195.12285	6.1
199.20618	11.2
257.24670	9.1
339.54684	3.2
363.30875	3.3
390.34641	4.4
408.35922	15.8
426.57193	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72020	4.0
71.44738	1.5
101.00895	10.7
113.00934	1.8
119.01938	5.1
127.02419	9.6
128.67853	1.3
131.01913	3.2
133.03519	1.5
139.02426	3.0
143.01929	5.0
145.03476	18.9
146.08122	1.5
155.01903	12.4
157.03488	7.9
161.02995	4.3
167.01868	3.4
169.03520	2.7
173.02934	6.7
183.05118	1.7
185.02873	10.4
187.04469	3.3
203.03963	7.4
215.04033	1.9
221.05095	2.1
227.03999	2.0
235.06639	17.9
253.07724	6.7
257.05246	1.7
269.05096	1.5
301.07651	3.3
319.08789	26.0
331.08688	2.1
349.09830	58.1
367.10904	4.2
409.11096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83548	0.8
52.87521	0.7
70.85812	1.8
70.86161	1.3
70.99865	1.2
71.75416	0.7
77.00879	1.1
82.99870	2.1
85.01402	0.8
85.02868	0.9
97.01388	1.9
101.00278	1.5
101.00887	15.3
108.62415	0.8
113.00868	4.0
115.02435	3.4
119.01944	10.4
119.50041	0.8
125.00871	1.4
127.02429	16.9
131.01909	3.5
133.03476	2.4
135.66530	0.8
137.00853	3.2
139.02393	5.4
141.04018	0.9
143.01906	10.4
145.03476	32.2
147.01376	1.1
155.01903	22.2
156.02078	0.8
157.03476	18.4
159.01375	0.9
159.05060	1.4
161.02980	7.1
163.04527	1.1
167.01927	7.8
169.03525	5.0
171.05086	1.7
173.01605	1.2
173.02985	12.6
175.04555	4.1
181.03548	1.8
183.05034	1.0
185.02948	15.2
185.34290	0.8
187.04523	2.9
193.03438	0.9
194.35895	0.8
197.02971	4.6
199.04486	1.8
203.04030	9.5
209.02953	2.5
211.04494	2.8
215.04053	3.3
217.05644	1.8
221.02966	1.7
221.05075	4.3
223.04575	1.3
227.03937	2.5
235.06645	31.1
239.04042	2.6
253.07716	13.7
257.05093	1.5
269.05084	2.4
271.06491	1.6
277.07715	1.1
287.06210	1.8
289.07721	1.6
291.09265	1.5
301.07666	6.5
319.08759	45.1
331.08667	3.5
349.09830	100.0
350.10208	1.9
367.10861	7.9
409.11365	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	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31473	1.0
55.05507	3.1
61.65205	1.3
67.05499	4.6
69.03428	2.7
69.07082	7.5
69.78735	4.3
71.04980	3.8
77.56425	1.1
79.05489	5.6
81.07060	20.1
82.06551	1.4
83.04981	2.0
83.08607	3.5
84.04494	2.5
85.02921	6.1
85.06535	4.4
86.09714	5.8
86.10193	1.2
91.05487	5.2
93.07035	13.5
95.08617	19.3
97.02904	2.3
98.20779	1.4
99.08091	2.6
105.06399	2.3
105.07041	25.3
107.08594	23.4
109.10148	11.3
119.08594	52.7
120.08108	4.6
121.10162	8.8
123.08082	1.2
123.11706	9.0
129.06612	1.3
131.08548	1.6
133.10144	48.6
135.11703	47.9
135.12740	2.9
137.09642	1.8
147.11649	6.5
149.13210	4.2
155.10709	2.9
163.14835	39.1
165.16632	1.3
166.08681	1.5
175.14841	100.0
181.15837	8.2
193.15891	65.3
193.17674	2.2
195.69733	1.3
211.16942	71.6
215.13872	2.7
229.18007	96.8
300.15753	1.6
346.16400	1.9
390.13794	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01881	3.3
55.05521	9.4
57.03432	5.3
57.03696	2.6
62.06110	2.1
67.05516	12.0
69.03455	9.6
69.07074	11.8
70.06601	3.5
71.04993	5.7
71.50991	3.6
73.02937	2.3
73.34029	2.0
74.46675	1.9
79.05495	15.5
81.03417	6.0
81.06659	2.9
81.07068	30.9
82.06582	4.9
83.04986	5.0
83.08608	8.3
85.02918	19.7
85.06547	11.6
86.09721	4.5
86.93600	1.8
87.00816	4.3
91.05482	17.7
93.07053	28.2
95.04956	4.0
95.08607	33.1
96.21056	1.8
97.02885	9.1
97.06521	6.6
98.21165	2.2
98.91537	2.1
99.04446	4.7
99.08123	4.9
105.01844	3.6
105.07040	39.4
106.02929	3.3
106.24628	2.1
107.08599	59.4
109.02901	5.7
109.06574	9.4
109.10165	13.0
111.04392	2.8
111.08075	2.6
119.08594	62.4
121.06493	7.9
121.10155	15.9
123.08064	12.9
123.11700	8.5
124.03943	5.8
125.05990	4.8
125.09644	55.1
126.05534	2.8
127.03909	6.2
128.07089	4.9
131.08607	3.2
133.06541	2.7
133.10138	49.3
135.08096	2.6
135.11723	20.3
137.09618	5.0
143.10696	4.1
147.11685	14.7
149.13248	8.1
163.14836	18.3
165.12770	4.1
173.13292	2.2
175.11217	7.5
175.14833	100.0
181.15843	2.7
183.51186	2.0
192.95085	2.2
193.12250	8.9
193.15892	45.4
201.58466	1.9
211.13342	23.1
211.16933	22.0
228.10191	3.3
229.14384	20.9
229.17889	3.2
233.15265	2.1
246.11314	5.7
257.31830	1.9
312.12802	1.9
357.25372	1.8
408.20642	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	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01867	3.5
55.05524	8.5
57.03440	3.1
59.05007	2.6
62.06092	3.7
65.03950	3.5
67.05508	22.7
69.03449	12.7
69.07060	7.4
69.33990	18.8
70.06626	5.9
71.05012	29.8
79.05495	16.2
81.03427	4.7
81.07067	22.0
82.06593	80.4
83.05005	12.1
83.08601	2.6
85.02917	26.2
85.06568	4.6
86.09717	11.8
87.00867	5.3
87.04469	3.5
91.05484	29.9
93.07050	20.0
95.04961	8.4
95.08631	16.4
97.02909	9.2
97.06511	5.4
99.04455	7.9
99.08104	4.0
100.07621	19.7
105.01884	11.8
105.07044	29.5
107.05016	4.0
107.08612	16.5
108.33967	2.7
109.02896	11.5
109.06557	7.9
109.10180	6.8
109.31651	2.4
111.04444	3.9
116.07087	2.9
117.07043	6.4
119.08595	30.8
120.08125	5.4
121.10166	12.7
123.04443	4.2
123.08121	6.8
125.06006	7.0
125.09665	8.8
127.03923	13.2
128.07098	100.0
131.08586	8.1
133.06505	7.2
133.10155	78.2
134.10481	3.1
135.08098	5.8
135.11732	11.6
137.05994	4.5
137.09660	5.0
143.08533	3.3
145.04999	5.9
145.10139	4.8
147.08005	7.7
147.11702	22.7
149.09668	7.1
149.13261	5.2
151.11200	7.3
154.05017	9.4
157.10162	6.7
159.08083	3.3
160.07590	3.3
161.09654	12.5
163.07533	4.3
165.09128	2.8
165.12856	3.2
171.11755	4.0
173.13458	3.2
175.11263	22.5
175.14806	24.1
177.09163	2.8
189.12822	7.2
193.12271	56.4
193.15912	37.3
199.11208	5.0
203.10727	3.9
206.04533	5.0
211.13332	64.7
211.16751	5.4
217.12331	14.4
229.14430	7.1
235.13356	8.5
242.10292	3.2
246.11304	4.1
316.10168	4.7
390.13724	13.8
390.18872	4.4
408.20267	70.3
409.18591	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01869	0.7
62.06076	2.0
65.03938	0.6
65.11859	0.5
69.03419	1.6
69.40050	0.4
70.06575	1.6
71.07865	0.7
72.08144	0.9
73.02929	0.6
73.32148	0.5
78.04698	0.6
79.05489	1.0
81.03407	1.3
81.07040	0.8
83.04978	0.7
84.08129	0.6
85.02907	4.3
86.09725	0.5
86.61488	0.4
91.05475	1.3
93.07029	0.9
95.04945	1.0
97.02877	1.5
99.04463	0.7
105.06992	0.7
107.04948	0.9
107.08602	0.7
109.02859	0.7
116.07100	0.5
119.08624	0.5
121.06509	1.7
122.10471	0.6
123.04408	2.3
124.05233	0.7
125.09581	0.5
127.03906	0.8
131.04889	0.5
133.06500	1.1
137.06007	1.1
145.02849	0.7
145.04951	0.8
147.04408	0.7
149.05977	1.7
149.32907	0.5
151.03952	0.8
152.04651	0.7
153.09131	0.4
160.07600	0.6
161.05980	1.3
161.09818	0.5
161.13290	0.4
162.13522	0.5
165.09129	0.7
167.07047	100.0
168.07368	1.0
177.05498	0.6
179.07068	0.5
181.08624	3.0
188.08417	0.6
190.09947	1.6
193.08598	3.4
199.07001	0.5
211.09669	16.3
229.10745	12.7
246.11392	0.7
283.12521	0.6
408.19437	0.8
409.10953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05509	3.3
57.03440	1.5
61.02916	2.0
66.06367	0.7
67.05512	7.8
69.03434	4.4
69.07072	5.4
69.99215	2.1
69.99601	1.4
71.04984	0.8
71.35860	0.9
73.02922	1.1
79.05502	5.1
81.03433	2.0
81.06589	1.7
81.07063	32.0
83.05005	1.7
83.08631	4.7
85.02910	13.9
85.06534	2.3
89.49226	0.9
91.03955	1.0
91.05482	8.3
93.07050	3.6
95.08614	6.6
97.02898	4.1
97.06532	2.4
99.04441	1.0
99.08100	1.7
100.11265	0.8
105.07041	16.1
107.08600	5.9
107.55003	0.9
109.02895	1.0
109.06528	2.8
113.05994	2.0
116.89265	0.8
119.08593	11.6
121.10145	12.8
123.08113	1.7
123.11720	19.0
127.03916	2.0
127.07558	4.0
131.08536	0.8
133.10179	1.1
137.13284	1.7
141.09091	1.4
145.04959	2.3
147.11699	51.0
157.10231	0.9
162.13165	0.9
163.05914	1.1
165.12766	35.8
165.14160	1.8
175.11198	1.5
180.08719	3.2
183.13821	14.0
193.12247	4.5
211.13286	10.6
222.65935	0.9
227.86568	1.0
229.14366	100.0
229.70070	0.9
325.21152	0.8
346.16486	2.5
430.96667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.05518	9.5
57.07077	5.3
65.20525	1.3
67.05510	21.7
69.07075	20.6
69.25474	9.9
69.25826	2.0
71.08631	1.7
79.05499	10.4
81.07064	44.3
83.08623	8.0
91.05479	10.7
93.07054	23.2
95.08615	82.3
97.10165	5.6
98.20729	1.8
100.43051	1.0
103.21336	1.1
105.07043	25.7
107.08603	41.6
109.10167	67.5
111.11732	3.5
114.28539	1.0
117.07037	4.1
119.08598	37.7
121.10155	36.0
123.11713	24.4
131.08578	7.3
133.09129	1.9
133.10143	37.8
135.11708	27.0
137.13258	14.7
143.08562	3.9
145.10149	13.7
147.11696	25.2
147.12817	1.8
149.13258	16.4
151.14806	2.2
157.10147	4.4
158.10925	1.4
159.11700	14.8
160.76146	1.2
161.13271	20.8
163.14868	12.0
169.10121	1.2
171.11691	4.0
173.13277	10.9
175.14842	11.6
177.16373	17.7
179.18019	3.3
185.13272	3.8
187.14825	7.7
189.16386	22.4
191.17953	18.2
196.51378	1.1
199.14873	4.0
201.16399	15.4
203.17967	25.2
205.19513	7.0
213.16423	3.9
215.17944	9.5
217.19513	28.0
219.21063	1.5
227.18013	5.7
229.19507	12.4
231.21118	5.7
241.19633	4.4
243.21054	6.1
245.22751	4.2
255.21169	9.0
257.22638	8.8
267.20929	1.5
269.22589	12.6
271.24338	5.1
283.24283	4.3
297.25784	2.2
311.27332	1.1
323.27191	1.4
337.17209	1.2
337.28690	1.6
364.31140	1.3
365.32373	1.4
407.16293	1.5
407.25012	3.4
407.36786	100.0
408.37122	2.4
426.54510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.048
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18546	0.3
66.86015	0.3
66.95333	0.2
71.14137	0.2
82.99845	0.4
83.71975	0.2
101.00881	2.4
119.01145	0.5
119.01929	4.9
134.99870	0.4
137.02969	0.8
158.99901	1.5
165.16252	0.3
175.03096	0.3
177.00966	13.0
182.99948	1.0
193.03934	0.3
201.00934	2.2
209.12866	0.3
217.04086	2.7
219.02019	22.4
220.02145	0.7
225.00861	3.0
225.38847	0.3
234.99976	0.4
243.02019	12.1
244.02106	0.3
259.00000	0.9
260.00201	0.8
261.03082	100.0
262.03183	3.3
263.03195	0.9
264.98834	0.3
273.01752	0.3
278.01254	0.5
282.99936	2.3
283.05032	0.3
284.00110	1.3
284.04639	1.9
284.99817	0.8
301.00998	2.1
302.01218	0.9
303.00879	0.8
367.02020	3.0
385.03201	21.1
386.03366	1.2
403.04288	19.7
404.04263	0.8
408.04730	0.8
426.01169	0.6
427.01120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
53.33135	1.1
55.01862	1.5
56.05026	1.1
57.03436	3.1
59.90043	1.1
61.02921	2.4
69.03437	9.8
70.06584	2.1
71.04983	1.8
71.52036	1.7
72.08168	1.5
73.02914	2.7
79.77184	1.1
81.03408	4.4
83.04977	1.5
84.04492	1.7
85.02899	11.0
86.06031	1.6
87.00819	1.3
91.05476	1.8
97.02891	6.7
97.06512	1.8
99.04468	3.2
103.04025	1.2
105.07008	1.2
109.02883	5.1
115.05464	16.6
121.06509	1.4
123.72458	1.4
127.03928	9.0
130.06523	3.4
132.08072	4.9
137.05959	2.2
142.06535	100.0
143.07327	8.9
144.01129	1.2
144.08044	7.3
145.04941	1.9
147.04370	1.8
158.06023	3.3
159.06769	3.2
160.07596	81.3
167.07022	3.3
171.16617	1.1
182.06332	1.2
187.05991	2.6
188.07068	1.7
195.57838	1.3
215.83287	1.2
228.06941	2.8
246.02734	1.4
246.07979	1.8
294.04843	2.8
322.12793	5.1
364.13925	34.3
397.67474	1.2
408.08179	3.7
408.12827	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	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15579	0.9
55.05516	30.0
56.05023	1.0
58.99296	1.1
58.99588	15.2
65.37267	0.9
65.85542	0.8
70.90003	1.8
73.01147	1.7
73.06002	0.9
76.02235	5.4
76.03979	2.9
79.05499	1.5
81.07037	2.8
83.06099	2.1
83.08626	42.0
84.04507	22.6
86.99068	11.2
88.02203	3.1
99.05558	1.5
101.04207	1.0
101.09659	1.8
107.08635	1.2
114.59881	1.0
115.05759	1.2
116.01683	53.7
118.01231	1.5
120.08082	1.1
129.06584	3.9
129.07408	1.2
130.05019	5.7
140.56279	1.0
141.07320	1.2
142.03210	3.1
144.00006	1.6
144.01154	32.5
145.06042	1.2
151.29712	0.9
156.04831	1.2
156.10159	1.0
158.08002	1.6
159.06406	1.2
159.08406	34.0
162.02216	100.0
163.02504	0.9
176.11058	3.9
179.04906	1.1
181.04288	0.9
187.05481	1.1
187.07744	0.9
204.74770	0.9
209.11772	1.0
212.78549	1.1
222.90886	0.9
244.09857	1.5
261.10608	6.0
262.11099	56.1
272.80804	0.9
279.13733	29.0
283.82990	0.9
333.14816	16.4
391.15350	1.6
408.17987	9.1
423.69785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03951	1.8
55.05319	1.0
55.05515	10.5
57.07089	5.1
65.03936	1.2
67.05508	21.7
69.06730	1.5
69.07073	20.8
70.57034	2.7
71.08636	1.3
79.05496	9.5
81.07060	47.5
83.08625	10.6
91.05473	9.3
93.06482	1.6
93.07047	24.6
95.04984	1.4
95.08614	86.9
97.10172	5.8
97.93894	1.2
103.05467	1.1
104.56350	0.9
105.07040	27.0
106.94213	0.8
107.08605	41.4
109.10166	60.4
111.11726	3.9
117.06994	3.4
119.08588	32.5
121.10152	35.4
121.11040	1.8
123.11714	26.9
125.13273	1.4
129.07007	1.3
131.08572	7.4
133.10141	35.8
135.11707	23.4
137.13263	17.6
143.08582	3.3
145.10138	12.7
147.10515	1.2
147.11703	23.1
149.13284	16.8
151.14784	1.7
157.10127	5.0
158.50993	1.0
159.11716	16.4
159.42484	0.9
161.13271	21.9
163.14828	14.1
165.16447	1.0
171.11679	4.0
173.13266	11.8
175.14850	12.2
177.16399	18.9
179.17995	2.5
183.11635	1.0
185.13254	4.3
187.14853	8.7
189.16386	20.0
191.17961	18.0
199.14850	3.6
201.16397	15.2
203.17976	25.7
205.19527	6.5
211.14798	1.1
213.16435	5.6
215.17931	9.2
217.19531	31.3
219.21080	1.8
227.17982	6.8
228.18680	1.0
229.19540	13.3
231.21085	6.5
241.19444	5.6
243.21094	6.8
245.22713	2.3
246.16014	0.9
255.21098	12.1
257.22681	12.5
269.22644	12.3
271.24188	3.2
283.24124	5.7
297.25781	3.3
309.25674	1.5
312.36752	1.1
323.27451	1.8
334.37561	1.4
337.29047	1.5
364.31213	1.4
364.51489	1.0
365.32080	1.3
407.36749	100.0
408.37076	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03947	2.0
54.43350	1.2
55.05517	9.2
55.39899	1.2
55.84468	1.3
57.07072	4.5
64.90235	1.4
65.03958	1.4
67.05508	21.6
69.06731	1.9
69.07071	19.9
69.50244	1.1
69.50546	9.9
79.05513	7.9
81.06592	2.3
81.07062	45.4
83.08624	8.7
91.05485	10.0
93.06503	1.6
93.07054	22.3
93.92549	1.3
94.74699	1.3
95.08615	90.5
96.90180	1.3
97.10165	6.2
105.07037	23.4
107.08600	40.7
109.10168	65.3
111.11736	2.1
117.06990	3.8
119.08586	33.1
121.10161	38.9
123.11724	29.1
131.08586	6.9
133.10146	38.6
135.11694	25.9
137.13258	18.1
143.08517	4.0
145.10144	14.1
147.11682	24.6
149.13266	15.5
151.14821	4.3
157.10118	4.6
159.11690	14.6
161.13274	22.3
163.14864	13.3
171.11714	3.9
173.13280	12.4
175.14838	11.8
177.16417	15.8
179.17940	3.8
185.13344	3.8
187.14816	9.5
189.16437	19.2
191.17961	19.2
199.14856	3.1
201.16396	12.4
203.17972	26.6
205.19492	7.6
213.16402	4.1
215.17999	9.2
217.19528	30.8
227.18018	5.0
229.19521	14.0
231.21086	6.7
241.19525	4.2
243.21051	7.7
245.22694	2.7
255.21066	11.9
257.22644	9.4
269.22632	12.7
271.24261	4.6
283.24380	4.3
297.25839	3.7
311.27298	1.7
351.30444	3.1
365.32019	1.7
380.18289	1.5
391.42023	1.6
402.74359	1.7
407.24396	11.5
407.36746	100.0
408.36859	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34058	1.3
55.05511	13.5
57.07075	5.8
59.61079	1.2
65.03930	1.8
67.05510	24.7
69.07072	19.5
70.12740	5.2
79.05505	9.5
81.07063	42.6
83.08630	10.6
91.05485	8.6
93.07045	22.7
95.04958	2.7
95.08614	79.3
97.10168	6.0
98.21384	1.5
105.07043	26.8
105.16185	1.1
107.08601	39.0
109.06503	1.7
109.10161	56.7
111.11716	3.5
117.07023	3.3
119.08587	38.0
121.10149	30.1
123.11717	24.0
125.13296	1.7
130.07756	1.8
131.08600	9.5
133.10146	35.5
135.11696	23.5
137.13258	15.3
141.45576	1.1
143.08560	3.9
144.09369	1.8
145.10117	13.4
147.11705	21.6
149.13246	17.2
151.07666	1.4
151.14835	4.2
157.10135	5.0
159.11702	16.3
161.13266	25.3
161.91420	1.2
163.14830	12.4
171.11691	4.8
173.13257	11.3
175.14825	10.8
177.16405	18.8
179.18015	2.9
185.13242	4.6
187.14822	8.8
189.16400	22.5
191.17967	18.0
199.14836	4.1
201.16374	17.8
203.17972	22.5
205.19484	7.1
211.14871	1.5
212.84256	1.2
213.16440	4.9
215.17984	10.3
217.19522	27.2
219.21126	1.8
225.16377	1.6
227.17992	6.0
229.19516	10.5
231.21069	4.2
241.19536	5.3
243.20993	6.1
245.22751	3.1
255.21127	12.4
257.22675	10.8
261.02185	1.2
269.22656	12.7
271.24261	3.9
283.24301	4.3
297.25769	3.1
298.04791	1.9
309.25470	1.6
311.27393	1.4
312.06036	1.2
313.07031	3.6
351.30457	1.3
365.32239	1.6
392.05206	1.8
407.11478	2.6
407.25742	13.2
407.36749	100.0
408.37085	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03932	1.2
55.05518	12.8
57.07087	6.8
64.71030	1.0
65.03959	1.5
67.05512	21.6
69.07075	42.5
69.77643	4.2
70.06611	1.2
71.08636	2.8
79.05495	11.9
80.41370	0.9
81.07065	83.6
83.08626	16.3
84.80594	0.9
89.06061	2.4
91.05485	9.9
93.07053	31.3
95.08615	60.4
96.19710	0.9
96.63429	1.2
97.10172	7.1
98.21494	2.0
105.07042	23.5
105.07700	2.0
107.08601	36.0
107.09312	2.0
109.10169	47.5
111.11768	4.5
117.07059	2.5
119.08598	28.9
121.10165	31.9
121.11050	1.8
123.11722	24.2
129.07016	2.2
131.08559	12.1
133.10149	22.9
133.11110	1.9
135.11713	24.8
137.06009	2.3
137.13281	11.9
141.10234	1.3
142.07790	2.4
143.08586	6.8
144.09386	1.5
145.10127	22.4
147.11700	21.3
149.13271	17.6
151.14853	3.4
155.08612	1.3
156.09348	1.3
157.10136	11.6
158.10959	1.6
159.11710	26.1
161.13281	15.3
163.14822	8.2
169.10185	3.2
171.11714	10.3
172.12416	1.4
173.13283	17.2
174.13823	1.3
175.14827	11.5
175.16135	1.2
177.16388	8.4
183.11760	3.1
185.13280	9.4
187.14819	13.9
189.16429	11.2
191.17998	4.6
195.12158	1.0
197.13312	2.7
199.14824	6.1
201.16388	11.8
203.17966	7.6
205.19495	1.5
211.14891	3.9
213.16428	11.5
215.17938	11.0
217.19617	2.7
225.16470	1.6
227.18021	8.9
228.18652	1.5
229.19572	11.0
231.21199	3.0
239.18071	1.3
240.96515	1.1
241.19691	5.0
243.21184	4.2
253.19684	1.8
254.20229	1.2
255.21155	5.1
257.22681	5.2
259.24307	1.0
267.21225	1.9
269.22665	8.6
271.24268	3.6
272.45779	1.1
281.22711	3.1
283.24170	6.8
295.24274	2.7
297.25845	4.9
309.25891	2.3
311.27414	3.1
323.27307	1.6
325.28967	5.1
337.28970	3.4
339.30591	1.1
351.30286	4.6
363.16174	1.4
365.32150	3.5
377.17462	1.5
389.34158	3.2
407.22409	11.5
407.36780	100.0
408.37146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.17163	1.3
55.05303	1.4
55.05519	12.6
57.07080	7.5
67.05508	19.1
69.07077	38.2
69.39878	2.6
69.40293	7.5
71.08643	3.3
79.05505	12.9
81.07065	67.4
83.08620	13.5
91.05483	8.9
93.07047	22.9
95.08613	55.9
97.10183	6.9
105.07037	24.0
107.08595	31.4
109.10165	42.7
111.11736	3.6
117.07034	2.6
119.08591	25.1
121.09328	2.4
121.10153	31.8
123.11719	19.3
124.77519	1.1
131.08556	9.2
133.10127	18.1
135.11707	18.5
137.13254	9.7
140.12419	1.2
142.07748	2.3
143.08586	4.8
144.09360	1.4
145.10139	15.9
147.11694	23.4
149.13260	12.4
151.14796	3.3
157.10150	7.6
158.10832	1.8
159.11708	20.9
160.12488	1.5
161.13266	15.2
161.14471	1.8
163.14854	7.3
169.10065	2.1
171.11682	9.2
173.13284	15.1
175.14833	11.9
177.16409	8.1
183.11720	1.9
185.13266	7.4
186.99026	1.2
187.14806	10.9
189.16370	9.5
191.17969	6.3
199.14828	7.1
201.16457	10.0
203.17966	8.3
211.14836	2.8
213.16441	9.4
215.17969	10.8
217.19592	5.2
225.16467	1.7
227.17986	7.7
229.19550	7.8
231.21178	2.2
239.17902	2.4
241.19626	3.8
243.21185	3.7
245.22604	2.1
253.19543	2.1
255.21107	5.4
257.22632	5.7
267.21021	1.6
269.22580	5.7
271.24252	3.4
281.22812	1.8
283.24213	7.1
285.25784	2.0
295.24149	2.8
297.25815	5.7
299.27405	2.1
309.25647	1.9
311.27435	3.0
313.28955	2.0
323.27368	3.3
324.96146	1.2
325.28903	4.8
327.19724	1.3
337.28909	3.4
351.30374	3.8
365.32291	2.2
407.36765	100.0
408.37085	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1891
Annotation	Pro Gln Tyr
Peak:m/z	Relative Intensity
55.05508	1.2
56.05042	0.6
57.03437	0.6
58.99558	0.5
60.08365	0.4
63.66869	0.5
67.01846	0.4
67.05515	0.9
69.03424	1.2
69.07063	1.3
70.06589	1.5
71.04987	0.7
71.50983	0.6
72.08153	0.5
73.02937	0.5
74.61018	0.4
76.02230	1.1
79.05515	1.0
81.03438	1.1
81.07061	1.9
82.07378	0.7
83.05002	1.1
83.08602	0.6
84.04498	1.7
84.08164	1.0
85.02900	2.4
85.04812	0.5
86.09688	0.5
86.99045	0.9
87.04506	0.5
89.03941	1.0
91.05483	1.4
93.07047	1.5
95.04981	1.6
95.08610	0.8
97.02913	1.3
97.06514	0.9
98.09677	0.7
98.97588	1.5
99.04466	0.8
102.61755	0.5
105.07047	2.1
107.08590	0.8
109.10175	0.6
116.01700	1.6
119.04955	0.9
119.08578	0.5
121.02757	0.4
121.10181	1.1
123.04420	0.7
127.03958	0.9
129.82237	0.5
131.08575	1.2
133.10156	1.2
136.07591	0.8
136.96800	0.4
137.05977	5.2
145.02861	1.7
145.10046	0.6
147.04436	0.6
148.99805	0.5
149.06027	0.6
151.07567	0.9
151.11159	0.8
153.09116	1.0
156.08443	1.0
156.10236	0.5
157.08762	1.1
158.99608	0.6
161.06049	0.6
161.13367	0.6
162.02194	0.6
167.07033	1.0
167.10693	0.5
173.13275	0.7
174.09515	0.8
175.09892	0.8
175.15047	0.5
177.05518	2.8
179.14337	0.8
181.08597	0.9
185.11765	0.7
191.14330	1.2
197.15469	0.7
203.07565	1.2
203.57806	0.7
208.09610	0.6
209.15338	2.4
210.12137	0.8
210.15808	0.8
219.01801	0.6
227.16492	1.8
243.08868	0.7
245.13634	9.9
245.17580	1.0
259.11066	3.4
260.11453	6.4
265.11261	0.6
293.09174	0.8
308.95340	0.5
318.05252	0.6
350.70911	0.6
375.11838	0.6
407.18927	100.0
408.19269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01876	8.1
55.05510	8.4
57.03427	8.5
65.45439	6.3
67.05492	14.7
67.56490	6.3
69.03430	46.3
70.06578	26.8
71.05022	9.5
71.50742	9.6
72.08144	8.9
79.05482	17.7
81.03410	14.6
81.07058	28.3
83.05001	31.7
83.08615	7.4
84.04492	8.0
84.08141	16.8
85.02924	59.0
86.09703	22.6
90.22383	6.4
91.05464	16.6
93.07047	41.8
95.04961	13.0
95.08614	25.8
97.02910	16.2
99.67239	7.6
100.02238	6.8
103.03989	6.2
103.05389	6.6
105.07076	13.3
106.62743	7.9
107.08600	26.8
108.08079	6.3
109.02856	10.2
109.06493	13.0
109.10149	25.9
111.08084	12.7
119.04921	7.6
119.08576	18.5
121.10147	59.7
123.08084	9.0
123.69567	6.5
125.09647	13.3
127.03914	39.0
131.08556	8.6
133.10150	14.4
137.05989	14.4
137.09593	16.4
139.11192	9.2
142.06474	7.6
147.11630	7.5
149.09668	19.4
151.03929	8.4
167.07037	19.1
167.10664	100.0
173.13194	8.1
179.07019	11.3
179.14317	28.3
183.13802	37.4
191.14326	8.9
197.15411	20.6
209.15378	40.8
227.16425	72.2
263.07797	7.4
297.51920	7.3
320.32965	7.2
333.03915	11.0
396.99911	8.5
407.03525	11.4
407.14496	22.4
407.18970	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	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	19.9
57.07084	32.8
60.71841	2.4
67.05515	24.3
69.07079	55.9
70.76351	4.0
71.01826	2.2
71.08642	20.4
72.27387	2.3
75.04164	2.1
79.05482	12.5
81.07068	50.1
83.01353	4.0
83.08635	29.7
85.10190	11.6
86.85818	2.5
89.06047	4.0
91.05492	8.3
93.07053	25.1
95.08620	65.7
95.20637	2.4
97.06538	2.5
97.10176	18.0
99.04491	6.2
105.07033	19.0
107.08611	39.0
109.06553	10.6
109.10168	47.9
111.04464	7.4
111.08094	3.5
111.11742	10.9
113.06062	2.5
117.07076	2.6
119.08603	23.1
120.05627	2.6
121.06569	3.3
121.10170	28.0
123.08087	8.6
123.11739	21.3
125.06003	32.0
125.13291	3.6
131.08607	5.9
133.10143	18.3
135.08170	4.5
135.11694	15.3
137.05971	33.1
137.09669	3.8
137.13280	12.2
139.07608	10.1
143.08598	3.6
145.10147	12.2
147.11674	20.1
149.09796	2.9
149.13283	16.3
151.07591	7.1
151.11163	3.6
151.14874	3.9
153.09163	3.9
157.10258	3.4
159.11755	9.4
159.40115	2.4
160.01779	2.0
160.18715	2.1
161.13268	14.1
163.11212	6.0
163.14880	7.5
164.90660	2.2
165.07967	2.2
165.09099	10.9
165.12843	2.5
167.10724	4.3
173.13293	8.2
175.14915	10.8
177.12701	2.4
177.16466	9.0
179.10677	12.8
179.14445	2.9
179.17937	2.4
181.12299	6.4
186.87431	2.3
187.14882	8.8
189.16397	18.1
191.18008	12.4
193.12233	13.4
193.16005	2.7
195.13820	3.4
197.11830	6.4
201.16475	10.6
203.17975	14.5
205.15926	2.6
205.19626	7.1
207.13934	9.0
209.15375	3.5
211.13371	3.4
215.18028	9.6
217.19608	9.2
221.15443	6.1
227.18109	3.4
229.19562	5.0
231.21202	3.1
235.17101	8.2
237.18475	2.9
241.19518	3.5
243.21283	6.8
245.22754	4.7
249.18521	11.6
251.20103	4.5
253.18022	3.0
255.21010	4.9
257.22839	3.7
263.20215	10.7
267.19647	3.3
269.22763	4.7
277.21796	8.2
281.21176	4.4
291.23318	7.3
295.22742	3.7
297.26059	3.8
305.24973	7.8
319.26593	6.8
333.28073	3.8
345.47607	2.5
365.32050	2.8
371.33246	5.2
389.34213	36.3
390.34982	2.7
397.11243	2.4
407.36682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1316
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
55.05501	1.4
57.07054	0.9
67.05488	2.0
69.03417	1.1
69.07059	2.2
70.16674	2.1
79.05493	1.7
81.07056	5.2
85.02911	0.8
88.41194	0.5
91.05464	1.3
93.07024	2.4
95.08611	6.3
97.06509	2.7
98.06870	0.5
105.07044	3.4
107.08607	3.0
109.10166	3.2
119.04848	0.7
119.08571	3.5
121.10120	2.7
123.08140	0.7
123.11697	2.2
124.12099	0.5
127.03881	0.7
131.08568	1.4
133.10147	3.5
135.11687	1.7
145.10133	1.6
147.11673	2.6
149.13263	1.1
159.08080	0.7
159.11719	1.8
161.13327	0.9
163.03955	1.4
163.14742	0.7
164.04205	0.7
169.64952	0.5
171.00575	4.0
171.11659	0.6
173.13295	0.8
175.14781	0.8
177.16312	0.8
185.04262	3.9
187.14763	1.3
189.01585	0.9
189.16386	1.0
191.17860	0.6
197.59314	0.6
201.16397	1.1
203.17990	1.5
205.19476	0.7
217.19585	2.3
229.19565	0.9
243.96968	0.6
245.07878	100.0
246.08224	0.9
259.09698	1.3
260.09955	2.7
269.22754	0.7
286.10483	1.9
407.13144	57.8
407.36774	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	407.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05510	1.8
67.05504	5.0
67.38938	1.2
67.63168	1.3
69.03440	3.1
69.07074	5.4
70.06586	2.0
70.64196	3.5
79.05500	4.4
81.03435	2.2
81.07066	8.6
85.02901	1.4
85.06550	1.7
89.06018	1.4
91.05507	4.2
93.07048	7.7
95.04987	2.9
95.08624	12.6
96.04490	2.1
97.06528	7.2
98.06866	1.5
105.07040	7.6
107.08621	9.0
109.10177	9.6
111.04477	2.2
113.06055	1.4
113.31221	1.4
119.08603	7.8
121.06537	1.5
121.10167	5.6
123.08062	1.6
123.11729	5.0
131.08606	3.5
133.10162	7.4
135.11694	5.7
137.05978	1.5
137.13249	2.2
143.08667	2.0
145.10170	4.0
147.11710	4.9
149.05917	2.0
149.13289	2.6
151.07660	1.4
157.10275	1.7
159.11742	4.7
161.07213	1.8
161.13254	3.9
163.03995	2.9
163.14864	1.8
164.04245	1.8
167.07141	1.9
173.13290	3.2
175.14827	1.6
177.05531	3.7
177.16417	2.6
187.14815	2.0
189.16475	2.7
191.17987	3.8
195.09229	1.7
197.13440	2.1
201.16406	1.9
203.18031	2.9
207.07741	1.9
211.08714	3.0
213.10329	1.7
215.14465	1.8
216.07433	2.0
217.19571	4.1
222.07848	1.6
223.08714	13.5
224.09526	4.1
225.10284	8.0
226.10770	1.7
231.21162	2.0
237.10329	15.0
238.07365	2.7
238.11098	2.7
239.08273	4.2
239.11804	14.2
241.09784	5.3
243.11458	1.7
249.10428	2.3
251.08197	46.1
251.51474	1.8
252.08965	4.5
253.09846	7.6
254.10564	3.3
255.11206	4.2
257.09235	2.2
257.12854	5.5
257.34851	1.5
259.09778	3.0
260.10150	6.4
265.09744	22.6
266.10577	2.9
267.11447	12.6
269.09232	23.6
269.12399	2.2
269.22665	1.7
271.10794	11.5
279.04849	2.7
279.07678	31.3
283.10748	10.0
284.11713	2.3
285.12317	12.4
287.05612	2.8
293.09238	41.8
295.10812	3.9
297.08749	59.5
298.09320	2.5
299.13910	2.4
301.11810	2.1
303.13388	2.0
311.10324	22.9
313.11844	12.0
315.09830	4.5
317.14844	3.9
321.08823	12.4
325.11780	7.4
329.07315	2.0
329.11359	38.5
330.12082	2.1
331.12939	11.6
339.09796	31.6
343.12918	7.7
345.14435	10.7
347.12518	4.1
357.10907	14.6
361.13965	16.1
363.15591	37.4
371.12378	13.5
375.11960	15.2
389.13483	51.7
407.14563	100.0
407.36783	11.0
408.15106	2.1
428.65796	1.5
430.55731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05509	15.1
57.07072	11.5
65.31080	2.8
67.05508	25.5
69.07076	40.0
70.82709	5.6
71.08640	7.3
79.05512	16.1
80.33414	2.9
81.07062	69.0
83.08627	20.8
89.06031	4.7
91.05470	13.4
91.44817	2.4
92.82077	2.4
93.07050	32.5
95.08613	65.8
95.09178	5.1
97.10175	6.8
105.07043	28.0
107.08607	43.5
109.10165	55.0
111.11729	7.7
117.07050	4.1
119.07799	4.4
119.08591	36.4
121.10149	31.7
123.11742	19.0
125.05998	4.3
131.08588	11.8
133.08551	3.8
133.10132	33.2
135.11707	16.9
137.09674	3.1
137.13297	14.5
143.08585	7.8
144.09326	3.3
145.10152	22.7
147.11668	22.9
149.13272	16.1
151.14845	3.8
154.11671	2.4
157.10133	11.7
159.11679	20.5
161.13292	19.6
163.14880	11.5
169.10156	3.8
171.11711	7.4
173.13283	11.6
175.14853	12.7
177.16405	7.5
179.10757	7.0
185.13310	10.0
187.14891	12.2
189.16415	12.3
191.17999	3.7
199.14900	7.6
201.16418	14.6
203.17989	10.6
211.14897	5.3
213.16461	8.9
215.17995	8.4
217.19476	7.0
227.18037	4.8
229.19621	5.4
241.19513	4.4
243.21117	5.5
253.19519	3.5
255.21126	5.5
257.22662	7.1
260.13666	2.6
269.22678	8.0
283.24176	6.0
285.26077	3.3
297.25681	5.9
311.27530	4.9
323.27188	3.6
325.28964	5.5
337.29150	4.4
351.30423	4.1
379.55832	2.9
389.34137	7.0
407.36792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.2
57.07087	21.0
58.31560	2.2
66.83047	2.1
67.05520	15.3
69.07076	30.6
69.86050	12.5
71.05004	3.3
71.08634	13.4
79.05507	5.1
81.07061	29.6
83.04991	3.1
83.08624	18.5
85.10209	4.9
89.06061	3.3
91.05499	4.7
93.07057	10.2
95.08615	25.1
97.10191	12.4
98.21492	4.8
99.04467	90.3
105.07059	6.6
107.08604	11.3
109.06533	5.0
109.10176	11.4
111.11738	8.3
113.06046	3.2
119.08604	6.8
121.10129	7.3
123.08105	4.7
123.11731	6.8
125.06018	98.1
131.08578	3.0
133.08618	2.8
133.10141	10.7
135.11754	3.0
137.06018	8.1
137.13297	4.8
139.07578	3.1
141.05479	5.8
147.11748	6.1
149.09671	3.2
149.13263	3.8
151.07576	4.1
151.14842	3.4
153.09135	4.6
157.10194	4.6
161.09642	3.1
161.13350	4.5
163.11227	2.6
165.12772	2.6
173.13306	3.6
175.11209	9.2
175.14935	2.8
179.10770	4.3
185.13216	2.7
193.12268	11.1
195.12378	3.7
207.13869	4.9
280.47769	2.6
291.30585	2.8
355.81876	3.3
365.34143	4.2
371.33109	12.2
389.34189	100.0
390.34454	2.9
407.35403	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3524
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05502	4.1
57.07085	9.2
60.15922	1.1
61.61233	1.2
65.03949	3.0
67.05178	1.8
67.05512	22.6
69.07068	9.3
70.91173	2.8
71.04983	3.5
71.08627	6.4
71.68208	1.2
76.38844	1.2
81.07072	6.0
83.08619	5.4
85.10175	5.4
93.07037	3.1
94.01620	1.2
95.04978	14.6
95.08617	7.8
97.10159	3.4
99.04492	7.6
105.03377	1.3
105.07029	2.7
107.08605	3.4
109.10183	3.4
111.11721	3.1
113.05990	3.9
119.08574	3.9
121.10155	3.8
123.04459	16.7
123.11705	2.4
125.06004	8.4
125.13278	1.6
133.10129	2.0
135.11732	2.2
139.07555	5.2
141.05481	100.0
147.11665	2.8
151.11211	1.7
164.07016	1.7
165.09085	1.6
175.14786	1.4
189.16362	2.0
203.17992	1.7
347.33072	2.8
365.34180	2.0
378.65393	1.5
389.34283	8.9
407.35254	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.05515	22.5
57.07079	19.9
57.26540	1.5
67.05506	15.6
69.07072	39.5
70.06570	1.7
71.04359	2.1
71.04991	1.8
71.08643	13.3
79.05491	10.2
81.07058	41.5
83.04967	2.1
83.08153	2.6
83.08624	25.2
84.20489	1.7
85.10180	7.4
89.06036	4.9
91.05489	7.5
93.07043	12.9
95.04992	3.1
95.08614	40.7
97.10165	12.8
98.20702	2.7
99.04459	78.6
105.07037	14.0
107.08616	14.5
109.06512	6.3
109.10161	26.6
111.11730	7.1
113.05992	3.1
119.08596	17.0
121.06516	2.6
121.10172	15.7
123.08076	3.2
123.11700	13.3
125.05999	98.2
125.13235	1.9
129.37791	1.7
131.08571	4.0
133.10124	13.8
135.08105	2.4
135.11684	10.9
137.05969	6.5
137.09604	1.9
137.13269	7.3
139.07503	2.8
142.07816	1.9
143.08575	3.5
145.10165	9.8
147.11691	11.8
149.13266	5.6
151.11133	2.2
153.09125	2.9
157.10156	3.3
159.11734	7.7
161.09712	3.2
161.13277	7.8
163.11218	4.3
163.14896	4.7
165.09119	3.5
165.12778	4.1
165.16388	2.2
169.02667	1.7
171.11703	5.2
173.13290	6.5
175.11221	7.4
175.14853	5.6
176.42558	1.8
177.12727	1.8
179.10703	3.8
179.14346	1.7
185.13222	4.0
187.14792	3.3
189.16389	5.6
193.12271	4.4
199.14848	3.6
201.16336	3.3
203.17908	4.2
213.16328	2.8
215.17979	4.1
217.19463	2.2
227.18115	2.8
229.19609	4.3
245.22728	2.3
249.18608	2.3
255.21054	2.3
257.22650	2.8
266.60480	1.7
269.22681	2.9
281.23352	1.9
311.27499	2.2
347.33127	1.9
361.34985	2.6
362.15167	2.6
363.16495	3.9
365.34183	4.0
371.33066	9.1
377.17621	9.6
378.18369	4.9
389.34140	100.0
391.19034	3.5
392.19888	7.1
394.05075	2.5
395.56995	1.8
407.22327	57.5
407.35965	47.7
422.14465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26682	3.6
54.48225	4.1
57.03436	7.7
57.07083	100.0
59.05009	43.7
69.07061	5.9
71.08238	5.7
71.08638	97.4
71.52734	6.6
80.17530	4.3
83.08627	7.8
85.10192	89.2
93.07087	6.2
95.05003	4.1
95.08586	8.6
97.06571	4.7
99.11721	13.3
113.00034	12.8
115.07568	33.0
117.09148	14.3
139.02315	3.9
141.16432	8.3
169.02657	20.3
199.20650	19.7
257.24802	15.7
269.72299	4.2
406.21085	12.1
406.35980	8.2
430.76968	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10396	2.6
51.54621	2.2
57.74957	2.3
67.05507	3.7
69.07054	4.1
69.88712	11.8
79.05489	4.8
81.07052	11.4
83.04976	2.9
83.08614	5.5
85.02890	14.9
85.06555	4.8
88.03472	2.4
91.05494	7.6
93.07039	7.2
95.04972	19.4
95.08605	8.4
97.02897	3.4
97.06552	16.1
98.20808	3.4
99.04449	5.7
99.08084	4.0
105.07032	19.7
107.08616	16.7
109.06535	33.2
109.10170	10.5
115.07553	7.8
119.08566	10.9
121.10157	21.7
123.08073	3.5
123.11672	4.5
127.03959	4.3
131.08575	11.5
133.10144	65.1
135.08093	6.8
135.11679	4.9
139.11197	3.1
145.04977	3.2
145.10124	6.6
147.11703	26.6
149.13373	6.8
151.11134	2.9
153.09108	14.1
163.14822	4.7
165.12837	2.8
167.14406	2.8
171.10153	3.2
173.13258	38.4
191.14323	46.5
204.77293	2.6
209.15382	82.8
227.16440	100.0
227.18372	3.6
317.04733	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	406.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
57.07086	0.7
58.06599	1.0
65.03955	0.8
67.04251	5.3
67.05503	6.2
69.03433	3.7
69.07056	1.1
71.04981	1.1
71.08632	0.6
71.52478	0.8
79.05491	5.6
80.05020	1.8
81.07070	5.0
82.06584	100.0
83.08619	0.9
88.03484	0.9
88.03988	7.1
91.05500	1.9
93.07042	5.4
95.08619	3.3
100.07620	22.6
105.07028	1.0
107.08631	1.9
109.10148	0.7
118.08681	1.9
119.08564	1.0
121.10143	1.3
122.16654	0.5
126.05505	1.1
128.07085	41.6
131.08592	0.6
133.10152	0.7
135.11659	1.1
137.97658	0.5
145.10197	0.9
146.08127	18.9
149.06036	1.0
216.44165	0.5
406.29529	73.2
406.38129	1.8
407.30011	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18921	0.7
55.05499	1.9
57.03437	2.7
57.07079	100.0
58.07414	1.0
59.05005	53.2
59.96593	0.8
67.05510	1.6
69.07072	2.4
71.08636	72.4
81.07069	1.9
83.08631	3.3
85.10187	61.9
86.82850	0.7
93.07049	2.1
95.08631	2.1
95.19747	0.8
97.10168	2.8
99.08101	1.7
99.11746	11.5
101.09698	1.3
105.07053	1.2
107.08591	1.5
109.10169	1.0
113.13272	3.9
117.09145	15.7
119.08574	0.9
123.11691	0.8
133.10199	1.1
139.03931	1.2
144.63887	0.7
145.10214	0.9
155.17966	4.8
175.13319	1.6
213.22260	4.7
267.05536	0.9
271.26324	2.9
300.96896	0.8
301.57996	0.8
405.34854	5.9
412.82739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.373
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01885	1.6
55.05517	2.9
57.07079	8.4
58.36701	1.0
67.05509	9.8
69.07072	1.2
70.91219	2.7
71.08641	5.5
76.22158	0.9
79.05502	2.3
81.07065	3.3
83.08627	1.7
85.10192	3.6
91.05495	6.2
93.07051	39.7
95.04959	1.5
95.08616	24.5
97.06551	1.6
105.04527	1.0
105.07027	1.7
107.08607	6.8
109.10177	2.2
111.08092	19.5
121.06506	2.4
121.10136	1.7
125.09678	2.5
127.07555	2.5
139.07550	19.9
144.21782	1.0
153.09082	9.8
157.08694	1.7
159.11572	1.3
164.74431	0.9
167.10707	7.2
181.12251	6.0
195.13881	3.3
209.15451	3.5
223.16910	1.5
275.57901	1.1
405.37347	100.0
406.37433	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62146	1.1
55.01861	1.5
55.05515	1.4
57.03432	1.0
57.07077	2.7
61.02922	1.1
62.69127	0.9
67.05503	7.9
69.03441	3.3
69.07075	2.8
70.86334	2.5
70.86669	1.1
71.05001	8.2
75.34011	1.1
79.05505	8.9
81.03424	1.4
81.07064	2.2
83.04976	2.6
85.02897	12.5
85.06551	55.6
91.05499	6.1
93.07051	6.5
95.04968	2.5
97.02900	2.6
97.06530	1.4
99.08083	2.9
105.07042	6.4
107.04926	2.7
107.08601	9.4
109.02901	1.8
109.06538	1.4
111.04443	6.0
117.07016	2.3
119.08599	7.5
121.06500	6.4
121.10163	10.2
123.08108	1.6
125.06008	2.4
127.04005	2.4
129.06990	2.8
131.08582	35.0
135.11743	1.8
137.09625	3.0
145.05002	1.9
145.10141	15.0
147.08046	3.4
147.11690	1.2
149.09633	32.6
149.10764	2.3
153.05438	1.5
163.11218	12.1
163.34253	1.2
165.09096	6.3
167.10699	17.1
173.09639	2.5
191.08945	2.1
191.10687	42.6
209.11748	56.6
227.12804	100.0
265.66592	1.0
329.16821	1.0
339.53586	1.3
399.40359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3516
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
55.05511	19.8
57.07060	8.4
62.76298	2.3
67.05501	16.0
68.03488	2.0
69.07077	23.9
69.32933	14.3
71.08617	3.3
79.05505	10.9
81.07063	68.6
83.08604	12.3
85.10191	3.2
91.05466	6.1
93.07063	13.0
95.04967	2.1
95.08616	26.9
97.10191	14.3
105.07049	14.3
107.08607	18.0
109.10168	21.8
111.11697	3.9
117.06961	3.7
119.08601	13.3
121.10129	10.0
123.11731	13.0
125.06058	2.6
125.13271	2.9
129.07021	6.2
131.08568	8.8
133.10126	9.9
135.11714	7.5
137.13342	4.5
139.03929	3.0
139.07555	2.7
141.05356	2.6
142.07756	4.1
143.08548	10.0
145.10127	13.0
147.11694	7.1
149.13264	4.5
155.08551	11.3
156.09398	4.6
157.04979	2.8
157.10144	24.4
159.11644	9.8
161.13228	3.3
163.14832	3.6
168.09386	2.7
169.10156	7.9
171.11708	10.0
173.13281	6.5
181.10158	3.5
182.10916	4.3
183.11679	12.5
185.13245	5.2
187.14865	5.9
189.16396	3.1
191.17978	3.2
197.13313	12.9
199.14828	8.6
201.16405	3.3
209.13197	3.4
211.14842	12.6
213.16341	6.5
223.14847	4.0
225.16380	8.2
227.17914	6.9
237.16368	6.3
237.88867	2.1
239.17976	3.0
251.17989	5.1
253.19560	6.7
267.21152	3.2
279.21146	4.9
281.22614	3.3
293.22592	6.2
307.24149	16.9
387.32645	5.0
399.07474	2.6
405.20712	9.1
405.35184	100.0
406.35782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52541	4.4
51.93620	4.6
55.05501	19.5
56.96561	11.8
57.03428	13.9
67.05508	52.0
69.07055	19.9
70.04192	4.5
71.08618	7.2
71.52326	8.7
79.05495	34.9
81.03416	10.5
81.07058	54.9
83.04964	6.1
83.08630	15.4
91.05495	25.3
91.43885	4.8
93.07043	42.0
95.04966	12.7
95.08588	16.8
97.06526	13.5
98.97594	78.5
99.08107	8.5
105.06982	15.8
107.08615	30.3
109.10148	26.3
111.98602	5.5
116.98622	40.8
117.07021	5.4
119.05056	4.7
119.08566	18.6
121.10126	13.7
131.08588	6.4
133.10109	9.1
134.99649	6.9
137.05981	35.0
147.11765	6.0
149.13255	15.5
151.11174	5.0
156.04478	7.0
159.11719	24.6
161.13220	5.9
172.03957	7.3
173.11736	6.8
177.12758	21.0
179.14255	8.3
195.13867	13.5
201.04333	6.1
201.19873	5.4
216.06509	5.2
226.11171	14.8
227.12805	8.8
229.14386	28.8
232.68028	4.8
235.02727	55.9
253.03835	55.3
269.17480	100.0
276.05557	14.0
277.21600	9.7
329.07935	19.1
344.10178	14.3
344.14841	6.8
351.25363	25.0
372.09894	61.4
392.70718	5.4
404.17484	74.1
405.22470	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	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01850	4.9
55.05513	37.2
55.75601	5.2
56.96564	6.1
57.03438	30.1
67.05194	5.3
67.05512	80.2
69.07075	25.0
70.10286	19.7
71.08646	36.8
73.73565	4.3
79.05498	50.6
81.07069	84.5
83.04977	17.5
83.08624	37.8
85.06542	6.8
91.05501	38.6
93.07052	70.4
94.56461	5.0
95.04995	11.4
95.08620	33.2
97.06519	16.4
97.10200	23.4
99.08122	32.2
105.07044	22.8
107.08606	46.7
109.10168	27.7
117.07034	13.3
119.08584	19.1
121.10153	20.4
125.09660	14.9
131.08582	16.3
133.10136	18.3
135.11725	15.0
142.88884	5.1
145.10149	9.8
146.94920	4.5
147.11719	8.2
149.13275	15.9
151.11198	25.5
156.28716	5.1
159.11708	26.3
161.13263	19.7
163.11200	9.0
167.07100	10.9
173.11720	14.1
175.14810	4.7
177.12784	24.2
179.14365	13.2
189.11082	11.7
195.13782	11.9
227.12796	17.8
229.14427	30.0
241.19537	8.8
241.87674	4.7
245.13905	7.3
259.20636	13.0
269.17487	100.0
277.21667	32.0
351.25406	49.6
383.68613	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01885	5.2
55.05515	21.3
57.03444	20.3
57.07071	6.3
65.03958	2.6
67.05513	73.6
69.03415	2.9
69.07074	22.4
70.16442	5.8
70.16831	5.7
71.04985	4.7
71.08638	18.2
79.05063	4.1
79.05495	41.2
81.03429	3.4
81.07064	78.1
83.04986	12.8
83.08633	19.6
85.06523	3.5
86.62570	2.8
90.02290	2.6
91.05494	30.7
91.51208	2.4
93.07053	56.0
95.04979	17.1
95.08607	27.1
97.06532	16.6
97.10170	11.1
99.08113	22.5
103.03902	2.8
105.07043	17.2
107.04938	3.1
107.08604	32.7
109.06492	5.1
109.10175	28.9
111.08090	8.5
113.15293	2.5
117.07032	7.2
119.08598	15.8
121.10152	18.8
123.11728	4.2
125.09639	5.5
131.08566	11.0
133.10149	14.6
135.11682	10.9
137.09583	3.3
140.14130	2.6
143.08609	2.4
145.10123	8.8
147.11720	8.3
149.13303	23.8
151.11218	17.6
159.11708	24.2
161.13252	11.9
163.11197	6.1
165.12836	3.7
173.11783	12.5
173.13075	2.9
175.14780	3.7
177.12827	16.5
179.14334	10.6
195.13783	9.7
215.17924	2.4
227.12810	14.7
229.14351	31.9
231.20903	2.6
241.19643	5.8
245.13942	3.1
259.20511	11.6
269.17508	100.0
277.21689	23.7
351.21176	4.2
351.25290	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12320	1.0
51.62032	0.9
55.05497	1.6
57.03427	2.0
67.05520	1.3
69.03436	2.9
69.29514	3.8
69.29940	4.4
70.06597	2.6
71.04990	3.3
72.08163	1.1
73.02914	1.7
79.05510	1.6
81.03428	2.0
81.07042	2.4
84.91754	0.9
85.02919	14.2
86.09718	3.4
87.00807	1.7
87.04460	1.1
91.05447	3.4
93.07056	3.1
95.04945	1.1
95.08612	1.3
97.02901	3.9
98.26652	1.0
99.04430	1.3
100.07606	1.7
105.01919	1.0
105.07023	5.2
107.08606	2.3
109.02908	1.6
117.07008	1.5
119.08604	10.0
121.06535	3.7
121.10181	2.0
123.08119	1.0
123.11771	5.7
124.07597	1.1
125.05977	1.2
127.03929	3.1
130.07758	1.5
131.08568	3.1
133.06532	5.6
133.10179	1.4
136.07571	1.3
137.06046	2.5
138.09151	1.1
143.08595	1.2
145.04961	1.7
145.10161	13.3
146.08145	2.4
147.08116	1.8
147.11716	16.8
149.02368	1.0
149.09651	6.3
152.13695	0.9
156.09366	4.1
159.08049	1.6
167.10709	3.9
170.49509	1.1
171.11678	3.7
174.10446	2.5
189.12775	100.0
190.13066	1.7
196.13356	1.5
197.11719	1.3
207.06531	1.7
207.13809	7.3
209.11621	1.3
225.14882	2.1
242.13907	3.2
242.17555	1.2
330.76288	1.2
361.03943	3.8
362.04349	1.2
405.17139	2.0
419.83560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
67.05510	1.7
69.03420	1.3
69.07085	0.8
69.22784	6.7
70.06580	2.3
71.05000	1.0
79.05504	1.4
81.03426	0.8
81.07038	1.8
83.04994	2.3
85.02914	4.9
90.30051	0.6
92.68346	0.7
93.07058	1.9
95.04958	1.0
95.08589	3.1
97.02899	1.5
97.06513	1.6
105.07066	1.3
107.08635	1.5
109.02862	0.8
109.06508	1.3
119.08613	1.2
121.10153	4.9
123.08080	100.0
124.04029	0.8
127.03931	0.8
130.97412	0.9
133.10114	1.5
135.11755	1.0
137.05965	1.2
145.10086	1.1
147.11713	1.2
149.09625	2.6
151.11183	5.4
161.13266	1.1
163.11230	1.0
167.10699	3.2
169.33298	0.8
177.73108	0.9
181.12259	6.6
189.12772	1.0
207.13814	4.8
225.14873	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36331	2.6
54.78809	3.4
55.05508	4.8
59.03689	2.9
60.13491	2.8
67.05501	10.9
69.03430	4.7
69.55634	19.6
70.06577	4.5
71.04988	14.6
79.05496	4.5
81.07057	10.2
82.28792	2.9
83.17185	2.8
85.02905	11.5
85.96412	2.8
91.05494	4.9
92.34364	2.9
93.07046	5.7
95.04939	3.7
95.08602	10.3
95.31467	2.8
97.02884	8.3
97.06546	5.0
99.04459	42.6
105.07030	9.0
107.08614	20.5
109.06529	12.9
109.10167	100.0
117.11157	2.7
119.08581	5.6
121.10146	11.5
123.08096	20.9
123.11713	9.8
125.09626	3.9
131.08575	4.7
133.10118	4.7
137.05945	3.9
145.10121	4.2
147.08064	5.2
147.11700	5.4
149.09656	11.3
151.07542	26.4
163.11226	6.4
165.12766	12.6
167.06964	7.0
167.10693	21.9
167.11900	3.8
171.11792	3.5
183.13905	17.1
189.12772	7.2
207.13820	87.4
212.28412	3.2
225.14851	47.1
353.41208	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
57.63000	1.0
69.03421	2.4
69.59188	6.8
70.06609	2.3
71.05002	2.3
72.08125	1.4
73.02909	2.1
75.58630	1.1
79.05492	1.7
81.03414	1.7
81.07076	1.7
84.04511	1.1
85.02911	13.1
86.09708	3.0
91.05477	3.3
93.07059	2.5
93.61084	1.1
95.04964	1.3
95.08604	1.2
97.02883	3.9
97.06528	1.4
98.20873	1.9
99.04462	1.5
100.07605	1.6
105.07037	6.3
107.08574	2.8
109.02921	1.3
109.06493	2.1
109.10157	1.5
117.06987	2.9
119.08578	9.5
121.06512	3.6
121.10129	2.2
123.11704	4.5
125.06012	1.9
127.03932	5.1
129.07008	1.1
130.07784	1.3
131.08574	2.6
133.06509	3.8
133.10170	2.6
138.09142	2.0
141.06920	1.4
145.04913	1.3
145.10158	12.3
146.08087	1.8
147.08081	1.9
147.11705	20.0
149.09653	6.2
156.09331	3.4
159.08109	1.4
166.08640	1.3
167.10680	5.0
169.54561	1.2
171.11745	3.3
189.12761	100.0
190.13048	1.2
197.11627	1.6
207.06581	1.8
207.13799	10.4
242.13887	2.8
242.17548	2.1
248.97496	1.1
361.04083	2.6
405.17160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18162	0.4
55.01872	0.7
55.05532	0.5
57.03438	1.1
68.68164	0.5
69.03429	0.7
69.07056	0.6
70.95028	1.0
72.08199	0.5
82.06591	15.4
85.02908	1.1
87.04459	3.3
91.05492	1.5
100.07634	25.4
105.95033	0.5
119.04971	2.7
121.47664	0.4
128.06245	1.5
128.07104	9.2
129.07018	0.7
131.23509	0.4
132.14224	0.4
133.06523	1.1
142.07816	1.1
143.04979	0.7
145.05006	0.6
145.06482	0.8
146.08144	100.0
147.04428	3.0
147.93086	0.5
148.05258	0.6
156.05685	0.5
157.06509	0.8
157.10065	0.9
160.05223	5.9
161.06001	5.4
162.06717	0.8
166.08672	0.5
167.08652	0.5
173.06006	4.5
174.06837	3.1
175.03909	6.1
175.07559	0.6
176.04712	0.6
184.05252	1.5
185.06065	1.2
185.09612	1.6
187.07552	0.9
188.04736	1.1
189.05460	1.8
189.09126	5.1
192.04295	1.2
195.08107	1.7
201.05605	0.7
201.09181	0.8
202.06250	2.3
203.10707	0.9
207.06564	11.9
212.04784	0.7
213.09187	1.9
225.07616	5.7
230.05762	11.2
231.10214	2.5
241.08734	0.6
259.09711	26.8
260.09995	0.5
280.87357	0.5
298.71912	0.6
404.16159	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18448	0.6
67.04250	0.9
69.03423	1.5
69.42122	0.5
69.53952	4.1
70.06569	1.1
72.08161	0.7
75.20647	0.7
82.06131	1.1
82.06586	14.9
83.39056	0.7
85.02907	2.6
86.06049	0.9
86.09697	1.2
91.05475	4.4
93.07030	0.7
93.67131	0.6
97.02876	1.0
99.04463	0.8
100.07623	40.5
109.02885	0.7
115.05370	0.9
116.07065	0.8
119.04203	0.8
119.04972	6.2
123.04435	0.9
127.03938	0.9
128.06265	1.5
128.07083	4.1
129.07022	1.5
135.53244	0.6
136.03954	0.7
145.04982	0.7
146.08131	100.0
147.04443	6.5
157.06499	0.7
158.00996	0.7
160.05235	4.0
161.05994	6.3
163.03848	0.8
164.06975	0.8
167.08525	0.7
173.06004	5.0
174.06779	2.4
175.03923	11.5
179.07030	0.6
184.05226	1.4
185.05885	1.5
185.09663	1.3
187.07561	1.0
189.05545	0.9
189.09106	4.4
192.04146	4.0
195.08080	1.7
201.05482	0.9
202.06300	1.7
203.10760	0.9
207.06549	28.3
212.04750	0.9
213.09030	1.9
225.07587	13.6
230.05754	7.7
231.10184	2.9
259.09695	19.3
404.13217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.5
55.05516	13.2
57.07067	2.0
59.05977	1.3
65.03929	1.5
67.05173	2.3
67.05509	22.7
69.07075	21.5
69.51376	8.8
71.05000	8.3
75.78132	1.2
79.05497	9.3
81.07063	35.9
83.04988	1.5
83.08624	7.6
85.06561	7.8
91.05486	5.7
93.07058	19.5
95.08614	100.0
97.06545	3.7
97.10167	5.2
98.20760	2.2
99.06930	1.2
101.06036	2.3
105.07027	6.6
107.08595	26.7
109.06526	1.7
109.10164	75.3
111.08096	31.1
111.08860	1.5
111.11739	13.2
119.08580	9.0
121.10160	25.0
123.08023	2.2
123.11707	25.0
125.09677	1.3
129.01852	1.7
129.09155	2.3
131.08604	1.8
133.10127	7.3
135.11684	20.1
137.09641	1.6
137.13266	8.2
139.00320	1.4
145.10161	3.1
147.11694	5.5
149.13264	21.9
151.07635	1.5
151.11229	1.7
151.14798	2.8
152.53459	1.2
153.12830	2.0
157.12218	2.0
159.11630	2.0
161.11246	1.4
161.13219	7.3
163.14832	18.5
165.12755	3.0
167.14386	4.8
175.14825	3.6
177.16406	9.2
179.14334	2.6
181.15900	10.3
185.15450	5.2
189.16383	2.2
191.18019	9.4
193.15804	7.6
199.16985	1.6
203.17979	5.3
205.19521	57.2
207.17424	2.6
207.21178	1.8
211.16963	1.9
217.19591	4.3
219.21063	6.3
221.19031	3.2
231.21158	2.3
247.20648	1.7
275.23782	4.7
287.27228	2.3
289.25400	2.3
307.26532	1.8
373.14545	3.0
380.79398	1.3
381.02707	1.4
385.34637	40.7
386.35175	1.6
387.16125	3.7
388.16443	3.4
402.18057	1.5
403.14713	2.0
403.19290	27.6
403.35776	59.8
404.19873	2.6
404.35974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57860	0.5
51.02366	0.6
53.03951	3.0
55.01895	0.5
55.05509	1.1
57.03440	0.7
67.39619	0.5
69.03433	9.0
69.39071	3.6
70.06577	0.6
71.04974	1.4
75.33518	0.5
78.03034	0.7
78.03459	11.4
79.04264	0.4
80.05017	1.7
81.03426	16.9
82.06577	0.7
83.05006	2.4
85.02911	7.3
96.04504	2.7
96.79968	0.6
97.02906	3.9
99.04463	2.5
100.07626	1.3
101.06026	4.4
106.02923	48.6
109.02891	9.9
124.03962	100.0
127.03935	7.0
145.04982	0.9
146.08110	4.0
161.05965	1.1
166.05034	1.5
196.06131	0.7
232.06100	3.1
250.07133	19.1
268.08176	58.2
286.09183	4.1
315.08740	0.6
368.13446	0.6
386.14404	0.7
404.15509	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01856	1.3
55.05512	1.6
57.03445	1.8
59.04988	1.4
61.02926	0.8
67.05500	1.1
69.03439	6.5
69.07060	0.7
70.06604	3.5
70.40285	2.1
71.01353	1.2
71.03736	0.6
71.05000	1.9
72.08151	0.6
73.02905	1.4
77.03931	0.8
79.05500	2.9
81.03442	3.6
81.07049	3.0
82.06591	0.7
83.01392	0.8
83.05003	1.2
84.08143	0.7
85.02911	17.6
85.06535	1.2
86.09702	1.7
87.00844	5.1
87.04462	2.1
91.05482	4.1
93.07043	1.8
95.04983	2.5
95.08614	1.7
97.02903	7.6
97.06524	0.9
99.00826	2.1
99.04460	2.5
100.07643	0.8
105.01927	5.7
105.03400	100.0
105.07047	7.9
106.03719	0.8
107.08614	3.1
109.02881	3.3
109.06529	2.8
109.10197	1.4
113.02362	0.8
117.07033	1.6
119.08590	10.8
121.06483	3.3
121.10149	2.5
123.04436	3.8
123.08087	2.2
123.11744	1.0
125.06009	3.3
127.03941	6.5
129.01788	0.8
131.08583	2.3
133.06490	1.1
133.10144	0.9
135.11655	0.8
137.05980	6.8
137.09627	1.9
141.01915	0.9
145.04964	3.7
145.06560	0.7
145.10135	3.5
146.08138	2.9
147.08076	1.2
147.11699	13.5
149.09613	3.1
151.07518	1.0
156.09367	1.0
159.02945	1.6
159.08051	1.0
161.09604	1.0
161.13263	1.3
163.07521	1.0
163.11232	1.4
165.12779	1.2
167.06990	0.9
171.11639	1.1
179.07054	28.4
179.10706	2.1
187.07550	1.6
189.04025	1.3
189.12761	17.2
197.08104	25.6
197.11760	5.0
207.06609	1.8
207.13818	18.1
225.15091	1.0
229.08571	2.3
231.05087	2.0
247.09818	0.9
277.07242	0.7
283.11823	0.8
351.10974	1.0
369.11664	2.2
404.13300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.0
55.05503	19.9
57.03437	11.6
61.46056	7.9
62.66395	6.4
64.74245	6.9
67.05502	45.1
69.07061	12.9
70.60849	20.0
79.05481	23.8
81.03410	7.4
81.06627	6.6
81.07055	39.8
83.08605	12.2
87.04455	10.2
91.05477	35.7
93.07055	30.9
95.04961	9.7
95.08598	25.8
97.10149	7.7
105.07043	40.1
107.04951	9.4
107.08589	32.5
109.10161	36.0
117.06973	9.3
119.08568	15.1
121.10138	13.6
123.08086	9.0
123.11716	9.8
125.09612	7.7
131.08627	10.9
133.10155	35.3
135.11650	11.3
137.09676	10.7
147.11642	7.4
151.11205	26.7
163.11086	8.3
195.13716	6.7
200.34547	8.0
232.24324	6.3
253.14340	27.7
275.20096	35.7
285.16983	9.0
293.20941	9.1
304.26141	9.0
346.64444	8.1
349.23746	15.4
367.24802	100.0
377.97211	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.9
55.05515	48.1
55.39235	3.7
57.03440	23.1
57.07068	5.0
59.05011	7.4
65.03918	4.7
67.05511	94.9
69.03426	9.8
69.07075	61.8
69.84771	20.4
71.04989	10.1
79.05503	82.3
81.03414	6.7
81.07063	100.0
81.33244	4.6
83.04987	19.3
83.08613	26.2
85.02881	4.4
85.06541	6.9
86.57877	4.7
91.05489	52.2
93.07055	79.3
95.04974	13.9
95.08619	52.6
97.06558	25.5
97.10178	24.0
99.08105	7.4
105.07048	48.9
105.25111	3.9
107.04976	13.0
107.08608	68.0
109.06508	13.0
109.09487	5.0
109.10135	25.9
111.08134	5.1
117.07040	21.2
119.08598	39.5
121.06562	6.7
121.10153	36.1
123.08071	6.6
123.11746	7.4
125.09647	20.0
129.07031	9.7
131.08568	36.5
133.10133	32.2
135.08072	10.1
135.11732	20.2
145.10132	27.1
147.11700	24.4
149.09633	18.3
149.13242	25.3
151.11229	6.1
155.08589	8.6
159.11725	30.1
161.13287	7.5
163.11180	14.2
171.11678	8.9
173.13216	5.8
177.12730	15.0
179.14285	8.6
181.12274	7.7
189.11319	7.9
195.13844	7.9
197.13246	5.3
227.12823	19.5
229.14418	11.1
229.19623	5.7
239.17914	10.5
245.13722	11.2
247.20644	7.9
255.15953	39.1
257.18988	16.8
269.17517	79.7
275.20093	60.5
286.20172	14.2
349.23755	58.9
367.24957	10.3
389.07309	4.9
402.16397	8.4
402.28436	7.1
417.68927	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24361	6.9
53.03930	9.4
55.01879	8.4
55.05505	23.8
57.03443	19.5
57.56910	7.4
67.05513	65.7
69.03429	15.8
69.07078	38.4
71.04983	11.7
71.51897	11.7
71.52288	12.8
73.56145	7.7
79.05500	64.5
81.03397	11.7
81.07069	100.0
83.04961	17.6
83.08611	16.8
83.19706	7.4
91.05486	46.7
92.39645	7.4
93.07052	69.8
95.04966	11.7
95.08630	36.8
97.06505	21.0
99.18614	7.0
105.07024	33.8
107.08622	41.5
109.06532	7.2
109.10172	23.0
117.07025	10.3
119.08581	28.6
121.10152	23.4
123.08102	7.4
131.08633	16.0
133.10118	28.7
135.08075	9.6
135.11703	34.8
145.10112	18.8
147.11703	15.1
149.09641	11.2
149.13232	13.7
159.11745	24.9
161.13258	8.3
163.11234	9.2
173.08183	10.1
177.12770	16.2
181.12213	9.4
189.11217	10.4
195.13739	9.3
229.14449	9.0
247.20604	9.0
255.15944	78.3
257.19058	8.8
269.17514	96.9
275.20084	30.4
308.91235	8.5
349.14780	7.8
349.23840	32.2
402.07370	8.7
402.32056	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36501	6.7
52.03171	7.0
55.01876	13.5
55.05526	34.5
57.03441	11.1
57.55452	6.5
59.22945	6.1
60.74432	7.5
67.05513	80.2
69.07068	22.8
71.03660	13.5
71.04994	13.0
79.05508	46.7
81.03451	14.8
81.07069	86.5
83.04987	15.1
83.08633	25.6
85.06566	14.1
91.05489	53.6
93.07061	47.4
95.04984	21.9
95.08638	49.9
97.06517	11.6
105.07053	61.3
107.04947	11.2
107.08592	46.0
109.06550	11.2
109.09458	9.4
109.10165	69.8
117.07027	13.3
119.08589	22.1
119.30331	6.8
121.06511	11.2
121.10129	8.7
123.08069	8.7
123.11700	10.0
125.09624	15.2
131.08588	18.8
133.10159	90.6
135.11760	11.0
137.09653	19.8
145.10098	9.3
149.09615	9.8
151.11211	32.1
158.04189	6.5
159.11717	9.0
163.11206	11.3
169.12256	6.5
191.14297	8.9
208.76820	6.8
235.15259	7.5
253.14400	83.5
271.01611	7.8
271.15414	27.7
275.20071	68.3
285.16980	21.3
293.21045	18.0
304.26251	31.9
349.23807	20.5
367.24731	100.0
385.26138	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	5.3
65.03935	0.5
69.03407	0.2
70.64093	0.5
81.03411	0.2
85.02907	0.8
97.02883	0.4
109.02842	0.2
121.02872	2.0
121.04036	0.3
127.03867	0.2
145.04877	0.2
149.02345	100.0
150.02713	0.8
162.07646	0.3
167.03410	6.7
167.07083	0.2
180.08672	0.4
190.04968	0.2
199.94379	0.2
205.08601	1.4
223.09654	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38658	1.6
55.01878	2.7
57.03200	1.4
57.03452	17.9
59.05009	4.4
59.48273	1.3
61.02932	5.5
69.03444	55.7
70.06589	2.0
71.01369	2.4
71.02000	2.8
71.05033	1.4
72.08192	2.3
73.02932	24.8
73.06570	100.0
73.99487	1.3
78.43753	1.3
80.28793	1.6
81.03441	4.0
84.04528	3.4
85.02921	65.2
86.09718	5.4
87.04483	27.5
91.04002	1.6
91.07622	20.1
92.87320	1.5
97.02911	61.1
97.03532	3.2
99.04459	2.8
103.04002	1.9
106.55555	1.6
107.04992	1.7
109.02884	4.6
110.06071	7.5
111.06400	4.5
115.03950	70.0
120.07626	1.4
123.04429	2.0
127.03954	13.2
133.04988	66.5
133.06529	3.0
133.08629	3.2
136.06175	3.3
144.06586	1.8
145.04984	21.0
147.04491	1.9
150.07645	4.1
154.08572	1.4
161.06007	2.4
163.06070	6.7
187.09688	4.3
205.05055	3.1
223.06017	5.1
223.11819	6.1
237.03181	1.5
240.10701	2.0
241.07118	4.4
253.12851	4.9
259.08255	10.0
277.09247	2.3
289.03134	1.5
295.10251	5.3
402.15646	9.9
402.20447	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.6
59.05006	100.0
61.02924	1.2
69.03428	3.4
69.63029	1.9
69.63435	3.1
70.06598	2.3
72.08166	1.2
81.03428	1.4
82.06586	0.8
85.02914	11.2
86.09724	2.0
87.04481	1.9
89.06043	16.8
91.05508	1.3
91.98542	0.7
95.04960	1.0
96.38377	0.9
97.02893	3.8
97.06556	1.0
99.08070	1.1
103.03963	3.7
103.07626	3.9
107.06397	1.7
107.07066	16.6
109.02870	1.1
116.07114	2.9
117.09146	19.2
119.04905	1.5
124.03982	5.7
124.07583	0.8
127.03928	2.5
136.07578	2.4
145.04951	2.1
147.04446	6.3
147.10185	2.4
154.08626	2.5
161.11728	1.1
165.11243	7.8
166.08592	1.4
167.07062	1.0
186.07564	1.5
196.35051	0.8
205.14420	1.2
223.15419	98.4
279.08691	3.1
385.20517	1.2
402.15268	2.0
403.15506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88831	0.7
59.05011	7.9
62.45998	0.8
69.41792	4.7
70.06595	1.0
72.08165	1.9
73.06590	1.2
84.10957	0.7
85.02881	0.7
87.04477	4.6
89.06040	100.0
91.05457	0.7
94.07406	0.6
96.04474	0.8
98.20753	0.9
103.07615	2.1
107.08572	0.8
116.78165	0.7
130.08649	0.8
131.07054	1.4
133.08614	53.5
147.10181	1.6
154.08658	2.7
177.11243	21.6
191.12869	1.2
218.37489	0.7
221.13950	4.3
221.15775	0.9
237.04292	0.8
239.14986	2.6
283.17590	4.8
316.08710	0.7
327.20172	36.6
328.20844	0.8
385.24405	17.9
402.15417	4.7
402.26688	0.9
402.37027	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
54.64318	3.9
55.05507	13.8
57.07071	4.1
60.35698	3.0
65.03930	4.5
67.05505	20.4
69.07079	18.7
69.24804	27.7
71.04996	12.5
79.05496	23.9
81.07073	37.1
83.08626	4.3
91.05495	53.8
93.07057	50.7
95.04961	8.1
95.08612	25.9
99.29592	3.2
103.05489	5.3
105.07041	100.0
107.08603	37.9
109.06532	54.8
109.10156	18.1
111.08126	9.1
115.05479	9.6
115.32704	3.1
117.07037	27.2
119.08592	86.4
121.10155	22.3
123.08076	6.1
128.06226	13.0
129.07001	22.0
130.07784	8.0
131.08578	68.4
133.10150	97.3
135.08072	16.1
135.11719	23.6
137.09625	6.9
141.07002	8.8
142.07825	34.4
143.08588	47.8
144.09335	7.8
145.10136	100.0
147.08063	6.0
147.11737	19.3
149.09634	4.4
153.06944	6.3
155.08545	18.4
156.09296	17.3
157.10156	68.3
158.10924	14.7
159.11723	34.1
161.09656	4.6
161.13219	5.8
165.07056	9.0
167.08563	9.8
168.09334	9.4
169.10167	26.8
170.10887	10.4
171.11699	34.2
172.12474	3.9
173.13287	45.6
175.14850	22.2
179.08571	9.6
180.09288	6.8
181.10114	14.9
182.10916	11.5
182.38583	3.2
183.11685	24.5
184.12453	5.6
185.13281	18.3
187.14873	43.8
189.12750	4.7
193.10168	11.1
194.10901	7.5
195.11696	24.5
196.12448	6.7
197.13260	19.2
199.14807	25.1
201.12706	7.3
201.16476	4.5
206.10875	11.3
207.11676	14.6
208.12422	5.1
209.13304	30.7
210.14218	3.5
211.14764	10.9
213.12772	4.9
221.13264	13.7
223.14839	13.8
231.11659	8.0
233.13438	4.6
235.14871	7.3
237.16335	6.3
251.17931	6.4
254.11563	3.1
263.17944	5.7
265.19547	9.3
274.95627	3.5
275.17755	3.8
277.19565	5.1
287.18008	4.2
296.30212	3.3
321.22336	3.7
333.22150	3.5
334.52890	2.9
343.24222	6.6
345.22171	4.0
358.26807	3.2
401.13370	6.1
401.17755	9.4
401.28198	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1549
Annotation	Noyaine
Peak:m/z	Relative Intensity
55.01001	0.5
55.01877	0.8
56.96564	0.9
57.03425	1.9
61.02921	0.9
62.06088	0.6
67.05512	0.5
69.03436	4.7
70.06602	4.5
71.51035	0.7
72.08145	2.0
73.02909	2.7
74.41426	0.5
81.03415	1.2
82.06588	1.0
84.04515	0.6
84.08144	5.0
85.02921	4.9
85.04022	0.6
86.09682	0.7
87.04488	1.7
91.05481	1.5
95.04958	0.6
97.02911	5.5
98.97587	2.0
99.04466	0.9
100.07625	2.8
101.00903	0.8
109.02901	1.2
110.97613	0.6
113.00855	0.8
114.09162	0.5
115.03979	1.3
119.01950	1.6
119.04952	1.0
121.06521	0.8
126.65131	0.5
126.93154	0.5
127.03923	2.9
129.06963	0.9
129.10271	4.8
131.01956	1.0
133.05009	0.7
136.06201	18.6
137.05986	2.2
143.01857	1.5
145.04927	0.7
145.14249	0.6
146.08145	2.4
147.04416	4.9
154.08646	2.2
155.01965	0.8
157.03474	1.0
158.99643	0.7
159.08032	1.9
161.03004	1.2
165.05499	0.6
168.95959	0.5
169.08821	0.9
169.93248	0.5
170.09659	2.2
179.07036	0.7
181.03539	0.8
183.10500	2.4
184.11182	0.7
185.02910	0.8
185.06030	1.1
185.12001	1.3
186.03152	0.7
197.08337	1.9
197.11940	0.6
198.12785	5.6
199.09929	0.6
199.13559	0.9
203.04030	1.0
203.07162	0.9
208.04866	0.5
208.11238	1.3
212.10706	0.7
223.09830	0.5
226.08687	1.5
226.12288	30.8
227.13097	1.3
228.13797	1.1
237.02902	0.6
240.08594	0.7
240.10757	2.1
241.03406	1.1
241.11055	0.6
245.05054	0.6
245.07993	0.6
247.06743	0.8
254.11781	5.4
255.12585	2.8
256.13245	4.1
261.15723	1.1
265.05838	0.7
268.13428	1.2
269.14096	3.1
272.12781	1.4
296.08350	3.8
296.58536	0.8
298.14545	1.0
312.16022	2.3
342.13303	2.8
356.14780	0.7
360.03180	0.6
384.14575	2.3
402.15540	100.0
403.15820	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.7
66.34709	4.2
67.05495	9.7
69.03414	6.8
69.07071	14.7
70.06570	8.7
70.80180	7.9
70.80513	7.3
71.04981	4.7
79.05491	12.6
81.07055	13.3
84.04530	7.3
85.02893	7.7
85.07655	5.2
87.39040	5.0
91.05495	13.2
93.07060	11.9
95.08612	7.0
97.02924	6.6
97.06542	80.4
100.95156	4.7
102.05553	9.0
105.04458	5.3
105.07030	9.3
107.04981	9.1
107.08611	6.5
111.08041	8.0
112.08856	9.3
119.04993	5.2
119.08579	15.1
123.04443	13.6
127.03913	5.6
131.04936	8.8
145.06491	18.7
146.06342	6.3
147.04356	9.4
159.08022	6.7
159.11713	6.0
160.05202	8.8
163.03889	9.4
167.07072	23.2
168.07382	13.1
171.08011	6.5
173.06013	13.1
173.09656	7.2
175.04013	5.2
175.07562	100.0
177.05510	18.7
187.07623	6.9
191.03406	11.4
193.04988	8.1
199.07533	7.4
201.09120	33.6
202.10019	8.1
203.03410	5.7
203.06999	8.6
205.04970	6.8
207.02965	9.7
211.07544	7.5
217.08560	9.6
218.09047	7.2
219.03017	15.5
219.10237	11.4
220.03293	12.0
225.09109	6.8
227.06929	13.9
229.08606	67.3
231.02905	6.9
231.10336	5.8
237.04187	6.7
243.10167	7.5
244.09737	6.4
245.08076	57.6
245.11783	9.4
255.06317	15.4
255.10124	9.3
263.09216	30.6
264.18188	5.2
271.05545	5.4
271.09659	5.4
273.07578	53.2
277.08221	5.2
282.08200	5.1
287.05209	9.7
289.10730	60.3
291.08621	99.2
293.06525	6.6
299.09143	9.9
301.06921	5.6
301.54370	5.9
302.07370	15.2
307.11771	18.5
309.09723	52.9
312.05853	29.8
313.06448	15.8
315.08572	9.5
316.08911	19.9
317.10226	21.5
321.13571	10.7
328.09128	25.2
331.11386	40.5
335.11301	87.7
338.11340	5.2
340.05371	8.4
349.12943	13.8
352.12814	8.1
353.12704	6.4
356.08658	25.5
367.14020	38.2
384.07831	19.0
384.15271	35.1
402.08926	56.8
402.15891	13.5
409.41071	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59361	3.9
53.03949	7.5
55.01872	16.3
55.05507	20.1
57.03428	12.2
57.07072	5.8
61.02927	10.7
61.58078	3.9
67.05516	21.9
68.99794	11.4
69.03432	40.8
69.07072	29.3
70.06591	6.1
71.01369	4.0
71.05006	35.4
71.24144	6.5
72.08146	11.4
73.02906	9.8
74.45934	4.1
79.05491	27.0
81.03431	37.1
81.07057	52.3
81.86076	4.0
83.04980	10.8
83.08624	11.0
84.08142	8.2
85.02911	58.7
85.06533	6.6
86.09691	12.9
87.00825	26.4
87.04479	5.0
91.05470	27.8
93.07040	39.4
95.04961	18.6
95.08604	20.3
97.02889	33.4
97.06560	11.1
99.04442	11.1
99.08100	12.7
103.03948	19.7
103.67352	4.0
105.01854	11.6
105.07037	36.8
107.04952	13.5
107.08622	39.0
109.02882	19.0
109.06525	100.0
109.10171	34.6
111.04445	8.9
111.08105	6.4
114.70833	4.1
115.03948	16.7
117.07029	13.3
119.04933	6.9
119.08583	31.2
121.06512	33.4
121.10151	19.6
123.04442	15.6
123.08068	13.0
123.11710	10.6
125.05984	4.7
125.09672	4.9
125.13302	4.6
127.03931	26.3
127.11243	11.7
129.01869	9.8
129.06998	5.9
131.08568	14.4
133.06433	5.7
133.10132	13.0
135.08069	16.7
135.11684	18.2
137.05949	5.0
137.09634	19.5
137.13274	5.6
139.11195	6.9
143.08572	11.5
144.09299	4.1
145.04951	9.1
145.10135	21.2
147.02960	5.3
147.08060	14.8
147.11711	8.7
149.09644	9.2
151.07509	7.8
151.11188	15.1
153.12750	15.6
155.08577	10.3
159.02890	5.1
159.07986	6.9
159.11702	18.2
161.09601	4.3
161.13220	5.1
163.07550	10.8
163.11205	9.7
165.12759	16.6
167.07106	20.0
171.11597	4.7
173.09639	31.4
173.13237	7.0
175.03806	4.3
175.07553	6.1
175.11150	6.0
177.12799	31.4
189.03998	7.9
189.08989	6.0
189.12628	8.4
191.10652	10.6
193.12251	11.1
195.13811	38.5
197.12978	14.4
201.03990	4.7
201.12779	7.0
215.13962	10.5
216.32788	4.4
219.13806	15.0
227.09138	11.3
237.14873	17.2
243.13824	16.5
261.14920	31.1
279.16119	5.8
315.08731	5.6
317.11295	6.1
330.11053	5.1
347.14926	10.7
352.07428	11.3
365.16443	6.5
383.15326	12.5
401.13684	9.5
401.18307	7.9
402.15375	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
67.05495	2.3
69.03434	2.4
71.04980	2.7
71.51686	1.9
79.05503	15.2
81.07053	4.3
83.04990	1.4
86.09695	1.5
91.05474	7.4
93.07046	1.9
95.04990	3.3
95.08639	2.0
103.05501	1.7
105.04496	1.5
105.07030	3.1
107.04964	30.8
107.08589	3.4
109.02888	1.4
109.10136	1.4
115.05460	4.5
116.06249	2.6
117.07037	2.1
119.08569	2.3
121.06520	2.3
121.10084	1.3
123.04430	4.5
124.05207	5.0
125.06004	2.3
128.06219	4.5
129.07011	5.9
131.04941	2.2
131.08589	8.9
133.06522	2.2
133.10149	2.7
135.04405	2.2
137.05983	2.2
141.06989	4.7
144.05737	8.7
145.06502	5.8
147.04433	1.6
151.03996	1.7
152.04704	3.2
155.08502	1.3
156.05704	13.2
156.25972	1.4
157.06496	4.7
158.07280	1.4
159.08067	17.5
161.06020	2.9
163.03911	3.2
165.07004	2.5
167.07053	87.7
169.06415	1.7
169.07695	2.1
170.07306	2.6
172.05275	3.1
173.05997	4.0
174.03203	1.3
175.07605	2.3
179.07103	3.1
181.04982	3.6
181.06509	2.3
181.08644	3.9
183.06555	1.6
183.08066	2.1
184.05229	3.3
186.06763	3.0
187.07565	11.1
190.06252	3.0
190.07800	2.0
191.08594	2.8
193.06587	1.4
195.06537	3.1
197.06003	1.9
201.09071	2.2
202.06282	6.2
202.07906	2.8
203.06865	1.6
203.08626	2.7
204.07802	2.3
205.06575	2.8
205.08586	19.4
207.06541	5.1
207.08301	2.2
207.10188	2.7
208.05209	18.2
208.08948	2.0
210.06775	2.6
211.07610	2.2
214.06187	1.8
215.06920	3.0
217.08603	49.5
218.07251	6.5
219.08072	11.0
219.10219	5.8
220.08881	6.5
221.05936	5.6
221.09758	1.9
222.03119	1.7
223.11200	2.3
225.05585	2.5
227.07100	1.6
229.08676	7.2
230.07381	1.6
231.08093	7.6
231.10059	2.6
232.08960	3.4
233.06056	2.6
233.09674	6.1
234.06789	3.0
235.07610	4.0
235.11319	2.3
236.04616	7.6
236.08344	2.6
237.09160	3.2
238.06281	2.8
239.06943	2.9
239.09074	1.8
240.04224	2.2
245.09605	2.0
246.06825	4.5
247.07524	14.1
247.09720	24.1
248.08299	12.1
249.09209	4.1
250.06190	2.3
251.06819	1.8
251.10681	4.2
253.08623	1.8
253.10992	2.5
254.05766	9.4
254.11320	13.5
255.06592	3.7
256.07315	1.6
257.04337	2.0
258.06970	2.1
259.07590	4.5
261.09198	6.3
262.06088	1.9
262.09885	3.9
263.07022	5.8
263.10648	11.3
264.04376	1.2
264.05301	1.4
264.07782	9.5
264.24185	1.5
265.08755	5.2
267.06589	5.1
268.03699	2.1
269.08118	23.2
271.06094	2.5
271.09671	9.8
272.06775	4.6
275.07010	6.6
276.07883	8.3
277.08621	5.9
278.05856	2.0
278.09308	2.7
279.07019	1.9
279.10217	7.5
281.08130	3.1
282.05222	4.1
282.08856	12.1
283.06067	2.4
284.06787	2.1
285.07639	2.9
286.04581	1.7
287.09326	2.8
289.08499	1.8
290.09412	3.6
291.07031	2.0
291.10159	12.4
292.07272	4.9
292.10687	2.5
293.08173	9.7
294.08966	3.0
295.09705	1.6
297.07495	1.5
299.09213	6.0
300.06375	2.0
301.06967	2.2
304.07089	1.9
305.08142	3.2
307.09607	13.8
308.10580	6.3
309.07574	3.0
309.11093	2.6
310.08533	7.5
311.09225	2.0
311.12802	2.7
313.10840	1.6
315.08652	83.7
316.09143	4.1
319.09738	9.1
321.07626	2.7
321.11108	2.6
322.08521	1.7
322.12137	2.7
323.09216	2.5
323.12741	15.6
324.09802	1.7
325.10590	3.2
328.09421	6.1
330.10986	100.0
331.11786	15.4
335.09244	1.7
336.09998	6.1
337.10693	8.9
339.12424	10.5
343.11810	17.7
350.11490	2.7
351.12335	31.7
352.13086	5.1
353.10208	6.8
356.12375	4.3
368.12698	11.6
369.13403	6.1
371.14902	7.3
383.14935	82.3
384.15262	2.2
401.11356	2.1
401.16043	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1235
Annotation	Lespedezacoumestan
Peak:m/z	Relative Intensity
51.84053	0.8
55.05502	1.8
55.27959	0.6
59.05008	11.5
59.56894	0.5
59.80251	0.5
67.05511	1.1
68.89553	0.6
68.99807	0.6
69.03428	0.9
69.07068	1.2
69.32231	1.6
69.32639	4.1
71.10085	0.6
71.20667	0.7
79.05490	1.0
81.07044	1.3
83.08606	0.8
91.05486	1.2
93.07011	1.5
95.05005	0.7
95.08598	1.5
97.06551	5.2
97.10128	0.8
103.05448	0.7
103.07482	0.5
105.07101	1.0
107.04988	1.0
107.08561	1.1
109.10166	0.8
119.08547	0.7
121.10212	0.6
123.08117	0.6
125.05981	0.6
129.07008	1.1
133.06557	0.7
133.10158	0.8
134.03752	0.7
135.08139	0.8
143.08569	0.8
145.06502	2.5
147.11719	0.8
157.06546	1.0
158.07249	1.4
158.72060	0.6
159.08044	1.5
159.11679	0.8
167.07039	2.6
168.00569	8.0
169.01350	4.2
169.04829	0.6
182.07237	0.9
183.02895	11.7
185.05991	1.2
186.01593	2.6
187.07504	0.7
194.02121	0.8
199.07579	0.9
205.08621	0.7
213.09166	0.7
217.08646	1.6
236.04655	0.8
237.09032	0.8
241.08595	1.4
254.05684	1.7
255.06456	1.1
257.04523	1.0
269.04538	0.7
269.08066	1.0
271.09561	0.9
277.72180	0.7
281.08142	1.1
282.05283	1.7
283.05939	3.2
285.04004	1.4
286.04611	2.0
297.03760	0.6
297.07599	0.7
298.04904	1.3
298.08194	1.4
299.05392	0.9
301.07053	0.8
309.04013	1.5
310.04794	9.7
311.05511	20.2
312.06107	0.8
313.06903	2.1
313.10733	1.9
313.14282	1.0
315.08606	2.8
325.07080	32.5
326.04282	0.5
326.07822	14.5
330.10950	2.2
335.05685	0.7
337.14243	0.8
338.07840	0.8
339.08710	0.9
340.09460	2.7
341.10229	69.9
342.10565	1.8
350.07690	1.7
353.06415	0.8
355.11685	2.8
365.09982	3.2
383.11227	100.0
383.14761	4.9
384.11542	1.6
401.12131	2.1
401.16382	1.3
401.21912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1237
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
51.93238	0.5
55.01923	0.6
55.05562	1.3
59.04738	0.7
59.05006	13.3
67.05559	1.0
69.07096	1.5
70.56537	1.8
79.05565	1.9
81.07124	0.9
82.31483	0.6
85.06679	0.5
91.05565	0.9
93.07089	0.7
95.08661	0.8
97.06544	6.4
105.07104	0.6
107.05028	0.8
109.10241	0.9
112.01681	0.6
117.07088	0.6
127.00304	0.6
131.08626	1.0
145.06494	3.4
157.06580	1.2
158.07350	1.5
159.08154	2.1
167.07140	2.3
168.00560	8.1
168.01823	0.7
169.01331	3.2
181.06509	0.8
182.07372	0.7
183.02899	17.1
183.08118	0.6
183.87402	0.6
184.05307	0.8
185.00797	0.9
185.06126	1.8
186.01642	3.3
195.08318	0.6
205.08681	1.1
208.05244	0.8
209.06033	0.6
217.08603	1.2
241.08708	1.4
247.07568	0.6
254.05736	0.9
255.06642	0.6
257.04538	1.8
265.04907	0.7
266.05728	0.7
269.04285	0.7
269.08191	1.0
270.05350	1.3
281.08148	0.9
282.05368	1.7
283.06107	3.0
283.09079	0.6
285.04047	2.5
285.07419	1.1
286.04718	4.8
297.07727	0.9
298.04907	1.4
298.08023	1.1
301.03711	1.3
301.07071	1.5
308.06839	1.1
309.03934	3.0
309.07309	0.7
310.04700	13.0
310.08224	0.9
311.05524	24.2
313.07071	1.6
313.10730	1.5
314.04230	0.9
315.08649	2.0
322.08466	1.0
323.12766	0.8
325.07074	36.6
326.04584	0.6
326.07858	15.7
329.06400	1.1
330.10989	2.6
331.11942	1.0
332.06662	0.8
335.05597	0.6
337.07053	1.0
338.07803	1.8
339.08548	1.4
340.09381	3.3
341.10226	80.4
342.10568	1.4
343.11905	0.8
350.07803	3.1
353.06473	1.0
353.10352	1.4
355.11716	3.5
365.10223	3.8
383.11209	100.0
383.14792	5.7
384.11496	2.1
401.12186	12.9
401.21332	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
69.03445	1.1
69.69806	4.4
72.08167	1.2
78.04729	1.2
79.05509	10.4
79.85670	1.0
81.07065	2.7
85.02932	1.2
91.05482	6.3
93.07051	3.9
93.70284	1.1
95.04996	2.4
97.02921	1.4
98.20816	1.5
105.07053	2.7
107.04974	27.7
107.08617	3.7
109.02847	1.1
109.06561	1.5
115.05452	1.6
116.06230	1.7
117.07058	2.2
121.06512	1.9
123.04450	3.3
124.05239	4.9
125.05994	1.4
128.06244	3.0
129.07018	4.2
131.08588	7.6
132.05774	2.0
133.06505	1.6
135.11705	12.7
137.05988	1.8
141.06996	3.9
144.05759	5.5
145.06511	3.8
152.04704	2.4
156.05711	7.9
157.06502	3.0
158.07306	1.7
159.08078	11.2
161.06020	2.4
163.03943	3.1
165.07002	1.6
167.07057	76.4
169.06444	1.2
169.45625	1.1
173.06001	4.8
179.07060	2.5
181.05069	1.6
181.08690	1.5
183.06529	1.3
184.05240	3.3
186.06786	3.1
187.07559	7.1
190.06279	2.9
191.07013	2.4
191.08560	1.9
193.06633	1.3
193.08673	1.6
194.07234	1.3
195.06592	2.6
197.06064	1.4
201.09164	1.4
202.06270	3.7
202.07887	1.4
203.07022	1.8
203.08687	1.9
205.06717	1.7
205.08572	12.3
207.06529	3.9
207.10179	1.1
208.05228	20.5
208.08829	1.2
209.06006	1.6
209.07896	1.5
211.07399	1.4
217.06567	2.3
217.08620	27.2
218.07324	4.2
219.08084	9.7
219.10213	4.0
220.08881	4.5
221.06085	5.3
224.04739	1.4
227.07188	1.8
229.08640	3.9
230.07280	2.0
231.08142	6.8
232.08875	2.7
233.05971	2.5
233.09660	2.9
234.06738	2.2
235.07587	3.3
236.04710	7.8
236.08438	3.2
239.06972	2.0
241.08664	1.9
245.09668	2.9
246.06870	2.9
247.07510	11.2
247.09741	14.1
248.08255	9.9
249.05356	2.7
249.09225	1.8
250.06245	1.1
251.10623	2.0
253.10878	3.6
254.05806	11.1
254.11325	8.0
255.06395	2.0
257.04376	2.7
259.07526	3.6
260.08350	1.8
261.05475	1.4
261.09149	3.8
262.06177	1.5
262.09906	1.6
263.07068	3.3
263.10599	7.4
264.04468	1.3
264.07785	5.3
265.08636	4.1
267.06540	6.5
268.03647	2.1
268.10980	1.8
269.08093	24.2
271.06216	2.0
271.09735	5.9
272.06827	4.7
273.09048	1.8
275.07074	6.4
276.07822	7.6
277.08673	4.5
278.05817	1.7
278.09247	1.8
279.07379	1.2
279.10187	7.2
281.08133	2.7
282.05344	4.2
282.08905	11.8
283.06003	1.4
285.07730	2.2
286.04819	1.9
287.09290	4.5
289.08664	1.7
290.09219	3.1
291.07077	2.0
291.10159	12.0
292.07349	3.7
293.08197	5.7
294.08951	1.3
297.07617	1.7
299.09171	3.6
300.06424	1.8
301.07178	2.1
304.07452	1.5
305.08221	2.7
307.09619	8.5
308.10403	4.9
309.07611	1.4
309.11212	1.7
310.08310	7.5
313.07312	1.4
315.08652	85.4
316.09235	2.4
319.09756	7.7
320.10425	2.4
321.07562	3.6
321.11197	2.2
322.08289	1.9
322.11884	1.3
323.12769	11.9
325.07123	1.6
325.10773	2.3
328.09473	3.9
330.11005	100.0
331.11667	10.9
335.09235	1.7
336.09961	3.8
337.10693	5.4
338.11563	1.9
339.12323	8.4
343.11746	15.8
351.12323	25.7
352.12994	3.2
353.10190	6.1
356.12491	2.3
368.12640	8.2
369.13220	4.3
371.14981	5.1
373.16537	1.7
383.14902	67.2
401.16083	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	400.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.6
55.05505	7.8
57.03434	8.9
64.26986	2.4
65.48537	2.6
67.05509	32.2
69.03428	3.3
69.07071	13.3
71.03159	5.6
71.05003	3.8
79.05503	16.8
79.35407	2.2
81.03414	4.7
81.06598	2.9
81.07063	38.8
83.04974	8.2
83.08588	4.2
85.06541	5.7
89.85558	2.4
91.05492	31.4
93.07047	24.6
95.04953	7.9
95.08589	12.4
97.06498	6.2
99.04455	3.0
102.84012	2.5
105.07051	25.9
107.04958	3.1
107.08611	26.9
109.06519	4.8
109.10168	45.2
112.78817	2.4
117.07014	3.1
119.08562	10.2
121.10084	2.6
123.11713	7.6
131.08586	6.2
133.10141	52.3
145.10112	4.2
149.09633	5.5
151.11179	29.2
161.09662	3.4
161.14890	2.4
165.86963	2.7
169.12250	3.3
177.09152	2.6
179.17471	2.3
199.22122	2.9
215.12813	4.5
238.08731	3.7
245.18977	3.7
252.10054	3.3
253.11075	19.3
253.14360	100.0
263.20163	4.3
271.15436	21.5
273.18488	13.6
291.19531	12.6
308.22833	3.8
356.50116	2.7
365.23108	24.2
400.14005	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1235
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
53.82369	0.4
55.05604	0.8
59.04794	10.0
67.05611	0.6
69.07149	0.5
70.17271	0.5
70.17619	1.7
70.23137	0.4
77.27957	0.4
79.05607	0.7
91.05596	0.7
97.06693	1.4
98.21419	0.5
107.04527	0.5
107.05154	1.4
107.08732	0.4
111.44290	0.4
126.89232	0.4
131.07600	0.4
131.08690	0.5
140.01198	0.7
142.04324	0.6
159.08185	0.8
167.07045	5.0
168.00574	4.8
181.05099	0.5
183.02969	0.5
186.01814	1.6
187.07655	0.6
205.08775	0.7
208.05176	2.1
217.08759	1.5
219.08064	0.4
222.01088	0.5
234.47879	0.4
236.04816	0.6
241.08844	0.6
247.07596	0.8
247.09799	1.1
248.08438	0.7
253.05046	0.8
254.05914	0.9
256.03729	0.6
264.04343	0.8
264.07907	0.5
265.04977	0.7
269.04889	0.4
269.08167	1.4
270.05215	0.6
271.06308	0.5
272.07001	0.5
279.06540	1.0
279.10184	0.5
282.05206	2.4
284.03186	1.8
286.04889	0.6
291.10123	0.7
293.04590	0.6
293.07999	0.7
301.07196	0.5
309.03928	9.5
310.04736	49.9
311.05185	0.9
313.07135	1.5
315.08621	5.4
323.12720	0.8
324.06384	0.6
325.07089	100.0
326.04181	3.0
326.07559	2.1
327.04883	1.3
330.10983	6.0
337.10553	0.8
339.08444	0.6
339.12213	0.7
341.06653	3.9
343.11578	0.9
350.07727	1.3
351.12192	1.6
353.06409	1.2
353.10330	0.6
365.10010	1.3
383.10913	7.9
383.15833	3.2
384.11215	0.4
390.24725	0.5
401.12128	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	400.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04962	0.2
61.71023	0.1
69.03368	0.2
70.06550	0.3
70.86232	0.4
89.05976	0.3
89.06522	0.1
95.04972	0.1
109.10150	0.2
120.01276	0.2
161.19278	0.2
195.69168	0.1
207.06612	0.2
223.06317	0.3
226.08507	0.2
228.31772	0.2
236.10681	0.2
237.07861	0.3
238.08633	18.6
239.09232	0.5
245.93335	0.1
252.10223	14.6
253.10989	100.0
254.11372	2.0
266.11795	0.3
267.12457	0.2
276.31104	0.2
296.12848	0.2
310.14435	0.5
340.11954	0.4
356.08557	0.3
357.58820	0.2
371.07675	0.3
382.12903	0.2
400.14026	12.5
401.14319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51998	0.2
70.28314	0.5
70.28680	0.4
83.65446	0.2
90.86873	0.2
98.94116	0.2
136.31502	0.2
138.03824	0.2
174.46664	0.2
197.08255	0.2
216.12997	0.2
236.10686	0.3
237.07916	0.3
238.08635	20.0
239.09218	0.4
252.10220	14.2
253.10992	100.0
254.11372	2.3
258.08813	0.2
266.11926	0.3
267.12677	0.3
310.14664	0.2
316.97787	0.2
340.11728	0.6
400.13940	11.7
401.14459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01875	7.9
57.03189	1.3
57.03442	14.4
59.04987	1.0
61.02652	1.1
61.02933	14.4
69.03432	34.8
70.26801	2.5
71.01348	3.8
71.04970	2.2
71.08635	1.0
72.04530	0.9
73.02924	76.5
79.05479	1.0
81.03442	7.1
83.04971	2.2
85.02911	100.0
87.04480	9.1
91.03963	4.4
91.05487	1.0
95.04960	1.0
97.02898	54.0
98.21415	1.1
99.04458	4.4
101.05991	1.3
103.03934	3.1
109.02877	7.3
115.03944	29.9
127.03925	30.9
132.06560	1.1
133.04971	43.0
144.06630	0.9
145.04970	57.7
150.07631	3.3
163.06030	30.6
163.07401	1.5
173.06084	0.9
175.03883	2.1
177.05481	1.1
178.18245	0.9
193.04984	1.7
208.06822	1.0
217.07118	1.2
222.94978	0.8
223.05994	5.6
241.06964	7.1
243.06555	0.9
251.14897	7.1
253.10930	2.8
259.08194	9.5
261.11078	1.0
277.09238	2.5
295.10370	4.7
295.73065	0.8
333.09055	1.1
351.07019	2.5
355.56482	1.1
400.14200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
57.03442	19.9
59.05010	4.5
60.04516	1.4
61.02944	8.5
61.44066	1.6
69.03439	58.7
70.06598	2.5
70.78689	3.6
71.01338	2.0
71.05008	1.9
73.02927	33.5
74.69362	1.6
77.68553	1.4
81.03432	6.4
83.04976	1.9
85.02916	100.0
87.04482	40.4
91.03976	2.4
97.02905	65.1
99.04472	4.1
100.07592	1.7
100.11263	2.2
103.03950	5.1
109.02846	7.3
111.04446	2.5
115.03942	70.7
127.03929	24.3
128.07077	2.2
132.51607	1.5
133.04980	84.4
145.04974	58.4
150.07639	8.5
151.03929	1.6
163.06032	27.1
167.07050	1.4
169.04990	2.3
169.75024	1.6
172.43085	1.5
175.03909	6.5
182.15407	2.5
183.15739	3.4
193.04980	1.9
203.03386	2.5
210.14928	3.2
211.15251	3.8
223.06009	3.9
241.07069	3.1
243.06453	1.6
247.02354	2.5
251.14973	4.3
253.10982	3.8
259.08148	6.3
277.09210	3.6
295.10312	5.8
323.94409	2.1
338.21472	2.0
351.07211	12.6
383.24078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.5
55.05502	20.4
57.03422	11.4
67.05505	59.4
69.07094	16.6
71.12466	29.2
79.05507	29.2
81.07069	53.4
83.04961	22.3
85.25500	11.3
91.05490	51.1
93.07055	34.3
95.08604	18.0
97.06534	19.2
101.33917	10.6
105.07026	51.1
107.08589	37.0
109.10168	73.8
119.08559	15.3
121.10116	31.8
123.11694	14.9
128.40207	10.7
131.08553	19.7
133.10143	82.9
134.30412	12.0
135.11703	16.4
145.18044	11.8
151.11209	46.7
169.12224	12.3
217.07144	12.5
238.08487	14.1
253.11087	87.7
253.14255	100.0
259.21167	12.9
259.36676	12.7
271.15436	24.4
273.18579	17.3
344.08304	13.8
365.23248	62.4
400.34521	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	399.326
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
53.03918	0.5
55.05510	2.6
57.07073	1.5
60.04526	1.3
64.09382	0.5
67.05509	4.6
69.03419	1.6
69.07071	4.6
71.08627	0.6
74.30882	0.5
79.05490	4.1
80.46959	0.4
81.07066	11.6
83.05000	1.0
83.08624	2.2
87.77304	0.4
89.48836	0.4
91.05470	2.4
92.69379	0.5
93.06490	0.7
93.07050	9.9
95.04934	1.0
95.08608	17.0
97.06519	1.5
97.10162	1.5
98.82074	0.5
105.07033	9.8
107.08608	13.7
109.06535	2.6
109.10169	10.2
111.08112	0.7
117.07012	1.8
119.08592	10.3
121.06516	2.8
121.09334	0.7
121.10152	9.7
121.11019	0.5
123.08067	1.7
123.11715	6.7
125.99476	0.5
129.05553	0.6
129.06958	0.6
131.08571	3.7
133.10141	7.5
135.08047	1.5
135.11705	13.2
137.13280	2.5
144.09314	1.2
145.10139	4.6
147.11697	8.2
149.09625	0.5
149.13258	4.7
151.11182	1.8
153.12804	0.6
157.10115	1.3
159.11700	12.8
161.13277	3.7
163.11151	0.9
163.14815	3.1
171.11694	1.4
173.13269	2.6
175.11212	1.8
175.14828	2.5
177.12764	14.6
177.16405	1.4
183.11687	0.5
185.13365	0.7
187.14828	1.9
189.12813	0.9
189.16409	2.2
191.10660	0.6
191.14371	4.6
191.17950	8.7
196.18834	0.5
199.14890	0.9
201.12796	1.6
201.16411	2.2
203.14291	1.2
203.17973	3.2
205.19600	1.2
213.16515	1.0
214.06055	0.5
215.14386	1.4
215.17935	1.0
217.15886	0.9
217.19601	1.3
219.17444	0.7
219.88312	0.5
227.18036	0.8
229.19540	0.8
229.77705	0.5
231.17519	0.6
231.21129	0.8
243.17480	0.8
245.19029	2.5
259.20575	1.7
271.20639	0.9
285.22076	0.6
325.25009	0.6
363.30490	1.2
381.31528	18.5
399.32599	100.0
400.32932	2.0
400.37686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1444
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
52.89825	1.3
55.05510	3.0
57.07074	1.2
61.48221	1.3
67.05508	4.0
69.03457	1.1
69.07079	29.3
70.94317	3.1
79.05522	1.7
81.07060	5.3
91.05497	1.7
93.07055	4.9
95.08606	8.0
97.01565	1.4
101.06104	1.4
105.07066	2.5
107.08611	4.3
109.10172	3.4
119.08643	1.6
121.10160	4.7
123.11745	1.6
129.05522	2.2
129.34045	1.2
131.04955	2.8
131.08556	1.9
133.10126	3.7
134.69188	1.3
135.08060	1.6
135.11731	5.4
147.11769	2.2
149.13313	3.5
159.11832	1.4
161.13263	1.7
183.46237	1.2
191.18019	4.7
207.13805	1.7
209.15388	2.7
214.06305	1.6
254.05722	1.7
273.04050	4.6
282.05359	5.3
285.04031	1.6
298.04752	5.0
301.03491	27.0
310.04764	5.7
313.03442	7.0
316.05930	9.3
328.05817	11.5
331.04739	1.3
331.08185	32.5
343.08160	44.1
360.30304	1.6
369.09793	4.7
399.14478	100.0
399.32813	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17344	0.9
53.03940	2.0
55.01877	1.5
57.03230	0.7
57.03444	7.2
59.69434	0.7
60.90282	0.8
61.02926	3.5
69.03429	9.3
69.55395	4.6
70.06575	0.8
70.86423	0.8
71.04992	1.8
73.02914	4.0
74.03230	0.9
74.75891	0.7
75.04464	1.2
81.03418	5.7
81.07077	0.8
85.02910	26.5
86.03236	1.0
87.04482	1.2
91.03965	1.8
91.05463	1.1
95.04996	0.8
97.02898	11.2
99.04460	3.1
99.43038	0.7
103.03976	2.7
103.05472	43.0
105.07034	1.8
107.04947	0.7
109.02882	5.4
115.03955	1.5
117.05470	1.7
119.04932	1.5
119.08625	0.9
124.48499	0.8
127.03919	6.9
128.69453	0.8
130.04152	1.4
130.55087	0.7
131.04938	100.0
133.06522	1.2
145.04953	3.8
147.04364	0.8
148.05194	12.1
161.05962	4.6
163.07545	53.7
175.03944	2.3
175.07573	1.3
189.09129	1.4
201.07567	1.2
201.09180	1.9
203.07556	1.1
207.06529	4.7
209.11517	0.8
219.10327	1.2
237.11334	3.8
399.15982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
57.03440	20.4
59.05002	2.7
61.02933	12.0
69.03433	41.6
69.07072	29.5
71.01357	3.8
71.04998	2.6
71.16412	3.5
73.02924	60.4
80.01595	1.7
81.03413	5.7
81.07094	2.2
83.05026	2.1
85.02914	100.0
87.04478	14.3
91.03960	4.0
91.05450	1.7
93.07060	2.2
95.08654	1.9
97.02902	62.2
97.35547	1.5
99.04465	5.5
99.43961	1.5
103.03965	4.5
108.43527	1.3
109.02886	9.4
109.06528	1.8
111.04435	1.7
111.08090	6.1
114.55940	1.5
115.03947	45.3
123.08147	1.7
127.03930	33.3
133.04976	67.3
133.84669	1.4
135.08066	1.8
145.04976	59.6
145.92566	1.4
150.07628	6.4
153.09146	1.6
163.06032	37.8
163.07408	2.1
180.08852	1.9
183.10188	4.9
190.96968	1.5
193.05061	2.1
195.10286	2.1
199.06033	2.1
201.11246	4.4
207.06770	2.0
213.11279	3.0
217.07133	2.5
223.05992	7.8
231.12244	4.7
241.07089	10.1
259.08163	20.3
277.09216	4.2
293.80240	1.6
295.10287	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	399.129
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
51.02387	1.0
52.17098	1.0
53.03946	3.3
55.01880	1.6
55.36541	0.9
57.03447	7.7
57.07085	2.0
59.05002	2.1
61.02935	2.4
61.88300	1.0
62.12350	1.0
64.00793	1.0
66.33656	0.9
69.03438	11.3
70.03761	1.1
70.06603	5.9
71.50991	1.2
73.02920	3.1
74.87753	1.2
75.04465	1.3
79.05502	1.8
80.56287	1.0
81.03432	6.2
83.05013	2.1
85.02913	29.0
86.09717	1.3
87.04483	2.4
90.04784	1.0
91.05486	19.8
93.07069	1.2
93.90261	1.0
95.04951	2.1
97.02901	10.8
98.03312	1.0
98.97595	1.3
99.04473	3.9
103.03986	1.4
103.05475	48.8
105.07048	2.3
107.04950	2.5
109.02895	4.5
111.04469	1.2
117.05514	2.6
119.04967	25.3
121.02834	1.1
123.04402	1.2
127.03933	9.8
129.05554	1.4
130.04149	1.3
130.08661	1.2
131.04944	100.0
132.02083	1.4
132.04492	1.3
133.04912	1.5
133.06509	2.2
136.06171	1.8
137.05980	1.5
145.02780	1.8
145.04956	4.3
145.06326	1.0
147.04413	21.2
147.08069	1.6
148.05200	12.8
149.02483	1.3
149.06064	1.3
151.03918	2.7
157.03993	2.6
159.06601	1.0
161.06006	4.5
161.09619	1.1
163.07558	50.3
167.07014	1.3
175.03940	37.1
175.07553	1.6
179.07098	2.9
181.75172	0.9
188.05545	1.2
201.09161	2.5
207.06554	76.7
212.72543	1.1
215.10764	1.1
219.10249	1.6
237.11337	3.0
242.97609	1.0
255.58290	1.2
267.09235	3.4
293.08044	1.4
399.11569	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	398.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41626	0.3
57.03433	0.5
57.07185	0.4
69.03415	1.5
70.06578	1.3
72.08143	0.6
78.88070	0.4
83.64076	0.3
84.04494	0.5
84.08147	0.4
85.02905	3.0
86.09690	1.0
87.04437	0.5
91.05457	0.8
97.02895	1.2
98.21547	0.9
99.04421	0.4
103.09273	0.4
106.06549	0.4
109.02868	0.6
116.07112	0.5
119.04921	0.5
124.07561	1.8
126.09132	0.8
127.03896	0.6
129.10120	0.5
130.06543	0.8
131.07300	1.3
132.08072	1.8
138.09125	0.6
140.85480	0.4
144.08101	1.0
145.05009	0.4
147.04382	0.8
152.07059	0.7
154.06549	0.7
154.08690	0.5
158.99661	0.4
159.06798	12.1
160.07596	4.0
163.07584	0.6
170.05989	3.3
172.07578	36.7
173.07910	0.5
174.05435	0.6
175.03929	0.8
188.07068	75.9
189.07384	1.0
200.07074	13.8
207.06517	1.4
218.08121	22.7
236.09177	100.0
237.09521	1.4
259.14496	0.9
269.87778	0.4
277.15393	1.2
301.10739	0.5
324.05661	0.4
354.08841	0.7
360.85562	0.4
365.06042	0.8
380.08630	0.5
398.08417	3.2
398.14410	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29843	2.1
54.92350	2.3
57.03449	18.0
59.04980	3.8
61.02909	4.9
69.03437	71.5
69.06734	3.0
69.07070	34.5
69.98048	6.6
69.98443	6.2
72.08174	2.6
73.02922	4.3
81.03432	4.4
81.07045	2.5
85.02914	72.5
86.09716	3.1
87.04473	50.4
91.03941	3.0
91.05435	2.9
91.82489	2.2
93.07040	3.9
97.02900	56.6
99.04473	3.9
109.02859	4.0
111.04428	2.7
111.08076	14.5
115.03941	93.6
119.08539	3.2
127.03947	16.8
133.04973	100.0
145.04982	30.0
150.07625	7.4
163.06055	23.7
165.09056	2.8
169.04906	4.2
183.10187	2.3
201.11200	5.0
213.11331	2.7
214.36055	2.4
259.08133	10.0
270.25107	2.5
277.09244	6.7
295.10318	18.4
374.27103	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	397.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.7
57.07080	2.1
67.05503	4.7
69.07066	9.7
70.22308	1.4
71.04980	3.5
71.08623	4.2
71.12361	4.0
72.04521	19.6
73.77509	1.5
74.05665	1.6
74.35822	1.5
79.05485	4.5
79.71860	1.5
81.07056	12.5
84.08147	2.1
85.06525	3.0
91.05491	9.0
92.05788	1.6
93.07044	6.0
95.04958	4.5
95.08614	9.5
97.06548	1.5
99.08094	3.2
101.09650	3.2
105.07039	5.5
107.08600	3.8
109.06532	7.6
109.07182	1.5
109.10153	5.7
114.09171	5.1
117.75221	1.4
119.08608	7.3
121.06500	2.5
121.10146	2.7
123.83086	2.0
128.10715	3.4
131.08574	2.2
133.10123	3.6
135.08035	1.8
135.11746	2.5
137.09715	1.5
145.10138	4.1
147.11693	4.4
149.13293	3.3
165.12761	31.6
173.13258	2.7
182.15424	4.1
191.14293	3.1
201.12764	2.2
212.16486	1.9
213.56828	1.5
220.17061	2.8
229.19498	2.0
236.20099	8.3
271.20685	2.0
289.21552	2.7
298.43597	1.5
316.26422	4.6
333.91940	1.6
334.27423	100.0
347.25903	1.9
365.40982	1.8
397.30933	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0922
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
51.27126	0.5
65.51566	0.5
67.05486	0.7
68.99801	0.9
69.03436	7.4
69.07071	0.6
71.52190	0.7
72.39812	0.6
78.76118	0.6
81.07060	1.9
90.04683	2.3
91.05502	3.2
93.07056	0.9
95.08607	0.8
97.02898	30.2
97.03531	1.5
99.70150	0.5
104.88250	0.6
109.10135	0.8
113.44764	0.5
118.04156	1.5
119.04924	1.1
127.05840	0.6
131.04898	0.8
133.10193	0.7
139.00270	0.7
145.10129	0.7
153.01819	1.0
159.04443	1.9
169.01311	1.2
182.02145	1.5
183.02936	1.0
183.04376	0.6
185.00826	1.9
185.05969	0.8
187.03923	1.3
200.03154	0.8
201.05533	0.8
211.03963	1.2
213.05389	0.8
224.28113	0.7
225.05475	2.2
226.06294	4.8
228.04324	1.0
229.04990	10.8
239.03540	0.9
253.04938	1.3
254.05750	16.7
257.04471	38.1
267.03033	0.7
272.06802	5.7
282.05276	8.6
285.03967	17.7
286.04770	4.1
299.05478	0.9
300.06302	100.0
301.06931	4.0
303.58020	0.7
336.05984	0.6
351.08578	0.7
362.72150	0.6
397.09195	92.6
398.09558	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2224
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
51.69069	1.0
53.03931	2.7
55.01852	4.0
55.05515	16.2
55.33378	0.9
57.03414	3.6
59.04981	1.3
61.02941	5.0
61.03177	1.2
67.05476	3.9
69.03432	18.4
69.07026	2.8
70.06529	1.4
70.72768	1.5
70.73117	2.2
71.01360	1.0
71.04976	2.8
73.02892	3.5
79.05498	6.0
81.03413	8.4
81.07068	12.0
83.04966	2.5
83.08577	1.1
83.33131	1.1
83.72462	1.1
84.08101	1.4
85.02908	33.9
85.06567	4.9
87.04433	3.3
88.94950	1.0
91.03924	2.0
91.05470	6.8
93.07051	9.3
95.04969	5.7
95.08621	5.1
97.02906	13.0
97.06475	4.0
99.04428	2.2
101.05981	1.1
103.05462	1.0
105.07045	11.5
107.04926	1.2
107.08614	9.2
109.02920	7.0
109.03558	1.7
109.06491	3.4
109.10115	4.0
111.08067	1.2
115.03889	1.5
117.06991	2.9
119.04917	1.7
119.08579	10.8
120.08862	1.2
121.06459	1.6
121.10182	5.1
123.08073	2.4
125.05971	2.7
127.03931	9.9
129.06999	2.3
131.08519	3.9
133.06485	1.0
133.10152	15.9
135.08006	4.4
135.11642	2.1
137.06004	5.7
137.09636	1.7
142.07703	2.2
143.08578	4.8
145.04958	8.1
145.10057	4.7
146.07170	1.2
147.04431	2.2
147.08038	11.6
147.11629	4.0
149.09619	15.4
151.11153	1.4
156.09305	1.9
157.10072	3.4
159.07997	1.0
159.11668	3.5
161.09622	16.5
161.13112	1.2
162.10458	8.5
163.11156	5.2
168.00513	1.6
170.10864	1.4
171.11609	2.8
173.09512	1.1
173.11719	2.3
173.13158	2.1
174.12083	1.7
174.13638	1.1
175.11104	2.4
179.10689	16.2
181.04927	1.1
181.12207	1.9
183.02892	4.8
186.01527	1.1
189.03935	1.2
189.16426	2.1
191.06924	1.6
199.14801	3.6
213.08998	1.2
217.15887	100.0
218.16075	1.7
235.07478	1.1
235.13187	1.3
235.16920	6.6
247.11798	1.5
259.15042	1.5
263.07047	1.9
273.11035	1.8
274.13852	1.6
279.06433	1.8
281.04358	1.1
302.17261	1.6
303.17838	9.9
309.07483	1.7
327.08395	1.2
334.20370	1.1
335.20413	12.1
341.06326	1.4
353.10117	1.3
379.07843	1.6
379.23267	2.2
397.08780	4.3
397.13513	5.4
397.17117	3.2
397.22104	37.3
398.23138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94020	1.1
57.07082	55.3
58.10161	1.2
59.05008	13.8
69.07065	2.3
69.69891	6.7
71.08638	100.0
79.05496	1.7
85.10189	56.0
87.04465	1.8
89.06039	57.2
93.07068	1.7
98.21535	2.3
103.07575	3.6
104.90608	1.3
105.07036	1.7
107.07101	1.5
111.11736	1.7
127.14871	8.8
130.08650	1.4
133.08620	24.5
151.09732	1.2
167.16035	1.2
177.11249	24.2
185.19040	13.8
186.65915	1.2
195.12328	17.3
209.21428	1.2
229.21706	2.3
235.15500	4.9
239.14937	16.7
253.16454	2.1
264.90262	1.2
379.30615	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	397.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
57.03437	1.4
57.78466	0.6
62.52111	0.7
69.03427	3.3
70.06572	2.2
70.44738	2.4
73.02966	0.8
81.03416	4.8
82.99780	0.8
85.02918	4.8
86.38432	0.7
86.58804	0.6
97.02883	4.3
100.07644	1.5
101.00874	3.1
109.02891	9.8
109.11832	0.7
110.07203	4.4
119.01905	2.4
119.04935	0.9
121.02866	3.5
127.02390	0.7
127.03910	3.0
133.01682	0.9
133.04982	1.2
143.01913	1.8
145.03471	2.8
146.08093	2.3
147.03316	1.2
147.04390	4.9
149.00912	3.3
149.02113	10.7
152.51627	0.7
155.01968	1.3
157.03493	1.3
161.02983	1.6
167.01897	19.4
167.03307	1.3
169.03387	0.8
173.03017	1.3
185.02969	100.0
186.03204	0.9
187.02835	1.6
199.04518	1.3
203.04004	12.6
203.05777	1.1
205.03648	1.7
208.04491	1.2
209.02953	12.9
211.04503	1.4
213.12340	1.0
219.05130	1.0
220.84317	0.8
221.02968	2.1
221.04962	1.4
223.04507	4.5
227.03964	13.3
233.02942	5.1
235.04697	3.3
235.06573	1.2
237.06172	2.9
239.04066	3.5
241.05759	1.5
245.02962	5.3
245.05138	1.8
247.04515	2.5
249.06065	2.0
250.05318	0.9
251.04066	8.4
253.01918	2.9
253.05577	4.5
263.04044	13.8
265.05551	4.6
269.05099	1.4
271.04355	4.8
275.03964	6.2
277.05881	3.5
277.08261	1.1
281.05038	2.9
293.05032	10.4
295.06549	1.1
305.04984	1.1
307.06674	0.9
311.06116	39.6
317.05020	0.9
321.10352	1.3
329.07050	1.5
335.06277	4.7
337.09763	2.2
353.08408	15.7
355.08716	1.7
379.05722	1.3
397.07379	57.6
398.07300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	2.0
69.66341	4.0
70.06589	0.8
79.05491	1.0
81.03443	0.7
85.02904	1.3
95.08607	0.8
97.02882	1.4
107.04910	0.7
113.09776	0.7
127.03962	0.7
128.70332	0.7
149.02132	12.0
167.03172	1.9
185.02873	1.0
185.04295	1.5
193.68207	0.7
227.05286	3.9
237.05571	0.7
263.07095	1.0
271.04285	15.8
311.07498	1.9
314.94443	0.6
336.06400	1.0
353.08456	26.3
369.09891	0.9
380.10922	0.9
397.07468	100.0
398.07861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55449	0.5
52.88557	0.6
54.12308	0.6
63.57317	0.5
70.17753	1.1
70.18135	1.6
78.15744	0.6
92.47758	0.5
96.15405	0.5
110.07159	0.6
127.03910	1.3
148.01289	1.2
149.02121	18.3
149.03317	1.1
161.55931	0.5
178.70055	0.5
185.02968	2.1
185.04416	0.8
227.05293	2.3
271.04285	5.9
311.07410	7.5
311.28900	0.6
353.08463	23.0
397.07437	100.0
398.07858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1322
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
56.96563	0.9
57.03428	1.9
66.22275	0.6
69.03442	0.9
69.90397	2.5
70.06603	0.9
73.02930	0.7
74.37244	0.6
85.02902	2.9
86.09683	0.9
89.69799	0.8
91.05513	1.0
97.02881	1.3
97.06544	0.6
98.97620	1.9
116.07130	0.9
119.04983	1.0
120.08131	1.5
127.03962	1.1
130.05020	0.7
143.85835	0.7
147.04428	2.6
162.04057	1.0
199.68295	0.8
205.46922	0.6
215.14397	1.2
234.99036	1.4
239.02345	1.0
263.08655	0.8
293.62347	0.7
335.04031	0.8
395.13232	100.0
396.13556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34340	1.3
53.03941	2.7
55.01863	2.4
55.05511	13.8
57.03446	2.5
57.07062	1.3
60.21495	1.4
67.05492	2.6
69.03429	14.2
69.07074	100.0
70.06585	4.5
71.04993	3.4
71.36684	1.5
72.08128	1.8
73.02920	3.3
79.05486	3.3
81.03427	10.2
81.07044	3.1
82.06553	1.4
83.04990	2.7
84.08152	1.8
85.02907	29.3
85.06517	2.9
86.09681	1.4
87.00826	13.6
89.06032	2.8
90.79262	1.3
91.05476	3.0
93.07064	2.7
95.04964	1.3
95.08613	3.5
95.93250	1.4
97.02901	12.0
97.06567	1.4
99.04476	13.2
105.01875	15.2
105.07018	5.9
107.04969	2.3
107.08588	4.7
109.02906	10.3
109.06513	1.6
111.04504	2.1
111.11726	49.9
112.59459	1.4
117.05489	4.3
117.07027	2.0
119.08592	3.1
121.02845	2.1
121.10130	1.7
127.03931	17.4
129.06950	1.5
129.12761	38.1
131.08551	1.7
133.10106	2.4
135.08075	1.8
137.06056	2.1
137.15811	1.4
140.97726	1.5
143.08453	1.6
145.04967	4.5
145.06584	2.0
145.10143	5.5
147.04449	1.7
147.11583	1.6
147.13838	7.4
149.02354	4.7
161.09612	1.8
163.11220	3.3
165.02533	2.0
165.09126	3.0
169.10033	1.5
173.06154	1.9
173.13416	1.7
175.11217	1.7
187.11232	2.4
200.01762	1.7
203.07054	2.0
210.97067	1.3
212.03448	6.3
215.10678	3.8
215.14333	2.0
228.01135	3.9
230.02698	3.0
231.04968	3.3
246.02188	7.8
248.61557	1.6
256.00620	17.5
274.01517	3.3
292.02719	12.0
299.05798	1.9
323.05829	1.6
338.03387	1.9
339.08725	1.5
377.16238	1.5
395.05942	9.8
395.16833	4.3
395.21939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
55.05506	14.8
56.49350	1.8
57.03433	3.2
57.07091	10.3
59.04994	3.3
66.82847	1.8
67.05508	26.8
69.03429	6.0
69.07075	15.8
71.04993	7.4
71.08623	4.1
71.51492	4.2
75.65558	2.0
76.76033	1.7
79.05489	5.0
81.03426	6.0
81.07067	52.8
82.06585	3.0
83.05007	2.7
83.08630	21.4
85.02934	10.3
85.06546	13.5
85.68679	1.8
91.05484	5.0
93.07047	5.8
95.04952	2.0
95.08616	88.7
97.02913	5.2
97.06493	4.3
97.10162	16.3
99.04440	2.4
99.08096	9.3
101.09650	7.4
105.07043	5.7
107.08612	4.3
109.02920	3.0
109.06525	4.8
109.10165	79.1
113.09669	3.3
113.74492	2.0
117.07037	3.3
119.08598	3.4
121.10143	4.1
123.11709	69.0
127.03924	5.1
127.11169	5.1
131.08620	3.2
135.11795	2.8
137.13258	14.9
141.12798	2.7
143.08545	3.8
145.02832	2.3
145.10135	4.4
147.04424	3.8
147.08029	3.0
149.86685	2.2
159.11697	3.5
163.11234	5.1
173.09642	2.8
179.17966	100.0
180.18332	2.9
181.12215	2.5
183.02953	2.3
187.11229	5.4
197.19017	59.1
215.10677	2.7
215.18037	3.6
215.20067	47.0
229.87880	2.1
233.21115	22.1
240.11290	2.6
262.98038	2.2
295.06094	2.1
302.17505	8.7
334.20297	8.2
377.10281	5.3
378.22797	3.7
380.08975	2.6
395.11411	17.7
395.16174	4.3
396.24271	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	395.113
Annotation	Robustin
Peak:m/z	Relative Intensity
53.03957	1.1
55.01879	2.0
55.05519	4.1
57.03445	1.4
59.10522	0.4
67.05524	2.3
68.99805	1.1
69.03439	0.6
69.07077	5.1
71.05025	0.4
71.52391	0.5
79.05503	8.9
80.06284	0.7
81.03426	0.5
81.07055	1.7
83.04987	5.4
83.08627	0.5
89.06054	0.5
91.05486	1.8
92.78085	0.3
93.07075	0.8
95.04986	1.3
95.08603	1.1
97.06539	50.1
99.80264	0.4
105.07027	1.3
107.05031	0.4
107.18282	0.4
109.06517	0.3
112.01589	0.6
113.89694	0.4
115.05494	0.6
117.07018	0.5
119.04979	0.6
119.08566	0.7
121.06544	0.4
127.00282	0.8
127.03911	0.5
128.06197	0.7
129.07028	1.0
131.04959	0.7
131.08585	0.9
133.10190	0.5
139.00288	0.6
141.07013	1.7
142.07825	0.7
143.08586	0.6
144.05638	0.5
145.06543	0.4
145.10187	0.5
147.04427	3.0
152.06233	0.8
153.06978	2.5
155.04912	0.5
155.08539	1.6
157.06526	0.8
157.10124	0.9
158.03665	1.2
158.06070	0.3
158.07297	1.2
159.04401	0.7
159.08020	1.1
165.07014	2.6
166.07800	2.6
167.08568	2.8
168.00560	3.9
168.05704	0.8
169.01347	11.1
169.06483	3.1
169.10115	0.4
170.07292	0.6
171.04398	3.9
171.08038	1.0
173.06003	2.0
175.03885	0.4
178.07838	1.0
179.08566	2.1
181.06541	2.3
181.10124	1.1
182.07249	0.8
183.02919	4.0
183.08054	2.5
184.05174	2.5
184.08804	1.5
185.00806	0.6
185.05952	1.4
185.09608	0.6
186.01610	2.6
186.06702	0.6
187.07564	2.4
188.08342	5.6
189.07013	0.6
191.08537	0.7
193.06508	1.1
193.10179	0.4
194.07338	1.9
195.08052	4.5
195.11653	0.7
196.08900	0.5
197.06006	5.5
197.09653	1.8
198.06769	1.6
199.07527	3.8
200.08342	0.4
201.09087	0.6
203.08667	0.6
207.08081	2.5
208.08795	1.0
209.06203	0.8
209.09610	2.3
210.06741	1.8
211.07568	6.7
212.06471	0.7
212.08334	7.7
213.05510	0.5
213.09117	2.5
215.08707	0.4
219.08018	0.9
221.05962	1.0
221.09561	1.5
223.07637	4.1
223.11093	1.5
224.04616	0.7
224.08319	0.8
225.05492	0.8
225.09151	5.7
226.09740	0.5
227.06923	0.9
227.10645	1.6
231.03027	0.4
232.08870	0.5
233.09601	0.5
235.07506	2.0
235.11172	0.5
236.08336	0.6
237.05437	0.7
237.09157	1.9
238.09831	0.7
239.07079	2.0
239.10808	0.4
240.03957	0.4
241.08452	0.5
247.07477	0.5
249.09106	0.8
251.06989	1.3
251.10680	0.6
253.08604	3.9
255.06342	0.9
255.10133	1.3
257.04385	0.5
257.08047	0.7
261.09079	0.6
263.07217	0.8
263.10593	0.6
265.05023	0.9
265.08618	0.6
265.12213	1.5
266.13089	2.9
267.06424	1.2
267.10159	1.6
269.04462	0.8
269.08047	1.7
271.09641	1.2
277.08688	0.5
277.12292	0.7
279.06586	0.9
279.13809	1.1
280.07068	0.4
281.04572	1.0
281.08029	2.5
281.11365	2.5
282.05231	0.7
283.05978	0.4
284.14099	12.4
289.12192	0.7
291.06491	1.6
293.04340	1.1
293.11771	0.5
295.05969	1.8
295.09586	2.1
295.12860	0.5
297.03867	2.3
297.07156	0.7
298.04648	1.3
299.09171	2.5
303.13785	0.9
305.11478	0.6
307.06061	0.5
307.09613	0.6
307.13196	1.2
308.13852	0.9
309.03873	1.7
309.07510	4.1
309.11197	2.1
309.14673	0.7
310.04657	2.5
319.05954	2.1
321.03888	0.6
321.14877	3.4
322.04648	1.4
323.05923	1.7
323.09061	0.8
323.12750	1.7
323.16354	3.3
324.06293	0.6
325.03299	2.2
325.07101	0.9
325.14218	0.8
326.00504	0.7
326.04239	12.0
327.08759	0.8
331.13266	0.5
333.03763	1.2
333.07370	0.6
333.11163	0.5
333.15002	0.6
334.08331	0.6
335.08994	1.3
335.12680	1.1
337.03293	1.5
337.07016	4.0
338.04114	1.8
339.04889	1.7
341.06604	12.9
342.03491	1.0
347.05463	3.1
349.10687	0.8
349.14413	3.9
351.04858	0.8
351.08649	0.6
351.12155	3.8
351.15979	0.8
352.05524	1.0
353.06696	3.9
353.10217	1.2
353.13864	3.9
361.07001	0.7
362.07620	0.8
363.08499	0.5
365.06592	7.7
367.11609	1.0
367.15683	2.9
377.10269	0.7
377.13974	6.3
379.08191	2.4
380.08908	16.2
395.11066	100.0
395.15048	10.3
396.11432	2.2
404.52951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71866	0.5
53.03959	5.3
55.01880	10.9
55.05510	3.1
57.03439	4.7
57.07084	22.0
67.05504	1.6
69.07072	5.3
69.98357	2.2
70.73293	0.7
71.08640	18.9
80.01783	0.5
81.03425	14.3
81.07056	1.1
83.08622	2.4
85.10197	11.2
93.07030	0.7
95.04992	0.8
95.08598	2.4
97.02886	0.7
97.10163	1.8
99.04451	0.7
99.11726	1.4
106.02998	0.7
109.02892	35.0
109.10181	1.1
113.06004	1.3
113.13267	0.9
115.03949	7.7
123.04414	2.9
123.08108	0.6
125.09705	0.6
127.03931	100.0
141.05487	4.7
145.03552	0.6
155.07050	2.7
168.06671	1.3
169.08595	5.2
183.10197	8.7
197.11761	6.2
211.13329	5.6
225.14876	6.0
239.16429	7.1
253.18051	8.1
267.19562	8.1
270.08453	0.7
272.51172	0.5
281.21112	6.9
295.22757	6.3
298.31796	0.6
309.24329	5.4
323.25821	5.6
337.27435	5.3
351.28870	0.9
366.59888	0.7
376.25995	1.4
393.33679	32.5
393.38428	1.2
394.34055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03433	1.8
61.02929	2.6
67.52788	0.9
69.03426	6.1
69.48353	3.7
69.48760	1.8
70.06596	1.4
73.02930	2.1
77.25609	0.9
81.03419	3.0
82.06578	2.9
85.02434	1.5
85.02908	16.7
87.04454	2.1
87.61337	0.8
90.74660	0.9
91.03921	0.9
91.05489	6.5
92.51379	0.8
97.02905	5.3
98.97587	4.7
100.07618	6.7
101.31917	0.8
107.05015	1.1
109.02914	2.1
112.07613	0.9
116.98596	1.2
119.04961	21.0
119.95010	0.8
121.02877	1.7
121.06526	0.8
122.03673	1.4
124.37305	0.9
124.88321	0.8
127.03939	7.7
137.05984	100.0
138.06317	1.4
145.05005	2.5
147.04422	53.7
151.07565	1.9
155.01904	1.0
158.99690	1.2
163.07515	0.9
166.07240	4.5
167.07057	1.1
170.99434	0.8
179.07045	56.7
181.08586	1.0
196.43631	0.9
196.87114	0.9
197.08115	19.6
219.01788	1.6
288.09552	2.7
304.08109	2.0
376.15723	0.9
394.20724	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34214	5.8
54.42320	5.2
60.73228	5.2
62.28671	6.0
67.23635	5.6
71.50124	5.6
73.00500	5.8
76.95335	5.8
77.25608	5.6
81.65731	5.9
85.02879	15.2
97.02883	8.3
98.97596	8.1
101.00899	43.7
113.00896	7.8
119.01932	36.7
119.04942	7.9
121.02876	100.0
127.02448	11.4
127.03944	11.1
129.03909	5.1
131.01935	9.4
133.03477	15.0
143.01932	32.4
145.03497	44.2
145.04501	6.3
147.04431	20.4
155.01872	11.0
157.03514	11.1
161.02995	28.1
167.01950	24.1
169.03496	24.0
173.03062	12.4
185.02953	54.2
187.04613	22.1
189.02515	8.5
197.03027	6.0
199.04512	10.1
203.04062	56.8
215.04004	17.6
217.02089	7.7
217.05600	8.5
221.03053	8.1
231.03622	8.0
275.02554	24.4
275.06137	84.6
303.01941	9.4
305.03485	7.2
305.59149	6.1
377.06345	8.2
395.03732	11.6
395.08929	50.2
395.13681	7.3
407.86209	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1739
Annotation	Sparfloxacin
Peak:m/z	Relative Intensity
55.01875	0.5
55.05521	2.6
55.80555	0.3
56.67569	0.4
57.03447	0.5
58.88378	0.3
59.69016	0.3
59.75809	0.3
62.91213	0.3
69.03432	1.2
69.07074	0.4
70.06605	0.7
71.05000	0.7
71.52588	0.5
73.02930	2.0
73.75124	0.3
81.03437	1.0
81.07066	0.6
83.08643	1.9
84.04513	0.6
84.08150	0.9
85.02927	1.9
85.06586	0.3
87.04486	0.4
91.05481	0.6
91.64071	0.3
95.04980	0.3
97.02926	1.5
99.04507	0.3
109.02901	0.4
109.06524	0.4
111.04414	0.4
115.03963	1.0
115.78122	0.3
119.04943	0.4
121.03022	0.4
121.04018	0.3
123.04435	0.3
127.03938	1.4
127.67954	0.3
133.04997	2.2
137.06015	0.6
147.04436	0.9
152.23560	0.4
168.89113	0.4
195.12093	0.4
212.12959	0.3
213.13277	0.5
230.13898	0.8
231.04953	0.6
231.12115	10.1
231.14250	1.2
247.04475	0.3
259.08524	0.3
303.08615	0.3
349.57452	0.3
375.11957	0.5
393.17389	100.0
394.17889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05518	7.5
57.03417	1.5
57.07077	3.8
61.02915	0.8
67.05512	7.3
68.05038	1.5
69.03426	1.8
69.07076	11.2
69.33896	7.2
71.04984	2.2
79.05502	8.2
81.07069	28.7
83.08623	9.0
85.02903	6.6
85.06558	8.7
91.05486	2.5
93.07052	14.3
95.08617	42.2
97.02892	1.1
97.06548	1.2
97.10184	6.4
99.08107	4.6
105.07054	2.6
107.08610	27.4
109.02904	1.1
109.10169	19.0
111.08091	2.3
111.11702	1.7
119.08606	1.2
121.10154	41.7
123.11693	6.6
125.09662	1.2
127.03920	1.0
129.84793	0.8
134.24252	0.9
135.11713	11.3
137.05956	1.1
137.13251	5.9
139.11179	3.4
140.03400	1.1
143.86972	0.8
147.04482	1.1
149.04634	0.9
149.13269	5.1
151.14778	1.8
165.16444	4.8
177.16406	96.7
178.16743	1.9
183.17479	5.9
195.17467	45.3
197.11722	1.1
201.06538	2.0
202.07280	1.7
203.08191	1.5
204.08797	6.4
213.18538	16.5
216.08826	100.0
217.09608	2.9
218.10457	5.5
225.06491	9.2
226.07173	2.9
227.08084	1.5
228.08929	1.3
230.10417	9.0
231.19576	32.8
240.08827	54.5
241.09514	3.9
246.09833	7.2
258.09921	2.1
268.08301	6.3
272.11435	3.9
283.09317	1.4
300.10928	54.2
301.11157	1.0
311.08936	1.5
315.12259	1.1
333.13150	3.3
343.11496	2.6
361.12558	6.1
375.14069	5.1
393.15222	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01881	3.1
55.05511	17.1
55.05933	2.3
57.07073	9.8
60.90186	2.3
65.03927	4.6
67.05512	32.4
69.03436	4.0
69.07085	16.4
70.96282	3.3
71.04990	3.8
71.08620	2.9
71.23508	2.2
76.57522	2.5
79.05500	43.5
81.07063	55.4
83.04982	4.7
83.08643	4.7
84.44719	2.2
85.06538	2.5
85.10222	3.0
88.76064	2.1
91.05492	56.6
93.07053	81.7
95.04980	55.1
95.08619	54.9
95.89706	2.0
97.06534	11.5
98.98478	5.3
103.05494	4.1
105.04541	2.7
105.07041	100.0
107.07884	2.7
107.08608	48.9
109.06528	17.1
109.10168	27.7
115.05453	3.1
117.07025	21.2
119.08589	87.9
121.06532	23.3
121.10152	48.7
123.08071	5.6
123.11723	10.7
128.06229	7.6
129.07004	18.0
130.07784	11.0
131.08589	40.8
133.06509	3.6
133.10136	50.8
135.08061	7.3
135.11717	19.8
137.09599	2.7
141.07022	6.5
142.07803	16.6
143.08571	42.0
144.09380	9.9
145.06476	2.6
145.10135	62.4
147.08041	5.6
147.11707	25.9
149.09657	3.8
149.13326	2.9
154.07767	2.9
155.01067	7.7
155.08585	11.2
156.09369	12.0
157.10139	51.0
158.10910	5.3
159.08029	5.0
159.11705	43.5
161.09619	19.0
161.13292	7.4
163.11176	5.5
167.08606	7.1
168.09305	5.1
169.10112	21.9
170.10910	7.0
171.11684	27.1
172.12511	3.0
173.09665	5.4
173.13292	22.6
175.11211	13.8
175.14838	18.0
179.08607	7.2
181.10114	12.3
182.03737	2.9
182.10899	5.9
183.11729	19.9
184.12505	3.7
185.13249	14.2
186.13756	2.2
187.11188	9.1
187.14796	12.2
192.09302	3.8
193.10162	8.5
194.03088	2.4
194.10945	5.4
195.11681	12.9
196.12459	4.4
197.13295	16.7
199.14841	7.7
201.12657	3.5
201.16406	9.2
206.10927	4.1
207.11693	4.9
209.13283	14.2
210.14090	2.6
211.14847	11.5
213.16360	5.1
221.13248	6.8
223.14804	7.7
225.16389	6.1
227.14320	3.0
235.14822	2.7
237.16249	4.3
239.17896	2.5
241.15807	2.5
251.17896	2.5
253.15862	8.0
253.19655	4.4
255.20990	2.0
257.64020	2.7
265.19498	2.9
266.20184	3.4
267.21198	2.3
271.20773	2.4
279.21146	2.2
281.18988	3.8
283.20786	2.6
295.20538	2.6
304.26401	2.9
375.26794	6.4
378.80573	2.4
385.12183	2.2
393.27652	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	393.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.2
57.03439	0.5
58.99848	1.1
59.04988	0.5
67.28309	0.5
68.98287	1.1
69.03425	2.3
70.06588	0.7
70.24632	1.9
70.99851	0.9
77.00931	0.6
81.03423	0.9
82.06554	0.8
82.99867	1.4
85.01418	0.8
85.02917	2.8
86.06073	1.6
86.99361	1.1
87.04459	0.7
89.00886	0.9
92.59487	0.5
94.99882	1.3
95.24790	0.4
96.02938	0.5
97.01400	2.6
97.02920	2.6
98.97592	2.1
99.02923	1.0
100.00115	0.5
100.07620	3.3
100.39886	0.5
101.00886	13.9
103.02459	0.9
109.01422	0.5
109.02863	0.7
109.50964	0.4
110.97559	0.7
113.00870	9.8
115.02435	11.1
115.03894	0.6
117.03994	7.0
119.01933	10.6
119.04971	0.9
120.25488	0.5
125.00915	1.1
127.02443	4.5
127.03940	1.8
128.98605	0.6
129.00363	1.1
129.03979	1.4
131.01917	18.5
133.01816	0.5
133.03482	9.9
133.04976	0.7
135.05035	5.2
137.00835	4.3
137.02992	0.8
137.05974	0.9
138.01645	1.2
139.02409	1.8
141.03938	3.3
143.01901	16.2
145.01721	0.6
145.03471	16.1
146.03575	0.6
146.08101	1.1
147.01411	2.0
147.03384	0.5
147.04419	1.8
148.03860	0.9
149.02991	1.1
151.04506	0.6
153.03973	1.9
155.01898	31.5
155.05527	1.1
156.02727	3.6
157.03471	8.3
157.04625	0.9
159.05040	30.0
161.02960	9.1
161.06636	1.3
163.04559	3.9
167.01891	1.3
169.03455	1.9
171.05038	36.3
172.05327	0.7
173.01419	1.0
173.02975	20.8
173.06622	7.5
174.03052	0.6
175.03212	0.5
175.04527	3.4
177.02547	0.5
177.06081	7.7
181.03416	1.0
183.05042	2.8
185.02954	6.4
185.06558	4.0
187.04480	2.5
189.06085	18.3
191.04012	1.4
191.07664	2.3
195.05077	1.6
197.02994	1.0
199.02795	0.5
199.04536	1.3
201.00818	0.7
201.02470	0.8
201.06105	13.4
203.02257	0.7
203.04010	18.0
203.07654	2.8
204.04338	0.6
205.05537	2.2
207.06810	0.5
208.04675	0.5
211.04544	1.4
213.00980	0.5
213.06107	9.6
215.04045	2.1
217.03683	0.6
217.05667	1.4
219.01869	1.1
219.07098	5.4
221.05075	39.2
222.05307	1.2
223.04617	1.1
227.04059	0.6
229.05727	0.6
231.07207	3.4
231.13460	1.3
232.47185	0.5
233.05174	0.7
235.06622	1.9
237.02859	0.9
239.03998	1.6
239.06212	0.5
241.05597	1.3
243.07172	5.4
244.06789	0.6
245.05003	0.8
249.08270	1.1
253.07681	2.5
255.07150	0.9
259.06796	4.4
261.08206	56.4
262.08401	1.7
273.08292	0.7
275.06177	1.0
277.07889	4.2
279.09265	100.0
280.09540	3.2
287.06308	0.5
295.06924	0.9
299.06110	2.1
302.10876	1.8
307.08890	0.9
318.09714	1.1
333.10464	3.7
345.10324	8.2
357.10339	4.8
361.06238	1.1
363.11102	0.6
365.09229	1.4
375.11389	4.2
379.07321	0.5
393.12836	97.4
394.13162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56613	1.6
53.03941	2.9
55.01878	3.6
56.96568	2.0
57.03442	2.3
57.07082	1.8
61.02947	1.7
65.55880	1.6
68.47021	1.6
69.03429	10.3
69.07091	1.6
70.06580	5.4
70.96339	4.3
71.04996	2.6
72.08156	3.8
73.02920	3.1
78.35939	1.7
80.68562	1.8
81.03417	7.8
81.07089	2.1
84.08153	2.1
85.02915	22.7
86.03233	1.9
86.09690	2.5
86.94150	1.6
87.00826	8.7
91.05474	3.2
93.07053	2.2
93.81341	1.6
95.04966	2.9
97.02911	17.5
98.97601	3.8
99.04443	5.3
105.01888	7.3
107.08617	2.5
109.02890	7.3
109.06511	1.8
116.07095	1.9
119.08578	2.1
126.96912	1.7
127.03930	100.0
141.35075	1.6
145.04967	13.5
149.02365	4.3
150.02603	1.8
158.99684	1.7
159.02917	5.8
167.07053	11.5
195.06528	1.8
210.07056	1.7
213.07590	5.6
213.11215	2.4
230.13943	3.2
231.05016	1.7
259.08386	2.4
264.88498	2.0
265.13712	1.7
392.11426	2.2
392.16135	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
60.02269	1.1
61.02924	1.4
67.05509	2.2
69.03429	3.8
69.07073	1.4
69.82005	0.8
69.99496	3.1
69.99925	1.8
79.76352	1.1
81.03409	3.0
82.06577	1.0
85.02912	9.4
87.04450	1.1
91.05450	1.0
93.07036	1.3
94.06574	2.8
94.32797	0.9
95.05009	1.8
95.08632	1.5
97.02871	2.0
98.06068	0.9
98.97590	1.2
99.04495	0.9
106.06530	1.1
107.08572	1.4
109.02853	1.5
109.06537	1.9
110.06055	3.7
120.08138	1.9
121.06513	1.0
122.06030	7.9
124.07620	3.2
127.03925	2.5
131.08595	1.3
134.09680	1.2
135.08127	1.3
136.07574	2.8
136.11220	1.7
138.09151	4.2
139.07503	2.3
140.07076	15.0
145.04980	1.2
147.04507	1.1
148.11240	2.5
149.02354	3.2
149.09642	2.8
150.02689	1.1
150.09158	1.4
153.05499	1.4
154.08656	15.4
154.12317	1.5
156.10136	1.1
163.03874	0.8
166.12224	5.1
167.10696	2.8
168.10216	1.5
176.10730	4.9
182.99600	1.3
194.11772	15.5
195.06651	1.4
195.10199	2.0
212.12845	9.6
230.13895	100.0
231.14209	1.8
258.07529	1.4
392.09930	2.6
392.19025	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	392.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87884	0.6
55.05516	6.1
57.07069	1.3
67.05497	2.7
69.03416	1.3
69.07071	10.1
71.04965	2.1
71.51855	1.2
79.05496	6.1
81.03416	1.3
81.07065	11.6
83.08626	5.7
84.40699	0.7
85.02900	2.3
86.09695	1.0
91.05489	2.5
93.07053	10.5
95.08611	27.6
97.02879	0.9
97.06538	4.4
97.10162	3.1
99.08097	3.0
105.07034	2.8
107.08598	23.9
109.02853	1.2
109.06487	0.9
109.10175	6.8
113.09645	2.1
119.08600	1.0
121.10150	33.2
123.04466	0.8
125.09626	1.6
127.03883	1.5
133.10161	1.1
135.11705	7.3
137.05980	1.6
137.13266	3.3
139.11157	0.8
149.02385	2.1
149.13243	2.9
150.02698	1.4
152.10870	0.8
163.03990	1.6
167.10765	0.9
173.02356	1.5
177.16396	100.0
178.16728	1.2
180.08578	1.0
183.06508	0.9
184.06909	0.8
195.17447	7.4
215.06995	1.3
230.11946	1.1
259.09650	3.3
277.33511	0.8
392.14172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84091	5.0
55.05498	20.9
55.36412	5.5
57.00531	5.4
57.03444	7.2
57.07069	21.6
60.95943	6.0
67.05511	49.3
69.07073	44.4
71.04984	18.6
71.08614	10.8
71.52633	7.4
78.72266	5.8
79.05492	8.3
81.07063	71.0
81.56773	5.4
83.08641	27.7
84.67815	4.6
85.06538	16.4
89.06033	30.2
93.07069	34.9
95.08618	93.3
97.06537	5.1
97.10147	11.0
99.08093	14.0
105.07017	9.3
107.08616	40.9
109.10165	100.0
111.11702	15.6
116.39703	5.3
119.08595	12.4
121.10156	43.3
123.11713	46.3
125.03986	5.5
127.48170	5.6
132.57802	5.7
133.08607	10.0
133.10144	11.6
135.11687	24.2
137.13263	26.9
146.72856	5.8
149.02361	52.0
149.13272	22.3
151.14806	11.2
163.14842	25.9
177.16437	51.1
181.15811	6.7
186.24335	5.4
191.17963	22.8
193.19470	9.5
195.12262	17.0
195.17453	14.8
203.17976	10.1
205.19553	14.2
213.18539	8.3
245.22592	5.9
263.23602	5.2
311.07022	6.3
373.34857	29.1
391.19189	13.2
391.35785	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99957	0.4
56.05037	0.6
56.96561	1.6
57.07078	0.8
61.02897	0.5
69.03448	1.1
69.95133	1.8
70.06595	1.7
71.08624	1.0
73.02921	0.7
81.03388	0.5
82.06566	0.9
83.50520	0.5
84.04517	1.0
84.08149	0.9
85.02912	2.1
86.06078	0.6
86.09647	0.5
91.05500	0.9
97.02916	1.1
98.97581	1.1
100.07623	0.6
103.05453	0.5
104.07137	0.5
105.03400	0.8
116.07100	1.5
119.04933	0.9
120.08140	4.7
121.02876	1.6
122.06054	0.8
123.04425	1.1
127.03940	3.0
137.06017	0.7
138.05516	1.4
141.00047	1.5
144.10236	0.6
145.28615	0.4
146.08145	0.7
147.04436	2.3
148.03941	0.6
149.02374	4.2
149.04718	1.1
149.05850	0.6
154.06572	0.7
154.12312	0.6
166.05144	0.5
166.06462	0.9
166.08664	2.1
167.03412	0.6
168.08116	1.3
174.05478	0.9
182.06065	0.9
183.06729	0.7
184.04012	4.4
184.07574	0.8
194.97514	0.5
196.07648	1.6
198.05554	1.3
199.06297	1.9
200.07091	2.4
201.00700	0.5
202.05025	2.2
210.05597	1.1
212.07140	7.8
213.00674	0.7
214.08687	1.3
224.07132	1.8
226.05029	5.7
227.10312	1.4
228.06609	5.2
230.04816	0.8
230.13831	3.0
231.01894	0.9
231.05165	0.8
240.06635	0.9
242.08133	5.6
244.06114	3.2
252.06638	1.1
256.06070	16.1
257.06729	0.7
258.07657	59.9
259.08279	2.0
270.07648	4.0
284.09216	1.1
288.05710	0.9
288.08704	10.7
302.10272	33.3
304.07922	1.0
330.09662	5.3
332.07709	14.8
346.09357	2.9
356.07703	0.7
374.08685	1.3
387.06143	0.7
392.09799	100.0
393.09860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36818	0.7
51.27959	0.7
53.15195	0.7
53.33057	0.7
56.55921	0.8
57.07078	1.4
67.05498	0.9
69.23311	2.3
69.23728	5.0
71.08617	2.3
81.07037	1.2
93.07038	1.5
95.08552	1.1
98.20769	1.0
103.53027	0.8
119.08571	0.9
121.06532	0.9
149.02345	16.3
167.03424	2.0
329.32401	1.1
350.17242	0.9
368.18268	1.0
389.13144	0.8
390.35965	0.9
390.41281	0.8
391.24551	100.0
391.35822	2.7
392.24930	1.5
409.66446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.05527	11.3
55.93352	2.0
57.07083	9.2
57.86745	2.6
61.02924	2.2
65.03963	4.3
65.17052	1.8
67.05527	13.0
69.03428	3.8
69.07079	7.0
69.67627	11.6
71.08641	5.4
79.05507	17.9
81.07069	29.4
83.08623	3.1
85.06565	2.5
85.76785	2.6
91.05499	35.5
93.07066	35.4
95.04977	32.1
95.08628	16.7
97.06562	6.0
105.04533	2.4
105.07044	56.4
107.04942	2.8
107.08625	21.8
109.06547	6.4
109.10205	6.2
115.05508	4.3
117.07041	9.7
119.08594	39.8
119.09360	3.1
121.02890	3.4
121.06559	9.6
121.10143	16.4
123.08070	3.0
123.11731	3.1
128.06274	7.4
129.07051	10.7
130.07834	4.9
131.08598	22.3
133.10129	16.5
135.08073	3.8
135.11728	2.2
141.07019	4.3
142.07848	9.4
143.08589	31.7
144.09395	3.3
145.10150	40.3
147.08112	4.3
147.11758	9.8
149.02376	46.0
149.09683	5.1
153.07092	2.6
154.07829	3.1
155.08568	12.7
156.09384	12.6
157.10144	31.0
158.10948	2.9
159.08095	4.2
159.11728	17.6
161.09715	5.5
165.07115	6.1
167.03493	4.2
167.08698	6.6
168.09390	4.9
169.10147	22.7
170.10916	3.2
171.08229	3.0
171.11748	14.2
173.09735	8.2
173.13341	10.1
175.11284	3.3
178.07780	2.6
179.08536	11.0
181.10124	13.5
182.10970	5.5
183.11696	14.3
184.12527	4.1
185.09753	4.4
185.13319	7.2
187.14952	3.3
191.14445	5.5
192.09424	4.4
193.10156	15.9
194.11020	9.2
195.11742	14.9
196.12540	3.8
197.13254	17.0
199.11320	6.5
199.14972	7.0
201.12811	2.9
205.10197	3.3
206.11038	7.4
207.11746	14.0
208.12537	5.9
209.13280	13.2
211.11304	4.0
211.14964	8.0
213.12886	4.4
213.16454	3.7
215.14412	3.3
217.10243	3.6
218.10966	2.4
219.11821	6.9
220.12607	6.4
221.13303	13.4
223.11201	2.8
223.14854	11.3
225.12982	2.8
225.16469	2.7
227.14374	2.8
231.11784	3.0
232.12657	5.9
233.13364	8.0
233.15390	3.8
234.14095	4.9
235.14960	7.6
237.12776	2.8
237.16563	3.8
239.14482	3.6
241.16010	2.5
243.11804	2.5
244.12595	2.5
245.13486	4.4
246.14035	2.7
247.15036	5.2
249.16499	10.6
251.14464	6.0
251.17986	4.0
260.15662	2.7
261.16589	3.5
263.18256	6.7
267.17584	3.5
269.19098	2.6
273.16458	3.6
275.18036	3.4
279.17581	4.1
281.19119	3.5
282.19980	8.1
289.19711	3.4
291.17746	2.5
293.19189	5.3
295.20789	7.3
297.18698	5.0
299.17847	2.7
317.19186	2.8
335.20081	4.7
363.27145	3.4
373.25186	16.3
391.26334	100.0
391.36371	4.6
392.26718	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51755	1.4
53.03932	3.9
55.01876	8.5
55.05523	16.6
55.38253	1.3
57.03432	4.3
57.07082	25.6
59.05000	3.2
67.05495	4.2
69.07076	32.7
69.75537	4.7
69.75941	2.5
71.08639	20.1
72.03694	1.3
76.00295	1.5
81.03439	10.4
81.07063	8.2
82.98666	1.3
83.08626	21.6
84.85892	1.3
85.10183	10.7
89.06046	1.5
93.07034	2.6
95.08614	6.2
97.10183	10.9
99.04510	1.6
103.03934	1.9
105.07022	3.2
109.02892	34.6
109.10135	5.7
111.11726	8.1
115.03925	9.5
121.10127	2.4
122.59274	1.3
123.04464	3.2
123.08086	1.9
123.11697	2.5
125.13280	5.1
127.03928	100.0
131.08530	1.7
139.14799	1.9
141.05458	8.7
149.02357	14.3
149.09616	2.0
151.11217	1.5
155.07068	2.4
162.66098	1.3
169.08578	6.0
183.10170	16.8
183.11658	2.2
189.74344	1.4
195.10217	6.0
197.11760	7.9
209.11728	3.5
211.13327	4.2
216.26991	1.5
223.13284	2.9
225.14908	5.0
237.15013	3.8
239.16483	5.6
251.16475	3.9
253.18016	7.2
265.18033	8.9
267.19604	3.4
279.19571	4.8
281.21109	4.6
293.21167	2.4
295.22708	3.3
307.22736	2.1
309.24207	6.1
321.24295	3.2
335.25793	2.6
386.99768	1.7
391.32092	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.05507	11.4
57.03430	5.9
57.07051	8.2
59.75893	3.9
67.05512	22.7
69.03435	19.5
69.07074	19.6
71.04996	8.3
71.08639	5.0
71.36125	6.7
73.02904	4.6
79.05499	16.0
81.03415	15.2
81.07051	37.8
83.04986	6.0
83.08622	10.4
85.02901	33.2
85.06554	21.1
87.04516	3.8
91.05497	17.6
92.03725	3.9
93.07049	43.5
95.04959	8.7
95.08611	48.0
95.90513	3.7
97.02899	8.3
97.06522	5.4
99.04425	6.5
99.05574	6.9
99.08092	40.2
105.07039	31.6
107.08614	59.5
109.02882	12.1
109.06535	7.2
109.10165	38.1
111.05540	4.3
111.08088	10.0
119.08587	64.1
121.10151	22.6
123.07992	4.6
123.11718	14.1
125.09603	4.8
127.03905	11.0
131.08525	8.8
133.10129	74.5
135.11688	44.2
136.11183	6.9
137.09615	15.2
145.10130	5.1
147.11671	16.8
149.02361	19.0
149.13258	7.8
159.11655	4.6
161.13304	4.7
163.14835	95.6
167.03410	4.1
173.13274	7.3
175.14845	82.8
179.11815	25.2
181.15891	18.0
183.13684	4.0
193.15909	62.3
197.12880	100.0
199.16946	19.7
200.08124	4.7
209.15448	9.4
211.16960	57.7
215.13953	13.0
225.07785	4.4
229.18036	42.8
255.11226	6.5
256.11902	5.2
257.10397	35.6
257.14960	7.2
268.09656	6.3
293.98257	4.1
294.68503	4.8
301.11862	16.1
303.13385	9.9
305.15018	8.5
319.13004	6.3
323.15982	13.9
333.18927	12.0
341.17102	15.5
355.13016	5.9
373.13708	5.1
391.14999	33.2
391.20142	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2326
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.03935	4.6
55.01859	4.1
55.05498	7.6
57.03435	8.9
57.03672	1.7
57.07073	2.7
59.04983	2.3
61.02933	11.8
63.15615	1.5
64.69375	1.4
65.03934	1.8
67.05231	1.5
67.05508	16.1
69.03083	2.4
69.03430	31.0
69.07069	14.5
69.90102	7.7
71.04990	4.4
73.02885	4.2
79.05492	18.4
81.03421	14.1
81.07059	39.6
83.04976	7.1
83.08611	4.1
85.02906	100.0
85.06538	3.8
87.04448	4.6
91.03951	4.9
91.05479	17.1
93.07044	76.0
93.78647	1.5
95.04951	13.1
95.08604	29.9
97.02898	27.2
97.06500	4.7
97.10169	1.8
99.04463	4.7
99.08094	3.9
105.06384	2.9
105.07034	26.3
107.08595	56.3
109.02881	11.5
109.06512	7.3
109.10153	27.8
111.08083	17.0
119.08587	40.1
121.10142	69.0
123.08060	5.3
123.11713	33.6
125.09612	2.3
127.03928	20.9
133.10127	45.1
135.11685	18.9
137.05917	1.9
137.09607	6.1
139.11201	15.5
145.04961	30.6
147.11707	7.8
149.02380	3.2
149.09598	2.1
149.13255	14.5
151.11182	100.0
153.12762	2.3
155.10641	8.5
163.06029	5.3
163.14783	7.2
167.10643	3.3
167.14351	4.6
169.12242	95.8
175.14830	55.2
175.16028	0.9
187.13297	2.0
193.15883	50.8
209.63747	1.5
211.16937	14.3
216.10027	1.5
229.17978	6.7
288.37802	1.8
295.37134	1.6
303.13458	1.7
331.17264	7.9
355.17712	2.5
355.59918	1.5
373.22305	12.5
391.14932	2.2
391.23285	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	391.2329
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
51.46704	1.1
53.03942	2.5
55.05510	5.4
55.37379	1.3
55.37920	1.3
56.83878	1.2
57.03437	4.9
61.02931	3.8
67.05513	8.4
69.03438	17.5
69.07070	4.3
69.40496	3.1
69.40910	5.9
71.04993	5.5
71.08659	1.5
79.05494	6.9
81.03417	5.2
81.07066	20.9
83.05011	1.7
83.08604	5.4
83.82810	1.3
85.02913	42.4
91.03981	2.0
91.05489	9.1
93.07053	25.7
95.04958	8.1
95.08604	12.3
97.02908	9.5
98.21547	2.3
99.04475	2.3
105.07043	11.6
107.08607	28.5
109.02902	3.2
109.06521	11.2
109.10175	11.2
111.08116	1.8
119.08587	14.7
121.10158	15.5
123.08106	3.8
123.11709	16.3
125.09643	2.0
127.03926	8.0
133.10156	23.9
133.58290	1.2
135.08025	1.4
135.11705	7.7
137.09631	2.4
145.04979	10.5
147.11678	3.4
149.02368	4.7
149.13293	5.8
151.11195	100.0
163.14864	5.2
167.14369	1.9
169.12260	82.8
175.14844	21.8
186.95607	1.2
193.15898	26.5
209.15488	1.5
211.16966	16.9
220.60527	1.4
229.18015	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25560	0.9
53.03943	1.0
55.01870	2.7
57.03442	2.3
59.63224	0.7
61.02928	2.0
61.56518	0.8
63.25999	0.9
69.03445	5.4
69.07081	1.4
69.54150	6.0
69.75422	0.9
70.06606	2.6
72.08180	1.9
73.02898	1.3
79.05517	5.8
81.03419	2.4
81.07072	1.4
82.06605	10.8
85.02916	16.9
86.09718	1.6
87.04470	1.4
90.04716	0.9
91.05498	6.0
93.07068	2.2
95.04998	1.4
95.08659	0.8
96.10799	0.9
97.02905	3.7
97.06573	1.0
98.20794	2.0
99.04496	1.6
100.07639	42.4
103.05489	6.7
105.03395	1.6
105.07050	48.8
106.07423	1.2
107.04961	2.6
107.08647	1.7
109.06518	2.4
115.05468	11.6
116.07033	1.0
118.04167	3.3
119.04989	5.5
121.06519	1.2
121.10194	3.0
122.10482	3.1
123.08058	2.1
123.11698	1.5
124.07601	3.8
127.03948	3.2
131.04970	1.6
131.08461	1.1
133.05492	2.0
133.06512	42.6
133.10086	1.3
137.02345	1.2
137.06010	2.0
138.09157	2.2
143.06067	5.0
145.04974	2.9
149.06047	2.9
151.07570	4.2
153.05583	2.6
153.09137	2.2
161.06009	100.0
167.01660	1.4
167.07118	2.0
168.07890	2.9
169.92642	0.9
177.05481	2.6
179.07117	1.5
180.08704	3.2
180.14696	1.1
181.08653	1.0
187.92984	1.0
191.14371	1.4
192.14738	2.1
193.08640	75.9
196.07277	1.5
209.15417	1.8
210.15730	1.7
211.09689	16.2
212.09993	1.0
227.16412	1.5
228.12538	4.9
228.16750	1.4
390.18207	49.1
391.15527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
61.02918	0.8
67.05480	2.0
68.08303	0.9
69.03426	1.6
69.07066	2.8
69.19740	6.9
69.20143	1.8
71.05005	1.4
79.05496	1.3
81.07074	7.9
83.08612	1.1
85.02915	5.5
89.06101	0.8
91.05467	2.8
93.07041	4.7
94.22499	0.9
95.04994	1.3
95.08607	11.1
97.02903	1.7
97.06461	0.8
97.52509	0.9
98.20779	1.5
99.08096	5.3
105.07039	7.1
107.08591	9.6
109.10158	2.3
113.09660	2.0
119.08591	46.0
121.10165	1.6
123.11722	2.6
131.08531	1.0
133.10139	75.7
135.11700	17.8
138.40303	0.9
145.04970	1.2
147.11639	1.6
175.14836	100.0
176.15105	1.5
193.15891	21.0
211.16949	47.1
260.32813	0.9
346.16885	1.3
372.14868	1.0
395.95602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51055	0.6
55.05494	1.7
57.07072	0.6
67.05534	0.6
69.07062	2.6
71.52367	0.9
75.36596	0.7
79.05486	1.7
81.07062	9.4
83.08594	0.9
85.02892	0.8
91.05485	4.4
93.07044	3.4
95.08611	9.6
97.06538	1.8
97.26537	0.6
98.06850	0.9
100.11234	1.2
105.07037	10.8
107.08609	5.6
109.10152	0.9
110.07171	0.7
117.07010	0.9
119.08588	28.7
121.10164	0.7
123.07941	0.6
123.11665	0.8
124.12061	0.7
131.04877	0.6
131.08549	1.0
133.10143	19.2
135.07990	0.7
135.11693	1.7
137.05969	1.5
146.10892	0.8
147.11734	3.0
175.14839	100.0
176.15198	2.3
182.15469	0.8
183.06531	1.4
193.15881	1.7
204.98120	0.6
300.16162	0.8
317.75082	0.7
333.72812	0.6
346.16577	3.2
372.14801	0.8
412.34357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51055	0.6
55.05494	1.7
57.07072	0.6
67.05534	0.6
69.07062	2.6
71.52367	0.9
75.36596	0.7
79.05486	1.7
81.07062	9.4
83.08594	0.9
85.02892	0.8
91.05485	4.4
93.07044	3.4
95.08611	9.6
97.06538	1.8
97.26537	0.6
98.06850	0.9
100.11234	1.2
105.07037	10.8
107.08609	5.6
109.10152	0.9
110.07171	0.7
117.07010	0.9
119.08588	28.7
121.10164	0.7
123.07941	0.6
123.11665	0.8
124.12061	0.7
131.04877	0.6
131.08549	1.0
133.10143	19.2
135.07990	0.7
135.11693	1.7
137.05969	1.5
146.10892	0.8
147.11734	3.0
175.14839	100.0
176.15198	2.3
182.15469	0.8
183.06531	1.4
193.15881	1.7
204.98120	0.6
300.16162	0.8
317.75082	0.7
333.72812	0.6
346.16577	3.2
372.14801	0.8
412.34357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.30922	0.7
55.01867	1.3
55.05505	1.0
55.33605	0.7
57.03434	1.1
57.07053	1.1
59.04984	0.8
59.75551	0.6
60.20094	0.7
61.02912	1.4
67.05488	1.9
69.03452	3.6
69.07062	1.9
71.04997	49.7
71.52509	1.1
79.05473	1.5
81.03404	2.1
81.07060	8.1
85.02439	0.9
85.02909	12.0
87.08082	0.8
91.03977	0.7
91.05464	1.8
93.07034	2.2
95.05003	1.1
95.08602	3.1
95.39438	0.6
96.08950	0.8
97.02914	3.8
97.06538	1.6
99.04449	1.0
105.07045	3.8
107.08598	4.3
109.02899	1.1
109.06514	1.7
109.10130	1.2
110.77996	0.7
119.08586	2.9
121.10149	26.9
122.10542	0.8
123.08099	1.5
123.11714	32.1
127.03907	2.9
133.10133	3.4
135.11659	1.2
137.09621	0.9
145.04974	3.1
147.11720	1.2
149.13226	2.3
151.11194	4.9
165.12744	5.6
175.14838	6.1
177.05473	1.0
193.15894	100.0
194.16106	1.2
211.16945	47.8
229.18005	2.1
332.00024	1.1
346.16406	3.2
373.03818	5.5
391.08698	0.8
391.13928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
57.03431	1.9
57.62796	1.1
61.02925	3.2
68.25323	1.0
68.90847	1.1
69.03444	6.3
69.54208	2.9
69.54616	5.1
70.06582	1.1
71.04997	1.7
72.08154	2.6
79.05490	6.9
81.03431	2.5
81.07049	1.7
82.06586	18.2
84.61241	1.2
85.02919	16.2
85.06535	1.4
86.09713	1.8
89.69825	1.2
90.27070	1.1
91.05470	5.5
93.07056	2.2
95.04949	1.8
95.08601	2.1
96.05185	1.4
97.02888	5.2
97.06493	1.3
98.21199	3.8
100.07623	57.5
103.05441	5.9
105.07042	52.2
107.04942	3.2
107.08593	1.5
109.02897	1.7
109.06504	2.5
110.75435	1.1
115.05489	10.0
118.04206	5.5
119.04926	7.1
119.08521	1.4
121.06541	1.9
121.10156	4.3
122.10481	2.5
123.08108	1.4
124.07602	3.6
127.03942	2.7
131.04915	2.8
132.05768	1.2
132.09013	1.3
133.06503	49.3
134.10489	1.9
137.26967	1.2
143.06030	5.4
145.05000	3.0
147.04448	1.6
149.05994	3.3
151.07555	3.8
153.05511	2.3
161.05994	100.0
166.53119	1.1
167.07120	3.0
168.07808	2.3
174.13699	1.8
179.07036	1.8
180.08687	2.6
184.95789	1.3
191.14264	2.0
192.14613	2.9
193.08617	70.6
196.07253	2.4
210.15750	3.1
211.09647	16.4
223.24965	1.3
228.12479	5.0
228.16829	1.5
289.00519	1.2
354.26846	1.2
390.12979	2.3
390.18195	40.1
391.15482	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19053	1.0
55.01879	1.3
61.02923	3.1
61.57343	0.9
63.27869	1.0
67.05511	1.9
69.03446	7.0
69.07072	2.5
70.06593	2.6
70.56295	0.9
71.04987	1.9
71.50134	1.0
71.50544	1.1
72.14837	0.9
73.38361	1.1
76.19314	0.9
78.03484	1.0
79.05495	2.4
81.03425	2.8
81.07043	1.9
82.06587	1.7
83.04998	1.2
84.04497	1.3
84.08140	2.0
85.02922	14.8
86.09711	2.0
87.04471	3.5
91.05504	1.1
94.06588	5.5
95.04958	1.3
96.04514	1.1
96.08140	2.9
97.02905	5.1
98.09715	7.0
98.97539	1.2
99.04482	1.4
106.02923	3.5
107.04945	1.6
108.08130	1.2
109.02916	2.0
110.06040	5.6
112.07638	1.8
113.06013	0.9
121.06535	2.4
122.06033	30.0
123.04409	2.2
123.08025	1.2
124.03978	5.6
124.07603	15.1
127.03936	4.6
136.07576	2.6
137.05956	1.4
138.09137	2.0
138.17522	1.0
139.07550	2.3
140.07076	58.4
142.08623	8.6
144.10176	3.0
145.02963	1.1
145.04958	1.4
147.04439	2.3
147.08051	1.2
151.03874	1.6
154.08662	10.5
161.05989	2.3
163.03900	3.7
164.10713	3.7
165.09161	1.4
167.07021	1.3
177.05495	2.6
182.11819	1.8
191.07054	1.2
192.10255	2.8
192.13402	1.0
193.08644	1.2
209.02708	1.3
210.11275	6.9
228.12326	100.0
255.03351	1.3
268.08206	1.7
273.21585	1.3
304.78937	1.0
337.09290	5.4
390.10837	1.8
390.21173	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	390.1165
Annotation	CAY10566
Peak:m/z	Relative Intensity
57.03437	3.3
57.79915	1.5
61.02935	2.5
63.84032	1.4
69.03432	10.4
70.24139	6.2
70.95114	1.4
76.12258	1.5
77.03448	1.8
78.21553	1.4
84.04477	1.4
84.08159	1.8
85.02917	7.1
86.09730	1.6
87.04470	6.7
97.02920	8.9
100.07604	2.2
101.00896	3.2
115.03941	5.7
119.01947	2.7
119.04923	3.2
121.02754	1.9
124.07632	3.7
125.28156	1.4
127.02473	2.7
127.03881	2.8
127.35825	1.9
131.01878	2.2
131.90260	1.6
133.03464	2.9
133.04962	4.9
142.08652	2.2
143.01950	3.6
145.03494	3.7
145.05070	2.2
147.04433	7.6
155.01917	4.3
157.03387	2.6
163.03908	2.0
173.02942	2.6
187.04559	2.0
201.06129	2.0
212.05270	3.6
215.00319	2.0
235.06537	2.2
278.07700	2.4
349.09848	3.8
363.07788	2.2
390.11652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51051	0.4
53.03937	1.3
55.01863	0.6
55.05506	0.6
56.05024	0.4
57.03435	0.7
60.76899	0.5
61.02925	0.6
64.63213	0.4
68.91171	0.5
68.99798	0.5
69.03438	4.3
69.07070	0.5
70.06594	0.9
71.04975	0.7
71.50925	0.6
73.02917	0.8
74.00658	1.0
79.05503	6.2
80.05022	1.0
81.03434	2.9
81.05792	3.4
81.07059	9.2
82.02944	0.6
82.06573	1.1
83.97596	0.5
84.04507	1.8
84.08141	1.8
84.35403	0.5
85.02912	5.9
85.06502	0.6
86.06093	1.0
86.09716	1.9
87.00841	1.4
88.03999	0.9
89.06035	1.0
91.05473	0.6
94.06552	1.0
95.04968	0.6
96.04522	2.5
96.07569	0.9
96.08141	10.9
97.02901	2.0
99.04460	1.1
102.05549	1.1
102.27693	0.4
105.01881	0.8
105.07045	0.7
106.06541	1.2
107.04971	0.8
109.02885	2.5
109.05273	0.6
112.07615	2.0
115.05443	0.5
119.04910	0.6
120.01134	0.7
121.02888	2.5
122.03239	0.8
123.04430	0.6
123.08047	0.5
124.07599	100.0
127.03912	4.2
128.00200	0.7
132.10246	0.7
137.05943	0.5
138.09167	0.6
142.08643	49.3
145.04991	1.3
146.01233	0.6
147.04433	1.7
149.00558	4.1
149.02374	0.6
151.09683	0.7
158.99672	0.6
159.02878	0.7
161.06010	1.0
164.02235	0.6
167.01628	7.8
169.03162	0.6
175.04131	0.5
177.05481	0.8
178.00859	1.4
181.03253	0.6
184.09612	0.5
189.00795	1.1
191.03285	0.6
193.03209	5.5
193.04808	0.8
194.00351	0.9
195.01151	1.1
197.66969	0.5
209.02716	8.6
211.04268	0.5
211.14174	0.6
221.02695	0.9
221.99794	1.0
222.05176	0.5
223.00584	1.0
228.12379	0.7
237.02188	5.9
255.03265	3.2
265.01672	0.9
283.02728	5.9
291.07672	1.0
301.03860	1.6
304.13785	1.0
344.08066	1.3
352.65546	0.5
362.11163	0.7
372.07755	0.7
373.05853	3.8
390.09085	3.3
390.14191	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32381	0.6
53.03942	0.9
55.01882	0.8
55.05514	0.8
56.96585	0.9
57.03434	1.2
61.02919	0.8
68.99775	0.7
69.03437	4.1
69.07077	1.4
69.49630	3.5
70.06597	1.8
72.08150	1.8
73.02917	0.9
79.05507	7.5
80.05009	0.9
81.03417	2.9
81.05797	4.2
81.07066	9.3
82.02946	0.8
82.06570	0.7
83.03718	0.8
84.04514	1.5
84.08138	1.7
85.02910	5.7
86.06049	0.8
86.09707	1.2
87.00829	1.4
87.04493	1.2
88.03984	1.0
89.06022	0.7
91.05492	0.8
93.07044	0.7
94.06570	1.4
95.04970	1.0
95.08525	0.6
96.04506	2.4
96.08144	11.9
97.02898	2.0
98.09697	1.4
99.04478	0.7
105.01868	0.7
105.07043	0.8
105.41592	0.5
106.06577	1.0
107.04978	1.5
109.02885	2.8
109.05273	0.7
110.06030	0.6
112.07615	2.3
121.02876	2.6
121.06535	0.6
122.03222	1.8
124.07604	100.0
125.07957	0.9
127.03940	4.1
131.04945	0.7
132.10240	0.8
142.08650	49.5
144.10349	0.7
145.04967	1.0
146.01305	0.8
146.05978	0.5
147.04457	2.3
149.00600	2.6
149.02312	0.6
159.02927	0.9
167.01660	6.2
175.03880	0.7
177.05602	0.8
178.00873	1.4
189.00854	0.9
193.03246	4.4
195.01233	1.2
209.02664	6.9
221.02715	1.2
221.99895	0.7
228.12335	1.2
237.02213	5.3
255.03218	3.4
265.01675	0.9
276.07602	0.9
283.02707	4.4
291.07587	1.3
301.03799	1.1
362.11301	0.6
373.05823	3.0
390.10696	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
57.03433	1.4
61.02928	1.2
67.05499	1.9
69.03433	3.3
69.07069	1.1
70.06596	0.7
71.04996	0.9
71.37804	1.0
72.08155	1.6
75.48552	0.6
79.05494	2.0
81.03425	1.3
81.07063	2.6
82.06557	0.6
83.04989	2.5
84.79151	0.6
85.02911	8.6
85.06537	2.9
86.09709	3.2
91.03940	0.8
91.05473	1.9
93.07053	2.9
95.04954	2.8
95.08620	4.0
97.02894	3.3
97.06539	2.1
99.08086	1.6
100.07613	0.9
100.31240	0.5
103.05489	0.6
105.07034	3.1
106.63319	0.6
107.08607	3.5
109.02911	0.8
109.06516	2.4
109.10165	2.1
111.08051	1.1
115.07571	1.7
119.08597	2.6
121.06502	0.7
121.10160	8.9
123.05549	1.4
123.08069	4.0
123.11681	3.0
124.03914	0.7
125.09628	1.6
127.03904	1.8
129.10225	0.7
131.08621	2.7
133.10135	3.7
135.08104	1.6
135.11719	1.0
137.09645	0.7
141.05470	2.9
141.06589	1.8
145.04967	1.0
147.11664	1.9
149.09578	1.2
149.13274	1.1
151.11102	1.1
153.09119	6.6
157.09875	0.6
161.13286	1.1
163.14844	1.2
173.13251	5.0
179.11957	0.8
179.14366	4.2
191.14317	7.8
197.12933	2.6
197.15393	2.3
209.15395	9.7
215.13982	0.7
227.09221	0.8
227.12582	6.8
227.16415	6.8
378.20709	0.6
389.17856	100.0
390.18286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03956	2.9
53.59808	1.5
53.94476	1.3
55.01874	1.9
55.05509	1.9
56.67149	1.5
57.03431	1.5
61.02933	3.1
67.05514	6.9
69.03429	6.0
69.07063	3.6
70.64415	4.2
71.04992	11.4
72.83900	1.4
73.02930	2.0
77.79893	1.5
79.05495	3.7
81.03433	6.2
81.07053	9.8
82.79896	1.5
83.04966	2.8
83.08637	2.3
85.02913	21.3
85.06566	9.6
86.09757	2.4
91.05492	6.5
92.27908	1.6
93.07053	12.6
95.04977	77.2
95.08609	7.8
97.02909	6.4
97.06528	5.8
99.04469	22.8
99.08092	8.2
105.07037	10.5
107.08595	18.9
108.05327	1.6
109.02922	3.0
109.06554	4.9
109.10167	43.3
111.08111	2.0
113.14260	1.6
115.07571	6.8
119.08598	6.4
121.10152	12.5
123.11723	19.3
125.09649	2.6
127.03939	11.0
127.07587	4.1
131.08569	12.3
133.10147	79.9
135.08043	4.3
135.11685	2.5
139.11179	6.0
140.04723	2.0
145.04979	1.9
145.10188	3.5
147.11731	4.2
149.09587	2.4
149.13274	7.9
151.11198	16.2
153.09125	37.8
155.07043	2.7
158.10936	2.3
163.14854	4.0
169.12241	12.4
173.13281	31.2
181.04962	3.6
191.14297	42.3
209.15388	100.0
227.09114	5.0
227.16478	13.0
245.93309	1.7
373.05750	1.8
389.17874	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01880	14.0
55.05490	3.6
57.03434	3.5
57.07113	2.1
59.04995	2.0
65.03947	3.4
66.49347	1.9
67.05499	6.2
69.03445	11.3
69.07058	5.0
69.57858	4.8
69.58273	8.7
70.06590	2.8
71.05002	5.7
79.05488	5.6
81.03426	3.4
81.07053	9.6
83.04978	5.5
85.02902	18.0
85.06535	4.3
91.05473	7.8
93.07056	14.2
93.74790	2.2
95.04992	11.6
95.08601	8.2
97.02885	4.4
97.06535	10.9
99.04453	3.0
103.05494	4.7
105.03400	3.8
105.07024	9.7
107.04977	4.5
107.08607	12.7
109.02860	2.2
109.06532	23.5
109.10145	8.6
111.07990	3.1
115.07571	2.8
117.07063	2.7
119.08581	8.8
121.06502	3.6
121.10163	25.1
123.08063	6.3
123.11691	6.0
125.05992	2.2
125.09627	5.4
127.03936	3.6
127.07572	2.2
129.06970	4.6
131.04942	6.7
131.08563	8.6
133.10156	26.5
135.08023	3.4
135.11671	2.6
137.05969	10.2
145.10094	4.8
147.11736	13.7
149.09630	100.0
149.13240	5.0
151.11188	5.7
153.09099	9.3
157.06520	2.5
161.13257	3.2
163.07506	2.4
163.14828	9.8
165.12804	4.1
167.07016	8.7
167.10690	72.9
171.10187	2.7
173.13290	12.9
175.07536	3.0
177.05489	9.0
179.14326	2.6
181.04965	25.6
183.13895	4.2
189.09183	3.2
191.14310	26.5
197.12891	15.4
207.13846	6.4
209.08109	16.5
209.15393	45.0
227.16426	57.3
243.55875	2.2
309.10834	2.1
371.14835	2.8
389.15640	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	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24051	24.8
67.05508	36.1
69.03419	30.9
69.07078	34.5
69.86945	47.8
69.87360	94.4
79.05520	37.2
81.03422	58.3
81.07056	100.0
82.07396	55.0
91.05457	54.9
95.08603	33.1
97.06536	24.1
98.21439	33.4
98.36420	26.3
105.07058	39.7
106.07380	29.1
107.08585	42.2
109.02903	25.9
119.08569	35.4
120.08943	30.4
127.03938	35.9
137.06006	29.5
147.11681	52.8
148.12009	89.3
165.12827	59.2
166.13020	59.9
198.15724	29.3
328.07758	73.0
344.22290	34.4
345.53256	27.3
370.12515	41.7
382.57785	27.2
388.13660	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	389.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01870	0.4
57.03443	1.5
57.22475	0.2
68.99773	0.4
69.03438	2.6
69.37773	2.1
71.04992	0.7
75.07446	0.3
81.03423	3.3
81.07070	0.3
83.01328	0.3
85.02914	3.1
87.00818	0.3
93.07084	0.3
95.04966	0.5
97.02889	3.8
97.06537	0.3
99.04457	1.8
101.02380	5.4
104.53168	0.3
105.07024	0.5
107.08576	0.5
109.02884	4.4
109.10167	0.3
115.67188	0.3
119.03434	5.8
121.10152	0.4
127.03926	100.0
128.04243	0.4
131.03409	1.5
133.10158	0.6
134.14641	0.3
143.06041	0.3
145.04944	1.8
161.13315	0.3
173.04465	3.7
173.13277	0.4
183.16333	0.3
184.42485	0.3
193.44510	0.3
209.15408	1.0
227.16399	0.6
245.06654	0.7
317.73129	0.3
324.81274	0.3
336.02347	0.3
394.56345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05505	0.9
57.03443	1.2
59.05001	1.1
61.02928	0.7
65.03941	1.6
66.48922	0.5
67.05505	1.6
69.03439	3.1
70.06588	2.0
71.04981	0.6
71.42006	0.9
72.08150	2.5
73.02910	1.4
79.05496	1.2
81.03420	1.6
81.07063	2.2
83.04995	1.9
84.04502	1.0
84.08157	1.2
85.02917	8.8
85.06557	3.4
86.09722	4.2
87.04476	0.9
87.07378	0.5
88.07642	0.6
89.06018	1.2
91.05477	1.6
93.07040	2.0
95.01344	2.5
95.04973	2.4
95.08601	4.2
97.02908	3.1
97.06544	1.0
98.97603	0.8
99.04485	0.8
105.07027	1.5
106.69607	0.5
107.04991	0.9
107.08598	1.9
109.02872	0.7
109.06519	1.5
109.10167	1.2
111.04472	1.6
111.08098	0.7
113.02402	1.1
115.07578	0.5
118.04585	0.5
119.04922	0.8
119.08614	1.4
119.86919	0.5
121.02879	100.0
121.10153	1.0
122.03195	0.7
123.04399	0.7
123.08074	12.5
124.07629	1.1
125.09714	0.9
127.03925	1.5
130.06531	0.8
131.08560	0.6
133.10155	1.3
135.08098	1.0
135.11668	0.8
137.09645	0.7
137.76003	0.6
139.03915	0.7
141.01855	3.9
141.05527	0.7
141.09041	1.0
145.05006	1.1
147.04465	2.0
147.07678	0.9
147.11668	0.8
148.04787	1.0
149.09663	0.6
151.07608	0.9
151.11140	0.6
153.09091	2.4
161.13284	0.6
163.14752	0.5
166.08672	0.9
173.13297	1.0
179.07066	0.7
179.14333	14.8
191.14326	2.0
195.06566	4.6
197.08087	0.7
197.15376	10.5
209.13728	1.0
209.15489	3.5
210.14218	1.9
213.07600	9.2
227.14165	1.3
227.16508	4.5
359.20670	1.3
368.40707	0.5
389.14053	2.8
389.18491	3.7
389.22757	0.6
390.11093	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1598
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03947	2.3
54.48829	0.9
55.01878	36.3
57.03432	1.0
57.36205	0.9
65.03938	8.9
67.05511	6.9
69.03413	2.3
69.07068	2.1
69.35844	3.4
69.36275	4.8
71.04991	1.9
73.70542	1.0
78.04715	1.0
79.05479	4.7
81.03416	1.2
81.07062	4.8
82.04202	2.9
85.02926	6.9
89.05997	1.2
91.05486	5.1
93.03400	2.2
93.07049	5.7
95.04971	4.4
95.08604	2.8
97.02870	1.9
97.06539	5.2
103.05470	15.3
105.07036	3.7
107.04959	10.8
107.08590	1.8
108.02107	2.0
109.02889	1.3
109.06512	1.4
109.10143	1.7
110.03676	3.6
115.05466	1.7
117.03422	1.1
117.07031	2.2
119.04992	1.3
119.08599	1.6
121.06532	4.7
121.10126	1.6
122.03663	2.4
123.04450	3.7
124.05230	1.1
125.06021	4.1
128.06242	3.0
129.07028	7.7
131.04933	21.1
133.06519	1.6
133.10146	2.2
134.03670	1.1
135.04366	1.2
135.08081	1.2
135.11676	1.2
136.11562	1.0
137.05989	35.1
138.03110	2.9
138.56393	0.9
140.04663	1.4
140.71245	1.0
141.06956	1.3
142.02629	4.8
145.06485	4.4
147.11717	1.2
149.05983	11.3
149.13243	1.1
151.03908	1.7
153.05492	4.7
157.06483	9.9
157.10143	2.1
159.04437	2.2
160.05197	3.9
161.06017	3.1
163.03889	1.3
163.07533	8.3
167.07059	28.1
171.06575	3.8
174.06770	3.6
175.07568	14.5
177.05489	40.3
177.09087	2.0
181.04971	100.0
182.05392	1.3
183.06509	3.9
187.07515	2.4
188.08276	1.4
189.09131	11.8
191.07083	2.6
201.09160	2.8
205.08598	3.0
209.08104	60.2
210.08487	1.3
217.06694	2.2
217.08566	8.0
218.07181	1.5
219.08163	1.6
219.10107	5.3
221.08003	1.9
226.56660	1.0
233.09668	1.7
234.06784	1.9
235.07536	1.9
235.09715	3.7
238.14673	1.0
247.07498	2.0
249.09222	5.0
261.09180	4.4
262.06345	1.0
277.08591	7.9
278.09436	2.7
293.11740	2.7
302.28302	1.1
309.11206	4.9
311.12891	1.3
321.11234	3.2
329.06494	2.6
339.12350	12.5
341.13922	3.6
353.13715	2.7
359.14914	3.9
365.90533	1.0
371.14929	15.4
389.15967	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33440	0.3
53.03936	0.8
55.01875	0.7
55.05513	1.3
57.03437	0.8
57.07067	0.5
60.04497	0.3
60.19283	0.3
61.02923	0.6
67.05499	1.3
69.03082	0.4
69.03432	3.4
69.07060	1.2
70.06593	0.7
71.04992	1.1
72.08147	1.2
73.02908	0.3
79.05488	1.4
81.03440	1.4
81.07060	2.4
82.06582	0.5
83.01347	0.3
83.04984	1.9
83.08616	0.5
84.04483	0.4
85.02910	6.8
85.06554	2.0
86.09708	3.4
87.00813	0.3
89.06037	0.4
91.05486	1.5
93.07054	3.0
95.04971	1.9
95.08620	2.3
97.02908	2.7
97.06540	2.0
99.04458	1.1
99.08089	1.1
100.07625	1.1
103.05467	0.4
105.07028	3.5
107.04955	0.4
107.08599	3.2
109.02885	1.0
109.06533	1.6
109.10153	1.6
111.04453	0.5
111.08096	1.4
115.07599	1.5
119.08575	1.9
121.06489	0.7
121.10158	9.7
123.04486	0.4
123.05574	0.7
123.08075	2.6
123.11720	3.2
124.03981	0.5
125.09637	1.5
127.03922	2.3
127.07549	0.4
127.50318	0.3
131.08588	1.9
133.10144	4.5
135.08060	1.5
135.11693	0.8
137.06030	0.5
137.09651	0.7
139.07602	0.4
139.11156	0.4
141.05460	2.6
141.06596	1.2
145.04973	1.1
145.10146	0.9
147.04448	0.4
147.11659	1.6
149.09639	0.7
149.13293	0.8
151.07581	0.8
151.11183	0.8
153.09105	4.0
155.07005	0.3
161.06097	0.3
161.13275	0.6
163.11267	0.5
163.14771	1.5
165.05591	0.3
167.07094	0.8
167.14349	0.3
173.13266	3.4
179.07085	0.4
179.11852	0.4
179.14330	2.9
181.04985	0.3
191.14314	7.8
193.08643	0.3
197.12914	1.5
197.15434	1.5
201.12370	0.5
209.08269	0.3
209.15385	8.9
211.09642	0.5
215.14000	0.4
227.09206	0.6
227.12587	5.7
227.16376	5.3
256.18665	0.3
285.87625	0.3
317.17551	0.3
332.73145	0.3
359.20551	0.5
371.18311	0.5
389.17850	100.0
390.18091	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84168	1.4
55.05508	2.8
57.07087	1.9
61.55656	1.4
67.05502	2.4
69.03437	50.1
69.07074	6.6
70.64163	3.9
76.77891	1.5
78.90791	1.5
79.05504	5.1
81.07040	4.5
83.04972	4.1
85.02906	7.2
85.06557	2.6
91.05479	4.6
93.07053	3.6
94.99305	1.6
95.08635	7.3
97.02921	3.1
97.06542	28.0
105.07047	5.3
107.08619	15.3
109.06535	3.7
109.10196	3.2
111.08062	4.1
119.08597	3.3
121.06522	2.9
121.10148	10.0
123.11721	7.1
125.09648	21.6
131.08565	10.0
133.10149	6.2
135.08058	11.7
135.11685	6.6
135.72577	1.7
137.06052	2.2
143.08563	2.1
145.10141	3.4
147.11671	4.4
149.09602	7.1
149.13255	4.7
153.09100	9.1
158.10930	3.5
163.11194	1.7
163.14807	5.2
165.12772	2.8
173.13264	23.1
177.05472	3.4
191.14328	75.6
203.03410	1.8
209.15393	100.0
219.10184	5.2
229.08447	1.6
229.82071	1.5
231.02872	2.6
245.08177	3.9
273.07788	1.6
289.10721	24.1
301.02231	1.7
307.11868	6.1
317.10254	3.5
325.17413	2.1
335.11246	15.1
347.39120	1.4
388.14758	2.5
388.20520	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	388.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42126	25.6
55.05519	44.4
55.76093	26.1
61.58859	32.1
67.05486	57.0
69.07064	45.3
71.52628	48.3
77.26342	27.7
79.05505	44.1
81.07056	100.0
91.05498	37.5
93.07057	50.3
95.08643	50.8
97.06532	59.5
97.10126	34.8
100.96877	28.2
107.08609	46.0
109.02907	44.3
109.10201	30.9
137.06036	30.1
147.11723	52.1
205.11009	39.5
207.31343	28.9
344.22281	95.9
370.12576	98.1
388.14648	53.7
388.24725	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81070	44.0
63.46368	47.4
63.76062	48.5
70.52251	41.6
71.52060	63.1
79.05499	68.1
81.07067	100.0
82.09451	54.8
84.94852	65.6
95.08640	73.7
126.61224	50.6
153.05455	91.9
204.69595	53.0
232.56276	56.7
327.17294	50.6
344.22290	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06529	0.9
51.88347	1.0
53.03946	4.8
55.01875	7.2
57.03457	6.1
61.02937	6.4
68.99796	2.7
69.03438	32.0
70.06579	1.0
71.00121	0.9
71.04999	4.8
71.16578	1.5
73.02928	6.3
79.05506	1.0
81.03421	23.4
83.01302	1.0
85.02912	100.0
86.03250	1.1
87.00837	39.2
91.03989	2.1
91.05548	1.0
97.02900	24.1
97.06516	6.5
99.04455	13.2
105.01877	64.7
105.07042	12.7
108.04480	3.8
109.02890	25.6
115.04003	1.1
117.01817	1.8
123.08059	2.5
123.11724	1.1
124.08420	1.0
127.03928	73.5
128.04288	1.4
129.01865	3.4
131.04970	1.1
145.04970	38.9
147.02907	1.9
147.11708	1.2
148.12070	1.2
151.07578	2.0
152.07947	1.6
159.02901	14.0
163.11168	1.0
171.02956	1.4
177.04013	1.2
189.04002	2.6
203.03329	1.1
207.13902	2.1
208.14223	5.3
208.78491	1.0
213.03960	3.1
213.09126	1.1
219.10149	1.1
230.06715	1.6
231.02808	1.7
231.05045	27.2
231.10101	1.2
245.07988	1.1
248.07584	2.3
249.06107	12.3
260.43805	1.0
289.10742	4.5
289.32196	1.0
312.77673	1.2
335.11380	4.5
355.31393	1.2
375.35962	1.1
388.15921	2.1
388.20642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93298	0.7
56.28494	0.6
57.03444	1.1
59.05009	8.6
60.20830	0.8
61.02933	1.3
63.12881	0.8
69.03421	2.3
69.07057	0.8
70.06611	1.3
70.62139	1.7
70.62478	0.7
72.08162	1.3
73.02914	0.8
81.03434	1.2
85.02917	9.3
86.09688	0.7
89.06048	65.6
91.05494	2.3
95.04967	1.0
97.02893	3.2
99.04490	1.0
103.07610	3.5
104.76629	0.7
105.07034	0.8
107.07075	4.0
109.02917	1.4
116.07166	1.0
119.04964	5.5
121.02893	6.6
123.08083	1.0
124.03938	0.9
127.03907	2.0
133.07664	1.1
133.08630	13.5
140.07114	1.2
145.04941	1.1
147.04436	20.4
148.91957	0.8
151.09686	45.8
163.11182	0.7
181.06790	0.7
183.69250	0.9
191.12778	1.7
209.13881	100.0
210.14204	1.0
275.83136	0.7
283.56131	0.8
296.08005	0.7
322.07718	0.9
381.21750	0.7
389.17877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
52.98139	0.5
57.03448	3.5
59.05006	2.0
67.85798	0.5
69.03445	3.8
70.38472	1.1
70.38862	0.7
71.01362	4.2
71.05011	2.7
73.02925	0.9
75.04497	1.0
78.03465	6.2
80.05022	2.2
84.04530	0.6
84.42950	0.5
84.74892	0.5
85.02921	15.5
87.04491	5.7
94.81813	0.5
96.04512	1.5
97.02910	8.6
97.53607	0.5
98.20750	0.7
99.00844	4.6
99.04467	3.6
101.02393	0.8
103.03970	0.9
104.37569	0.5
106.02937	30.4
111.04454	1.7
113.02390	4.1
123.00700	0.6
124.03975	100.0
125.04265	0.6
127.03951	1.3
131.03427	4.6
138.05495	0.7
140.07076	6.9
141.01813	1.5
145.04945	1.0
147.04459	1.3
159.02928	1.0
169.13170	0.6
173.04515	1.0
180.06595	24.5
198.07652	95.2
199.07935	0.9
199.99104	0.6
208.06021	0.8
240.08789	0.7
307.07175	0.5
356.98434	0.5
370.11362	1.4
388.12350	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	388.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89745	1.2
55.01880	1.4
56.05029	2.7
56.96559	1.8
57.03428	3.8
59.04992	5.9
65.03926	2.9
65.56443	1.3
67.03638	1.3
69.03422	5.4
69.40450	5.1
69.40859	4.4
70.06599	2.6
71.01344	5.7
71.04994	3.8
72.08159	2.2
73.02911	1.7
78.03456	4.1
80.05035	3.3
81.03404	2.2
81.04551	2.3
84.08150	3.8
85.02918	22.0
86.09696	3.7
87.04480	8.7
89.06058	2.0
96.04483	1.7
97.02896	10.5
98.97591	2.7
99.00816	3.7
99.04446	3.4
100.78733	1.6
102.89056	1.4
103.03925	3.9
106.02924	30.1
109.02898	2.0
110.06038	4.7
111.04456	2.1
111.06352	1.4
113.02361	4.6
114.03208	1.3
115.03927	1.9
119.04980	3.9
120.08128	4.0
121.02901	7.7
122.05999	1.5
123.04444	1.5
124.03963	100.0
127.03917	6.8
127.05036	1.2
129.10243	2.5
130.04854	1.3
131.03406	2.8
136.06261	2.5
140.07076	4.6
145.04924	1.9
147.04410	9.6
151.02170	1.9
163.09653	1.9
168.07547	1.9
179.01671	2.0
179.03334	1.5
180.01926	2.1
180.06569	23.3
180.12202	1.9
182.99673	2.2
191.01239	2.3
192.06386	1.4
193.06924	2.7
198.07635	79.8
208.01831	1.7
208.09268	6.1
209.10313	3.1
215.45750	1.2
219.01637	1.5
223.04230	9.9
224.04553	23.4
225.08670	2.0
225.12427	2.4
226.09172	2.8
226.12701	5.6
328.04443	1.4
370.11313	3.7
388.12238	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	388.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50048	0.9
53.50204	1.0
55.05519	8.6
57.07071	4.6
58.99585	2.4
67.05495	1.7
69.07069	1.8
71.02785	2.8
76.02234	9.3
79.05518	1.8
79.63840	0.9
81.07064	3.8
83.04995	5.6
85.06551	2.8
87.00817	1.0
91.05478	1.3
93.07059	7.1
95.08634	6.3
96.67860	1.1
97.06524	4.2
100.02202	2.3
101.00611	1.3
102.00120	2.7
105.07047	1.3
107.08606	10.2
109.06545	1.9
109.10178	2.3
111.04454	50.1
111.08127	3.1
113.06046	1.1
120.01200	1.3
120.03567	1.1
121.06458	1.1
121.10172	1.8
122.02748	2.0
125.06000	16.5
127.07547	1.5
135.08075	7.7
135.11697	12.1
137.05974	2.2
139.07535	1.2
140.57484	1.0
144.01155	5.5
145.10146	8.9
148.00673	3.5
153.12770	3.8
162.02208	21.4
163.11195	13.3
167.07196	1.0
175.07170	1.1
181.12250	100.0
190.01727	12.7
208.02763	24.0
344.22250	2.1
388.24744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.18011	0.3
51.02390	0.4
51.28802	0.3
53.03944	0.5
55.01857	1.1
55.05510	0.5
57.03434	0.6
58.48267	0.3
59.37144	0.3
63.96189	0.3
65.03940	1.5
66.04713	0.9
67.05500	1.5
69.03426	0.6
69.07052	0.4
69.45503	2.0
73.80875	0.4
78.04671	0.4
79.05497	2.1
81.03418	1.1
81.07061	1.4
83.08616	0.6
85.02909	1.0
86.20866	0.4
91.05500	2.1
93.03381	0.4
93.07035	0.9
94.04192	2.6
95.04964	1.1
95.08612	0.5
97.02868	0.4
97.06528	2.4
99.34280	0.3
103.05460	4.0
105.03396	0.5
105.07027	1.4
106.04186	0.3
107.04946	1.7
107.08590	0.9
109.02888	0.6
109.06512	0.7
109.10166	0.7
110.03655	0.5
115.05466	2.0
117.07061	1.9
118.04171	1.3
119.04958	0.7
119.08552	0.6
121.06514	0.6
121.10140	0.6
122.03655	7.7
123.04413	0.9
123.11686	0.4
125.06006	1.0
129.06966	0.5
131.04939	4.5
131.08588	0.5
132.05742	0.5
133.06499	0.8
133.10120	0.4
135.04414	0.6
135.08084	0.6
137.05984	100.0
138.06316	0.7
142.02646	0.6
143.04932	3.3
145.06494	2.8
145.10106	0.4
147.04440	0.5
147.08041	0.4
147.77888	0.3
148.05193	2.4
151.03918	13.2
151.05023	1.2
153.05479	0.6
155.06038	1.0
157.10071	0.4
159.08192	0.4
160.05289	0.4
161.05986	1.1
163.04060	0.4
163.07558	4.6
165.05482	0.6
165.06961	0.3
167.07053	12.4
171.04410	0.4
171.06548	0.7
173.06001	3.4
175.03873	0.6
175.07600	1.4
176.04674	0.5
177.05496	0.7
179.07184	0.4
181.04964	17.8
191.07040	15.5
191.08765	0.5
195.06531	0.5
201.09180	0.4
203.07005	1.7
205.08577	2.3
207.06590	0.5
209.08084	0.8
219.10184	0.3
233.08138	1.2
235.07556	0.6
235.09679	2.4
237.08980	0.5
245.08176	0.4
249.09167	0.6
265.08719	0.5
266.09583	0.4
277.08365	0.4
295.09787	0.5
304.48483	0.3
305.08289	0.5
307.09573	0.4
309.11221	0.6
315.05057	0.5
325.10568	0.5
337.10605	1.2
339.12061	0.5
341.13818	0.9
345.09482	0.3
351.12225	1.0
355.11862	0.5
357.13367	13.4
369.13379	2.1
369.24158	0.4
387.14426	35.2
388.14539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03950	3.9
54.34912	2.1
55.01873	4.3
55.05517	9.5
57.03432	6.5
59.04998	4.0
61.02922	6.6
67.05503	9.2
67.74590	2.0
69.03434	27.3
69.07068	6.7
69.72788	1.7
69.90366	1.7
69.96992	5.7
69.97409	4.0
71.04980	7.1
73.02913	2.3
79.05499	9.5
81.03413	8.5
81.07063	20.0
83.04967	7.0
85.02908	49.5
85.06531	3.4
87.04472	3.2
91.05479	15.1
93.07040	31.7
95.04973	4.6
95.08616	16.8
97.02879	15.7
97.06528	4.6
99.04461	7.6
99.08091	4.4
103.05418	2.3
104.51466	1.9
104.63128	1.7
105.07035	49.9
106.51361	1.8
107.05006	3.1
107.08603	33.8
109.02889	7.1
109.06525	9.0
109.10172	13.0
115.05459	3.6
117.05529	3.1
117.06955	4.3
119.08584	89.9
121.06501	12.1
121.09338	3.1
121.10154	43.0
122.03614	5.0
123.08077	30.6
125.09627	5.3
127.03921	10.3
127.05383	1.8
127.07587	2.0
129.07068	3.0
130.07800	2.1
131.08549	11.6
133.06502	5.3
133.10136	12.7
135.08067	31.2
135.11693	21.3
137.05978	74.2
137.09598	18.2
143.04910	2.8
143.08607	2.9
143.10715	2.6
145.04990	8.8
145.10126	23.5
147.08018	14.1
147.11699	27.7
149.09613	16.6
151.07521	8.4
151.11198	4.0
156.09360	6.0
159.11736	3.7
161.09589	4.1
161.13260	72.6
163.11185	29.1
165.09113	34.3
165.12790	7.5
167.07060	9.4
167.10728	4.5
171.11684	15.9
175.07646	2.7
177.12750	7.3
179.10683	7.4
179.14299	19.6
181.04984	8.2
181.12239	42.3
189.12755	42.4
197.15399	5.7
205.08609	2.4
207.13809	84.0
207.15776	4.0
225.14856	100.0
226.15163	2.1
271.02484	1.9
298.49908	1.9
357.13446	10.1
387.14362	29.7
387.19986	6.9
407.66382	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.326
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05507	7.8
57.07076	2.4
67.03722	2.3
67.05510	13.4
69.07069	26.3
71.04985	9.7
71.52596	3.2
79.05489	7.2
81.07061	28.1
82.70132	2.2
83.08640	3.5
85.06546	100.0
91.05450	5.3
93.07053	16.8
95.07996	3.0
95.08608	60.7
97.06525	5.1
97.10178	5.7
99.08069	8.6
105.07012	10.3
106.19317	2.1
107.08602	23.1
109.10166	38.8
111.08089	19.3
111.11704	8.4
111.84032	2.8
113.05991	3.5
119.08591	12.2
121.10143	23.8
123.11732	23.3
125.09657	3.2
131.08545	5.2
133.10095	6.9
135.11731	16.4
137.13281	15.3
139.11159	5.4
145.10074	8.7
146.35164	2.2
147.11679	9.2
149.09607	2.8
149.13234	10.3
151.14865	3.0
159.11710	2.9
161.13208	6.4
163.11179	11.4
163.14809	9.0
170.25836	2.3
175.14725	3.2
177.12691	4.1
177.16322	4.0
181.12231	16.7
187.14883	3.1
189.16315	3.4
195.13803	4.6
203.17976	4.1
205.19495	13.0
219.20990	5.9
223.16945	4.8
223.80150	2.4
229.19345	2.7
235.08900	2.9
339.95624	3.5
369.31464	8.3
387.16122	8.6
387.27597	3.3
387.32559	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	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.1
55.93263	0.8
56.75339	1.0
57.03434	16.8
59.04979	2.2
61.02932	13.0
69.03433	39.4
71.01346	2.3
71.02035	2.1
71.04999	2.5
71.47660	1.0
73.02920	58.7
81.03431	6.0
85.02908	100.0
87.04473	15.6
89.09686	1.0
91.03949	3.8
97.02897	55.0
99.04428	4.4
103.03938	3.2
109.02879	7.0
115.03934	38.6
121.02881	1.5
127.03926	30.2
133.04971	47.4
137.39268	1.0
145.04964	46.7
150.07597	3.2
158.84576	1.0
163.06020	28.4
163.07394	1.5
171.10118	1.1
187.10226	1.1
194.04474	2.7
203.47577	1.0
223.05951	5.6
237.13411	6.8
241.07011	5.6
259.08105	10.0
277.09055	3.2
295.10251	4.7
315.08856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05516	5.7
57.07078	11.3
59.05008	1.6
61.02930	1.7
62.29483	0.7
63.04487	0.8
65.98488	0.8
69.03441	3.7
70.79028	1.0
70.79348	1.1
71.04982	0.8
72.13247	0.8
73.06537	1.6
79.05476	1.0
81.03406	1.8
81.07049	0.8
83.08607	2.5
85.02441	1.0
85.02915	15.7
87.04482	0.9
89.06042	60.6
93.07061	0.9
95.04990	0.8
95.08593	0.8
97.02898	4.9
97.06556	1.2
101.09666	10.6
107.07062	2.7
109.02877	2.3
109.06532	0.8
116.42281	0.9
121.10219	1.1
123.08170	1.0
127.03893	2.3
133.08614	18.4
137.05974	1.5
141.62241	0.7
144.41312	0.8
145.04901	2.2
145.12238	11.0
151.07732	1.0
151.09668	23.9
163.11145	0.9
167.07037	1.2
207.15935	100.0
208.16292	1.4
223.13368	0.8
224.13658	1.8
263.92532	0.7
386.12152	1.0
387.19937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13087	10.9
53.03944	18.9
55.05494	33.1
57.03432	41.9
66.45914	10.8
67.05513	100.0
69.07067	34.0
69.68212	64.3
73.46618	11.2
79.05508	84.3
81.07065	96.6
83.08657	12.5
90.65164	11.7
91.05487	77.3
93.07060	99.6
95.08617	74.1
97.06565	22.3
99.51859	10.9
105.07034	73.7
106.24391	12.3
107.08584	70.1
109.06475	17.3
109.10153	28.9
110.78011	10.3
117.06944	14.3
119.08562	65.0
121.10150	56.6
131.08578	29.3
133.10138	49.7
135.11687	49.9
143.08574	13.2
145.10158	40.4
147.11668	41.2
149.13332	20.8
159.11710	32.1
161.13246	29.1
163.14783	11.1
175.14890	18.0
177.12691	16.0
187.14825	24.9
205.15956	12.0
241.19531	28.4
259.20575	49.5
277.21637	33.3
281.01715	11.9
326.36569	11.5
326.74329	13.5
351.25476	61.3
351.29239	11.6
380.82349	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	385.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.9
56.20307	3.9
57.03432	14.9
59.04998	5.6
61.02926	9.7
69.03437	53.0
70.06583	10.5
71.04977	4.8
71.88356	3.8
73.02922	10.5
73.06558	48.8
81.03410	5.5
83.04967	5.1
85.02910	100.0
87.04480	32.0
88.02212	13.6
91.03993	4.6
97.02890	64.2
97.03461	7.5
98.97580	6.9
99.04442	5.2
101.02422	4.5
103.05514	3.9
105.07024	14.2
109.02866	8.0
115.03944	53.5
120.08083	3.8
121.02883	20.3
123.04440	4.6
124.87731	4.2
127.03902	23.2
133.04971	57.0
133.06502	14.0
134.02698	24.0
136.06210	35.9
145.04968	49.5
147.04417	7.8
161.05988	31.3
163.06050	23.3
167.07100	10.2
177.05484	5.6
177.29536	3.8
187.13417	5.4
193.08627	16.8
195.06531	4.6
205.07185	17.9
207.06586	4.5
210.05464	3.7
217.10728	4.5
222.49649	4.0
223.08093	8.9
231.06497	11.4
233.04272	3.9
241.19670	3.6
251.09038	6.4
253.12778	9.4
313.03458	3.9
385.13037	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	385.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87024	0.5
55.05510	0.7
57.03444	0.9
57.18124	0.5
59.05011	7.2
69.03440	1.6
70.06590	1.2
71.04995	1.7
71.38008	0.9
72.08145	1.8
73.02911	1.0
73.06562	1.7
79.05495	1.3
81.03416	1.0
81.07060	2.4
83.04992	0.7
84.08154	2.4
85.02898	3.0
85.06571	0.7
86.09717	3.0
87.04476	4.5
89.06041	100.0
91.05486	2.3
93.07050	1.0
94.04196	1.2
95.04997	1.1
97.02890	1.7
97.06534	0.6
99.04467	1.0
103.04001	0.7
103.07587	3.1
105.07053	2.5
107.05022	1.1
107.07096	2.2
107.08606	0.8
109.02861	1.2
109.06523	2.4
115.08875	0.6
116.07114	1.1
117.05518	1.4
117.07014	1.4
119.04899	0.9
119.08586	1.3
120.04140	0.5
121.02960	0.8
121.06510	1.4
121.10162	0.7
122.03680	2.0
123.08130	0.8
125.05999	0.6
127.03889	1.5
131.07074	1.6
131.08530	0.8
133.08615	57.8
135.04390	1.0
135.08047	0.9
135.11749	0.6
137.05994	21.5
138.46330	0.5
139.07547	0.6
145.06520	1.2
145.10115	0.8
147.04375	0.9
147.08052	1.2
147.10188	1.2
149.02356	0.8
149.09695	0.7
155.04945	1.0
161.05998	0.8
161.09679	0.9
163.11267	2.8
165.09192	0.7
167.07057	3.4
173.05981	1.5
177.05426	1.0
177.11237	14.2
177.12637	0.8
181.05009	0.7
191.06961	0.7
191.12741	0.7
193.08691	0.7
195.12328	1.3
199.03995	1.8
200.11646	0.6
201.05432	4.7
205.04973	0.9
205.12180	3.4
211.97086	0.6
221.13835	1.0
222.08734	0.6
223.05977	1.4
223.13335	2.7
239.14969	2.0
245.04443	0.7
259.09616	0.7
273.03952	4.9
283.17471	3.2
327.20239	11.1
361.04175	1.0
367.17105	1.0
372.66000	0.7
385.13589	2.3
385.18484	3.3
385.24219	1.2
403.05774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01877	7.7
55.05518	23.2
57.03436	3.4
57.07076	6.4
59.05015	1.6
67.05510	26.9
69.03448	8.8
69.07082	15.0
69.82005	9.3
71.04986	3.0
71.08639	17.8
73.52113	1.6
79.05502	18.8
81.03406	2.1
81.07063	33.6
82.07325	1.6
83.04996	8.7
83.08623	7.1
84.31792	1.4
85.06550	4.9
91.05492	15.0
93.07053	32.2
95.04984	14.9
95.08622	22.0
96.05769	3.8
97.02901	13.1
97.06523	9.8
97.10187	5.3
98.20827	2.6
99.08105	13.0
105.04518	1.9
105.07053	16.4
107.04980	3.5
107.08611	12.7
109.06535	17.9
109.10169	8.6
110.07264	1.5
111.04453	14.3
111.08080	2.2
113.06010	3.4
115.05437	2.2
117.07036	4.5
119.07853	2.3
119.08581	11.8
121.06520	19.9
121.10157	15.8
123.04482	8.8
123.08087	7.7
123.11708	3.8
124.05231	3.6
125.06024	4.4
125.09675	4.4
127.07525	1.8
129.07024	3.3
131.08588	17.8
133.06474	1.8
133.10117	6.5
135.08073	4.1
135.11743	1.7
137.05965	3.0
137.09651	4.8
139.11192	3.9
143.08545	2.4
145.10077	2.6
147.08052	2.5
147.11696	5.1
149.02277	1.9
149.09647	12.0
149.13240	2.3
151.07542	3.1
151.11201	5.4
157.10149	2.9
159.11716	2.5
161.09595	1.8
161.13289	4.6
163.11160	5.6
165.09137	2.0
165.12764	16.5
167.10660	7.1
171.11697	4.0
173.13354	2.8
175.11185	2.4
177.12752	3.9
179.10617	2.6
179.14301	3.4
181.12257	100.0
183.07829	1.9
185.13211	1.8
189.11275	1.8
189.12762	3.7
191.14307	5.8
193.05122	2.2
193.12175	2.8
201.12686	2.4
207.13818	1.9
211.13229	2.6
231.06053	1.7
261.22421	1.8
263.16498	2.5
275.20172	3.2
277.21527	2.4
289.21692	10.6
293.21149	89.7
305.21130	23.0
350.74887	1.6
351.25333	72.8
351.29654	3.8
352.25928	2.3
367.24847	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	385.1285
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
57.92102	0.2
59.04987	0.7
59.57676	0.2
67.05498	1.0
68.99804	0.5
69.07040	0.3
70.03293	1.1
71.04998	0.6
76.10072	0.2
79.05481	0.4
80.74165	0.3
90.60786	0.2
93.07076	0.4
95.08634	0.3
97.06521	0.8
105.07030	0.3
109.10190	0.3
119.04922	0.3
127.00280	0.4
131.04944	0.7
140.01103	0.3
141.07031	0.3
143.08574	0.3
153.01872	0.4
153.07114	0.3
155.08591	0.5
159.08029	0.4
165.07005	0.5
168.00563	3.8
168.99983	0.5
169.01332	5.5
169.06534	0.9
171.04388	0.3
171.08072	0.6
183.02905	8.5
183.08052	2.4
184.08891	1.2
185.09602	0.6
186.01648	1.8
186.06894	0.4
194.02106	0.5
197.06003	0.5
199.07645	0.3
201.09096	0.3
211.07547	1.1
214.06239	0.6
225.05498	0.6
225.09206	0.3
241.04944	0.3
242.05832	0.5
253.05084	0.5
257.08084	0.5
263.07111	0.4
267.06601	0.7
269.04474	2.1
270.05252	9.2
271.05881	0.8
272.06567	0.3
281.04593	0.4
282.05234	0.8
285.07669	1.8
286.04721	0.7
295.06100	1.6
297.03979	0.4
297.07660	0.5
298.04745	6.7
299.05524	2.0
300.06271	3.8
301.07047	0.8
307.09802	0.4
309.03940	1.9
309.07608	1.1
310.04736	14.8
311.05524	1.4
312.06256	0.5
313.07086	33.2
314.07587	0.6
319.06003	1.1
323.05484	0.7
323.09225	0.8
324.06482	0.5
324.10013	0.4
325.07092	18.2
325.09991	0.7
326.07727	0.6
327.08798	0.3
333.07605	0.4
334.08295	1.5
337.07071	18.2
339.08707	0.4
339.12421	0.7
341.17496	0.7
349.10657	1.1
351.08704	2.8
352.09427	5.9
367.11798	19.5
368.12650	0.4
385.12839	100.0
386.13232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
55.05461	0.4
59.04922	0.4
69.06995	0.8
70.16042	0.9
70.16435	1.1
79.05419	0.7
80.18636	0.4
81.06971	0.7
91.05421	0.6
95.08510	0.9
97.06422	1.2
98.20852	0.6
99.52694	0.4
105.06924	0.8
109.10076	0.6
109.77438	0.4
112.72438	0.4
119.04824	0.8
121.10039	0.7
126.98169	0.4
137.70305	0.4
147.04427	14.5
148.05202	0.6
149.02216	0.5
149.86200	0.4
153.01842	2.1
159.04100	0.4
162.24817	0.4
168.00458	1.7
171.02905	0.4
173.02225	0.5
179.03416	0.5
183.02928	3.1
185.00858	0.4
186.01518	1.0
187.03815	0.7
191.03329	1.3
193.04918	0.9
213.05449	0.7
216.04218	0.6
219.06554	0.6
221.04382	1.0
229.04909	1.5
230.05653	1.5
232.03671	3.4
241.04912	1.6
247.06058	3.2
257.04379	1.1
258.05270	5.7
260.03125	0.5
269.04428	1.0
273.07635	1.0
275.05502	1.1
286.04718	4.8
296.02771	0.5
299.04633	1.3
301.07080	1.2
302.04391	1.0
314.04239	9.1
317.06406	1.1
329.06577	100.0
330.06876	1.6
341.09445	0.5
358.89297	0.4
367.11700	0.5
385.12817	14.5
385.23492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
52.34685	0.3
55.01750	0.6
55.01985	0.5
65.04091	0.3
67.05310	0.7
67.05653	0.6
68.99563	0.7
68.99937	0.5
69.06840	0.5
69.07217	0.7
69.69450	1.8
71.01488	0.4
79.05194	0.5
79.05679	0.8
81.07211	0.3
84.02283	0.4
85.03075	0.5
91.05652	0.5
97.06044	1.1
97.06750	4.6
99.01051	1.1
104.97813	0.3
105.07246	0.3
108.43369	0.4
112.01028	0.6
112.01798	1.0
115.05624	0.4
119.05196	1.3
121.03043	0.4
127.00491	0.8
128.06393	0.5
129.07265	1.0
131.05112	0.7
131.08772	0.7
132.05898	0.4
138.62428	0.4
139.00464	0.6
140.00284	0.3
140.01237	0.7
141.07251	1.4
142.07991	0.4
143.05162	0.4
143.08723	0.5
144.05894	0.8
145.06635	0.6
149.02609	1.4
152.06413	0.5
153.07260	1.5
155.08826	3.6
157.06673	0.8
157.10289	0.8
158.07518	0.8
159.08278	0.7
159.12033	0.4
165.07295	2.0
166.02829	0.7
166.99925	0.5
167.08826	0.8
168.00822	13.6
168.05971	1.2
169.00032	1.1
169.01595	18.0
169.06766	3.4
170.07547	0.9
171.08315	2.4
172.09073	0.7
173.06174	0.5
177.02072	0.4
179.03645	0.6
179.08762	0.6
181.05199	0.9
181.06618	0.7
182.07539	1.1
183.00595	0.9
183.02899	33.3
183.08058	14.1
184.08862	4.7
185.00983	0.5
185.06165	0.6
185.09592	2.3
186.01620	5.9
187.07835	0.4
193.01549	0.4
193.10251	0.4
194.02147	4.5
195.03065	0.5
195.08284	0.5
197.06293	0.6
199.07736	0.7
201.09296	1.2
207.08153	0.6
209.04425	3.5
209.09798	0.7
211.04549	0.4
211.07553	4.6
214.06432	0.8
219.08264	0.3
221.06296	0.4
221.09818	0.6
223.07706	0.4
225.09239	0.8
232.08951	0.4
235.07671	0.5
242.05670	0.4
249.09291	0.4
251.10835	0.4
253.08853	0.6
259.07834	0.4
259.94547	0.3
261.09137	0.7
263.07089	0.7
269.04672	0.8
270.05249	4.8
271.09921	0.4
273.05624	0.4
277.36414	0.3
279.06882	0.4
281.04831	0.3
281.08179	0.6
282.05356	0.9
283.05933	0.3
283.13391	0.4
285.07733	0.7
286.04782	0.8
289.08548	0.4
291.06671	1.1
293.08310	0.4
295.06174	1.7
295.09424	0.5
296.07117	0.5
297.07690	0.4
297.15015	0.7
298.04730	4.0
299.05731	0.3
300.06256	0.8
301.07361	0.9
302.04324	0.4
305.08173	0.6
306.09015	1.2
307.09814	1.2
309.04120	0.8
309.07401	3.7
310.04767	5.0
310.08139	0.7
311.05640	0.4
311.12640	0.4
312.06122	0.3
313.07086	12.9
316.07413	0.5
317.07950	1.4
319.06024	6.0
320.06717	0.5
321.11392	0.4
321.15015	0.8
323.05560	1.6
323.09277	1.6
323.12701	0.6
324.06387	0.9
324.10080	1.6
325.07147	4.4
325.10599	0.4
325.14468	0.6
329.06760	0.4
333.07532	2.8
334.08374	6.0
335.09152	1.1
337.07071	24.5
338.07645	0.4
339.08557	1.1
339.12347	4.7
339.16025	0.6
341.17554	0.8
349.10672	3.7
349.14325	0.4
350.07840	0.7
351.08640	8.4
352.09412	6.8
365.10306	0.7
367.11771	100.0
368.12021	1.7
385.12762	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	385.1285
Annotation	Mirificoumestan hydrate
Peak:m/z	Relative Intensity
55.01875	0.5
55.05507	0.5
59.05000	2.6
67.05501	0.7
68.26381	0.2
68.99784	0.5
69.07069	1.3
70.80190	0.6
79.05480	1.0
81.07053	0.9
83.05022	0.3
83.08576	0.3
85.41574	0.3
88.59500	0.2
91.05482	0.4
95.04948	0.4
95.08608	0.5
97.06541	4.4
105.07049	0.4
107.08633	0.3
115.05485	0.4
118.08599	0.3
119.08596	0.3
124.20040	0.3
128.06171	0.4
129.07016	0.5
131.04909	0.5
131.08565	0.4
133.10139	0.3
140.01048	0.4
142.04218	0.6
143.04970	0.4
143.08551	0.4
144.98711	0.3
149.02278	0.4
152.06210	0.3
153.01894	0.4
153.07010	0.5
155.08574	0.6
157.10194	0.5
159.08064	0.4
161.06102	0.4
165.01865	1.2
167.08598	0.3
168.00562	5.3
169.01323	3.5
169.06396	0.4
171.08055	0.5
172.05304	0.3
173.05974	0.4
179.08644	0.4
181.06538	0.6
181.10211	0.4
183.02911	4.2
183.04495	0.4
183.08069	1.3
184.08852	0.6
185.00760	0.4
185.06018	0.4
185.09674	0.6
186.01642	2.6
187.03848	0.3
189.09074	0.5
194.02126	0.3
197.05975	0.3
197.09651	0.4
199.07625	0.4
201.09076	1.3
207.08066	0.3
209.09622	0.6
210.06772	0.5
211.07578	1.6
213.05507	0.3
222.10454	0.4
225.09142	0.8
229.08632	0.6
236.04742	0.3
237.05525	0.3
237.12703	0.4
243.10118	0.3
251.14351	0.9
253.04979	0.7
253.08636	0.3
261.09024	0.3
264.04147	0.7
265.05115	0.4
269.04428	0.9
270.05225	2.5
271.09790	0.5
275.14423	0.6
279.06610	1.0
279.13797	0.6
281.04419	0.8
282.05255	2.6
283.06122	0.4
285.07639	0.6
291.06512	0.4
292.03323	0.3
293.04520	0.6
295.05917	0.3
297.07666	0.5
297.14996	0.6
298.04694	2.4
299.05325	0.3
299.12527	0.3
303.13834	0.5
307.09796	0.3
307.13251	0.4
309.04016	10.4
309.07553	1.5
310.04730	67.2
311.05444	4.6
312.06351	2.1
313.07034	4.3
319.06116	0.8
321.14859	1.2
323.09290	0.7
323.12814	0.5
323.16403	0.4
324.06152	0.4
324.09888	0.4
325.07077	100.0
326.07483	1.7
329.06543	2.5
331.13364	0.5
333.07590	0.5
334.08304	0.4
337.07068	31.9
338.07446	0.8
339.12250	1.3
339.15976	0.7
341.17462	1.1
349.14322	0.8
351.08536	1.7
352.09457	10.8
367.11777	78.0
368.12134	1.3
385.12802	38.6
386.13242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.42192	0.7
54.82241	0.7
55.01873	4.6
56.96566	0.9
57.03431	1.5
61.02929	1.9
65.03963	0.9
67.05477	1.0
69.03428	2.4
69.47335	0.7
70.05705	0.7
70.06600	1.0
70.39597	2.5
70.60562	0.8
73.02936	1.3
73.06558	2.0
78.04707	1.1
79.05503	5.6
81.03415	1.5
81.07069	1.7
83.01359	1.8
85.02905	10.1
87.04474	1.1
88.02232	2.1
91.05487	5.6
95.01329	1.2
95.04961	3.6
95.92315	1.0
97.02901	6.2
98.97630	0.9
103.05460	7.3
105.07039	57.8
105.44006	0.9
107.04956	2.7
109.02887	2.2
113.02395	0.9
113.39485	0.7
115.03931	3.1
115.05460	12.1
117.07037	4.2
118.04164	4.2
119.04944	2.4
121.02912	3.8
121.03674	1.0
123.04443	5.5
124.66244	0.8
126.87875	0.7
127.03918	3.2
128.06245	1.3
129.06999	1.9
131.04935	4.4
132.05750	1.5
133.04919	2.1
133.06502	51.9
134.02718	2.9
135.08109	0.9
136.06197	4.3
136.59203	0.9
137.05940	0.9
139.03938	1.0
140.04677	2.3
141.01822	0.8
141.06995	1.1
143.04926	2.1
143.06049	4.2
145.04964	2.3
145.06516	4.7
147.04417	4.2
147.08038	1.5
151.03889	1.6
152.04588	0.8
155.07130	3.9
157.04970	1.2
157.06503	2.1
160.05220	2.4
161.05997	100.0
162.06580	1.4
163.03781	1.0
163.06050	0.8
163.07735	0.8
167.07059	30.3
169.06451	1.0
169.12132	1.0
173.06003	4.5
175.03915	2.7
175.06032	2.0
175.07544	2.4
177.05460	1.7
178.06184	1.3
179.07045	1.1
181.04980	2.4
182.99638	0.9
183.04575	0.8
183.06532	3.2
185.05931	1.0
186.03145	1.8
187.03944	1.0
187.07671	1.4
187.13278	1.6
188.04659	1.1
189.05490	3.3
190.06235	1.7
191.07057	2.6
192.07822	2.8
193.08627	65.5
199.04031	1.0
201.05510	2.6
203.07066	1.9
205.08595	6.4
206.09303	1.3
207.06581	9.0
207.10185	0.9
213.05544	1.0
215.07045	1.6
217.04958	2.4
219.06664	4.4
220.07243	1.2
221.08083	3.8
223.09772	1.2
229.04927	3.0
231.06534	5.9
233.04485	7.6
233.08043	4.5
234.08888	1.2
235.06056	1.2
235.09657	1.4
243.06491	1.4
245.08261	1.9
247.06088	1.9
249.07637	2.3
251.09146	23.3
251.11803	1.2
252.07162	2.2
253.07608	3.3
259.05975	1.3
261.07617	10.8
263.09161	3.6
273.07715	2.0
275.02640	0.9
275.09244	3.9
277.07150	2.0
279.08609	2.8
289.07025	2.9
291.08740	1.4
293.10141	3.5
295.08221	1.2
301.07150	1.0
305.10278	2.5
307.08157	5.8
308.97995	0.9
319.08325	1.1
367.10245	2.0
382.30042	0.9
385.11597	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05513	4.5
59.30356	1.4
61.02740	1.6
67.05511	10.6
69.07078	8.1
70.59449	3.6
78.26073	1.4
79.05495	7.4
81.07063	26.3
83.08620	5.4
86.57772	1.5
91.05489	13.1
93.07056	17.2
95.08620	28.7
97.06534	1.5
105.07044	100.0
106.07382	1.4
107.08606	21.9
109.10168	18.5
119.08593	48.6
121.10156	10.8
123.11705	4.2
129.07045	1.6
131.08591	2.3
133.10136	16.2
135.11684	15.8
137.09535	1.6
145.10185	5.3
147.11711	12.8
149.13281	8.2
149.96663	1.5
151.44135	1.4
157.10149	2.5
159.11734	6.0
161.13274	92.3
162.13618	1.8
163.14798	8.7
171.11890	1.5
173.13309	3.8
175.14848	20.7
177.16382	3.5
179.14320	4.6
187.14900	2.4
189.16531	3.6
191.17943	14.7
201.16409	3.9
203.18039	3.6
209.72865	1.5
217.19495	2.7
365.32144	5.4
383.29565	2.0
383.33191	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	384.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10610	1.2
51.13963	1.2
54.42542	1.2
59.04998	3.9
67.05505	3.0
69.03430	2.4
69.07062	7.1
69.56191	7.3
70.06612	1.6
70.11633	1.1
71.05003	13.3
79.05498	5.2
81.03407	1.1
81.07058	44.0
83.04974	2.5
85.02914	11.9
85.06558	1.6
93.07037	2.9
94.79292	1.1
95.08627	1.6
97.02894	1.6
97.06531	3.9
99.08098	2.0
105.07054	1.8
107.08579	7.3
109.06527	3.1
109.10161	10.5
110.07189	1.3
111.08074	2.6
111.11717	4.0
121.10114	2.9
123.11697	13.4
127.03934	4.4
127.07532	1.4
133.10156	2.5
137.06009	1.6
139.11215	7.2
142.67609	1.4
151.11200	19.1
157.12231	10.5
158.05995	1.5
169.12239	22.3
177.05475	1.5
187.13300	100.0
201.05409	1.5
205.14363	12.6
281.27939	1.2
291.47452	1.3
349.18576	2.0
354.60605	1.1
402.93689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	0.5
58.07605	0.3
70.14758	0.8
77.92427	0.4
77.95864	0.4
82.99810	0.5
86.11401	0.4
88.63468	0.3
94.71320	0.3
98.97594	10.5
99.97875	0.4
101.00888	2.7
116.98625	4.8
119.01929	5.0
134.99648	1.3
137.02910	0.5
140.98712	0.4
158.99895	2.0
166.60191	0.3
177.00972	12.4
178.01041	0.5
182.99843	0.6
201.00911	3.2
217.04115	3.0
219.02023	21.5
220.02113	0.6
225.00908	3.0
233.75702	0.4
240.98839	0.8
242.98621	0.5
242.99272	0.7
243.02011	12.0
258.99847	4.9
260.00027	1.0
260.99988	3.6
261.03082	100.0
262.03220	3.6
263.03177	0.7
277.00879	4.3
278.01074	1.0
279.00708	4.3
283.00000	3.6
284.00009	0.7
284.04663	1.3
284.99814	1.1
301.01059	3.9
302.01321	0.8
303.00952	1.5
325.01031	0.4
343.02078	1.9
344.02463	0.5
364.05005	0.9
367.02182	2.4
380.17532	0.6
385.03299	19.1
386.03351	0.9
403.04575	16.9
404.04916	0.6
408.04422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65877	3.7
52.82242	3.7
55.05507	11.6
57.07055	6.5
67.05502	21.8
67.24490	3.5
69.07082	25.8
69.82459	7.6
69.82867	13.0
72.28618	3.3
79.05495	6.5
81.07069	40.8
83.08626	12.1
91.05489	5.2
93.07064	23.9
95.08620	100.0
97.10165	5.8
105.07020	10.1
107.08613	42.0
109.10166	78.3
111.08070	7.5
111.11759	6.1
119.08585	21.1
121.10136	42.1
123.11700	15.8
131.08554	3.9
131.82854	3.8
133.10117	13.0
135.11725	29.8
137.13290	20.8
141.95493	3.8
145.10095	5.4
147.11720	9.9
149.13243	23.5
151.14857	17.1
153.12747	4.9
159.11702	11.0
161.13269	9.5
163.14825	13.4
165.12779	3.7
173.13329	6.5
175.11229	13.4
175.14793	7.7
177.12773	12.1
177.16405	4.3
179.14284	29.0
187.14902	6.1
189.16422	6.4
191.14389	11.2
191.18036	6.4
205.19537	32.6
233.63927	3.3
241.16792	3.8
245.22714	43.7
259.20328	4.0
365.32224	6.8
383.33133	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.05507	12.3
57.03451	3.7
57.07066	11.8
59.04999	6.3
59.77214	2.6
67.05511	31.2
69.03445	17.8
69.07060	12.3
69.38828	2.7
69.81584	3.2
71.02853	4.7
71.03174	3.0
71.04993	8.5
78.00471	2.8
79.05500	32.8
81.07060	39.2
81.28417	2.9
83.04985	4.8
83.08624	3.5
85.06547	6.3
91.05482	47.3
93.06491	6.5
93.07049	97.0
95.04983	32.6
95.08611	39.9
97.06517	12.8
103.05460	4.2
105.07034	77.8
107.08592	43.7
109.06525	25.0
109.10169	24.9
111.04478	3.2
111.08060	9.8
115.05422	3.5
117.07009	11.4
119.08594	54.7
121.06536	19.7
121.09337	4.9
121.10158	50.8
123.08068	24.1
123.11695	5.1
127.03907	2.9
128.06197	5.7
129.06993	16.4
130.07797	4.1
131.08566	35.7
133.06477	10.3
133.10161	29.3
135.08089	20.4
135.11674	7.3
137.09647	10.7
141.06987	4.9
142.07813	20.6
143.08540	22.9
144.09370	5.6
145.06487	5.1
145.10124	36.9
147.08055	31.1
147.11679	13.7
148.08961	4.0
149.09618	36.5
151.07538	36.1
153.09045	6.3
155.08591	6.6
156.09370	10.3
157.10147	41.5
159.08026	5.3
159.11691	16.6
160.99008	3.8
161.09607	18.6
161.13231	8.7
163.11157	8.5
165.09117	38.1
167.08540	4.2
169.10133	7.0
170.10931	7.5
171.11696	13.4
173.09601	11.7
173.13272	11.1
175.11212	19.1
175.14771	7.0
177.09096	12.7
178.09892	5.5
181.10191	5.8
181.12096	3.3
183.11711	6.3
185.13306	22.3
187.11162	4.1
187.14751	4.7
189.12740	11.5
195.11679	6.2
197.13225	7.5
199.11247	6.1
201.12794	10.0
203.14299	34.4
207.11778	5.0
207.13811	11.5
209.13298	8.6
209.15317	6.9
213.12685	8.0
215.14363	8.8
216.15092	3.8
217.79257	3.2
219.13837	7.2
221.13562	3.7
221.15375	100.0
225.16330	5.0
227.14322	9.3
231.13789	4.1
233.15399	6.1
234.16124	16.9
254.61546	2.9
265.15964	4.7
269.12436	4.8
269.19348	3.4
271.15338	6.0
286.19260	7.4
287.20096	9.0
299.20087	5.4
303.19534	11.5
309.18259	4.7
365.24774	17.1
383.25842	93.2
384.26196	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.65418	1.8
53.03939	5.6
55.01868	2.3
55.05525	13.2
56.96561	3.3
57.07070	8.6
59.04990	9.0
65.01471	1.9
67.05515	21.0
69.03439	14.9
69.07061	8.3
70.98110	5.7
71.04989	8.3
74.40539	1.9
79.05504	29.7
81.07072	31.9
83.04967	6.5
83.08636	4.2
85.06553	5.2
91.05495	38.8
93.07059	82.5
95.04980	22.6
95.08619	41.2
97.06541	14.2
102.25990	2.1
103.05490	3.7
105.04485	2.8
105.07048	74.4
107.08609	49.1
109.06540	28.2
109.10183	16.1
111.08099	7.6
115.05482	3.7
117.07028	10.9
119.08603	54.7
120.09332	2.8
121.06535	13.2
121.09335	3.5
121.10155	46.0
122.07298	3.4
123.08088	32.3
123.11734	3.3
123.83422	2.6
128.06181	4.6
129.07034	11.9
130.07806	4.2
131.08601	28.4
133.06493	9.6
133.10155	26.4
135.08067	22.1
135.11729	6.3
137.05969	2.5
137.09671	12.8
141.06949	3.4
141.98943	2.4
142.07797	17.2
142.94514	2.0
143.08586	30.5
144.09346	6.9
145.09059	3.6
145.10152	40.7
147.08081	26.6
147.11717	15.2
148.08899	2.6
149.09642	22.8
151.07573	39.8
153.09174	3.5
155.08537	8.5
155.10661	2.4
156.09317	6.9
157.10158	48.3
159.08098	7.9
159.11722	16.5
160.08835	2.9
161.09651	19.2
161.13280	8.4
163.11218	6.8
165.09134	30.6
169.10170	10.3
170.10905	4.3
171.11728	12.9
173.09703	11.5
173.13293	8.8
175.11206	22.5
175.14847	8.8
177.09125	10.7
181.10123	3.1
181.12294	3.4
183.11690	4.3
185.09671	2.4
185.13281	19.6
187.11165	3.6
187.14903	3.2
189.12788	11.0
191.14340	4.2
193.10207	4.1
195.11719	5.8
197.13300	8.6
199.11281	3.9
199.14847	3.9
201.12796	11.2
203.14343	26.9
207.11754	4.9
207.13858	12.2
209.13310	5.7
209.15405	8.5
211.14827	3.2
213.12863	5.4
215.14374	10.0
219.13811	5.4
221.13388	4.2
221.15385	82.6
223.14928	2.4
225.12753	2.5
225.16368	2.9
227.14371	10.3
233.15462	6.8
234.16190	9.9
237.14810	3.4
239.14517	3.4
243.13919	4.5
271.17026	3.4
279.17734	2.4
281.19070	3.4
286.19290	5.3
287.20111	9.7
291.17490	2.5
299.20105	6.6
303.19644	5.4
309.18503	5.2
323.09506	3.1
328.89688	2.1
350.60602	2.2
359.60944	6.7
360.10638	3.5
365.24905	19.5
383.11630	2.3
383.25861	100.0
384.26102	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29744	1.0
50.48422	1.0
53.03945	1.5
55.05508	3.4
56.36596	0.9
57.03426	1.1
57.07082	2.0
59.16594	0.8
59.29866	0.9
61.36809	1.1
67.05504	7.0
69.07069	6.3
69.14362	2.5
69.14759	10.3
79.05503	7.6
80.04680	1.0
81.07067	26.2
83.08659	1.8
85.42925	1.0
91.05497	8.5
93.07055	18.9
95.08619	25.8
97.10140	1.0
98.21455	2.5
103.05444	1.1
105.07040	100.0
107.08600	21.8
108.84519	1.1
109.10160	10.5
111.08087	2.0
117.07011	1.5
119.08588	50.3
121.10146	13.0
123.11699	5.1
131.08615	2.7
133.10147	15.1
135.11696	15.2
137.13251	1.9
145.10156	4.5
147.11681	13.3
149.13278	7.4
159.11711	8.3
161.13271	92.4
163.14809	12.2
165.16417	1.0
171.11681	1.1
173.13348	3.8
175.14841	24.1
177.16467	3.1
179.14366	4.1
187.14873	3.0
189.16464	4.1
191.17960	18.4
201.16412	2.2
203.17961	6.6
207.17487	2.6
215.18054	1.5
217.19582	2.5
229.19629	1.2
243.09071	0.9
268.65445	1.1
329.52591	1.1
365.32068	10.6
383.33212	37.5
384.33554	1.2
397.78839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01870	1.2
55.05513	1.2
56.96554	1.9
57.03440	2.7
61.02931	1.9
67.05473	1.9
67.41190	0.9
67.85703	0.9
69.03433	9.2
69.07076	1.2
69.24029	1.0
70.06590	2.2
71.50852	1.2
72.08155	1.4
73.02898	1.2
81.03433	3.3
81.07085	1.2
81.19453	1.0
83.04973	1.7
85.02435	1.5
85.02908	18.9
86.67390	1.0
87.04485	2.5
95.04950	1.4
97.02900	6.8
98.97575	3.9
99.04446	1.7
107.04941	1.3
109.02866	1.4
110.07159	1.7
111.04431	1.6
112.99129	1.2
115.03938	1.2
115.05462	5.3
116.08701	0.9
116.98574	1.4
120.08112	1.2
121.02875	1.9
127.03886	4.8
130.06566	5.7
132.04466	0.9
132.08110	3.0
134.06035	3.6
145.04919	2.2
146.06050	2.3
147.04417	2.4
148.07593	11.8
158.06020	19.4
160.07608	21.5
162.05519	45.9
163.03824	1.5
172.07591	2.1
175.08678	24.4
176.07024	1.3
177.00745	1.9
177.05450	2.2
182.06053	1.1
184.07654	1.4
185.02972	1.1
186.05516	34.0
186.07187	2.0
191.06903	1.1
204.06570	83.2
212.06268	4.4
221.09216	100.0
222.09482	2.0
228.06552	2.5
237.03014	1.1
245.09219	4.6
253.09686	1.2
263.10303	4.0
270.07672	1.3
276.74155	1.0
287.10309	2.2
292.11914	1.1
297.14536	3.1
299.10394	1.5
329.11356	1.8
347.12427	1.4
365.13562	2.1
383.09149	2.7
383.14258	8.7
402.68030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01871	0.9
55.05514	0.9
57.03439	2.3
60.04530	0.9
61.02923	1.1
69.03432	6.6
69.07078	0.6
69.78822	1.8
70.06597	26.8
70.19668	0.5
71.04990	2.6
72.08178	0.7
73.02937	1.2
79.05497	1.7
81.03426	1.5
81.07041	0.6
84.08115	0.6
85.02911	1.2
86.09715	7.9
87.04471	1.2
91.05489	4.5
93.07050	0.7
95.05009	0.8
97.02912	1.1
99.04459	2.3
104.99287	0.6
105.07048	2.0
106.06544	1.6
107.04980	0.8
107.08649	0.8
109.02870	0.6
110.97591	0.6
111.04448	0.8
116.07100	6.2
117.05500	0.7
118.05334	0.6
118.55329	0.5
119.04969	0.9
119.08571	0.9
121.06500	1.1
121.10046	0.7
124.07590	0.7
127.08688	25.3
131.04961	1.3
131.05957	0.6
131.08578	1.1
133.07645	3.6
143.06041	0.6
143.08649	0.6
145.07611	6.5
145.10101	0.8
146.08388	0.8
147.04352	1.4
147.08066	1.2
147.09184	1.0
149.09579	1.4
155.08171	22.6
161.07083	1.4
161.09621	1.0
163.08681	9.2
167.03479	1.0
171.09186	0.6
173.07986	0.8
175.03897	1.2
175.08714	2.5
175.11125	0.7
177.06682	1.3
181.08597	0.7
183.09219	0.7
183.14948	0.6
188.10693	0.7
189.06546	4.3
191.10606	1.5
200.09418	0.7
201.10223	1.6
207.07683	66.1
208.07953	0.7
214.06032	0.9
215.11726	0.7
221.10014	0.9
229.09915	0.8
231.11264	1.2
232.07195	6.0
240.17123	6.5
249.12366	1.0
261.12268	0.8
264.08728	0.6
268.16599	11.3
275.10458	0.6
275.13687	0.7
279.13419	6.3
287.10049	1.0
305.11374	2.5
311.13135	0.6
321.18982	1.0
323.12405	24.1
348.11856	1.5
365.16620	0.9
366.12979	100.0
367.13254	1.6
383.12985	1.0
383.17624	1.2
383.22549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	8.7
54.78516	3.2
55.01881	3.7
55.05507	12.6
57.07076	9.2
59.05000	5.9
67.05505	35.0
69.03435	19.1
69.07075	11.6
70.56662	5.8
70.57036	6.6
71.05002	7.4
74.46059	3.2
78.85895	3.0
79.05503	36.1
81.07063	38.7
83.04976	9.7
83.08599	7.2
85.06564	6.1
91.05489	45.1
93.07050	100.0
95.04974	29.1
95.08614	40.2
97.06544	17.9
97.07090	3.3
103.05457	5.5
105.07037	71.4
107.04946	3.8
107.08601	54.5
109.06536	22.2
109.10173	27.8
111.08094	10.3
115.05479	6.0
117.07064	10.7
119.08592	61.4
121.06506	13.2
121.10162	52.1
123.08072	29.9
128.06229	12.4
129.06996	14.5
130.07782	4.2
131.08588	29.1
133.06493	9.4
133.10146	31.7
135.08090	26.3
137.09621	9.5
141.06985	6.1
142.07788	19.5
143.08577	28.9
144.09373	8.6
145.10138	50.7
147.08058	26.3
147.11690	14.9
148.08781	4.3
149.09634	27.9
151.07567	37.6
153.09181	4.4
155.08548	10.0
156.09352	8.4
157.10135	48.1
158.10976	3.8
159.08040	9.1
159.11711	22.4
160.08920	4.8
161.09615	21.6
161.13257	7.5
163.11186	9.4
165.09106	37.6
167.08461	4.3
169.10158	10.0
170.10924	7.7
171.11674	10.4
173.09596	13.5
173.13187	9.2
175.11212	19.3
175.14833	8.5
177.09091	14.2
181.10109	4.5
181.12210	6.9
182.10957	8.1
183.11736	8.3
185.13264	22.4
187.11165	8.2
187.14883	6.7
189.12712	8.7
192.59261	3.7
193.10132	4.0
195.11786	5.2
199.11264	4.6
199.14856	5.3
201.12743	8.4
203.14384	21.9
204.41797	3.6
207.11908	5.2
207.13828	12.9
209.13303	9.3
209.15248	8.2
211.14880	8.6
213.12700	8.0
215.14340	13.6
219.13892	7.8
221.13345	3.7
221.15363	80.4
227.14285	8.7
233.15344	9.2
234.16158	16.1
239.14200	3.6
263.18085	4.4
265.15942	3.8
285.18475	3.6
286.19373	6.1
287.20108	11.3
299.20270	4.9
303.19437	8.0
325.21848	3.7
347.23840	4.4
365.24722	14.1
383.25842	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.03431	4.8
61.02919	5.6
69.03424	15.8
70.06612	2.6
71.01372	2.1
71.04987	3.0
71.50057	2.5
73.02913	4.3
74.02451	2.2
81.03429	8.0
84.08144	1.7
84.39645	1.5
85.02437	3.0
85.02914	40.1
87.04482	3.7
91.05482	3.0
94.06574	1.9
97.02909	13.0
98.97585	7.5
99.04456	2.1
100.07613	1.7
101.00900	2.4
103.03957	1.8
109.02881	6.7
113.60909	1.8
115.03950	3.8
118.06553	5.0
119.01895	3.1
119.04966	3.0
121.02942	2.0
124.03844	1.9
127.03907	11.7
129.98088	1.7
130.06543	53.8
131.01877	3.4
132.04475	15.6
132.08109	6.8
133.04971	2.0
136.07533	1.7
137.06004	3.4
143.01959	1.9
143.07338	2.8
144.06915	2.0
144.08090	23.1
144.97908	1.9
145.03563	2.0
145.05043	5.4
145.07626	19.2
146.06006	10.5
146.08093	2.2
147.04431	5.5
148.07629	4.0
154.06543	6.6
155.04668	2.9
156.08113	6.8
157.03453	2.0
157.07626	55.6
158.06026	53.0
158.99675	3.0
159.09203	8.4
160.07619	4.4
161.01089	2.3
164.27614	1.6
169.07631	8.0
170.06067	3.4
170.08458	2.9
171.09222	7.9
172.07610	9.2
173.03044	1.8
174.05525	6.7
175.08685	57.1
180.08139	1.8
181.07619	3.1
182.08405	2.8
183.09161	15.5
184.07574	2.5
185.03020	2.0
185.07130	11.9
186.05620	2.5
186.07863	3.0
187.08626	2.5
188.07141	3.5
196.07726	1.9
199.08618	9.4
200.07097	17.2
203.08174	100.0
204.06627	4.1
207.09192	2.1
209.07063	8.2
211.08609	1.8
212.06290	4.9
215.08183	3.3
216.08919	5.2
217.09750	25.3
219.01756	2.9
221.04689	2.0
221.09241	58.2
227.08289	13.0
228.06577	2.6
231.07661	4.3
237.02718	1.9
245.05196	2.8
245.09206	24.6
246.04066	4.0
257.09311	3.1
263.10297	47.7
266.08133	2.9
295.08923	2.1
299.10349	4.9
302.09512	3.2
329.11432	4.6
347.12534	11.3
348.10825	10.0
362.04788	1.7
365.09149	3.2
365.13477	40.5
378.17621	2.1
383.10306	3.1
383.14584	36.3
401.06696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1129
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
55.01862	0.6
65.03944	0.4
66.91280	0.4
67.05506	3.6
68.99792	1.7
69.03419	0.6
71.01376	0.6
71.28711	0.8
71.85923	0.4
79.05508	1.0
81.07060	0.4
84.02100	0.4
91.05477	0.9
93.07038	0.9
93.88322	0.4
95.08605	0.8
97.02917	0.3
97.06551	2.0
97.07077	0.4
99.00813	1.4
105.07059	0.8
107.08613	0.5
109.10155	0.5
112.01581	2.0
115.05441	0.5
121.02899	0.5
121.10080	0.3
127.00277	2.1
127.03941	0.4
128.06252	0.8
129.06996	1.5
131.08638	0.9
139.00212	0.7
140.01086	0.7
141.06995	2.8
141.65938	0.4
143.08569	1.1
147.04390	0.5
149.02382	0.5
151.30902	0.4
152.06219	0.7
153.01860	0.7
153.07007	4.3
154.02629	1.1
154.07785	1.0
154.49501	0.4
154.99680	0.5
155.08551	2.0
157.06506	0.8
159.08008	0.8
161.05940	0.8
165.01915	0.5
165.07048	0.6
168.00555	18.1
169.01341	12.7
169.04974	1.4
169.06487	1.7
171.08060	1.3
173.06010	2.3
175.07655	0.9
181.01447	0.5
181.06496	5.4
182.07280	4.8
183.02907	34.1
183.08095	2.9
184.05167	0.5
185.00813	0.9
185.06012	2.8
186.01611	7.0
186.06747	0.6
187.07553	5.1
188.08295	1.0
194.02118	0.6
195.02873	1.9
196.59778	0.5
197.05956	0.5
197.09569	0.5
199.07542	6.8
200.08337	2.8
201.09155	2.2
209.04393	0.6
211.07585	0.5
213.09036	0.7
221.09679	0.5
223.07639	0.9
225.05418	0.5
227.07057	7.0
237.05370	0.9
241.08539	0.9
249.09238	0.7
251.07021	1.0
252.04071	0.6
265.04974	1.1
267.06613	0.6
277.08490	1.0
279.06479	1.8
281.04498	1.1
282.05344	0.8
283.06000	1.7
283.94293	0.5
284.03156	0.8
285.04016	2.8
293.04752	0.6
293.08102	1.1
294.05240	0.5
294.08945	0.7
295.06039	0.5
297.04324	0.7
297.07581	1.9
298.04678	1.1
299.05344	0.7
301.07071	0.5
303.06717	0.6
304.07401	0.7
305.08035	0.7
307.06024	4.0
308.06799	0.5
309.04086	0.5
309.11292	0.9
310.04626	0.9
311.05518	1.8
313.03418	2.4
313.06888	0.8
314.04126	0.5
321.04095	0.6
321.07541	1.8
322.08414	3.8
323.09348	0.7
325.07034	1.9
326.04361	3.0
327.12180	0.6
328.05856	3.6
329.06448	0.7
332.06738	0.7
333.07550	1.2
335.05499	5.2
336.06308	0.7
337.10760	2.2
337.14374	0.6
339.04993	2.9
339.08585	1.0
340.09409	1.0
341.06552	2.0
349.07068	2.5
350.07907	7.4
353.06570	9.6
354.07297	0.8
355.07910	0.5
355.11832	6.0
365.10294	6.2
365.14374	0.4
367.07990	1.1
368.08929	3.5
383.11243	100.0
384.11462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.7
60.89647	1.8
64.00745	2.0
66.24537	1.7
69.03434	3.5
71.00967	3.1
71.01359	51.5
91.05486	2.1
95.08585	1.8
97.02897	26.7
98.20740	5.3
99.04465	8.1
103.05478	4.8
107.04976	13.3
109.02877	4.5
115.03918	3.8
118.29684	1.7
119.04974	3.3
121.06541	1.7
123.04443	53.0
125.02334	5.4
127.03925	9.5
131.04933	14.8
131.08583	1.8
133.06526	3.0
134.03665	4.3
135.04405	6.1
147.04408	6.1
148.05217	5.8
149.05988	25.9
157.06470	2.3
159.04440	6.0
161.05965	5.6
163.03894	7.2
173.05983	5.4
175.03957	7.9
175.07545	3.7
177.05478	100.0
185.05971	4.1
187.03893	5.7
191.03378	4.7
191.07043	17.7
193.05019	4.6
201.05467	17.0
203.03432	3.9
203.07033	11.2
205.04951	3.0
207.02959	2.8
217.05032	4.5
217.08591	2.0
219.06548	21.9
221.04611	4.3
221.08104	45.0
229.05086	11.4
231.06500	9.8
235.09671	3.4
245.04488	4.0
245.08110	8.0
247.06064	56.6
257.04501	4.0
263.09116	3.0
265.07172	14.2
267.04984	8.1
273.04349	1.8
273.07663	5.6
275.05588	10.6
283.06259	2.3
289.07065	8.7
291.08633	14.1
293.06555	6.3
299.05438	3.4
317.06583	85.9
318.06778	2.0
324.06012	2.1
335.07614	12.1
345.06046	16.2
356.44272	1.8
363.07101	17.2
381.30991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47046	0.9
55.60365	0.8
56.77740	0.8
61.07306	0.9
67.05496	1.5
69.03088	1.0
69.03439	11.4
70.05746	1.8
70.06141	1.6
79.05482	1.7
79.60051	0.9
81.07084	1.5
84.28769	1.0
91.05487	3.8
93.07048	1.6
93.74706	0.9
95.08642	1.3
97.02899	77.7
97.06512	1.5
98.21476	1.2
105.07033	8.1
109.41409	0.8
114.09158	1.4
117.07017	3.2
119.08608	1.2
121.06537	1.3
121.17289	0.9
123.18726	0.9
129.07018	0.9
131.08607	4.4
132.05733	0.8
132.09337	2.9
133.10141	100.0
134.10571	0.8
141.07121	1.1
145.06514	1.7
145.10085	4.2
147.11662	1.1
157.10136	1.8
159.08035	2.3
161.09654	1.1
173.09613	5.8
174.10460	4.7
175.07486	1.8
175.11249	3.1
183.11694	1.2
187.07587	5.2
187.11208	3.5
201.09108	13.7
202.09897	22.4
203.10684	26.4
207.11646	1.3
210.14905	1.3
210.39558	0.9
211.11208	1.1
215.10710	2.2
219.10167	2.5
220.10971	16.1
221.11772	3.2
221.18634	0.8
225.12674	1.5
229.12268	3.4
233.11731	10.0
237.40614	1.0
251.12759	1.4
253.12289	3.1
255.13847	1.3
281.11758	5.9
299.12778	9.9
311.05133	1.2
317.13855	24.0
354.07028	1.6
382.06174	2.4
383.10895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1127
Annotation	Artonin K
Peak:m/z	Relative Intensity
55.01857	0.8
55.05506	1.4
56.15221	0.5
57.03437	0.8
59.33804	0.5
59.44459	0.6
65.03928	0.9
67.05509	3.7
68.99795	1.3
69.03429	1.6
69.07076	0.9
69.80599	2.6
71.04982	0.8
79.05485	1.8
81.07067	3.9
83.08622	0.6
85.06606	0.6
91.05476	2.4
93.07044	2.7
95.04941	1.0
95.08605	4.0
97.02893	1.3
97.06524	2.4
99.00809	1.0
99.04469	0.7
105.07015	3.7
107.08613	2.0
109.06470	0.8
109.10162	2.5
112.01615	1.4
115.05488	0.6
115.56226	0.6
117.07032	0.6
119.08599	3.4
121.10146	1.6
123.11676	1.1
127.00286	1.6
128.06197	1.2
129.06990	1.6
131.08548	1.5
133.10158	1.7
135.11766	0.7
139.00253	0.7
140.01088	0.6
141.07010	3.5
141.96497	0.5
143.08589	1.4
145.10139	1.9
147.11690	5.6
152.06178	0.8
153.07016	3.8
154.02623	1.4
154.07788	0.8
155.08568	2.1
157.06448	0.8
159.11635	1.2
161.05962	1.2
161.13350	1.0
166.99776	0.8
167.99202	1.1
168.00562	15.8
169.01341	13.8
169.04938	1.5
169.06456	2.3
171.08043	1.3
173.05969	2.4
173.13295	0.7
177.01797	0.7
181.04991	0.9
181.06499	5.3
182.07292	4.2
183.02904	34.1
183.08083	2.5
185.00856	1.0
185.06020	2.3
186.01620	7.1
187.07535	5.8
188.08353	2.1
194.02158	0.8
195.02888	1.6
195.08020	0.7
198.06746	0.7
199.07576	5.9
200.08345	1.7
201.09102	1.9
203.06940	0.6
203.18011	5.8
209.05898	1.0
209.62233	0.6
213.05553	1.3
223.07581	0.7
225.09152	0.8
227.07013	7.1
229.08490	0.9
234.06812	0.8
237.05580	0.5
237.09091	0.6
240.59198	0.7
241.08466	0.9
249.11263	0.6
251.07002	1.0
263.07043	0.8
276.07690	0.7
277.08585	2.1
279.06516	1.8
281.07895	0.6
282.05188	0.9
283.05887	1.1
285.03925	3.7
293.08066	1.3
294.08734	1.6
295.06067	1.3
297.07642	1.7
298.05008	0.7
298.08331	0.6
304.07318	1.0
305.08060	1.2
307.05853	3.2
309.03970	1.0
309.11276	0.9
310.04578	0.8
311.05499	2.0
311.09424	0.7
313.03421	3.8
313.06808	1.2
321.07642	2.5
322.08359	4.3
325.07214	1.4
326.04092	2.7
326.07526	0.6
327.04825	0.9
328.05716	2.4
329.06500	0.8
332.06839	0.7
333.07602	1.2
335.05499	5.8
336.06027	0.9
337.10648	2.8
339.04999	3.4
340.05743	1.3
340.09424	1.7
341.06631	2.3
349.07089	2.0
350.07892	8.7
351.08472	0.9
353.06592	8.1
354.07205	0.8
355.11813	6.5
365.10217	7.7
365.23215	0.8
367.08112	0.9
368.08801	3.7
379.64188	0.6
383.11243	100.0
384.11658	2.4
388.20615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1578
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.89022	0.2
53.58185	0.2
56.96556	0.2
60.32038	0.2
66.94353	0.2
67.52118	0.2
69.03416	0.5
70.06579	0.6
70.08947	0.8
73.02905	0.2
74.06086	1.1
76.61614	0.2
76.76802	0.2
83.37324	0.2
84.08139	0.3
85.02892	0.8
86.09709	0.4
91.05449	0.3
98.09716	0.4
98.20860	0.3
98.97600	0.4
115.56448	0.3
127.03964	0.3
147.04454	0.8
199.93709	0.3
215.67381	0.2
217.10506	10.1
233.02686	0.8
233.15050	1.2
234.98911	0.5
247.01877	0.3
248.15288	0.3
275.15936	0.3
313.41354	0.2
379.15775	100.0
380.16296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.7
57.07079	95.4
59.05004	35.2
68.55099	1.6
69.07063	3.9
69.30305	13.3
71.08636	100.0
73.36652	1.7
80.91656	1.6
83.08620	3.4
85.09666	4.0
85.10187	83.3
89.06026	34.3
99.11732	11.1
107.07089	4.1
111.11720	2.3
114.94847	1.7
117.09132	7.2
133.08633	8.5
134.10509	1.8
141.16380	10.5
147.10182	7.1
151.09712	9.1
155.17940	3.7
165.11197	3.0
177.11232	2.1
195.12289	14.0
199.20612	18.5
205.14215	2.5
209.13890	5.1
231.37633	1.7
257.24640	11.5
307.50146	1.9
363.31094	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96796	1.3
58.43326	1.0
61.74534	1.1
71.14857	1.2
71.15185	1.8
73.47849	1.1
78.77293	1.1
99.68057	1.0
201.01616	3.1
219.02721	1.6
248.40999	1.2
381.07968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08208	1.6
55.01875	7.6
60.91885	1.6
61.52305	1.8
66.82645	1.5
68.99783	4.0
69.03431	3.7
69.16810	1.6
69.50336	11.4
71.01359	17.3
79.81935	1.4
81.07037	1.8
91.05459	1.8
92.42506	1.8
94.92849	1.6
97.02909	12.5
105.07043	4.2
109.02892	5.5
119.04930	1.7
123.04461	15.4
125.02342	3.5
126.03136	4.3
127.03926	100.0
131.04945	5.0
133.06512	10.3
147.04417	5.4
149.02316	4.9
149.05988	2.4
157.06522	2.0
161.05998	6.7
163.03920	2.4
173.06003	2.3
175.03928	2.3
177.05475	60.4
191.03445	4.4
191.07072	6.4
192.04294	3.3
193.05063	2.3
201.05479	4.8
203.07066	6.7
217.08728	2.0
219.06593	7.2
221.08148	5.4
229.04993	23.2
231.06635	2.1
245.04555	2.1
245.08105	5.6
247.06053	56.3
248.06459	2.2
265.07092	11.3
273.07700	9.3
275.05511	4.0
289.07153	4.1
299.05545	6.9
317.06573	51.5
327.04837	2.5
335.07672	18.7
345.06027	7.2
363.07227	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	377.1463
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
50.18150	0.6
53.03939	1.9
57.03450	7.9
61.02922	3.0
63.87702	0.6
69.03447	13.0
69.60912	3.2
71.01356	2.8
71.05009	3.7
73.02917	1.4
74.67271	0.7
75.04477	2.2
81.03433	3.4
82.55944	0.7
85.02912	1.1
99.04469	3.8
117.05476	1.1
118.97721	0.6
137.06079	0.8
138.79501	0.6
143.49516	0.8
145.07623	2.2
170.07108	1.0
172.08731	25.4
190.09697	1.6
197.12872	1.4
198.06639	7.6
200.08174	4.9
216.07716	16.0
243.08817	69.6
244.07095	0.7
244.09180	0.9
359.13507	2.9
363.19180	0.8
377.14575	100.0
378.14996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1789
Annotation	Pro Phe Asn
Peak:m/z	Relative Intensity
50.14582	0.3
51.12281	0.3
54.99274	0.3
55.05487	0.5
57.03434	0.4
60.27550	0.3
67.05472	0.3
69.03426	0.7
70.06573	1.2
71.05015	0.5
71.51787	0.5
71.52177	0.4
72.08141	0.5
77.87959	0.3
79.05492	0.6
81.03423	0.6
81.07080	0.7
82.06516	0.3
83.04990	0.8
84.08162	0.5
85.02908	0.7
85.06540	0.4
86.09691	0.6
87.04515	0.4
91.05479	2.9
93.07037	0.6
95.08617	0.5
97.02883	0.8
97.06544	0.6
107.08624	0.6
109.02898	0.4
109.06516	0.5
116.76976	0.3
119.04939	0.3
120.08089	0.4
121.06548	0.5
121.10141	0.6
123.08073	0.4
125.06007	0.8
127.03931	0.7
137.06015	1.6
149.09592	0.4
152.05721	0.7
157.07651	0.4
164.07082	0.4
167.10634	0.5
181.08614	0.4
185.08203	0.4
197.03336	0.4
215.10532	0.5
215.12564	7.1
219.01753	0.6
257.13556	0.5
359.16589	0.4
377.17853	100.0
378.18161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83061	0.6
61.02935	0.9
69.03419	2.0
70.06589	2.2
71.04979	0.8
71.50443	0.9
72.08183	1.3
73.02925	0.8
81.03411	1.0
84.08136	0.9
85.02908	6.1
86.09744	0.9
91.05480	2.8
94.04201	0.6
95.04974	0.9
97.02892	1.8
98.09702	14.5
98.97577	1.0
109.02901	1.6
119.04958	2.6
122.02787	1.1
122.03664	1.9
123.04445	0.9
127.03931	3.5
128.04263	1.9
129.04466	0.7
131.04922	0.9
137.05988	100.0
138.06380	0.9
140.04694	1.0
142.08621	0.8
144.10207	6.8
147.04410	7.3
150.28523	0.7
163.07553	1.9
170.37845	0.6
175.07481	0.8
181.08618	11.4
192.21683	0.8
199.06129	1.3
213.09348	0.7
233.02667	1.2
239.09229	0.8
252.12486	0.8
270.13419	1.0
288.14462	2.0
289.10818	0.7
378.21252	9.4
379.07004	0.7
379.15778	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11629	3.1
53.03948	7.3
55.01900	4.3
55.05508	14.7
57.07071	7.1
67.05222	3.4
67.05516	32.0
69.07069	12.9
69.85388	18.2
79.05501	32.7
79.64887	3.8
81.07061	48.2
81.19255	3.0
91.05486	66.0
93.07053	76.5
95.04965	37.8
95.08620	33.2
97.06533	9.3
98.20789	4.5
101.06004	3.9
103.05465	6.0
105.07040	100.0
105.18890	3.9
106.14641	3.1
107.08606	38.6
109.06544	9.1
109.10156	15.2
112.24965	3.2
115.05460	5.3
117.07059	18.0
119.08592	82.8
121.06499	13.6
121.10159	58.3
123.08075	8.0
123.11720	3.5
126.59671	3.8
128.06224	7.0
129.07040	16.4
130.07802	10.0
131.08580	41.3
133.10146	38.4
135.11710	12.9
141.06985	5.4
142.07793	20.1
143.08598	30.7
144.09325	12.7
145.10127	50.3
147.08098	3.5
147.11707	18.6
155.08548	9.4
156.09396	8.9
157.10153	42.7
158.10934	6.3
159.08052	4.4
159.11723	29.3
161.09650	13.6
161.13274	6.3
165.07104	3.4
167.08629	7.4
168.09335	4.6
169.10149	21.9
170.11011	5.0
171.11668	16.6
173.13341	17.5
175.11140	5.1
175.14812	9.8
180.09361	5.5
181.10161	6.4
183.11723	11.0
185.13231	5.3
187.11192	4.5
187.14850	11.9
193.10135	6.1
195.11736	9.4
195.26376	3.8
197.13277	12.9
199.14864	6.3
201.16489	3.5
208.12691	4.5
209.13260	11.2
211.14799	6.9
223.14772	6.7
232.56161	3.5
282.83060	4.1
292.29886	3.4
375.26578	17.7
375.36920	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
54.98218	2.8
55.01862	3.4
55.05517	100.0
55.22896	2.6
56.12317	2.4
57.03428	9.3
57.07069	4.8
65.20187	2.6
67.05512	21.6
69.07069	11.3
69.46852	5.5
69.47254	12.9
71.08619	3.0
79.05505	30.6
81.07060	41.4
82.00278	2.9
83.04982	2.9
83.08627	59.4
91.05485	44.7
93.07051	49.7
95.04973	16.1
95.08622	32.8
97.06551	5.3
98.20779	6.4
105.07043	64.9
107.08605	35.0
109.06504	10.8
109.10161	18.0
117.07027	16.7
119.08607	57.2
121.06496	9.8
121.10156	44.2
123.08022	4.6
123.11699	3.8
128.06194	5.7
129.06985	8.4
130.07809	6.4
131.08592	31.1
133.10144	33.0
135.08058	4.5
135.11737	16.3
140.76331	2.9
141.06984	3.4
142.07776	7.7
143.08563	23.7
144.09334	3.2
145.10141	41.2
147.10695	3.8
147.11687	18.7
149.09639	4.1
155.08585	5.2
156.09386	3.9
157.10159	23.5
158.10844	4.1
159.11707	29.3
161.09612	7.3
161.13298	7.6
163.11203	4.8
169.10152	10.4
170.10895	3.2
171.11694	9.2
173.13283	12.2
175.11192	5.1
175.14848	7.1
181.10181	5.2
183.11722	7.2
185.09668	3.0
185.13316	15.7
187.14795	7.0
193.10091	2.7
195.11778	6.2
197.13339	6.1
199.14786	3.8
201.16396	8.9
203.14320	9.4
209.13374	5.8
211.14868	4.0
219.17453	32.7
223.14648	3.6
239.17940	4.7
257.19067	12.9
275.20105	55.7
303.23212	6.7
357.27960	13.1
375.26904	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	375.2897
Annotation	15-HTPE
Peak:m/z	Relative Intensity
53.03947	1.5
55.05515	17.2
56.42973	0.5
57.07084	7.3
65.03933	0.8
67.05140	0.8
67.05509	17.4
69.07076	32.2
69.73643	2.7
71.08629	3.0
79.05501	6.4
81.06588	1.2
81.07066	22.5
83.04980	1.2
83.08631	19.6
83.09130	1.1
85.10194	1.4
91.05486	7.3
91.97715	0.6
93.06480	1.3
93.07054	21.9
95.04990	1.2
95.08617	100.0
95.41257	0.6
97.02907	4.1
97.06606	0.9
97.10175	10.0
103.75458	0.6
105.07040	11.3
107.05035	0.7
107.08609	25.7
109.06535	1.2
109.10164	18.3
111.04438	0.7
111.11720	4.2
117.07002	3.1
119.08598	10.3
121.06490	0.7
121.10152	18.5
123.08076	1.1
123.11724	14.1
125.13297	2.1
128.06223	0.9
129.06996	2.3
131.08575	8.3
133.06535	1.5
133.10144	6.1
135.04453	1.8
135.08087	1.1
135.11697	15.0
137.09602	0.6
137.13268	11.7
139.14839	2.3
142.07788	1.6
143.08549	4.5
145.06497	1.4
145.10149	9.4
147.04430	1.3
147.08070	2.0
147.11681	9.3
149.05995	2.0
149.09659	1.6
149.13269	13.4
151.07520	1.0
151.14868	3.6
155.08586	0.9
157.10138	5.5
159.08046	1.0
159.11693	4.0
161.09651	1.7
161.13266	0.8
163.07552	1.3
163.11209	2.1
163.14799	3.3
165.16443	2.2
170.10898	0.8
171.08104	1.1
171.11688	3.9
173.09644	2.7
173.13264	3.6
175.07513	0.7
175.11267	0.8
175.14922	0.9
177.09149	1.3
177.12759	0.7
177.16394	5.8
179.17940	0.8
181.10110	0.8
183.11693	0.9
185.09683	1.6
185.13239	4.6
187.11142	0.7
187.14914	1.7
189.09132	2.1
191.10683	10.0
191.17947	4.0
199.11209	1.6
199.14841	4.1
201.12798	1.8
203.14401	1.0
205.12242	1.4
205.19487	1.4
213.12756	2.0
213.16415	0.7
215.14326	1.2
217.12283	1.6
217.15904	2.1
219.13837	6.2
227.14394	3.2
231.13847	7.6
233.15414	1.7
241.19582	0.7
245.15401	7.7
261.25809	3.3
270.13068	0.6
273.18417	1.3
287.20374	0.7
339.27081	1.4
339.32892	0.8
357.27905	37.6
358.28406	1.0
375.29086	1.0
393.19437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01867	6.4
55.05515	16.0
57.03442	9.0
57.07078	3.0
58.54721	1.2
59.04997	3.5
61.02929	10.3
62.02732	1.2
63.41534	1.1
67.05522	7.7
69.03438	37.2
69.07076	36.2
69.18364	13.2
71.05006	9.6
73.02922	6.6
79.05492	5.7
81.03423	16.4
81.07059	25.3
82.21773	1.2
83.04979	8.9
83.08623	8.7
85.02914	79.6
85.06094	1.6
85.06554	21.8
87.04483	8.1
91.03930	4.6
91.05467	2.1
93.07061	15.7
95.08615	38.5
96.74704	1.1
97.02303	1.6
97.02900	22.3
97.06532	5.0
97.10175	10.2
99.04451	5.9
99.07495	1.9
99.08099	23.0
105.07035	2.2
107.08613	26.5
109.02901	11.5
109.10157	16.1
111.08086	4.1
111.11727	7.1
113.09646	8.4
114.23423	1.2
115.03908	1.6
121.06509	1.3
121.10158	33.1
123.11728	11.3
125.09638	4.9
125.13293	2.5
127.03929	25.0
127.11162	1.6
135.11707	17.9
137.05998	2.5
137.13257	23.6
139.11188	7.8
145.04115	1.3
145.05008	15.9
149.13264	4.9
151.07484	1.4
151.14809	4.7
153.12784	10.9
167.07039	1.2
169.14310	1.2
170.33282	1.3
177.16406	100.0
187.27394	1.4
195.17467	40.8
213.18509	60.9
236.13680	2.1
325.41989	1.5
375.10406	4.5
375.23862	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	375.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
55.05513	5.5
57.03450	1.5
57.07096	1.5
57.08418	1.0
60.20576	1.0
67.05516	5.2
69.03436	5.7
69.07081	13.3
70.38757	1.9
70.39110	3.1
71.04998	3.4
79.05512	6.6
81.03444	3.4
81.07070	14.2
83.05010	1.4
83.08611	7.1
85.02921	9.9
85.06553	4.2
91.05511	4.9
93.07073	11.7
95.05005	1.7
95.08624	29.5
97.02918	3.8
97.10189	4.8
99.04453	1.6
99.08114	24.5
105.07053	3.9
107.08613	26.5
109.02910	2.4
109.10173	10.6
111.08115	7.8
113.09682	1.4
119.08570	1.2
121.02837	1.5
121.10167	45.2
123.08124	1.5
123.11734	1.4
125.09670	4.8
127.03943	17.1
133.10178	1.7
135.11717	11.6
137.05991	3.2
137.13295	6.3
149.13301	3.7
151.04019	1.5
167.07085	4.0
171.06001	1.1
177.16417	100.0
195.17493	21.7
200.08643	1.4
213.18530	39.5
357.13129	1.3
375.10495	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	375.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
55.05534	26.9
56.96553	4.9
57.07084	6.9
67.05515	30.4
69.03416	3.8
69.07076	15.7
71.52534	5.2
73.36214	3.7
73.46349	4.1
79.05500	34.9
81.03436	4.7
81.07064	50.7
82.04617	3.8
83.08617	7.7
83.86028	3.6
91.05489	52.9
93.07053	88.8
93.63766	3.9
94.93700	4.1
95.04980	42.0
95.08617	52.9
97.06534	13.2
100.18297	4.1
103.05524	4.7
105.04564	6.6
105.07043	100.0
107.08611	43.7
109.06542	12.5
109.10172	27.1
112.79034	3.7
115.05473	6.6
117.07028	22.2
119.08595	76.1
119.09373	6.6
121.06521	18.2
121.10147	78.5
123.08048	8.2
128.06242	8.0
129.07008	12.7
129.75397	3.6
130.07841	7.4
131.08560	45.0
133.06563	4.8
133.10114	37.2
135.08057	7.0
135.11707	11.2
141.07101	4.2
142.07784	16.0
143.08548	24.4
144.09340	7.5
145.10141	62.2
147.08023	5.1
147.11699	16.4
155.08621	13.0
156.09424	7.9
157.10152	42.9
159.11739	24.3
161.09677	9.5
161.13263	7.5
163.11192	4.9
168.09311	7.0
169.10085	20.4
170.10925	3.9
171.11707	18.4
173.13312	20.3
175.11179	4.9
175.14845	7.4
179.08635	5.2
181.10147	8.6
182.11000	5.3
183.11722	14.9
185.13248	9.2
187.11180	7.3
187.14844	11.1
193.10205	5.2
195.11812	9.1
197.13277	6.9
199.14908	7.8
209.13300	9.0
235.14774	5.4
247.96812	4.0
253.15770	5.1
299.61621	5.0
374.75754	5.0
375.26529	30.0
375.31088	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1078
Annotation	Eriostemin
Peak:m/z	Relative Intensity
53.03905	0.3
55.01843	0.3
55.05484	0.5
57.03408	0.3
67.05466	0.8
68.99776	0.3
69.03432	2.0
69.07021	0.7
79.05457	0.5
81.03420	1.5
81.07053	1.1
83.04942	0.3
85.02911	1.3
91.05441	0.7
93.06997	0.6
94.61880	0.2
95.04938	0.3
95.08559	1.0
97.02852	0.7
97.06509	0.5
99.04436	0.5
105.03311	0.3
105.06998	0.7
107.04927	0.5
107.08534	0.6
109.02839	1.1
109.10129	0.4
113.02344	0.4
117.03405	1.8
118.49936	0.3
119.04881	0.3
119.08516	0.4
121.06480	0.3
121.10080	0.7
123.04349	0.5
123.11658	0.3
127.03924	4.9
129.06920	0.2
130.04132	0.3
131.04880	0.3
131.08537	0.4
133.02849	0.6
133.10162	0.3
134.03595	0.7
135.08014	0.5
137.05931	0.8
143.04866	0.2
145.02783	0.5
147.04306	0.4
148.05188	1.7
149.05937	1.0
151.03909	0.8
153.01866	0.3
159.04362	0.3
161.05899	0.3
162.06795	0.5
163.07466	0.4
165.09142	0.2
167.07013	0.8
167.08334	0.3
169.01332	3.3
171.04277	0.2
172.05180	0.3
175.03871	0.8
175.07452	0.5
175.14735	0.2
177.05423	1.0
181.01213	0.5
183.02800	0.5
183.04361	0.3
189.05635	0.2
190.06212	0.4
192.04117	0.5
196.00040	1.0
197.00798	0.5
211.02315	0.4
211.04037	0.3
213.03775	0.3
214.01059	0.9
217.05003	0.3
218.05707	1.4
229.05066	0.3
230.05786	0.4
231.02902	0.3
243.06537	0.7
245.04539	0.4
246.05180	1.0
256.03632	0.7
257.04489	0.7
267.02893	1.3
269.11694	0.3
271.05905	1.3
273.03894	0.7
274.04694	1.3
281.04483	0.4
282.05176	0.3
283.05975	1.0
284.03238	1.5
285.03909	0.9
287.05203	0.3
289.06921	0.5
295.02347	1.0
296.06952	0.4
298.04626	0.5
299.05527	3.2
301.03415	0.3
302.04211	8.7
311.63266	0.2
312.02658	1.5
313.03351	1.2
313.07053	1.4
314.07803	0.9
315.04910	0.3
316.05704	0.5
317.06549	10.0
325.07089	0.5
327.05011	17.2
328.05698	0.6
329.06433	0.9
330.03705	5.8
331.04285	0.3
331.08124	0.4
341.06345	1.1
342.07330	3.3
343.08069	0.6
345.06055	63.4
346.06433	1.0
357.06000	0.4
357.13541	0.3
359.07578	0.4
360.08392	14.3
375.10751	100.0
376.11063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.05510	4.4
67.05496	2.8
69.03437	4.4
69.07077	10.3
70.38475	3.1
70.38824	4.4
71.04979	3.1
79.05485	3.5
81.07055	12.8
83.08601	4.1
85.02894	8.5
85.06557	2.5
93.07043	6.1
95.08614	17.7
97.02913	2.0
97.10162	3.7
99.08109	12.3
105.07005	4.9
107.08597	21.7
109.02853	3.0
109.10170	6.3
111.08057	6.9
119.98899	2.1
120.60672	2.0
121.09338	2.8
121.10150	34.8
125.09648	4.1
127.03899	9.4
135.11684	6.7
137.05907	2.9
137.13213	6.6
149.13321	4.0
166.81033	1.9
167.07057	3.0
177.16397	100.0
195.17444	18.8
213.18500	33.8
257.02887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1078
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.75265	0.3
54.11947	0.3
55.05505	0.5
56.06683	0.3
67.05496	1.0
68.99808	2.0
69.03430	0.5
69.07072	0.4
70.10154	0.8
79.05502	2.3
81.03403	0.5
81.07053	1.1
81.93175	0.3
85.02935	0.6
91.05486	2.3
93.07039	1.0
95.04967	0.4
95.08624	1.4
103.05465	0.4
105.07032	1.0
107.04950	0.5
107.08609	0.5
109.06526	0.4
109.10174	0.6
111.37831	0.3
112.01594	0.3
117.07029	0.5
119.04909	0.7
119.08617	1.5
121.10183	0.9
123.04437	0.4
127.03927	0.9
129.07098	0.3
131.04929	0.5
132.05769	0.4
133.06494	0.8
133.10100	0.3
134.03702	0.3
135.04396	0.7
139.00264	0.7
146.03561	0.4
147.04424	1.6
149.05988	0.8
151.07629	0.3
153.01862	0.8
159.04453	0.5
160.05302	0.4
161.05971	1.4
162.06784	0.8
163.03911	1.6
163.07449	0.3
164.04688	1.6
165.01828	0.6
166.99821	0.6
167.07059	0.5
168.00562	1.4
169.01331	3.4
173.06020	0.7
177.05525	1.7
178.06288	3.7
179.03471	0.4
179.07059	1.1
181.01448	0.3
181.04977	0.4
182.02170	0.6
183.02861	1.3
185.00833	1.6
185.05975	0.6
186.01605	0.9
191.03568	0.3
191.07031	1.0
192.07722	0.4
193.01340	0.5
193.08617	1.8
198.01648	0.9
199.07683	0.3
201.05574	0.3
213.05548	0.5
217.05020	0.4
222.20645	0.3
225.05588	0.4
227.03305	0.3
229.04977	1.3
231.02798	0.5
232.03703	0.5
233.04546	0.5
243.06572	0.8
245.04445	0.6
246.05295	1.3
247.06015	0.3
253.05038	0.9
255.06609	0.3
256.03690	0.4
257.04486	2.8
259.02390	6.2
263.05649	0.3
267.06635	0.5
268.07355	0.5
269.04553	0.6
270.05081	0.5
271.06036	3.4
274.04752	0.6
275.05554	0.5
278.05722	0.3
281.04382	0.5
283.05994	0.6
284.03168	0.6
285.03998	4.0
285.07318	0.4
285.14938	0.3
286.04715	0.8
287.02069	0.6
287.05371	0.6
289.07080	0.8
295.06155	0.4
296.03622	0.3
296.06851	0.9
297.04208	0.3
297.07639	0.3
298.04620	0.3
298.08240	0.4
299.05472	3.3
300.02594	1.0
301.04102	0.3
301.07144	2.1
302.04254	3.1
311.05734	1.4
313.03458	3.6
313.07144	1.2
314.04147	1.2
314.07593	0.6
315.05017	0.5
315.08572	0.5
316.05783	0.9
317.03177	0.6
317.06589	8.0
324.06268	2.2
326.07965	1.6
327.05023	4.6
328.05798	1.1
329.06577	6.5
330.03705	1.0
330.07202	0.6
331.08261	0.8
341.06601	1.1
342.07349	4.3
343.07928	0.3
344.05270	0.4
345.06076	24.5
359.07590	1.5
360.08426	8.6
360.13043	0.3
375.10764	100.0
376.11234	1.9
379.55719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1072
Annotation	Eriostemin
Peak:m/z	Relative Intensity
52.31702	0.1
63.04524	0.2
64.44383	0.2
65.96552	0.2
68.99788	0.2
69.03409	0.2
69.88326	0.5
81.03391	0.2
85.02885	0.3
89.03919	0.3
103.05440	0.2
104.24858	0.2
109.02831	0.2
117.03379	1.4
125.09839	0.2
127.03922	0.8
130.82713	0.2
133.02834	0.4
134.03609	0.6
137.05965	0.4
145.02863	0.2
147.04408	0.3
148.05202	1.3
149.05974	0.7
151.00252	0.2
151.03893	0.6
157.02826	0.2
161.02344	0.3
161.06007	0.4
162.06760	0.4
163.07579	0.2
165.01767	0.2
168.00519	0.2
169.01331	2.8
175.03952	0.5
177.05460	0.2
183.02905	0.6
192.04218	0.3
196.00053	0.7
197.00775	0.9
197.04417	0.4
200.04646	0.2
201.05476	0.3
211.02347	0.5
211.04094	0.3
212.04669	0.2
213.05534	0.2
213.46550	0.2
214.01056	0.5
215.07051	0.3
217.04898	0.2
218.05746	1.3
228.04213	0.3
229.05022	0.3
230.05716	0.5
231.02921	0.3
239.03288	0.4
243.06450	0.5
245.04552	0.3
246.05190	0.7
253.04922	0.3
256.03690	0.7
257.04431	0.4
261.07550	0.3
267.02875	1.2
271.06177	1.1
273.04007	0.5
274.04703	1.3
281.04434	0.2
283.02722	0.2
283.06058	0.6
284.03192	1.6
285.03922	1.1
285.07285	0.4
285.10718	0.2
287.05450	0.3
289.07080	0.7
295.02560	1.0
296.06946	0.4
297.07413	0.3
298.04703	0.6
299.05490	2.8
302.04202	8.0
310.04877	0.3
312.02808	1.6
312.06155	0.3
313.03384	0.9
313.07104	1.5
314.07913	0.9
315.05072	0.3
315.08545	0.2
317.06567	9.8
324.06372	0.3
325.06976	0.3
326.04309	0.2
327.05005	16.7
328.05667	1.1
329.06592	0.6
330.03741	5.5
331.07999	0.6
341.06671	1.0
342.07370	2.8
343.08188	0.5
345.06058	58.8
346.06400	0.8
360.08426	11.2
375.10742	100.0
376.11221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1075
Annotation	Bonanzin
Peak:m/z	Relative Intensity
69.03416	0.8
69.14310	0.9
69.14737	1.3
73.02917	0.3
81.03407	0.8
81.07044	0.3
85.02914	0.6
87.37591	0.2
89.03916	0.4
91.05504	0.2
97.02863	0.4
97.10890	0.2
98.21503	0.5
99.04452	0.3
99.34369	0.2
107.04944	0.2
109.02881	0.7
113.02349	0.3
115.03889	0.2
117.03416	1.3
121.10110	0.2
123.04442	0.3
127.03914	2.0
133.02873	0.7
134.03632	0.7
137.05977	0.8
139.00238	0.3
147.04460	0.4
148.05206	1.3
149.05997	0.4
151.03923	0.6
162.06847	0.4
167.07011	0.5
169.01349	2.6
172.05168	0.3
175.03903	0.3
177.05472	0.3
181.01321	0.3
183.02997	0.4
192.04239	0.4
194.07224	0.3
196.00053	0.6
197.00864	0.6
202.92017	0.2
203.03363	0.3
211.02303	0.5
211.04027	0.2
214.01085	0.7
215.07068	0.3
217.05023	0.3
218.05765	0.8
228.04109	0.4
229.05087	0.5
230.05786	0.6
239.03377	0.2
240.04156	0.3
243.06644	0.7
246.05254	0.6
256.03717	0.3
257.04565	0.6
261.07693	0.3
267.02866	1.5
271.06015	1.0
273.03998	0.5
274.04742	1.0
275.13315	0.2
281.04443	0.4
283.06030	0.4
284.03149	1.3
285.04095	1.1
285.07025	0.2
285.10922	0.4
287.01874	0.4
287.05460	0.3
289.07162	0.8
295.02435	0.7
296.06927	0.3
297.04224	0.2
297.07520	0.4
298.04822	0.4
299.05524	3.4
302.04233	8.3
312.02628	1.9
313.03525	0.8
313.07074	1.7
313.10379	0.3
314.07895	0.8
315.05151	0.3
316.05597	0.3
317.06586	9.3
324.06360	0.5
327.05020	17.0
328.05817	0.7
329.06506	0.7
330.03720	6.0
331.08008	0.4
341.06653	0.8
342.07330	3.6
343.08093	0.5
345.06073	58.7
346.06451	0.6
357.09308	0.3
359.07529	0.5
360.03851	0.3
360.08429	10.6
375.10754	100.0
376.10928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1077
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.03902	0.3
52.48822	0.2
52.80452	0.2
53.85406	0.2
55.01853	0.2
55.14452	0.2
57.03457	0.3
67.05499	0.7
68.99797	2.1
69.03432	0.7
69.07079	1.7
69.64493	0.2
70.56918	0.6
70.57272	0.3
71.04966	0.3
79.05496	0.3
81.03413	0.9
81.07057	0.6
84.56890	0.2
85.02890	0.5
91.05479	0.4
93.07050	0.7
95.08598	0.5
99.79382	0.3
105.07053	0.5
107.04947	1.1
109.02874	0.4
118.13622	0.2
119.04965	0.3
125.02349	0.3
127.03907	0.8
131.04953	0.4
133.06508	0.4
135.04416	1.0
137.09625	0.5
139.00266	0.9
146.17850	0.2
147.04410	0.4
147.18948	0.2
149.05980	0.7
151.07545	0.6
153.01839	3.3
153.05435	0.8
154.02591	0.4
161.06004	1.0
162.06752	0.9
163.03929	3.5
164.04710	2.9
165.01814	0.5
165.09126	0.6
166.99785	1.9
167.07057	1.1
168.00558	2.9
169.01337	3.8
175.04010	0.3
177.05472	0.8
178.06261	10.8
179.03381	0.5
179.07040	3.1
180.77301	0.2
181.05069	0.3
182.02095	3.0
183.02910	1.0
185.00844	3.3
186.01642	1.1
191.03380	0.3
191.07050	1.9
192.07822	0.5
193.01428	0.4
193.08606	4.0
194.02110	0.3
200.03127	0.6
201.05496	0.5
203.03384	0.4
205.05070	0.5
207.06519	0.3
208.03683	0.4
209.04506	0.4
213.05673	0.3
215.03296	0.4
215.06927	0.3
219.06543	0.8
221.04526	0.3
225.05499	0.4
229.04973	0.5
243.06503	0.5
245.04433	0.6
246.05199	1.9
253.04947	0.4
256.03680	0.4
257.04559	1.5
258.05228	0.9
259.02393	0.4
261.07440	0.3
267.02808	0.4
270.01538	0.3
271.06122	1.2
273.07617	0.3
274.04770	1.4
283.06204	0.5
284.03293	0.6
285.03940	3.7
287.01923	2.1
289.07080	2.1
290.07828	0.3
293.24890	0.2
296.06894	0.3
298.01102	0.4
298.04620	0.3
299.02341	0.3
299.05542	3.4
300.06207	0.3
301.07114	0.7
302.04239	2.0
311.05643	0.4
313.03470	2.4
313.07056	0.6
313.10788	0.3
313.14240	0.4
314.04163	1.6
314.07861	1.1
315.01331	1.8
315.08643	0.7
317.06619	7.9
319.11835	0.4
324.06265	1.0
327.05032	6.9
328.05731	0.9
329.06583	10.0
329.10510	0.6
330.03671	4.1
330.07428	0.4
331.08145	0.5
342.07376	3.8
343.08142	0.4
345.06073	31.3
347.11285	0.4
357.13315	0.6
359.07666	1.2
360.08414	15.4
375.10760	100.0
376.11072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01862	0.6
57.03428	0.6
57.72094	0.2
58.84915	0.2
61.02944	0.3
68.99773	0.2
69.03439	2.5
70.43949	0.4
71.04984	0.4
73.02915	0.5
75.34682	0.3
75.96933	0.2
81.03422	2.9
85.02915	4.0
87.00829	2.0
97.02911	1.4
99.04463	0.8
101.00906	0.3
105.01875	0.8
109.02893	2.9
114.06774	0.2
115.03884	0.2
116.81365	0.2
117.01865	0.8
119.01977	0.2
127.03926	100.0
128.04263	0.6
129.01839	0.3
144.13332	0.2
145.04962	1.2
147.02893	0.2
159.02901	1.7
213.03995	0.2
231.05074	0.3
285.76111	0.2
298.26636	0.2
301.97205	0.2
375.13153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01870	0.9
57.03442	0.3
59.38511	0.2
63.33161	0.2
64.86680	0.2
69.03439	1.9
69.43991	0.2
71.04999	0.3
71.15145	0.2
71.15485	0.2
73.02918	0.6
78.76865	0.2
81.03433	2.9
85.02914	3.9
87.00836	1.5
91.03971	0.2
97.02900	1.7
99.04465	0.9
99.85537	0.2
105.01884	1.3
109.02888	2.3
117.01864	0.4
127.03933	100.0
128.04289	0.7
128.85030	0.2
129.01855	0.4
133.06947	0.3
145.04953	1.1
147.02919	0.3
159.02907	1.8
209.43904	0.2
213.04019	0.3
231.05037	0.6
375.09296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1074
Annotation	Eriostemin
Peak:m/z	Relative Intensity
54.10281	0.2
68.36864	0.2
69.58515	0.2
71.27612	0.4
73.86795	0.2
85.02856	0.3
89.03907	0.5
92.04292	0.2
100.54643	0.2
105.03392	0.3
113.02335	0.4
117.03369	1.1
133.02846	0.6
134.03624	0.5
137.02290	0.2
137.99854	0.2
147.04372	0.2
148.05220	1.4
149.05977	1.0
151.03894	0.4
151.95622	0.2
162.06755	0.6
168.00545	0.2
169.01326	3.3
175.03880	0.7
177.05406	0.4
181.01260	0.3
183.02895	0.9
189.05467	0.3
190.06302	0.5
193.01447	0.2
196.00011	0.6
197.00752	0.8
197.04366	0.5
200.04694	0.3
201.05472	0.5
211.02335	0.8
214.01070	0.7
217.05014	0.3
218.05775	1.0
228.04169	0.3
229.05031	0.3
230.05640	0.5
240.04291	0.3
243.06487	0.6
245.04393	0.4
246.05243	0.6
256.03644	0.5
257.04517	0.5
267.02960	1.2
271.06027	1.3
273.03995	0.6
274.04745	1.2
281.04398	0.3
282.05060	0.2
283.06055	0.8
284.03085	1.2
285.04047	1.2
285.07385	0.2
287.05386	0.3
289.07095	0.8
295.02399	0.8
296.06845	0.4
297.07440	0.4
298.04660	0.5
299.05508	3.5
302.04211	8.0
310.04770	0.3
312.02643	1.8
313.03442	0.7
313.07101	1.5
314.04449	0.3
314.07614	1.1
315.04919	0.3
315.08569	0.3
317.02881	0.5
317.06567	10.2
324.06351	0.4
327.05008	18.0
328.05618	0.9
329.02908	0.2
329.06494	0.7
330.03693	5.9
331.08179	0.5
341.06558	1.2
342.07306	3.5
343.08157	0.6
345.06067	58.7
346.06271	1.2
359.07587	0.4
360.03793	0.4
360.08395	12.2
375.10757	100.0
376.11148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	Eriostemin
Peak:m/z	Relative Intensity
53.03941	0.3
55.01861	0.3
55.05515	0.3
57.03421	0.2
67.05489	0.3
68.99777	0.5
69.03426	1.1
69.07070	0.3
70.14008	0.7
71.04977	0.3
79.05493	0.2
81.03416	1.1
81.07045	0.4
83.01353	0.2
83.04976	0.4
85.02915	1.1
87.00818	0.4
89.03928	0.4
91.05479	0.4
92.85975	0.2
93.07020	0.4
95.04961	0.2
95.08572	0.5
97.02894	0.6
97.06489	0.3
99.04446	0.4
106.86229	0.2
107.04910	0.4
107.08568	0.4
109.02893	1.2
111.04431	0.2
113.02402	0.3
117.03401	1.6
119.04926	0.2
119.08633	0.2
121.10128	0.2
123.04473	0.2
125.45303	0.2
127.03919	3.1
133.02892	0.5
134.03625	0.8
135.11554	0.2
137.05943	0.7
139.00255	0.3
143.04897	0.2
145.04982	0.4
147.04407	0.5
148.05206	1.2
149.05997	1.0
151.03870	0.7
159.04410	0.2
161.02266	0.3
161.06047	0.2
162.06793	0.4
165.05458	0.3
167.07106	0.3
169.01338	3.0
175.03891	0.9
177.05473	0.5
179.49420	0.2
181.01341	0.6
183.02887	0.5
183.04359	0.3
190.06255	0.5
192.04121	0.2
193.01247	0.2
194.99323	0.2
195.02861	0.3
196.00067	0.9
197.00777	0.5
197.04471	0.3
201.05479	0.2
203.03329	0.3
207.06290	0.2
211.02373	0.6
211.04031	0.2
213.03879	0.2
214.01093	0.6
215.06961	0.4
218.05763	1.0
228.04196	0.3
229.05002	0.4
230.05832	0.5
239.03513	0.3
243.03026	0.3
243.06554	0.8
246.05220	0.7
255.02930	0.3
256.03671	0.5
257.04468	0.5
267.02899	1.2
271.06134	1.1
273.03900	0.6
274.04800	1.1
281.04532	0.3
282.05054	0.3
283.05975	0.7
284.03192	1.1
285.03915	1.0
287.02060	0.3
289.07068	0.6
295.02484	1.0
296.06836	0.2
298.04568	0.4
299.05511	3.3
301.03305	0.2
302.04230	8.2
312.02667	1.4
313.03387	1.1
313.07086	1.8
314.07700	0.6
315.04886	0.3
316.05841	0.3
317.06580	9.2
324.06287	0.4
326.04205	0.2
327.05017	17.1
328.05716	0.9
329.06470	0.9
330.03745	5.7
331.08124	0.3
341.06534	1.4
342.07367	3.5
343.08072	0.8
345.06070	58.5
346.06357	0.9
357.13385	0.2
360.08405	11.4
361.08716	0.2
375.10754	100.0
376.11139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54620	0.5
57.95115	0.5
58.55584	0.5
63.21666	0.6
63.97303	0.5
67.05503	1.8
68.74384	0.5
69.71226	3.7
69.72066	0.5
79.05496	1.3
81.07056	0.8
89.67645	0.6
91.05493	2.7
96.08131	3.1
98.20762	1.0
98.98440	0.7
105.07027	2.5
115.05476	0.8
117.07030	14.5
119.04931	0.7
119.08590	9.0
124.07576	0.9
126.14471	0.6
129.06981	1.5
130.07730	1.0
131.08577	1.5
133.06461	0.7
136.07584	0.9
143.08592	4.5
145.06496	2.4
145.09012	1.1
145.10130	13.3
147.08054	2.5
147.11693	1.7
155.08582	5.9
157.08881	0.6
157.10161	2.0
158.07217	0.8
159.08066	0.9
160.11235	2.7
169.10164	2.3
171.11711	1.4
173.06012	6.9
173.08366	0.9
173.09630	3.6
181.10204	1.1
182.10954	1.0
183.11710	2.6
188.10754	3.3
192.09352	1.5
196.07632	1.0
197.13380	3.3
198.09221	0.7
200.10738	0.9
201.09065	1.5
205.43448	0.7
207.11655	0.8
210.10527	0.8
214.08701	1.4
216.10217	100.0
217.10634	1.1
225.12811	3.1
225.16324	0.6
228.10242	0.7
242.15506	0.8
244.10786	1.2
244.13351	24.4
252.13875	1.0
253.12181	3.7
253.16049	0.8
261.69800	0.7
268.13562	1.2
270.14914	36.0
281.15652	0.9
290.29593	0.7
298.18033	21.1
302.17529	73.2
303.17834	1.6
330.20660	63.4
331.21146	1.2
339.49762	0.6
372.63962	0.8
374.19659	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	374.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03430	0.7
61.02927	0.9
69.03418	2.7
70.27506	1.9
73.02911	0.9
81.03416	2.1
81.70662	0.6
85.02905	7.4
86.09715	0.6
87.00842	0.9
87.04443	0.9
89.06036	51.6
91.05475	1.1
97.02896	2.5
99.04482	0.5
107.07100	3.4
107.16316	0.5
109.02887	1.7
110.45313	0.6
110.65286	0.5
119.04988	2.5
124.03954	1.9
127.03926	37.3
127.26797	0.6
133.08614	19.0
145.04982	1.1
147.04425	5.3
151.09659	2.5
177.11227	4.3
195.12291	100.0
196.12663	1.0
198.07640	1.4
221.43005	0.5
224.07013	0.7
242.89561	0.6
252.06580	1.8
258.07706	1.0
270.07544	0.7
284.09155	3.2
289.16345	0.6
326.01013	0.5
330.09818	0.7
356.07590	2.0
374.08704	10.9
374.14127	1.6
377.60114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03439	3.0
57.40290	0.4
57.91199	0.4
69.03421	1.6
70.62436	1.3
71.01360	3.9
73.02924	5.4
75.04478	0.9
78.03450	5.0
80.05003	2.2
81.03421	0.8
83.01331	0.8
84.04483	0.4
84.08126	0.5
85.02914	12.3
85.17260	0.5
86.09725	0.5
87.00832	0.9
87.04480	0.5
89.02468	0.4
89.06059	2.8
95.01333	6.2
95.36786	0.5
96.04502	1.7
97.02893	1.6
98.97635	0.6
99.00830	1.6
99.04492	0.7
101.02392	2.3
103.03941	1.5
105.57733	0.4
106.02928	20.5
109.02894	0.8
113.02379	4.8
116.63235	0.4
119.04951	0.9
124.03960	99.7
125.04299	0.6
126.05499	0.4
127.03922	23.2
131.03409	2.0
133.08617	1.4
141.01825	11.0
143.98430	0.5
145.04909	0.5
147.04402	3.8
151.03940	0.4
154.52646	0.5
159.02928	2.9
174.95900	0.4
180.06564	16.5
195.12300	6.6
198.07626	100.0
199.07999	0.8
213.11356	0.5
266.84943	0.5
284.09140	1.1
374.10880	11.2
374.15198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00942	0.6
53.03938	1.9
55.01875	3.2
57.03434	2.6
61.02919	2.5
65.03938	2.0
68.99809	1.4
69.03436	16.2
70.06588	1.2
70.64668	1.9
71.04994	1.6
73.02924	2.9
81.03426	10.8
82.06597	1.5
84.04520	4.1
84.08141	0.8
85.02913	42.3
86.09711	20.1
87.00842	19.1
87.04472	0.7
90.03846	0.6
91.05491	100.0
92.05849	1.1
93.07082	1.0
95.05020	0.9
97.02899	14.7
99.04463	7.5
102.05573	3.3
103.03952	1.4
105.01877	29.4
105.07048	2.1
106.89516	0.6
107.08607	0.7
108.04498	1.8
108.08174	0.6
109.02889	12.9
109.06543	0.6
109.10146	1.1
115.03978	0.9
117.01871	1.4
117.07050	1.1
119.08575	0.8
120.08112	0.6
126.05495	1.1
126.32128	0.6
127.03932	34.0
129.01872	1.9
129.07007	0.8
131.08611	0.9
132.10225	8.1
133.06531	1.3
137.06021	1.0
144.08154	0.9
145.04968	17.8
145.06259	0.9
145.06502	1.2
147.02924	1.6
151.50333	0.6
154.06497	1.1
157.06512	0.6
158.08403	0.7
159.02907	7.3
170.11812	0.8
171.08076	1.2
175.07520	1.1
177.09192	1.2
181.06473	1.0
182.05978	0.7
188.07176	2.3
189.03937	3.3
193.58275	0.7
194.11745	0.7
195.06586	1.3
197.12819	4.2
199.07611	1.8
212.07190	1.4
212.12839	0.6
213.03964	1.9
214.08672	1.4
215.13948	7.2
217.08647	1.4
225.12486	1.7
230.06636	1.2
231.05026	10.5
231.11267	0.7
243.13451	3.3
248.07637	1.0
249.06125	2.5
283.15027	0.6
321.09879	1.8
330.13257	0.9
375.07278	0.6
392.29440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76303	0.4
53.03938	0.8
54.51937	0.5
55.01877	0.6
57.03422	1.3
59.90660	0.5
61.02916	1.4
63.02371	0.6
69.03438	3.1
69.37984	2.3
69.38391	1.3
70.06586	1.3
71.04967	0.9
73.02911	0.8
81.03403	2.0
84.08167	0.8
85.02444	0.9
85.02917	13.9
86.09702	1.0
87.04475	0.8
89.03931	4.0
91.05475	0.9
91.28957	0.5
93.07048	0.7
97.02898	5.0
98.20746	0.9
99.04466	0.8
103.85516	0.5
107.04929	0.7
109.02870	1.3
117.03386	14.1
121.06511	0.6
127.03974	3.2
134.03621	1.5
135.04430	1.1
135.10693	0.4
145.02863	41.1
145.04942	3.8
147.04413	0.5
149.05992	6.5
153.05493	1.2
162.03085	0.6
163.03932	3.8
163.06110	0.6
163.07611	0.6
164.07848	0.5
173.05952	0.7
177.05486	100.0
178.05766	1.2
180.08673	1.5
186.05495	0.9
191.07047	0.8
195.06549	53.1
196.06885	0.7
201.05658	0.5
207.06551	0.8
212.09201	0.8
233.08054	1.0
261.07718	0.5
279.08685	4.1
348.21429	0.5
370.96085	0.5
374.13635	0.9
374.18561	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.3
57.07073	10.6
57.83249	1.3
65.03934	1.6
67.05504	38.7
69.07069	48.3
69.73864	6.0
71.08636	9.3
79.05499	9.0
81.07058	57.1
81.07536	3.0
83.08609	9.0
85.10169	4.5
91.05492	7.4
93.07040	19.6
94.26799	1.3
95.08607	100.0
97.02907	3.2
97.10155	2.6
97.76814	1.4
98.20832	1.8
105.07030	23.6
107.08598	17.3
109.02901	2.5
109.06551	2.4
109.10159	77.5
111.11741	3.6
115.05405	1.5
117.07021	3.0
119.08564	18.6
121.10149	13.3
123.08071	1.4
123.11707	51.7
129.07010	1.5
131.08551	8.4
133.10130	25.7
135.04379	2.3
135.11699	8.8
137.13257	50.1
143.08473	3.2
145.06380	1.7
145.10118	9.7
147.08035	1.6
147.11673	20.4
149.13231	5.1
151.14862	3.7
157.10112	3.3
159.08046	1.6
159.11671	4.3
161.13277	6.7
163.11162	2.3
163.14819	6.0
165.16394	63.0
168.09351	1.5
171.11671	1.8
173.09608	3.3
173.13252	3.5
175.14815	8.5
185.13222	1.5
189.16391	3.4
191.10667	6.3
199.14833	1.7
201.12785	1.7
203.17946	2.0
205.12189	2.1
217.12164	3.0
219.13757	1.9
243.14000	2.7
253.56587	1.5
259.24225	3.4
271.16919	3.2
285.18491	1.6
337.25134	3.0
355.26309	35.8
373.12888	1.4
394.98364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42085	0.2
53.03957	0.7
55.01873	0.8
55.05505	1.6
57.03442	0.7
57.07074	0.7
60.91487	0.3
61.02937	1.3
67.05510	1.8
69.03442	3.5
69.07072	3.1
71.05013	1.7
71.51374	0.3
73.02924	0.5
79.05497	2.2
81.03423	1.6
81.07067	11.2
83.04988	0.4
83.08629	1.2
85.02913	12.3
85.06550	0.4
91.03988	0.8
91.05482	4.9
93.07054	6.6
94.42437	0.3
94.82253	0.3
95.04977	0.7
95.08614	15.3
97.02896	3.2
97.06554	0.7
99.04461	0.8
99.08106	4.2
101.96608	0.3
103.05512	0.4
104.06276	0.3
105.07040	12.4
107.04980	0.4
107.08603	9.5
109.02869	1.1
109.06525	0.5
109.10174	2.9
113.03866	0.3
113.09662	2.3
115.05511	0.3
117.07027	1.0
119.08593	45.5
120.08899	0.4
121.10165	1.7
123.08050	0.6
123.11718	2.2
127.03915	1.7
131.08582	0.8
133.10139	59.7
134.10466	0.6
135.08107	0.3
135.11702	12.5
137.05977	0.6
137.09653	1.3
145.04980	2.1
145.10210	0.8
147.11693	3.3
149.13292	0.7
149.81978	0.3
153.12787	0.4
159.70671	0.3
160.12457	0.8
167.07031	0.3
173.13315	0.4
175.14838	100.0
176.15169	1.3
177.05417	0.4
193.15898	9.8
193.17690	0.5
201.05533	0.6
211.16951	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	373.2223
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.92516	1.8
55.05503	8.0
57.07079	2.2
62.49133	1.9
67.05512	11.0
69.03422	8.5
69.07065	10.0
69.35343	15.7
71.05013	3.2
81.03436	2.4
81.07058	18.3
83.04984	7.4
83.08607	8.2
83.09053	2.2
85.02927	11.1
85.06539	4.7
86.09729	2.9
91.05503	5.4
92.99835	2.0
93.07051	12.6
95.05008	2.9
95.08616	38.5
97.02891	4.0
97.06528	2.9
98.20810	4.0
99.08098	6.0
105.07026	8.9
107.08609	20.6
109.02879	3.1
109.06522	9.9
109.10164	92.4
111.08082	3.9
113.09610	2.3
119.08588	43.6
121.10145	11.8
123.08065	9.6
123.11719	10.3
133.10144	27.9
135.11705	100.0
137.09612	15.3
139.11156	3.7
147.11711	3.6
149.13278	4.7
151.11186	9.2
151.14876	10.8
153.12807	3.6
165.16443	3.2
167.07077	3.7
175.14847	61.2
193.15895	66.4
201.05394	2.6
211.16945	77.2
245.07245	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	9.1
55.01868	3.7
55.05518	13.7
57.03430	6.6
57.07083	2.3
61.02941	2.6
67.05519	31.0
69.03448	25.8
69.07082	21.8
71.04992	6.2
71.52467	2.4
79.05507	20.9
81.03434	46.9
81.07076	97.6
83.04987	6.3
83.08640	9.3
85.02924	18.4
85.06559	8.6
89.06029	2.7
91.05502	31.1
93.07069	16.2
95.04979	4.9
95.08617	19.9
97.02898	10.8
97.06563	20.8
97.10118	2.9
99.04464	7.5
99.08100	6.0
105.06401	3.3
105.07051	47.9
107.08620	19.2
108.93774	1.9
109.02908	24.5
109.06531	7.7
109.10147	5.7
111.08109	2.7
113.06017	3.9
119.08612	40.0
121.10172	29.2
123.08059	5.1
123.11730	36.1
125.09636	2.4
125.38647	1.7
127.03941	28.3
127.07557	4.5
128.06229	1.9
129.07021	4.8
131.08614	4.7
133.10149	7.1
135.11725	3.4
137.06030	4.0
137.13274	2.4
141.09177	2.2
143.08604	1.6
145.10141	6.2
147.11716	100.0
149.09569	1.7
157.10120	5.1
165.11418	4.0
165.12793	65.1
167.07076	2.5
175.11182	6.0
183.13867	13.4
187.58147	2.0
189.09097	3.3
193.12254	13.5
196.08678	1.7
211.13258	4.0
213.09288	2.7
227.73138	2.1
229.12396	2.8
229.14415	23.2
241.12131	2.2
267.08972	3.0
271.71597	1.9
285.10178	2.9
285.14844	3.3
313.14362	3.0
337.16684	8.4
341.15994	3.5
355.18121	9.9
355.21860	2.1
373.27457	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
53.06089	2.8
55.05512	9.2
57.03431	5.6
59.88729	2.7
61.61335	2.5
65.03910	2.6
67.05525	12.9
69.03436	12.2
69.07076	14.1
71.23782	5.4
72.08160	9.5
79.05493	10.5
81.03455	5.9
81.07072	25.7
83.04996	5.8
83.08611	4.7
84.08144	7.7
85.02914	25.2
85.06571	3.9
86.09714	45.7
91.05492	17.9
93.07053	30.3
95.04959	8.8
95.08625	30.0
97.02889	8.0
97.06561	4.0
98.09707	3.9
99.08116	19.1
100.07642	4.3
103.05450	4.0
105.07043	33.3
107.08606	49.2
108.04522	5.7
109.02890	3.2
109.06513	4.7
109.10168	17.7
111.08051	3.6
117.03429	8.6
117.07034	6.1
119.04947	6.5
119.08603	49.5
120.08131	2.9
120.30212	2.6
121.10170	16.3
122.03590	3.6
123.08073	5.3
123.11733	8.9
125.09644	6.8
127.03896	3.6
129.10185	3.1
130.05040	3.2
131.04926	3.5
133.10147	44.5
135.11703	17.4
137.05986	33.8
137.09618	12.2
145.02870	11.5
145.06523	4.1
145.10178	3.4
147.04456	6.3
147.11696	9.9
149.06032	4.7
149.13246	3.1
150.05661	3.2
150.06770	4.4
153.09148	5.7
157.13364	7.3
161.06046	3.0
162.05521	6.0
163.14787	15.9
167.07101	5.4
168.06624	2.9
173.06032	7.8
175.03902	3.6
175.07367	3.0
175.14841	77.0
175.16307	5.3
177.05438	22.8
179.07103	4.1
181.05009	2.7
181.08568	3.5
181.10211	3.6
181.12161	5.0
185.12862	5.8
186.03212	3.2
189.12411	12.1
193.12334	5.3
193.15904	38.5
201.05484	50.6
210.01294	2.8
211.16977	21.0
211.25888	2.7
219.06566	9.4
225.10274	2.6
233.05994	3.8
234.06735	4.5
237.09068	4.8
249.42175	2.8
265.08536	6.6
293.08151	4.0
297.11053	4.4
307.09756	8.7
323.65274	3.3
325.10760	15.5
336.37262	3.0
337.10727	3.2
355.11774	5.0
362.57468	3.0
373.13632	8.4
373.18274	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97700	0.3
55.05507	0.8
57.03432	0.3
65.03933	0.5
65.87276	0.3
67.05505	1.3
69.03429	1.1
69.07067	1.4
70.06589	1.0
71.05000	0.9
71.50849	0.5
72.08154	1.1
79.05483	1.4
81.03440	0.4
81.07052	1.7
82.95801	0.3
83.04990	1.2
83.08600	0.4
84.08143	0.7
85.02911	1.9
85.06565	0.4
86.09711	15.6
87.04478	1.3
91.05457	1.7
93.07065	2.0
95.04969	1.0
95.08617	1.7
97.02889	0.6
97.06551	0.6
99.04449	0.6
99.08080	1.7
100.07612	0.4
105.07029	1.4
107.04935	0.4
107.08598	2.5
108.04538	0.8
109.02881	0.6
109.06535	0.7
109.10171	1.9
111.04450	0.6
115.05496	0.5
117.03379	1.4
117.07034	0.8
119.04928	0.7
119.08595	2.6
120.08127	0.4
121.06500	0.6
121.10169	1.5
123.11745	0.5
125.09622	0.6
125.66837	0.4
127.03950	0.5
129.10223	0.4
133.10147	2.7
135.08040	0.6
135.11696	1.3
137.06003	4.7
137.09627	1.0
139.11191	0.4
145.02876	2.3
145.06529	0.8
147.04427	1.1
147.07986	0.5
147.11707	0.6
149.06000	0.6
149.09604	0.5
150.06763	0.5
151.07623	0.5
153.09091	0.5
155.07153	0.4
157.13393	2.6
158.03694	0.4
162.05484	0.6
163.07579	0.7
163.11140	0.8
163.15031	0.5
167.07043	0.5
168.06500	0.5
173.06030	1.2
175.03937	0.6
175.07495	0.4
175.14880	3.1
177.05496	3.9
181.04948	2.1
181.12253	0.7
185.12880	2.6
189.12357	3.8
193.12123	0.4
193.15887	1.5
201.05489	7.2
205.06616	0.5
209.15437	0.6
211.16940	1.2
219.06532	1.4
222.06767	0.4
233.06049	0.6
250.06255	0.4
260.15991	0.4
265.08514	1.0
277.08490	0.6
293.08209	0.7
307.09485	0.6
325.10815	2.7
343.11969	0.4
355.11459	0.7
373.18359	100.0
374.18768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.01871	2.7
55.05515	9.6
57.03437	5.4
57.07072	0.9
59.04990	0.9
59.81728	0.7
61.02923	1.4
65.03962	1.3
67.05512	24.1
69.03435	30.4
69.06728	1.4
69.07073	17.8
71.01342	1.3
71.04998	8.0
71.52221	1.3
73.02888	0.8
79.05497	17.5
81.03424	58.0
81.07062	88.4
83.04996	7.3
83.08622	8.9
84.08141	2.9
85.02912	17.4
85.06538	6.6
90.20611	0.8
91.05489	27.0
93.07047	16.8
95.04960	3.2
95.08611	18.6
97.02897	16.1
97.06541	11.0
97.10196	1.5
99.04468	10.2
99.08099	4.1
101.06047	1.1
105.07040	41.7
107.04922	1.2
107.08601	15.3
109.02881	26.4
109.06523	5.9
109.10153	3.7
111.08084	1.7
113.06006	2.0
117.07019	1.5
119.08592	34.5
121.10149	29.8
123.04485	0.9
123.08076	5.4
123.11719	38.1
125.09633	1.1
127.03928	24.9
127.07575	5.4
129.07010	2.0
131.08588	2.4
133.06541	1.2
133.10161	5.1
135.11697	1.4
137.06000	1.6
137.09654	2.2
137.13252	3.0
141.09125	2.0
145.04948	2.0
145.10135	3.0
147.04478	1.0
147.11699	100.0
148.12030	1.2
149.09647	1.2
149.13284	1.6
151.07596	1.5
151.11150	2.1
157.10158	3.5
159.11693	1.7
165.12770	71.4
166.13094	1.0
167.07050	1.7
175.09962	0.8
175.11194	4.7
175.14821	1.1
183.13809	14.6
191.10722	0.9
193.12257	11.1
201.05428	1.3
211.13293	2.3
229.12137	1.5
229.14383	27.8
239.63773	0.9
241.15950	1.0
273.14975	1.3
313.06973	1.7
313.14291	1.0
319.15192	1.2
337.16501	9.9
355.17648	15.6
373.27451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	72.5
56.96569	33.4
60.98766	23.6
61.02945	28.6
63.22268	22.7
66.18465	22.9
67.05511	58.8
67.60917	24.3
69.03420	33.1
69.07063	34.8
69.67944	26.3
71.52270	23.7
71.52698	23.6
79.05502	82.6
81.03420	76.9
81.07047	100.0
83.08620	56.6
85.02916	40.7
89.06772	27.1
91.05480	57.5
93.07055	95.6
95.08611	34.3
95.46497	21.3
97.02880	42.0
97.06552	67.9
103.05013	22.5
105.07046	49.9
107.08587	39.7
109.02874	23.5
109.10191	25.6
110.12820	20.9
113.05984	27.9
119.08568	56.1
121.10169	66.7
123.08099	31.8
131.08629	36.6
145.10172	32.9
163.11107	36.7
165.12817	31.1
167.07050	25.7
189.11282	44.9
222.43529	28.4
223.13239	41.3
236.31247	23.4
255.09140	40.3
267.09091	34.3
283.08588	64.7
285.10089	44.6
335.77255	24.0
347.14316	41.0
372.11206	44.4
372.26984	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	72.5
56.96569	33.4
60.98766	23.6
61.02945	28.6
63.22268	22.7
66.18465	22.9
67.05511	58.8
67.60917	24.3
69.03420	33.1
69.07063	34.8
69.67944	26.3
71.52270	23.7
71.52698	23.6
79.05502	82.6
81.03420	76.9
81.07047	100.0
83.08620	56.6
85.02916	40.7
89.06772	27.1
91.05480	57.5
93.07055	95.6
95.08611	34.3
95.46497	21.3
97.02880	42.0
97.06552	67.9
103.05013	22.5
105.07046	49.9
107.08587	39.7
109.02874	23.5
109.10191	25.6
110.12820	20.9
113.05984	27.9
119.08568	56.1
121.10169	66.7
123.08099	31.8
131.08629	36.6
145.10172	32.9
163.11107	36.7
165.12817	31.1
167.07050	25.7
189.11282	44.9
222.43529	28.4
223.13239	41.3
236.31247	23.4
255.09140	40.3
267.09091	34.3
283.08588	64.7
285.10089	44.6
335.77255	24.0
347.14316	41.0
372.11206	44.4
372.26984	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33418	0.6
54.50969	0.6
67.04251	1.5
70.74708	0.7
70.75034	1.8
82.06595	50.9
84.08165	5.8
100.07633	100.0
101.07973	1.0
128.07124	1.2
146.08142	15.0
148.75447	0.6
164.05627	0.7
166.07149	1.0
168.05040	1.5
182.06645	3.8
184.08295	1.3
186.06129	4.2
200.07730	1.2
204.07240	3.0
210.06142	7.2
214.05727	0.8
222.08322	0.8
228.07205	75.2
229.07458	1.7
232.06848	1.3
240.53253	0.9
246.08278	91.0
247.08495	1.8
264.09341	1.5
267.11966	2.0
269.09888	1.7
283.11279	1.1
285.13040	1.6
313.12396	4.3
331.13556	41.6
332.13821	0.8
349.14679	10.7
354.15234	1.1
373.03064	1.1
373.14459	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64182	0.5
58.53702	0.5
64.43095	0.5
67.04248	1.3
71.15307	0.9
82.06587	48.6
84.08167	4.6
92.44776	0.5
100.07625	100.0
100.57585	0.5
101.00893	0.9
110.06008	0.8
128.07083	0.8
146.08145	14.3
164.05589	0.7
168.05089	3.1
182.06645	4.2
184.08185	1.4
186.06155	3.4
200.07741	1.7
202.05724	0.7
204.07225	3.2
210.06108	7.1
214.05612	1.2
228.07179	68.8
229.07364	2.2
232.06680	1.3
246.08253	89.9
247.08469	2.2
264.09262	0.8
267.11868	2.3
269.09787	1.8
283.11337	0.6
285.13031	0.8
285.46848	0.6
295.11206	0.7
313.12354	3.3
331.13538	38.2
332.13666	0.8
349.14578	8.7
355.13797	1.0
373.14481	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	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
53.03934	0.5
55.01885	0.5
56.05022	0.5
59.04995	0.9
61.02922	0.5
65.03957	0.4
67.05502	1.2
69.03426	1.0
69.07051	0.9
70.06591	1.5
71.04980	0.8
71.50587	0.4
71.50992	0.5
72.08160	1.0
79.05509	0.5
81.07046	1.4
83.04980	0.7
84.08148	7.3
85.02898	2.0
85.06554	0.5
86.09715	2.6
89.03918	0.7
90.09754	0.4
91.05466	1.8
93.07052	1.9
95.04959	0.7
95.08599	1.2
96.08128	0.6
97.02923	0.5
97.06529	0.4
99.04432	0.5
105.07041	0.9
107.04963	0.6
107.08591	1.3
109.10168	0.9
117.03373	1.4
117.07038	0.5
119.04939	0.8
119.08597	1.3
121.10171	0.6
123.08096	0.6
125.09634	0.9
127.03857	0.8
129.10237	2.6
133.10107	2.8
135.08055	1.0
135.11661	0.9
137.06012	2.3
137.09619	0.5
139.03906	0.5
145.02838	2.5
147.04378	0.5
148.07526	0.5
149.05994	0.9
149.13368	0.4
153.09064	0.8
161.05946	0.6
163.07564	1.1
165.72745	0.4
167.07048	0.6
173.06053	0.7
175.11082	0.5
175.14824	2.7
177.05464	4.5
181.05069	0.5
181.08623	0.4
193.04799	0.6
193.12059	3.1
193.15887	0.9
195.06563	1.3
195.13564	1.5
199.09583	0.6
201.03694	2.1
201.05505	3.8
203.05299	7.1
206.37497	0.4
211.13246	1.2
211.17004	0.6
238.84535	0.4
295.29605	0.5
325.10696	1.3
327.13412	1.0
355.12225	0.6
373.18356	100.0
374.18777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.2
55.05505	5.9
57.03448	1.9
57.07083	2.1
59.05010	44.3
67.05512	2.8
69.03444	7.7
69.07080	8.2
70.03787	1.7
70.06596	5.4
70.07387	1.7
71.04998	1.6
71.51216	2.3
73.02918	2.1
73.06562	3.9
76.33932	1.5
79.05484	3.0
81.03443	3.8
81.07063	11.9
82.07398	2.8
83.04984	4.2
83.08631	5.5
84.04499	3.1
84.08125	2.3
84.08945	3.1
85.02901	8.2
85.06541	2.5
86.09716	11.0
87.04001	2.5
87.04488	32.2
88.86476	1.6
89.06047	100.0
91.05497	5.9
93.07068	7.9
94.07384	2.6
95.05006	4.3
95.08633	3.6
97.02904	4.0
97.06520	2.4
98.03304	1.5
98.06048	2.1
99.04475	15.9
99.08122	2.1
101.51585	1.4
103.03960	95.3
103.07600	7.6
105.03397	1.8
105.07053	4.4
107.04986	1.9
107.07095	3.3
107.08604	7.0
108.08938	5.8
109.02899	1.6
109.06552	11.1
109.10159	4.4
110.06826	3.6
110.10483	2.6
111.08100	2.7
114.09177	6.9
117.03446	1.8
117.05523	13.9
117.06986	1.9
119.08596	3.1
120.08873	1.6
121.06509	2.8
121.08633	2.0
121.10148	5.3
122.10455	2.6
123.11740	4.5
124.12120	2.3
126.05531	2.7
127.03945	4.4
128.04305	1.9
128.07054	2.7
128.10707	1.9
128.56522	1.5
131.07056	12.7
131.08586	3.8
132.08945	2.7
133.08623	52.0
133.10103	7.6
134.10471	6.3
135.08086	4.1
136.08414	2.0
137.06007	9.2
137.09654	2.0
138.05470	2.6
140.10728	2.5
147.04457	8.7
147.06535	5.8
147.10173	2.2
149.13260	4.0
150.13623	6.2
151.09706	2.0
151.11224	1.6
156.06581	9.1
158.11797	4.0
161.06062	2.8
161.08186	2.8
163.09721	3.4
165.11264	2.6
167.07024	1.7
167.14320	5.3
168.14711	6.3
172.28636	1.8
173.05911	1.7
174.13628	3.6
175.09694	8.7
177.11240	19.2
179.07069	2.7
180.10210	2.7
185.22006	1.7
191.09178	5.9
191.14342	5.6
192.10281	1.7
192.14668	11.9
195.12160	2.3
199.03958	3.8
201.05528	4.2
207.12386	2.6
209.15404	5.3
210.11409	2.3
210.15709	9.4
211.16968	1.9
221.13998	1.7
235.11777	3.8
239.14966	19.9
245.53207	1.7
251.14978	8.3
253.12950	2.0
269.15274	13.7
279.14432	5.8
297.15500	23.7
323.07809	2.7
336.13037	1.8
337.18481	2.7
355.19653	30.4
372.16748	5.4
372.24698	1.7
373.18353	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33330	0.7
53.64965	0.7
56.17454	0.5
57.03427	0.5
57.49167	0.6
59.04993	2.1
69.03398	0.9
70.02949	0.7
70.06583	2.6
70.34364	0.6
70.34705	1.8
72.08190	0.6
74.00677	4.4
81.04502	0.5
81.82210	0.6
82.06561	0.7
82.53771	0.5
84.08130	0.9
85.02884	2.0
86.09692	1.0
88.03993	4.0
89.06029	0.9
89.31089	0.7
91.05486	1.8
95.06085	0.7
97.02869	0.6
100.03980	1.0
103.03951	3.5
103.09940	0.6
105.07004	0.8
106.06555	1.7
109.02864	0.7
110.07179	1.1
116.07150	0.5
117.01874	0.8
119.04964	1.0
120.01186	3.3
120.05376	0.5
122.01915	0.8
127.03934	1.8
131.04956	1.6
133.08595	0.7
135.02669	1.4
136.05093	1.0
136.06157	0.8
137.05992	1.1
145.02834	0.9
147.04370	2.8
147.06529	0.6
148.04811	1.4
149.00574	2.3
150.01355	1.6
151.02116	0.7
153.10448	0.6
154.00854	1.2
161.06021	1.9
164.07080	0.9
165.00082	0.9
173.02357	0.8
175.03928	0.8
178.00847	35.0
179.12833	1.4
180.02435	0.9
181.03197	0.9
187.02161	2.4
189.00066	4.3
191.01636	1.5
191.03410	2.4
192.10165	1.2
193.03204	89.5
194.00386	3.9
194.03508	1.4
198.09146	1.3
202.03288	0.7
206.05722	0.8
207.01077	1.3
209.02643	1.1
210.11266	1.8
211.04236	1.6
221.02687	9.0
221.99834	57.7
223.00052	1.0
230.02708	1.3
231.01057	0.9
234.11298	1.1
237.02180	100.0
238.02451	1.5
239.03818	3.6
249.02275	1.4
262.05313	3.0
265.01682	17.8
265.04742	0.9
267.03229	1.1
283.02707	9.9
290.04779	1.5
308.05829	2.6
326.07022	5.2
326.11359	5.2
336.05356	1.6
337.03827	10.9
354.06528	7.9
355.04840	11.5
372.07495	15.2
372.12042	3.8
372.16437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
53.11213	1.7
55.01870	4.6
55.92464	1.5
57.03435	15.5
59.05001	2.6
61.02920	9.3
69.03432	50.5
70.06573	1.8
70.08580	4.0
70.08970	5.1
71.01346	2.6
73.02925	39.7
73.04755	3.2
77.14577	2.1
81.03413	6.5
84.08154	2.0
85.02911	100.0
87.04471	25.5
89.06030	3.2
91.03949	3.3
91.05823	2.7
97.02299	3.6
97.02901	56.1
99.04462	4.2
103.03933	8.3
107.07058	3.3
109.02866	6.5
115.03181	3.2
115.03940	54.7
123.69534	1.9
124.07584	2.2
125.29091	2.0
127.03925	24.4
133.04973	72.3
145.04977	50.2
147.04420	4.6
150.07640	5.1
163.06038	28.4
165.11220	6.8
210.07542	1.9
210.11267	2.4
212.76721	2.3
223.06093	3.3
223.11766	7.4
237.02306	2.4
241.07048	4.4
259.08197	9.6
277.09320	3.0
283.09705	2.0
295.10071	4.5
372.17200	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.79795	0.7
53.03934	2.1
55.01863	1.4
55.05503	1.2
57.03427	2.8
59.04996	1.4
61.02918	2.8
62.62859	0.7
67.05522	1.5
69.03433	11.1
69.07062	1.7
69.28978	1.5
69.29388	6.1
71.04990	1.6
73.02914	1.5
79.05476	1.0
81.03422	6.7
81.07064	3.9
83.04980	2.1
85.02911	30.7
85.06551	0.9
87.04475	1.0
90.52293	0.8
91.03947	1.5
91.04465	0.7
91.05494	1.5
93.07040	2.4
95.04984	3.7
95.08620	3.6
97.02901	9.2
97.06517	1.3
99.04450	1.6
105.07010	3.0
107.04998	1.4
107.08597	5.5
109.02886	2.3
109.06527	13.4
109.10154	2.5
117.07003	1.0
119.08582	3.0
121.06551	0.7
121.10151	7.7
123.08071	3.2
123.11706	3.3
127.03918	5.7
131.08536	0.9
133.10127	2.6
135.08063	1.5
135.11697	1.0
137.06035	1.6
137.09636	6.3
137.13214	0.8
145.04974	7.6
147.11720	2.1
148.38857	0.7
149.09608	6.8
149.13283	4.2
151.11194	27.5
153.09201	1.1
157.54187	0.7
163.05881	0.9
165.12770	38.4
167.07072	5.4
169.98778	0.8
173.13254	1.7
175.07565	1.8
177.05550	0.9
187.07509	1.1
191.14323	6.7
193.15901	3.1
209.15384	100.0
210.15706	1.8
217.08641	1.2
285.07697	1.0
290.11066	1.6
300.09979	1.3
309.11325	1.4
321.11127	1.1
326.11569	0.9
336.11649	1.4
341.14005	1.2
353.14032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2072
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03957	3.8
54.89886	1.7
55.01872	4.1
55.05519	11.4
57.03441	4.1
57.07074	6.7
58.43877	1.9
59.04994	4.8
59.13386	2.1
59.86835	1.7
61.02921	2.8
65.03938	3.0
67.05515	10.4
69.03437	27.8
69.07074	10.8
70.06593	7.0
71.05011	9.4
71.50819	2.5
71.51209	1.8
72.08142	2.6
73.02927	2.6
79.05495	9.6
81.03411	9.6
81.07061	30.2
83.04998	16.0
83.08627	22.6
84.08150	2.9
85.02442	2.7
85.02919	39.8
85.06546	4.6
86.03242	2.5
86.09698	6.9
87.04482	3.3
91.05441	10.3
93.07054	18.9
95.04981	100.0
95.08628	11.6
97.02889	15.7
97.06520	5.6
99.04471	25.8
101.06081	2.3
103.03965	2.5
103.05454	1.9
105.07046	10.3
107.04967	5.0
107.08607	24.9
109.02899	21.2
109.06523	27.6
109.10176	22.8
111.04489	2.5
111.08083	8.1
113.06024	1.8
116.07128	2.9
117.01975	2.3
117.03409	2.2
117.07016	4.4
119.04944	2.3
119.08581	6.5
121.06514	2.7
121.10155	24.4
123.04472	2.2
123.08059	3.5
123.11741	15.6
125.09607	4.6
125.13278	4.5
127.03938	26.0
127.07568	3.4
131.08569	7.9
133.06514	2.1
133.10136	19.2
135.04430	8.7
135.08037	8.3
135.11700	5.8
137.05974	5.4
137.09625	4.3
139.11179	2.9
145.02863	5.0
145.04970	4.9
145.10139	5.1
147.04395	4.8
147.08086	2.2
149.09628	4.9
149.13268	20.3
151.07576	2.7
151.11221	6.2
153.09135	32.5
158.01961	1.7
161.09650	2.8
163.07439	2.8
163.11209	2.1
163.14827	5.9
165.09158	2.5
167.07039	8.4
167.14331	21.1
169.12198	3.1
171.10155	3.7
173.13274	14.1
177.05463	10.0
178.05820	2.4
179.05989	2.5
181.12216	2.8
187.06021	3.8
187.07593	2.1
191.10612	3.0
191.14323	27.8
201.09129	2.6
203.14388	2.1
205.06992	6.1
209.04401	5.1
209.13496	3.6
209.15405	59.1
213.09254	1.7
213.82309	1.8
217.08589	2.1
219.08002	3.7
227.16269	1.9
233.15233	2.1
283.09570	2.0
293.08148	4.5
335.13165	2.2
353.19705	4.4
371.11520	5.7
371.16577	7.9
371.20639	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
67.05511	0.8
69.03439	2.5
69.53397	1.4
69.53809	0.9
71.04992	0.8
73.06567	1.0
79.05499	1.0
81.03429	0.7
81.07067	1.1
83.05003	0.9
85.02919	1.7
85.06548	0.8
87.04478	4.2
89.06039	100.0
90.06385	0.5
91.05486	0.9
91.07598	0.6
93.07079	1.7
95.04977	6.1
95.08620	1.0
97.02882	0.8
97.06561	0.5
99.04488	1.7
103.03991	0.6
105.07056	1.1
107.04962	0.8
107.07069	1.1
107.08618	1.9
109.06509	1.0
109.10155	0.8
111.08088	0.9
119.08618	0.4
121.06518	0.6
121.10162	0.9
123.08044	0.6
125.09662	2.0
127.03930	1.1
129.05527	0.5
130.08678	1.1
131.07066	1.2
131.08572	1.6
133.08614	49.1
133.10208	1.6
134.08885	0.4
135.04471	0.6
135.08051	1.7
135.11682	0.4
137.06010	0.6
145.10185	0.4
147.04430	1.4
147.11664	0.6
149.09636	1.3
149.13313	0.7
151.09767	0.4
151.11098	0.7
153.09120	2.6
163.11229	0.8
167.07088	1.2
173.13254	2.7
175.09668	0.4
177.05476	0.9
177.11234	16.3
181.04935	0.4
181.39218	0.3
191.14330	8.3
195.12309	0.8
209.11732	0.5
209.15361	9.6
221.13797	1.9
239.14885	1.3
283.17587	1.2
327.20172	0.8
353.19724	0.3
371.12653	0.4
371.16669	2.0
371.22491	5.4
394.83450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91071	5.0
53.03936	8.0
55.05503	22.1
57.07062	12.0
57.75547	4.7
67.05515	30.6
69.07058	22.4
71.04981	5.5
71.52294	6.6
71.52640	5.5
79.05501	30.4
79.39363	4.8
81.07058	44.8
83.04967	12.8
83.08605	10.4
85.06509	6.5
91.05473	37.5
93.06495	6.8
93.07054	100.0
95.04969	13.2
95.08613	64.3
97.06532	29.1
101.06000	8.7
105.07047	68.8
107.08606	45.5
109.06533	6.1
109.10176	32.8
111.08087	6.8
117.07017	12.5
119.08594	82.1
121.06485	8.5
121.10146	44.0
123.11676	10.4
129.05498	7.5
129.06998	8.9
130.07835	9.3
130.18924	5.2
131.08578	34.9
133.10144	59.0
135.08037	8.0
135.11671	13.1
137.09595	5.7
139.07547	64.5
141.06979	7.6
142.07776	12.8
143.08548	21.3
145.10123	58.7
147.06523	6.1
147.08044	6.1
147.11678	21.4
149.09631	11.1
155.08595	8.8
156.09375	7.9
157.10135	40.4
159.11661	31.6
161.09677	6.9
161.13277	15.6
165.09184	5.7
169.10109	9.1
171.11694	20.6
173.13271	15.0
175.14833	18.3
179.08636	5.1
183.11664	12.2
185.13287	9.6
187.14830	20.3
195.11688	14.8
197.13200	12.3
199.14822	9.5
209.13255	12.5
211.14824	11.3
213.12830	16.2
223.14790	7.7
225.16345	9.4
231.13747	5.7
268.26242	29.1
297.18677	5.8
353.24713	10.4
371.25793	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	372.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
67.05501	1.5
69.03413	3.7
70.06588	4.4
71.51904	1.9
72.08163	2.2
73.02986	1.4
74.00663	1.7
79.05502	1.5
82.06560	2.3
83.04967	1.6
84.04510	2.2
84.08134	2.1
85.02905	4.4
86.09719	1.5
87.04469	3.5
88.03987	2.9
89.03911	1.5
89.06055	1.8
91.05466	17.5
94.04169	3.1
94.06554	1.6
95.04986	2.2
97.02886	3.9
99.04475	1.2
100.07639	8.5
100.11248	3.1
101.06032	1.4
103.03951	10.0
103.05465	4.9
105.07020	2.2
106.06560	10.1
107.04959	7.9
110.07166	2.0
111.08442	1.4
115.05439	1.8
117.03389	3.5
119.04958	21.4
120.01176	1.6
120.08112	2.1
124.07649	1.5
126.01355	1.5
127.03934	1.9
130.05031	1.5
131.04938	8.6
132.05719	1.2
133.06566	2.8
135.02654	8.5
135.04414	8.6
136.06177	3.4
137.05992	1.9
145.02841	18.8
145.04924	2.0
146.08128	18.7
147.04419	52.7
148.04788	1.4
149.06056	1.8
150.05470	1.5
151.02165	1.4
153.00072	5.1
154.00845	69.8
159.02718	2.7
159.04414	11.2
160.05164	2.5
161.05989	7.1
162.05519	1.7
163.02170	8.9
163.03926	21.1
165.00072	4.8
165.03766	1.4
167.01633	6.8
170.09698	9.9
171.01138	2.7
173.00801	2.6
173.02332	30.7
173.03685	2.4
175.02190	5.0
175.03917	24.4
177.05475	11.0
178.05849	1.4
179.01613	2.9
180.02432	13.2
180.06535	1.5
181.03226	1.4
183.06786	1.8
183.21999	1.2
187.02124	8.2
187.03761	2.1
191.01624	43.1
191.03406	100.0
193.03206	6.8
193.04875	2.5
198.09161	27.3
201.01830	8.3
201.05446	2.5
203.01617	5.0
205.05009	7.1
207.01064	1.6
209.02701	13.5
210.11292	2.2
210.15732	1.5
217.03157	2.4
219.01071	19.6
219.02924	36.8
220.01891	1.7
221.02657	5.1
221.04524	3.5
221.99835	2.6
227.17601	3.5
231.01172	2.2
232.03647	2.0
237.02173	25.1
243.11301	1.9
247.00623	11.6
249.04007	1.8
250.04720	2.4
251.00136	1.5
259.00623	22.0
265.01663	55.1
265.04553	2.9
273.02237	1.7
283.02725	53.7
286.00882	1.5
291.03137	11.6
309.04285	3.2
326.11288	1.4
337.03787	28.9
354.06314	8.5
355.04807	61.6
372.07507	33.0
372.12112	3.1
372.20538	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01871	1.0
57.03436	0.9
57.07057	0.8
64.30129	0.8
67.05502	2.0
69.03436	3.5
69.07079	1.0
70.06572	1.9
71.07998	1.6
79.05495	5.6
79.51851	0.6
81.03402	1.1
81.07058	2.7
83.04974	1.6
84.08159	1.6
85.02922	5.5
85.06529	0.7
86.09708	1.6
89.06045	11.4
91.05452	4.2
93.07066	5.9
95.04964	1.4
95.08607	1.8
97.02878	1.7
97.06548	1.0
97.75394	0.7
99.04510	0.9
103.05477	1.5
105.07046	11.5
107.04971	4.7
107.08584	2.1
109.06520	4.5
109.10171	3.8
116.07079	0.8
117.07011	1.5
119.05030	1.1
119.08602	3.9
121.06499	4.5
121.10151	17.8
123.08064	2.7
123.11703	1.5
127.03918	1.5
129.75259	0.7
131.08578	1.9
133.07664	1.5
133.08615	7.1
133.10168	1.8
135.04326	0.8
135.08018	1.0
137.06050	1.7
137.96158	0.7
143.08659	0.8
145.02864	1.6
145.10133	2.1
147.04434	2.7
149.09633	100.0
150.09966	1.0
151.11206	3.2
159.10052	0.7
163.03876	0.9
163.11188	1.1
167.06993	1.4
173.13312	1.2
177.05516	2.2
177.11279	2.1
179.07066	1.0
181.04994	1.4
191.10783	3.4
191.14319	47.0
194.02112	1.5
209.04456	4.5
209.11743	9.1
209.15358	3.0
219.08067	1.5
247.07504	1.6
293.08008	1.3
321.07620	1.0
353.10229	1.0
371.11649	1.9
371.16846	5.4
371.20877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03953	5.0
55.01863	4.6
55.05516	26.2
56.79971	2.5
57.03433	4.5
57.07081	17.6
57.34319	2.5
58.55711	2.3
59.05003	5.8
61.02924	3.2
67.05518	13.8
69.03436	32.5
69.07069	32.8
70.06573	2.6
71.01347	2.3
71.04993	3.6
71.07838	5.7
71.08648	3.2
79.05489	24.6
81.03407	10.6
81.07059	100.0
83.04997	26.1
83.08627	67.2
85.02914	35.8
85.06541	10.3
87.04470	5.4
89.06040	7.1
91.05479	11.4
93.07047	33.5
95.04978	13.7
95.08618	21.5
97.02901	10.3
97.06551	15.6
97.07076	2.2
99.04443	7.7
103.03959	3.9
103.05498	3.5
105.07060	19.8
107.04942	3.2
107.08604	47.9
109.02879	9.7
109.06526	78.8
109.09404	2.1
109.10157	58.4
111.04426	3.1
111.08089	17.9
117.07016	4.7
119.08586	10.1
121.06494	5.7
121.10149	43.6
121.10946	4.3
123.08094	10.1
123.11727	31.2
125.09620	4.9
125.13248	12.5
127.03936	29.9
127.07553	4.8
129.05516	3.8
131.08604	17.4
133.08632	3.5
133.10136	66.1
135.08069	19.8
135.11658	5.5
137.05969	5.4
137.09592	3.3
137.13281	4.4
139.11229	3.8
145.02913	2.6
145.04973	7.6
145.10132	4.6
147.11702	7.9
149.06078	3.3
149.09625	6.8
149.13275	61.8
151.11192	12.8
153.09123	12.0
158.10909	4.1
163.14851	10.2
165.09184	2.9
166.90082	2.6
167.07045	6.9
167.14322	80.0
169.12285	7.0
171.10146	11.8
173.13280	36.2
177.05499	7.1
178.05849	4.0
191.10677	2.7
191.14322	79.8
191.15950	3.0
209.15385	55.1
227.16493	9.7
315.14502	2.9
335.18588	3.3
353.19647	7.9
371.16568	4.8
371.20779	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	371.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.8
55.05515	5.1
57.03442	3.7
60.73054	2.9
62.72307	3.8
67.05507	7.5
68.55033	2.9
69.03427	13.9
69.07059	14.6
70.29421	7.6
71.05002	8.5
73.02898	3.7
74.53555	2.9
79.05489	12.7
81.03404	6.2
81.07063	18.6
83.04988	13.0
83.08620	4.9
85.02924	20.0
91.05492	11.5
93.07044	12.2
95.04964	11.7
95.08624	23.5
97.02935	6.1
97.06545	41.2
98.06848	14.6
99.04464	5.4
99.08068	4.3
105.07025	11.7
107.04986	8.8
107.08608	27.7
109.06549	12.1
109.10153	18.2
117.06999	4.4
119.08597	8.5
120.26100	2.9
121.06532	5.7
121.10159	35.6
123.04415	3.5
123.08060	4.2
125.09624	11.0
131.04984	3.7
131.08614	10.3
133.10141	21.5
135.04437	7.7
135.08066	11.7
135.11703	7.1
137.06017	21.6
137.09659	7.9
139.11209	3.3
144.05701	4.0
145.10161	7.3
147.08086	3.1
147.11702	12.0
149.09622	12.6
149.13283	21.0
151.11201	81.5
153.09099	4.9
156.05730	5.8
157.06538	4.6
158.10910	4.8
159.08104	6.3
161.05988	3.7
162.33458	2.9
163.14888	16.0
165.12761	8.9
167.07076	23.4
173.13319	23.8
175.07541	3.2
177.05490	6.2
178.05783	4.9
186.51671	3.6
187.07576	7.4
189.09105	4.7
191.12694	7.1
191.14333	100.0
201.09116	3.9
203.03447	4.4
207.01468	2.9
209.15405	84.4
209.17368	4.1
217.08650	22.8
219.10237	4.5
220.02989	3.5
220.10539	9.4
227.54358	3.5
230.08946	4.8
232.03133	3.7
233.05942	4.1
233.09738	4.3
239.06947	6.0
246.08484	6.2
247.07422	3.3
247.09753	6.0
249.09341	4.0
261.09125	7.1
274.08087	3.2
279.64487	3.1
281.11752	5.0
285.07581	9.2
289.10883	5.8
290.11090	65.8
293.08362	3.5
293.11749	6.2
294.08527	3.7
300.09879	13.6
301.10626	4.7
308.12070	9.9
309.11182	3.4
318.10541	8.9
321.11166	6.6
324.05756	5.4
325.11133	3.3
326.11600	8.4
336.11603	38.5
341.14044	6.3
353.13892	15.4
354.10733	11.1
371.14709	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	14.6
55.01865	4.2
55.05517	16.2
57.03443	2.1
57.07067	5.1
65.03928	1.9
67.05509	47.1
69.07076	33.7
70.95989	3.0
71.04955	1.5
71.08634	3.5
72.07495	1.5
72.09093	1.4
77.03917	1.3
79.05501	27.6
81.03424	44.4
81.07059	36.7
83.04978	10.9
83.08612	5.5
87.97745	1.6
91.05490	16.7
93.07054	26.0
95.04977	26.4
95.08624	15.5
95.78391	1.4
97.06562	2.8
97.10158	4.2
99.08104	2.6
103.61040	1.5
105.07029	16.7
107.08607	23.0
109.06532	6.7
109.10166	14.0
111.08078	1.9
113.09586	1.5
117.07063	2.0
119.08572	9.0
121.06493	1.8
121.10149	10.0
123.08068	2.6
123.11703	5.0
125.09624	9.4
129.07007	2.5
131.08583	2.9
133.10153	12.7
135.08026	2.1
135.11710	5.0
143.08534	2.0
145.10146	2.0
147.11671	9.6
149.13269	7.2
151.11182	34.9
153.09082	2.4
157.10152	2.6
159.11716	2.3
161.13234	8.3
163.14845	2.7
165.12737	8.2
171.10280	1.5
171.11664	3.2
175.11217	3.5
175.14879	3.2
177.12701	2.8
179.14273	3.8
185.13306	3.2
189.12817	2.2
199.14789	1.6
207.13902	2.2
231.21173	8.2
241.19572	2.8
249.22099	3.8
259.20630	8.0
277.21637	100.0
301.06967	2.3
313.07059	2.9
344.02750	1.5
351.25296	62.2
353.12350	1.7
369.13080	3.9
369.23807	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64516	2.9
55.05502	9.4
56.73002	2.3
57.07062	6.2
67.05495	11.1
67.97063	2.3
68.49508	2.7
69.03412	2.8
69.07061	12.0
69.81078	13.3
71.08628	13.3
79.05504	13.8
81.07052	17.2
82.07402	3.9
83.08612	6.6
85.06544	3.6
91.05470	11.4
93.07046	14.3
95.04950	6.7
95.08595	16.5
97.06513	7.0
99.08103	16.8
105.07027	6.5
107.08596	11.7
108.08887	3.1
109.06503	14.0
109.10151	4.9
119.08553	7.8
120.08955	2.7
121.06493	5.4
121.10151	7.6
123.11738	3.2
135.08041	4.2
135.11705	4.5
145.10144	5.0
147.11676	2.8
149.13234	4.4
158.12502	2.4
161.13232	3.7
163.11165	3.4
163.14769	2.6
164.11490	4.1
165.12767	30.8
173.13249	2.6
177.12766	4.6
179.14342	9.1
180.14693	12.4
181.15865	5.7
209.11716	2.6
237.11134	4.7
251.16476	2.7
261.22153	10.0
263.99908	2.8
278.21924	10.6
279.23157	5.3
289.10699	2.8
289.21655	43.6
290.21909	4.5
293.17654	6.1
307.22699	100.0
314.07327	8.2
325.23639	3.7
340.07733	4.0
352.25674	20.8
370.12845	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	371.1494
Annotation	Fargesone C
Peak:m/z	Relative Intensity
51.43145	0.5
53.32767	0.5
55.05492	1.2
57.07074	2.8
58.06580	0.9
65.87714	0.5
67.05502	0.8
69.07062	1.4
70.79845	0.8
70.80196	1.1
71.08643	2.7
79.05493	2.0
81.07048	1.8
83.08609	0.8
85.10186	1.0
95.08607	2.1
97.10143	0.7
101.06058	0.8
107.08611	0.8
109.06533	4.6
109.10214	1.3
118.36550	0.6
119.08614	0.6
121.10165	0.7
129.05446	0.7
133.10109	0.5
135.04485	0.7
137.05991	100.0
138.06329	0.8
154.25191	0.6
157.11642	0.6
158.50833	0.5
165.01866	1.9
177.05659	0.7
179.03436	1.5
183.02917	0.6
191.03407	24.3
199.07568	0.8
201.05528	1.6
201.09183	0.6
205.09824	0.7
241.08603	1.0
243.17024	0.6
248.46434	0.7
268.26392	27.9
269.08078	5.4
297.07605	49.7
298.07977	1.3
315.08658	33.8
316.09241	0.6
353.13751	2.9
371.14984	5.3
382.86612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03955	2.7
54.07055	1.9
55.01881	2.9
55.05517	3.3
65.03951	1.8
65.34145	1.7
67.05511	5.4
69.03444	3.4
69.07085	4.0
69.36021	12.6
71.04986	3.5
78.04678	2.2
79.05502	16.5
81.07072	10.4
83.04987	2.9
91.05460	12.3
93.07045	8.5
94.04172	3.1
95.04951	5.7
95.08597	6.7
97.06527	6.6
105.07042	8.6
107.04975	21.5
107.08614	5.2
109.06518	5.5
109.10173	5.8
111.04471	2.7
115.05455	6.4
116.06216	3.7
117.07046	4.7
119.04952	2.7
119.08573	4.4
121.02849	2.4
121.06535	3.7
121.10141	5.6
122.03660	8.5
122.09752	1.8
123.04461	5.8
123.08070	3.2
124.05209	3.5
125.06028	2.5
128.06241	6.8
129.07018	13.9
130.07768	2.4
131.04951	5.1
131.08574	15.0
133.06487	3.0
133.10188	4.0
135.04466	3.3
135.08090	2.7
135.11674	2.7
137.05984	100.0
141.07011	6.5
142.07860	2.1
144.05707	11.5
145.06499	5.7
145.10110	3.7
147.04408	2.3
147.11708	4.7
149.06026	3.3
151.03979	2.1
151.07518	6.5
153.05496	4.2
153.06859	2.0
156.05705	24.3
157.06525	7.5
158.07309	3.0
159.08060	20.0
159.11742	2.5
160.05157	2.6
161.05959	8.4
163.03966	3.3
165.05446	3.3
167.07057	59.7
169.06465	4.5
169.07726	2.4
172.05202	6.6
174.06755	7.2
175.07578	14.8
176.04617	1.9
177.05521	6.3
178.07713	3.3
179.07065	3.8
179.08519	2.3
181.06531	2.1
184.05173	5.2
186.06642	2.5
187.07561	29.6
189.07111	4.2
189.09116	8.0
190.07826	4.2
191.06929	2.3
198.06705	3.0
199.07549	3.7
201.07199	2.4
201.09044	4.2
202.06239	8.2
202.07901	4.0
203.08565	10.5
204.07753	3.1
205.06583	3.4
205.08531	4.3
206.07260	7.1
207.08136	3.8
208.07043	3.3
211.07611	3.8
215.06953	4.6
215.08751	4.3
216.09241	2.0
217.06627	4.3
217.08611	76.4
218.07262	13.4
219.08109	7.0
219.10103	4.0
220.08917	2.5
221.06143	2.3
221.09666	9.8
223.07501	3.2
224.04727	4.0
226.06215	4.3
227.06990	3.5
231.08093	10.1
232.08960	4.5
233.09593	20.4
234.06725	10.8
235.07585	11.4
236.08269	2.0
238.09975	3.1
239.07037	22.4
239.30925	2.2
241.08571	12.5
242.05791	5.0
245.05931	2.7
246.06757	6.2
247.07503	7.2
247.09706	27.0
248.08391	7.5
249.09134	27.2
250.06509	1.9
250.09877	5.6
251.07193	6.2
252.07837	8.3
255.06671	2.6
256.07230	2.8
257.08054	6.3
259.07523	3.1
260.08459	6.5
261.09122	26.9
262.06326	5.4
262.09879	2.9
263.07007	11.1
263.10641	4.6
264.07758	3.9
265.08633	4.6
266.09323	8.2
269.08188	5.8
270.08560	2.0
271.05994	7.1
276.07809	3.0
277.08624	24.4
278.09457	12.8
279.06531	6.3
279.10141	6.2
280.07233	4.7
281.11703	13.8
282.09006	2.9
285.07568	61.7
286.08344	4.4
289.08527	11.0
291.06790	3.1
291.10132	5.5
292.07336	2.6
292.10800	3.2
293.08298	4.2
293.11603	21.5
294.08862	3.8
295.09650	8.0
296.10550	3.1
298.08447	3.0
300.09927	62.8
301.10727	16.0
306.08865	5.1
307.09650	9.4
308.06763	4.9
309.03845	2.6
309.11218	27.1
310.11829	2.9
311.09363	3.0
311.12766	2.9
312.06369	3.0
313.10748	9.8
318.10474	2.6
321.11243	38.3
322.11990	4.6
323.09134	8.0
325.10745	2.2
325.14493	2.4
326.11505	19.2
327.08514	5.4
327.12109	3.7
338.11572	8.4
339.12384	5.8
341.13904	21.5
343.15652	2.9
353.13837	64.7
356.05466	3.1
371.07495	6.6
371.11255	3.1
371.14917	42.9
371.25674	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47417	3.1
53.03936	10.9
55.01867	8.9
55.05513	48.3
55.14679	3.5
55.14948	3.5
57.03446	17.2
57.07066	6.6
57.75582	3.3
67.05508	100.0
69.07076	37.4
69.51527	23.1
71.04995	7.3
71.08634	46.0
74.35111	3.1
74.85648	3.3
76.97095	3.5
79.05491	53.1
81.03403	15.7
81.07058	80.8
83.04970	13.8
83.08624	23.7
85.06531	5.9
91.05489	42.9
93.07052	70.2
95.04959	22.4
95.08611	42.2
95.60234	4.1
97.06524	15.1
97.10168	26.2
99.07500	4.7
99.08097	39.1
102.32639	3.1
105.07033	36.2
107.04960	5.8
107.08590	36.6
109.06524	12.2
109.10172	35.1
110.67937	3.6
111.08080	8.9
117.06998	9.9
119.04955	3.7
119.08573	20.3
121.10112	21.4
123.08073	6.5
123.11737	8.3
125.09666	17.0
129.07002	7.2
131.08569	11.9
133.10139	27.4
135.04453	7.6
135.11681	21.1
137.09637	4.3
139.11143	3.4
143.08574	6.9
145.10129	11.1
145.90395	3.5
147.04404	6.1
147.08029	6.6
147.11697	17.1
149.09639	3.8
149.13274	19.6
151.07524	10.8
151.11191	48.1
158.03404	3.7
159.11673	11.4
161.13261	24.6
163.11212	18.5
165.12801	9.9
167.07024	24.8
169.01198	3.7
171.11633	6.8
173.11752	15.8
173.13205	6.5
175.14771	5.6
177.12820	5.0
179.14345	9.5
183.02946	3.3
183.63252	3.6
185.13037	4.1
189.09099	15.2
189.11179	20.4
194.95610	3.8
195.13855	7.3
200.04633	3.3
207.06435	9.4
221.15508	3.5
227.12787	16.2
228.04041	4.3
231.21118	5.5
233.11676	4.2
241.19635	8.0
244.03697	10.5
245.13918	8.5
253.18036	8.3
256.03589	9.8
259.05893	4.9
259.20599	17.2
269.04651	3.9
269.17526	16.6
272.03052	5.4
277.21658	96.1
284.03159	14.4
295.22467	5.3
298.04678	5.7
311.05334	4.7
311.08408	5.3
312.02597	9.1
313.06924	16.0
315.05063	10.0
327.04825	29.3
339.04642	4.1
351.25342	68.4
354.07339	20.7
369.09634	60.5
369.16776	21.8
369.26587	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	2.3
55.05310	1.3
55.05513	13.2
57.03436	6.2
57.07064	3.7
59.04969	1.3
59.76997	1.2
65.03941	1.5
67.05509	38.7
69.07078	11.5
69.25240	12.1
71.04999	2.1
71.08637	38.5
79.05498	36.1
81.03422	4.5
81.06596	2.7
81.07066	46.5
82.04162	1.3
83.04977	10.7
83.08610	7.6
85.06523	3.1
91.04971	2.1
91.05487	23.4
93.07053	55.0
95.04971	7.5
95.08617	31.7
97.06552	6.8
97.10160	4.2
98.21486	2.4
99.08102	30.1
105.04514	1.5
105.06394	1.7
105.07040	16.0
107.04956	6.8
107.08597	29.7
109.06515	4.4
109.10158	13.0
111.08067	2.6
113.09652	2.9
117.07014	2.9
119.08598	17.5
121.06492	1.4
121.10156	27.5
122.10554	1.8
123.08103	2.2
123.11710	1.8
125.09589	2.7
129.07002	2.8
131.08542	6.9
133.10127	13.7
135.08015	2.6
135.11703	33.3
137.09607	2.9
141.09113	3.9
143.08595	2.0
145.10130	4.3
145.52594	1.4
147.11670	3.9
149.13271	9.6
151.11169	14.0
157.10118	1.5
159.11778	3.3
161.13266	9.4
163.11180	4.4
163.14766	1.5
165.12769	6.9
167.10693	1.6
169.01012	1.1
173.13245	1.7
175.14752	2.5
177.12708	2.5
179.14326	100.0
185.13245	3.0
189.12778	2.7
199.14908	2.2
221.15363	2.2
235.16911	4.3
241.19652	1.5
259.20639	3.9
277.21628	55.3
286.04727	2.0
289.21588	2.7
293.17337	1.7
301.06723	1.4
313.07071	2.6
313.11649	1.5
339.07642	7.1
351.25305	63.6
369.12445	29.6
369.23853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
50.98935	0.2
61.37872	0.2
69.07019	1.7
69.53889	0.7
69.54311	0.9
81.04657	0.3
84.43399	0.2
91.05408	0.2
98.21559	0.5
98.77809	0.2
106.04148	0.4
106.20649	0.2
109.10115	0.3
115.19105	0.2
117.03391	0.3
124.93353	0.2
134.03656	1.3
151.03900	0.5
151.07465	0.3
155.72084	0.2
165.01761	0.8
194.44131	0.2
201.09125	0.2
213.05446	0.8
214.06247	0.7
225.05447	0.2
241.04964	3.3
242.05792	1.0
253.04784	0.3
269.04514	0.8
270.05228	4.6
281.04330	0.3
286.04590	1.4
295.21872	1.1
297.03888	0.8
298.04733	37.9
299.05045	0.5
301.07086	1.7
313.07062	100.0
314.07324	1.6
369.08777	0.5
369.13370	10.9
370.13892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
53.03948	1.2
55.01867	2.4
55.05514	2.2
56.05014	0.9
67.05510	4.9
69.03423	4.0
69.07075	55.8
69.34817	6.0
69.35224	2.0
79.05509	8.0
81.03407	2.0
81.07053	4.1
85.02890	1.1
91.05505	7.9
93.07050	3.7
95.04996	2.1
95.08606	2.8
97.02919	1.6
97.06541	30.4
98.06844	1.4
98.21577	2.0
101.89725	1.0
103.05450	1.3
105.03400	1.2
105.07026	1.5
107.08586	1.9
109.06507	1.4
109.10154	2.7
115.23533	1.0
117.07014	1.4
119.04935	6.4
119.08570	2.4
121.02883	1.8
121.06511	1.0
121.10128	1.7
123.04419	1.0
127.03904	0.9
128.06190	1.0
131.04929	3.7
131.08572	3.0
133.10162	1.8
137.09584	1.1
143.08585	1.1
145.02873	1.7
145.06487	1.8
147.04480	6.1
147.08052	1.1
149.09544	1.1
155.08572	1.4
155.10620	1.3
157.03979	1.4
159.11642	1.4
165.06990	1.2
168.00529	6.0
169.01306	4.7
169.10060	1.2
171.04465	1.9
172.05193	1.2
173.05995	2.3
175.03902	9.0
177.05460	1.8
179.07082	1.0
181.06503	1.1
181.10126	1.8
183.02908	3.5
183.08125	1.6
185.05946	3.7
186.01605	2.5
186.06822	2.8
194.47768	1.0
195.08170	2.0
197.06056	1.5
199.07562	3.3
201.09163	1.8
207.06517	19.0
209.09680	1.7
211.07509	1.0
211.59381	1.0
223.07657	1.0
223.11220	1.7
225.05501	1.2
225.09129	1.9
227.07130	1.1
227.10605	2.4
241.08733	1.0
242.05864	1.0
255.06496	1.5
257.04382	1.5
268.03784	1.0
269.04480	4.6
269.07614	1.0
269.11615	1.2
270.05225	18.1
271.06064	2.0
271.08932	1.0
273.11139	3.8
283.09546	2.5
285.03885	4.7
285.07483	2.8
286.04736	43.7
295.05917	3.2
298.04718	14.7
299.05478	1.9
301.07083	61.3
309.11139	1.5
311.05499	2.2
313.07080	85.8
323.16330	1.4
325.10660	1.7
325.14197	2.6
327.05176	1.8
327.08710	2.7
339.05051	4.5
351.11456	1.7
351.15887	1.4
353.06354	1.7
354.07333	14.0
369.09503	24.3
369.13312	100.0
369.17075	10.3
369.23462	1.9
370.13727	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
51.34931	0.6
53.03947	0.7
55.01866	1.0
55.05503	1.0
57.03442	1.6
58.91434	0.7
59.08055	0.7
65.12162	0.8
67.05492	2.4
69.03435	2.2
69.07075	57.3
70.07405	1.0
71.52421	0.8
75.05872	0.7
79.05509	3.8
81.03416	0.9
81.07052	2.3
86.90294	0.6
91.05502	3.9
93.07040	1.9
95.04987	1.5
95.08604	1.1
97.06541	16.0
98.06890	1.2
99.79137	0.7
103.05482	1.2
104.06285	0.9
105.07066	1.3
107.08605	1.5
109.06537	1.1
109.10178	2.2
119.04967	4.0
119.08586	1.9
121.10192	1.4
123.04433	0.8
131.04951	2.7
131.08614	1.0
132.05666	0.9
137.06007	0.9
138.18152	0.7
141.06981	0.9
145.02785	0.8
145.06425	0.9
145.10196	0.7
147.04407	3.3
149.09731	1.2
150.06572	0.7
160.05212	0.7
161.09674	0.9
165.07007	0.9
168.00568	5.8
169.01329	1.9
171.04501	1.2
173.06023	1.0
175.03897	5.7
177.05420	1.0
181.06505	1.1
183.02937	2.7
185.06007	2.1
186.01617	2.0
186.06837	1.0
187.07726	1.1
195.07994	1.1
197.06042	1.3
199.07487	1.5
201.09297	0.8
207.06552	11.0
209.09615	0.8
214.06296	1.5
225.05524	1.1
225.09097	1.5
237.09137	0.9
242.05794	1.1
251.07104	0.8
255.10060	1.0
257.04504	0.9
257.08224	1.6
258.05127	0.8
269.04474	5.5
269.11740	1.5
270.05264	15.8
271.06049	3.1
273.11169	1.9
279.13806	0.8
283.06143	1.0
283.09708	0.9
285.03979	5.0
285.07623	4.0
286.04758	45.0
295.05930	2.1
298.04752	15.9
299.05542	3.0
301.07083	61.0
311.05566	1.7
313.07074	87.4
323.16302	1.6
325.07162	1.2
325.14221	1.6
327.04926	0.8
327.08545	1.5
339.04865	3.7
351.12039	1.4
351.16199	1.0
353.06628	1.2
354.07196	6.9
354.10355	0.8
369.09589	15.2
369.13409	100.0
369.16919	5.9
370.13730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01863	9.9
55.05512	44.3
55.70342	3.8
57.03439	18.1
57.07080	6.9
59.04990	4.2
65.03953	4.4
67.05508	100.0
68.51635	3.3
69.03418	5.5
69.06800	3.1
69.07073	36.5
70.79946	3.3
71.04972	11.0
71.08283	5.0
71.08636	42.4
72.04502	10.6
79.05492	68.1
81.03413	18.3
81.07056	75.1
81.68175	3.2
83.04996	19.8
83.08629	25.7
85.06512	4.5
91.05479	47.2
93.07046	72.4
95.04983	24.6
95.08612	42.7
96.49476	3.6
97.06521	14.0
97.10175	18.0
99.08096	37.7
101.05921	4.3
105.07053	33.6
107.04909	6.1
107.08597	38.9
109.06521	9.8
109.10164	29.3
111.08107	4.9
117.07005	15.7
119.04945	6.5
119.08577	29.6
121.06477	9.8
121.10136	26.5
123.11718	6.1
125.09622	11.0
129.07016	6.5
131.04915	5.3
131.08640	17.3
133.10135	26.1
135.11690	26.9
137.05965	6.2
137.09660	7.4
143.08542	10.3
145.10114	13.6
147.11723	21.0
149.09607	6.0
149.13295	21.5
151.07445	4.6
151.11180	59.7
157.10123	8.6
159.11713	11.0
161.09529	4.3
161.13275	23.3
163.11157	19.8
163.14867	5.5
165.12767	8.8
171.11671	9.0
173.11722	17.5
173.13245	7.6
175.04005	3.8
175.11136	4.8
177.12694	6.6
179.14337	18.1
185.17354	5.3
187.11189	4.1
189.11194	10.9
189.12706	5.2
193.15991	5.1
193.92551	3.4
195.13776	10.5
199.14819	5.0
201.16162	3.6
202.18117	6.6
203.18323	8.6
207.06465	4.4
207.13708	6.6
221.98180	3.5
227.12787	13.9
228.32449	4.2
229.14279	4.9
241.19518	11.0
244.03679	7.3
245.13948	11.1
253.17973	8.1
256.03638	17.3
259.06046	7.1
259.20618	13.1
269.04309	3.8
269.17474	29.0
270.05209	8.8
272.03311	5.2
277.18417	6.1
277.21634	88.8
284.03268	17.2
287.05536	5.1
295.22623	4.1
298.04816	4.5
311.05634	5.8
312.02670	14.5
313.06979	24.5
315.05008	12.4
322.73999	3.6
327.05054	38.7
339.04993	4.9
342.90927	4.0
351.25290	70.6
352.25568	4.1
354.07303	25.8
369.05344	5.0
369.09683	78.5
369.16495	8.3
369.26865	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	369.1338
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
53.03942	0.5
55.01885	0.4
55.05516	0.9
57.03453	0.6
64.55612	0.4
67.05519	2.4
68.99827	0.9
69.03439	1.2
69.07079	53.9
71.04996	0.5
71.06491	0.6
79.05502	1.9
81.03433	1.2
81.07057	1.9
83.04978	0.6
83.08644	0.4
85.02914	0.6
91.05501	2.8
93.07070	1.5
95.04949	0.4
95.08614	0.9
97.06546	6.6
98.06866	0.5
103.05499	0.7
105.07024	1.2
107.04955	0.6
107.08596	1.3
109.06557	0.5
109.10171	0.8
119.04969	3.8
119.08585	0.7
121.06576	0.4
121.10147	0.6
123.04448	0.7
123.11710	0.5
127.03940	0.7
129.06999	0.4
131.04964	1.6
131.08585	0.4
135.04529	0.4
135.11754	0.5
137.05928	0.7
140.01108	0.5
141.06978	0.6
144.05649	0.4
145.06508	0.8
147.04430	3.8
147.11707	1.0
151.07588	1.2
155.08437	0.6
157.06531	0.6
159.04453	0.5
161.05963	0.5
168.00580	4.0
169.01364	3.6
169.06505	1.0
171.04395	0.6
172.05194	0.4
173.05998	1.6
174.06889	0.4
175.03949	5.6
177.05537	0.6
179.07033	0.7
183.02928	3.2
185.05992	1.5
186.01624	2.5
186.06783	1.3
187.07544	1.1
187.15843	0.4
189.09248	0.5
197.05986	0.9
199.07614	1.3
201.09068	0.7
207.06549	11.7
207.08388	0.6
211.07582	0.4
213.05511	1.5
214.06236	0.8
224.04736	0.5
225.05618	0.6
227.07149	0.4
229.05022	0.5
237.09467	0.4
239.07213	0.4
241.04990	0.7
242.05811	1.5
243.06471	0.4
253.05138	0.6
255.06616	0.5
255.10208	0.5
257.04340	0.5
257.08127	0.7
258.05286	1.4
263.07285	0.4
266.06058	0.4
267.06616	0.7
269.04456	4.3
270.05273	13.8
271.05997	1.4
271.24606	0.5
273.07748	0.4
273.11304	0.6
281.04434	0.7
282.05276	0.7
283.06140	1.0
283.09497	0.4
285.03961	4.1
285.07602	3.0
286.04752	41.3
287.05219	0.7
293.11942	0.4
295.06061	2.5
295.09116	0.3
297.03992	0.9
298.04779	11.3
298.08218	0.6
298.11871	0.6
299.05530	3.0
301.07104	54.9
302.07529	0.9
308.06927	0.7
309.07324	0.6
311.05533	2.6
313.07095	70.0
314.07455	1.1
323.09143	0.5
325.07132	0.5
325.14285	0.8
327.05057	0.7
327.08679	0.9
333.24298	0.9
335.05554	0.5
336.06186	1.0
336.10046	0.5
337.10800	0.6
339.05014	5.6
339.08765	1.0
341.10220	0.9
351.11310	1.6
351.15634	0.4
351.25235	0.5
353.06488	0.8
354.07327	10.3
369.09610	14.3
369.13461	100.0
370.09814	0.5
370.13770	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
54.99647	0.5
60.67142	0.5
63.02375	0.6
63.44870	0.5
67.80293	0.5
70.08326	2.2
71.58735	0.5
78.04731	0.7
81.11965	0.5
89.03918	8.3
91.05515	0.6
95.04961	0.8
96.71698	0.4
98.21425	0.7
106.04187	0.5
117.03384	25.8
118.03692	0.6
126.52995	0.5
134.03648	2.3
145.02855	56.8
149.05986	8.0
177.05479	100.0
178.05865	1.0
207.06512	0.9
251.84087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02386	0.4
52.08665	0.6
53.03939	0.8
55.01874	0.6
55.05518	0.7
57.03436	0.7
65.03947	0.9
67.05500	0.8
69.03434	2.5
69.07046	0.6
70.06585	1.8
70.90572	0.6
71.05006	0.5
71.51945	0.7
79.05492	1.1
81.03411	2.0
81.07083	0.9
82.06544	0.6
83.04979	1.1
84.08161	0.8
85.02898	2.4
86.09695	1.2
89.03927	7.4
91.05486	5.4
93.07014	0.7
95.04963	1.4
95.08592	0.8
97.02895	1.8
97.06527	0.6
99.04475	1.2
102.83585	0.5
105.03380	1.7
105.07017	1.0
106.04204	0.6
107.04941	1.0
107.08587	0.7
109.02859	1.4
109.06486	0.9
117.03391	21.4
119.04960	5.5
119.08596	1.6
121.02937	0.7
121.10225	0.5
123.04398	0.8
124.03973	0.9
124.07526	0.7
127.03882	1.6
131.04924	0.9
131.08606	0.9
133.06488	0.6
133.10149	1.0
134.03642	1.5
135.04419	1.7
135.08130	0.5
137.05951	0.6
145.02855	52.2
145.10223	0.7
147.04405	4.9
149.05997	9.3
149.09602	0.6
151.03952	0.7
151.07567	1.2
156.09467	0.6
163.03909	0.7
167.03426	0.6
167.06898	0.8
171.11624	0.7
175.03928	7.2
175.11246	0.5
177.05482	100.0
178.05940	0.8
179.06972	0.8
186.05516	0.7
187.07495	0.6
189.09146	0.9
189.12762	1.7
191.14349	0.8
195.06377	0.7
207.06512	14.5
207.13875	1.8
215.07106	0.5
247.07591	0.8
250.00435	0.5
265.08704	0.6
321.58743	0.6
351.10910	2.2
369.11469	0.6
369.15463	7.1
369.19928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
53.00304	0.7
56.11146	0.3
61.26497	0.3
67.05497	1.6
68.99802	0.6
69.07074	60.1
69.61427	2.2
86.71209	0.3
103.05461	0.8
110.16541	0.3
131.04900	1.6
131.51965	0.3
132.05695	0.5
142.73334	0.3
148.71327	0.3
154.28009	0.3
157.02869	0.9
161.46204	0.4
168.00539	4.6
168.05927	0.3
169.01331	1.9
182.95345	0.4
183.02931	2.2
184.05281	0.3
185.05974	0.8
186.01614	1.2
186.06810	0.7
196.54388	0.3
197.06012	0.6
199.03902	0.3
200.04628	0.4
212.04843	0.6
213.05524	0.5
214.06233	1.2
240.04198	0.5
241.05098	0.7
242.05748	1.5
244.61148	0.3
253.04930	0.7
256.03726	0.6
257.04437	0.5
257.08224	0.5
258.05295	1.4
268.03619	0.6
269.04480	4.5
270.05234	16.1
270.75912	0.3
271.05905	1.6
283.05963	0.4
285.03995	5.7
285.07584	3.1
286.04739	46.7
287.05130	0.8
295.05887	2.3
297.03870	0.5
298.04749	11.9
299.05582	2.6
301.07089	64.2
302.07449	1.2
311.05527	0.7
313.07071	75.5
314.07391	1.0
325.07138	0.5
327.05023	0.6
339.08646	0.6
369.13367	100.0
370.13580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56168	1.0
52.41295	1.0
53.78655	1.2
55.05516	5.1
57.07079	2.2
58.71264	1.1
61.82207	0.9
67.05513	10.0
69.07082	11.0
71.04995	1.4
71.08632	7.2
71.52218	1.4
71.52589	1.1
72.08139	2.8
79.05487	4.0
81.07059	15.4
83.04988	2.2
83.08609	4.9
84.61023	1.0
85.06541	2.4
91.05483	3.7
93.07063	6.1
95.04987	1.2
95.08611	13.0
97.06529	4.1
97.10196	1.3
99.08102	6.2
100.77171	1.2
105.07023	3.5
107.08604	6.3
109.06511	4.5
109.10170	7.6
109.78935	1.1
119.08595	4.6
121.10164	4.0
123.08098	13.4
123.11741	3.3
125.74947	1.0
131.08549	2.0
133.10086	5.4
134.03578	1.7
135.08058	2.9
137.09624	1.9
145.10139	2.6
149.09634	2.4
149.13264	2.3
153.12753	3.2
159.11647	2.3
178.22235	1.2
179.14328	19.0
180.67165	0.9
182.58617	1.0
185.13283	1.0
189.16370	2.2
191.14299	2.1
203.03419	1.6
235.20137	1.1
251.20055	6.3
268.35703	1.2
281.08148	2.5
282.05167	1.1
293.21100	5.1
298.04776	8.8
303.26871	7.7
309.07675	3.7
310.04791	1.8
311.09073	1.4
313.07007	10.9
317.08041	1.2
321.27884	1.7
323.05600	1.6
325.06961	2.8
325.10736	1.5
331.26361	26.0
334.08218	2.6
335.09320	1.9
337.07166	10.0
338.07785	2.2
339.08566	2.0
349.27405	57.1
352.09424	10.9
367.11786	100.0
367.28394	4.6
367.33185	1.2
368.12003	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55343	1.9
57.03426	10.6
59.05002	2.5
67.05489	4.0
67.65496	2.3
69.07064	3.1
69.15284	2.0
70.06587	6.9
71.51164	2.1
73.54614	2.0
79.41492	2.3
85.02899	2.5
86.09717	2.4
87.60469	2.0
88.89093	2.0
91.05509	2.5
95.04975	7.4
95.08607	2.6
97.06528	5.3
98.10951	1.9
113.05999	10.0
123.04392	4.1
128.06149	2.7
129.07010	3.4
131.04875	3.5
141.06992	2.7
143.08574	4.1
145.06490	5.3
147.04379	8.8
149.05916	2.8
153.07018	3.8
157.06523	5.3
160.05167	4.1
161.05984	38.5
161.07268	3.5
163.07484	5.2
167.08611	4.6
169.06488	3.3
171.08087	5.8
173.05960	9.0
175.03955	7.7
175.07544	16.7
176.04749	4.6
177.05490	8.6
177.09085	2.8
181.06479	2.7
186.06894	2.8
187.03838	2.9
187.07552	100.0
189.05562	4.0
189.09111	28.6
191.03444	3.6
191.07004	3.7
193.05034	5.1
195.08110	5.3
197.09634	2.6
199.07603	12.2
201.05501	4.1
201.09081	14.3
203.03467	3.2
203.07022	10.9
205.08606	38.7
207.06422	3.5
213.05542	7.4
213.09108	18.2
217.08623	61.8
219.10158	10.9
221.04445	11.9
223.07570	6.7
225.09172	7.0
227.07097	14.8
228.07832	5.2
229.08705	2.4
231.06523	19.3
231.10156	4.8
233.08067	5.3
241.08597	34.7
243.10223	2.7
245.08104	26.1
247.05948	2.3
258.05276	7.5
259.09698	28.3
269.08032	15.8
277.10803	20.4
287.09152	54.3
305.06671	4.9
305.10226	88.2
323.11249	4.4
333.09729	28.4
351.10770	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01868	2.8
55.05518	15.1
56.05043	1.0
57.03437	2.2
58.06606	4.5
60.04532	17.7
64.28661	0.6
67.00237	0.7
67.05507	13.4
67.35578	0.6
68.05027	1.4
68.05832	0.8
69.03448	3.9
69.06728	1.3
69.07077	16.5
70.06597	2.5
70.07403	0.9
71.05000	7.1
72.04517	1.9
72.08156	0.7
79.05501	17.0
79.05968	0.8
80.05019	1.6
80.05820	2.4
80.06256	0.7
81.03418	3.1
81.07060	12.3
82.06580	1.0
83.04971	2.9
83.08627	9.2
84.08150	8.9
85.06551	2.3
86.09715	23.0
88.07623	2.7
91.05495	5.5
93.07050	10.8
94.06596	1.4
95.04988	5.9
95.08613	6.7
96.08139	2.8
97.06540	43.7
97.10178	16.2
98.06877	13.7
98.21554	1.3
100.07618	2.2
102.66843	0.9
105.07038	6.8
106.06555	0.7
107.04948	1.6
107.08601	7.7
108.08156	1.7
109.06516	5.3
109.10158	3.5
110.06047	2.3
110.09720	0.9
111.08081	1.4
112.07622	24.2
113.06055	1.5
114.09199	0.7
117.07008	3.5
119.04912	1.1
119.08601	4.7
121.02834	0.8
121.06511	1.1
121.10159	7.8
122.09669	6.1
123.08070	2.3
123.11674	0.8
124.07619	1.6
125.09635	12.3
128.10725	23.6
129.07014	1.7
130.08659	2.0
131.08598	3.4
133.10149	2.8
134.09651	0.8
135.08046	3.6
135.11708	2.6
138.12798	2.8
143.08559	1.3
145.06488	1.4
145.10149	4.0
147.08084	1.1
147.11598	1.1
148.11217	2.0
149.09628	2.3
149.13312	1.2
153.09120	0.9
154.08678	6.2
154.12173	1.3
156.10236	2.3
157.10152	1.7
159.11719	3.4
161.09666	1.3
169.01350	0.8
169.10133	0.9
171.11688	1.3
172.09706	8.6
172.13301	0.9
175.03944	1.3
175.11035	0.9
177.12770	1.5
180.08998	0.8
180.13835	11.8
184.03218	0.9
185.13277	0.9
187.11223	1.6
189.11241	8.2
194.15407	0.7
196.13449	0.8
202.09467	1.0
207.06502	1.7
211.07370	1.1
212.07945	1.3
217.15813	1.2
221.15305	1.4
222.14891	1.4
223.13226	3.9
225.09146	2.5
226.09496	3.1
229.18872	1.1
242.09093	0.8
253.08490	0.9
254.08994	1.1
268.10620	1.2
271.09698	0.8
272.09915	3.6
272.20096	1.7
273.18509	4.9
273.21579	0.7
286.04889	1.4
290.21118	6.2
291.19608	8.0
298.15247	1.4
301.07056	1.5
308.22238	8.9
313.07205	2.8
322.15240	2.7
324.13141	1.5
332.22318	1.6
340.16251	1.1
350.23309	19.2
354.07544	1.2
368.12000	4.5
368.15915	7.9
368.24350	100.0
369.09634	2.4
369.13330	3.3
369.24683	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.4
55.01870	2.8
55.05513	18.5
57.07069	6.5
59.04997	2.6
65.03934	3.5
67.05508	42.5
69.03436	6.8
69.03815	2.0
69.07069	23.5
69.75990	12.6
71.04984	8.2
73.80697	2.0
79.05078	2.5
79.05502	32.7
80.77855	2.0
81.06590	4.2
81.07059	52.0
83.04964	3.4
83.08627	8.1
85.06535	5.8
91.04911	2.7
91.05484	54.6
93.07050	77.6
95.04990	30.9
95.08610	67.1
97.06527	15.7
99.08122	3.1
103.05441	3.7
105.04536	3.3
105.07040	96.6
105.47653	1.9
107.04955	3.3
107.08596	56.0
109.06519	18.7
109.10164	43.2
111.08110	5.4
115.05461	7.0
116.06232	4.6
117.07011	22.4
119.04880	2.4
119.08587	100.0
121.06552	11.8
121.10146	48.6
123.08094	7.1
123.11725	17.8
128.06198	12.8
129.07034	15.0
130.07809	8.7
131.08583	64.0
133.10136	63.2
135.08054	17.1
135.11685	28.8
136.17583	2.3
137.09608	6.3
139.11285	2.9
141.06973	7.3
142.07791	21.5
143.08577	40.3
144.09323	14.1
145.06454	3.1
145.10130	66.8
146.07251	3.1
147.08131	10.9
147.11702	20.7
149.09644	19.0
149.13293	7.0
155.08569	13.4
156.09335	13.0
157.10136	53.1
158.10918	9.7
159.08073	7.9
159.11717	38.6
161.09627	39.0
161.13263	9.1
163.11136	3.6
163.14766	2.3
165.07001	2.8
167.08607	8.1
168.09351	6.7
169.10146	20.8
170.10907	8.2
171.11691	28.0
172.08897	3.1
172.12444	5.0
173.09666	7.7
173.13275	23.3
175.11198	8.9
175.14806	17.8
177.12750	3.1
179.08554	9.6
181.10165	8.5
182.10863	6.6
183.11696	21.3
184.12454	4.5
185.09612	4.7
185.13234	15.2
187.11218	2.9
187.14810	14.4
189.12772	2.5
193.10004	3.6
194.10934	8.9
195.11710	13.9
196.12453	6.1
197.13287	14.2
198.14015	2.9
199.11214	3.9
199.14767	12.6
201.12767	6.5
201.16409	5.9
206.10898	2.7
207.11670	6.3
208.12386	3.3
209.13284	26.0
210.14035	5.9
211.14865	9.6
213.12862	5.2
213.16425	6.5
223.14856	5.3
224.15665	3.3
225.16408	4.8
227.14337	20.6
227.18030	2.7
229.15932	6.3
237.16475	4.7
239.17888	7.6
251.17979	2.6
253.19582	4.2
255.17436	6.5
257.19009	3.7
263.17822	2.6
265.19403	3.9
269.19107	4.9
349.25061	10.2
367.26321	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	40.0
57.07087	13.7
59.05016	13.7
61.96019	6.2
67.05515	56.6
69.07060	26.4
69.96208	27.1
71.05003	10.1
76.68786	6.9
79.05501	38.8
81.07065	62.6
83.08598	12.1
85.06548	37.8
91.05486	56.5
91.13744	7.4
93.07051	91.4
94.37138	6.1
95.04993	37.7
95.08611	62.7
96.55854	6.1
97.06515	22.0
98.20829	9.1
105.07034	87.9
107.08596	74.3
109.06516	16.9
109.10165	54.6
111.08067	10.7
115.05479	9.6
117.07033	25.8
119.08590	100.0
121.06500	11.9
121.10179	53.6
123.08044	11.3
123.11683	11.7
127.38314	6.7
128.06265	9.2
129.07027	19.9
130.07851	8.4
131.08578	69.9
133.10129	71.5
133.97121	7.7
135.08018	25.9
135.11702	30.2
137.09668	14.0
142.07791	14.6
143.08588	38.0
144.09337	15.8
145.10152	67.3
147.08038	15.7
147.11696	19.3
149.09627	19.9
155.08525	11.4
156.09273	10.9
157.10146	57.0
159.08073	11.3
159.11679	52.6
161.09633	53.9
161.13295	10.1
163.11189	7.0
169.10185	22.6
170.10945	9.6
171.11690	27.6
173.09528	6.6
173.13260	30.3
175.11256	8.9
175.14824	21.3
177.12851	11.1
182.10771	6.5
183.11693	22.1
185.13242	16.8
187.14816	16.0
194.10872	8.1
195.11725	16.3
197.13228	22.4
199.14871	16.0
209.13231	30.3
211.14857	10.3
213.16441	10.6
217.15921	6.6
223.14798	9.1
227.14319	23.7
237.16246	7.2
239.17905	12.3
251.17934	9.3
275.20319	7.4
367.11804	13.4
367.26160	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01630	1.6
55.01875	17.8
55.05275	2.1
55.05517	29.5
56.98896	1.4
57.03447	13.7
57.07057	1.8
59.04992	2.2
62.48664	1.5
65.03937	4.0
67.05509	60.2
69.03429	6.6
69.06734	2.4
69.07076	30.4
70.48453	4.7
71.04991	4.5
71.05372	1.5
79.05499	50.7
81.03404	4.9
81.07064	100.0
83.04983	7.7
83.08625	16.1
85.06541	2.6
91.05492	42.6
93.07052	43.2
95.04972	12.4
95.07996	1.8
95.08611	37.4
97.06543	31.1
97.10181	6.2
98.20883	1.7
99.08086	4.1
103.05472	2.6
105.07043	50.6
107.04955	13.7
107.08604	38.8
109.06515	11.5
109.10168	20.3
111.08068	5.9
115.05481	2.1
117.07034	16.3
119.08596	38.4
121.06515	7.1
121.10158	19.4
123.08062	7.7
123.11725	8.9
125.09648	6.6
127.07575	2.4
129.06996	4.7
131.08568	21.8
133.10146	30.1
134.03603	1.7
135.08073	8.5
135.11684	13.4
137.02344	6.9
137.09586	7.4
143.08566	3.8
145.06490	2.8
145.10121	20.7
147.08044	2.7
147.11702	20.9
149.09641	22.4
149.13263	7.7
151.07585	2.3
151.11186	7.3
155.08604	3.5
157.10144	7.8
159.11707	15.2
161.09627	2.4
161.13293	4.7
163.11205	9.4
163.37939	1.6
165.12769	4.9
169.10208	4.2
169.12221	1.7
171.10216	3.8
171.11679	3.6
173.13278	6.7
175.11212	3.1
175.14850	1.7
177.12733	5.7
183.02817	2.1
183.11674	3.5
185.13263	2.9
187.11287	2.1
187.14864	1.7
189.11206	3.7
189.12808	2.2
191.14275	2.0
193.12178	2.5
197.13229	2.2
213.05539	14.3
214.06171	2.8
215.06891	1.6
215.17926	2.0
225.05472	2.9
227.12886	3.9
229.19452	3.2
239.07076	2.2
239.18034	5.6
241.05023	7.6
245.13936	3.3
247.20544	7.9
253.04987	4.9
257.19058	14.5
267.06470	8.9
269.04541	8.2
269.17523	5.3
270.05219	15.5
271.06039	5.6
275.20081	83.1
281.04501	23.8
293.08246	2.1
293.21152	6.4
294.05002	1.6
323.09122	12.9
337.07129	3.3
349.10764	2.4
349.23770	34.2
367.11792	97.1
367.24756	53.3
368.12225	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58532	1.5
50.96214	1.5
53.03940	7.6
55.01670	1.5
55.01874	17.2
55.05515	57.6
57.03429	6.0
65.03957	1.6
67.05506	57.4
69.03416	3.2
69.07078	13.4
71.04998	4.8
71.16844	4.1
79.05499	100.0
81.03420	4.6
81.07059	41.7
83.04988	26.0
83.08621	17.6
85.06541	3.4
91.05488	44.1
93.06485	3.5
93.07046	52.5
95.04998	8.4
95.08614	21.7
97.06543	11.3
97.10179	22.7
99.08125	2.1
105.07037	46.8
107.04969	39.9
107.08598	69.6
109.06551	4.3
109.10160	28.0
111.08096	4.9
117.07029	14.0
119.08585	28.9
121.06509	3.6
121.10136	22.4
123.08033	4.0
123.11679	6.8
125.09653	25.9
129.06990	2.8
131.08574	19.7
133.10124	26.3
135.08057	12.8
135.11685	6.3
137.09624	2.5
143.08606	3.3
145.10114	16.7
147.08047	1.9
147.11684	19.9
149.09628	72.7
149.13257	4.1
153.09117	6.7
157.10078	2.1
159.11685	9.0
161.13301	5.9
163.11235	4.3
163.14853	6.1
169.10107	2.2
169.12239	6.9
171.10205	3.1
171.11693	3.3
173.11719	6.1
173.13289	9.5
175.11124	2.9
177.12718	1.6
179.14337	2.2
183.11749	2.8
187.11189	2.9
187.13345	4.3
187.14845	2.9
189.11234	21.1
191.14319	3.9
193.12331	1.9
205.12251	2.2
209.15367	11.3
215.17848	2.0
227.12781	11.5
229.19516	9.0
239.17993	3.3
245.13872	6.0
247.20615	4.6
257.19000	18.3
266.73880	2.5
275.20087	87.4
276.20224	2.1
313.06946	3.6
323.05450	7.7
337.07001	2.2
349.23734	75.6
350.24423	2.9
367.11734	19.7
367.24924	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.0
53.03940	2.3
55.01884	4.2
55.05515	21.7
57.03445	8.0
57.07079	1.7
67.05508	18.1
69.03439	1.4
69.07072	20.1
70.01129	2.6
71.04995	1.2
71.08636	28.5
73.06530	0.7
79.05499	13.5
81.03407	3.8
81.07057	16.0
83.04990	4.4
83.08609	5.6
85.06535	0.9
91.05484	6.2
93.07052	9.9
95.04985	5.1
95.08619	7.1
97.06522	3.0
97.10174	10.5
99.07502	1.2
99.08105	18.3
105.07032	4.9
107.04980	1.7
107.08599	7.3
109.06501	2.4
109.10168	5.9
111.08127	1.9
116.39123	0.8
117.07027	3.2
119.08587	2.6
121.06544	2.1
121.10135	2.7
123.08025	1.3
123.11697	1.3
125.09635	7.3
131.08606	2.4
133.10141	2.5
135.11697	1.7
137.09537	1.2
139.11218	2.5
145.10141	2.2
147.11685	1.3
149.09578	1.0
149.13281	2.5
151.11160	0.9
153.09166	1.1
159.11740	1.3
161.09639	1.2
161.13322	1.2
163.11212	1.4
165.12775	1.5
167.10698	4.9
177.12772	2.7
187.11235	1.0
189.11234	4.4
195.13811	1.0
227.12900	1.3
229.19560	1.0
256.67374	0.9
257.18842	1.0
265.21509	1.4
275.20096	9.2
293.21130	100.0
294.21399	2.5
306.21695	0.8
349.55780	0.8
367.11877	1.6
367.24835	45.6
368.25311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
55.01880	19.3
55.05282	2.6
55.05517	38.2
57.03445	23.5
57.07099	8.3
57.07336	1.8
59.04996	3.4
65.03954	4.5
66.11670	1.8
67.05511	100.0
68.25948	1.8
69.03413	6.1
69.06736	2.2
69.07079	25.7
69.77102	4.6
69.77505	4.7
71.04996	9.0
71.08646	8.7
79.05499	56.7
80.92682	1.7
81.03436	15.5
81.07066	94.1
83.04998	20.0
83.08620	22.2
85.02923	2.0
85.06558	10.3
85.10179	2.9
91.05492	71.8
93.07052	52.5
94.57368	1.8
95.04977	26.0
95.08071	3.2
95.08622	42.8
97.02920	4.1
97.06532	12.1
97.10175	5.2
98.21442	2.4
99.04439	2.4
99.08104	9.2
105.07040	63.2
107.04961	14.8
107.08601	46.5
109.06549	13.3
109.10165	55.5
111.04388	3.7
111.08070	6.0
113.06065	2.4
113.09620	3.2
117.07049	10.8
119.08588	18.3
121.06524	5.5
121.10171	14.6
123.04419	2.1
123.08092	13.3
123.11723	13.9
125.09634	12.1
127.07596	3.1
129.06940	1.9
131.08583	19.6
133.06529	4.1
133.10150	81.0
135.08047	7.2
135.11731	14.4
136.69603	1.6
137.09621	16.4
143.08559	3.2
145.10129	13.7
147.08060	2.1
147.11693	8.8
149.09662	9.8
149.13283	5.3
151.11201	55.9
153.12698	2.6
157.10181	2.2
159.11690	8.3
161.09601	7.8
161.13321	1.7
163.11234	12.3
163.14864	3.5
165.09119	6.2
165.12766	4.7
169.12212	8.4
170.10674	2.0
173.13293	6.3
175.11253	2.1
177.12767	6.7
179.10724	4.1
183.44141	1.7
191.10703	2.1
191.14488	2.0
193.12207	2.1
195.13768	3.6
207.13806	2.3
209.11691	4.0
215.12744	3.5
215.14603	2.0
229.19568	3.4
247.20590	6.6
253.14424	7.1
257.19034	5.1
275.20087	42.1
293.21066	13.1
337.07321	1.8
349.23679	15.0
349.27417	2.5
367.11737	5.3
367.15646	2.4
367.24844	57.4
368.25024	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04680	1.4
53.03930	2.6
55.01861	5.0
55.05276	1.5
55.05518	26.4
55.68651	1.5
57.03444	8.0
57.07079	1.8
67.05191	2.0
67.05512	29.2
69.03414	4.5
69.07078	10.1
71.04960	2.0
71.08635	27.9
73.94608	1.3
77.74806	1.6
79.05500	19.9
79.12924	1.3
81.07063	26.9
83.04977	5.5
83.08618	10.9
85.06531	1.6
91.05482	10.0
93.07043	11.5
95.04967	6.0
95.08611	14.3
97.06516	6.7
97.10181	22.8
98.20733	3.9
99.08104	16.8
105.07037	10.2
107.04949	3.6
107.08596	15.7
108.61025	1.3
109.06525	4.2
109.10154	8.4
111.08051	1.4
117.07014	3.0
119.08569	5.6
121.06464	3.6
121.10160	3.7
123.08041	2.8
123.11704	3.5
125.09634	16.2
131.08553	4.9
133.10123	5.6
135.08034	3.8
135.11650	2.7
141.09105	1.6
143.08545	2.2
145.10110	4.3
147.11687	5.3
149.09654	3.1
149.13240	1.8
151.11224	3.9
157.10190	1.9
159.11690	1.8
161.13268	2.2
163.11252	1.8
165.12764	6.2
171.10208	1.4
173.13310	2.7
177.12782	2.2
183.11700	1.4
189.11215	15.4
193.12231	3.4
195.13808	1.9
215.10402	1.3
240.93430	1.4
257.18851	1.5
265.21875	1.7
275.20062	13.1
293.21130	100.0
294.21463	2.0
311.09048	2.2
331.22559	3.6
367.11713	3.4
367.15631	4.1
367.24838	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	12.8
55.01880	32.9
55.05515	29.2
57.03426	9.7
57.07080	4.7
57.63945	2.5
58.89506	2.4
65.03960	4.6
65.20235	2.4
67.05186	4.1
67.05513	50.4
69.03417	3.4
69.07080	35.6
71.03448	5.9
71.04984	4.1
71.08629	2.6
79.05077	4.3
79.05500	46.2
81.03425	21.5
81.07059	64.9
83.04980	13.9
83.08632	13.4
85.06564	4.7
91.05486	55.7
93.07056	50.9
95.01335	11.3
95.04964	12.2
95.08070	3.3
95.08617	38.3
97.02894	2.6
97.06542	45.9
97.10160	8.7
99.08125	3.5
105.07037	71.1
107.04952	25.5
107.08615	25.1
109.06517	7.7
109.10184	15.7
111.08083	6.1
113.09714	3.0
117.07050	17.1
119.08594	33.3
121.06519	6.5
121.10143	12.3
123.04430	3.0
123.08064	7.1
123.11733	4.9
125.09639	10.1
129.06958	3.1
131.08554	21.7
133.10144	41.8
135.08069	8.3
135.11723	10.4
135.64774	2.6
137.09605	7.8
139.07640	2.9
143.08592	6.0
145.10126	15.4
147.11690	18.4
149.09621	14.7
149.13242	5.6
151.11182	9.6
157.10149	5.1
159.11681	16.5
161.13263	7.2
163.11205	8.5
165.09201	2.7
169.10156	3.9
171.11719	6.1
173.13264	5.7
175.11130	2.6
177.12778	7.6
178.58453	2.6
179.14331	11.0
180.07925	2.7
183.11723	5.2
187.11192	2.8
189.11276	3.3
190.54407	2.7
205.12268	3.2
229.19505	4.9
239.17880	3.5
247.20547	6.3
251.27107	2.8
257.18967	9.5
275.20071	100.0
279.16040	4.0
293.21170	9.5
349.23776	64.5
367.11642	7.9
367.15732	4.4
367.25027	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	367.2484
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03939	2.0
55.01867	3.5
55.05522	10.4
55.77213	1.1
57.03435	3.4
57.07077	1.6
64.02207	0.9
65.03935	1.7
65.76014	1.0
67.05515	21.5
69.03425	1.9
69.07069	12.5
70.96084	1.2
70.96390	1.5
71.05005	1.4
71.08646	1.4
79.05499	19.6
81.03399	1.3
81.06599	1.3
81.07066	25.6
81.97527	0.9
83.04983	6.2
83.08619	4.5
84.00991	1.0
85.06567	1.5
91.05486	18.0
93.06489	1.8
93.07048	25.1
95.04977	5.0
95.08614	15.8
97.06516	6.0
97.10159	2.0
105.07034	22.7
107.04972	8.3
107.08601	15.7
109.06534	8.5
109.10175	6.8
111.08119	1.3
115.05418	1.2
116.06224	1.1
117.07036	6.4
119.08606	12.5
121.06524	9.8
121.10157	10.3
123.08052	5.3
123.11667	2.0
125.09663	1.7
129.07014	3.0
131.08595	17.4
133.06514	2.1
133.10136	16.7
135.08070	4.3
135.11758	5.0
137.09647	1.2
143.08560	2.8
145.06490	2.1
145.10138	13.4
147.08058	2.2
147.11699	10.9
147.15334	1.0
149.09615	5.7
149.13268	2.7
151.11168	4.5
155.08524	1.8
157.10143	3.1
159.08112	1.9
159.11713	6.9
161.09621	2.5
161.13234	2.9
163.11195	5.0
169.10153	1.1
171.11710	2.4
173.09651	2.3
173.13263	6.6
175.11183	1.8
177.12759	2.5
183.11670	2.3
187.11244	1.8
187.14857	1.1
191.14325	2.8
197.13217	1.8
199.14890	1.2
201.12778	2.2
201.16426	1.4
207.13831	3.7
215.14438	1.3
215.17984	1.4
219.13847	2.8
229.19534	2.3
231.17577	1.1
239.18042	3.1
247.20592	3.9
257.19034	13.1
275.20093	100.0
293.21082	11.9
337.06931	2.0
349.23770	49.0
350.24017	1.5
367.11667	4.5
367.24854	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36430	1.8
53.03947	5.8
55.01886	18.1
55.05277	2.8
55.05523	35.2
55.18036	1.9
55.40789	1.8
57.03447	15.9
57.07072	2.1
59.05002	2.1
61.41348	1.7
63.66879	1.8
65.03949	3.2
67.05513	71.8
69.03423	6.3
69.07080	43.9
69.30839	11.0
69.31259	6.4
71.05005	4.4
79.05505	68.8
79.05972	3.3
81.03428	4.5
81.07069	100.0
83.04984	11.5
83.08636	15.8
85.02924	2.3
85.06561	3.9
91.05495	47.8
93.07059	51.5
95.04994	13.8
95.08065	3.5
95.08623	46.7
97.06544	39.0
97.10181	13.8
99.08090	2.5
105.04555	2.4
105.07044	50.9
107.04988	17.9
107.08610	48.5
109.06532	10.8
109.10162	28.5
111.08086	7.7
117.07058	14.2
119.08603	37.4
121.06508	7.1
121.10168	21.2
123.08092	7.6
123.11765	14.3
125.09666	11.7
127.07571	2.3
128.06223	2.3
129.07008	7.6
131.08578	24.8
133.06493	2.4
133.10156	31.6
134.03671	2.4
135.08078	8.7
135.11717	13.5
137.02374	8.4
137.09639	7.7
139.11235	4.8
143.08553	4.4
145.10150	29.0
147.11725	27.6
149.09654	25.1
149.13297	9.2
151.11168	3.8
155.08571	3.2
157.10139	7.3
159.11757	17.4
161.09608	3.8
161.13222	6.0
163.11201	14.0
163.14896	2.8
165.12753	6.3
169.01483	2.0
169.10153	2.8
171.10201	8.5
171.11752	5.9
173.11830	4.2
173.13300	9.4
175.11177	4.6
175.14848	2.8
177.12769	5.4
179.14368	2.7
181.06421	2.0
183.02904	4.4
183.11728	5.4
189.11269	9.8
195.13815	2.6
197.06021	2.4
197.13239	3.7
199.14818	3.2
213.05498	14.3
214.06281	3.5
225.05470	3.8
227.12793	7.9
229.14284	3.6
229.19499	5.6
233.18912	2.0
235.17096	2.7
239.17958	2.8
241.04973	4.4
245.13916	2.9
247.20650	10.2
250.06331	4.0
251.20206	3.0
253.05074	5.7
253.18080	2.4
257.19058	13.6
263.20160	2.5
265.21762	3.2
267.06482	5.9
269.04364	9.5
269.17465	4.6
270.05292	13.4
271.06039	3.1
275.20105	99.8
276.20425	3.6
281.04520	17.5
283.06113	2.2
293.21103	9.9
307.06021	4.3
311.09216	11.7
323.09198	9.4
331.22888	2.8
337.07104	5.4
349.10806	5.8
349.23773	40.6
367.08551	3.3
367.11761	80.6
367.15530	9.1
367.24838	45.7
368.12186	3.0
380.21051	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	Edulaan
Peak:m/z	Relative Intensity
52.95658	0.3
53.03954	0.4
55.01862	0.5
55.05523	0.7
55.18876	0.4
59.04966	0.4
64.44135	0.4
66.37959	0.4
67.05507	1.4
69.07083	2.4
70.45337	0.4
71.02972	0.5
71.03311	0.6
79.05502	1.7
79.34774	0.4
81.07066	2.7
83.08620	0.6
86.43108	0.4
91.05481	1.8
93.07041	0.9
95.04960	0.7
95.08606	1.4
97.06554	1.9
103.05495	0.5
105.07045	0.9
107.08599	1.0
109.06522	0.7
109.10165	0.6
119.04971	0.7
119.08582	0.9
121.10177	0.7
123.08084	0.5
125.02361	1.3
129.07027	0.6
131.04907	0.6
133.10153	1.1
135.04416	1.0
137.06004	3.8
145.10121	0.7
147.04434	2.9
147.11705	0.7
153.05511	1.2
158.62892	0.4
159.04478	3.8
161.05988	1.1
163.03860	0.7
164.04700	0.7
165.05502	1.8
168.00609	0.6
169.01390	0.9
171.04489	0.5
171.08072	0.6
173.06046	1.5
174.99059	0.6
177.05498	7.3
183.02911	0.9
185.06021	1.3
187.11223	0.4
197.06030	0.8
203.10619	0.6
210.06932	0.6
215.10724	0.4
225.05339	0.5
240.07753	1.0
241.08711	0.7
251.07133	0.6
253.08661	1.0
254.05782	0.4
257.08139	0.6
266.05841	1.2
268.07333	2.7
269.08270	1.1
271.09772	0.5
275.20114	1.4
281.08072	0.8
283.06049	0.5
283.09460	0.7
293.08282	0.4
293.21045	0.7
294.05341	2.1
295.06021	1.1
295.09546	0.7
296.06775	4.9
297.07593	16.3
299.09082	0.6
309.07593	41.0
310.08112	0.7
311.09146	7.6
322.08481	1.1
323.09204	3.4
335.12836	1.7
337.07034	1.5
337.10696	10.4
351.08615	0.5
351.12210	1.9
352.13116	1.0
367.11859	4.8
367.15451	100.0
368.15805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.4
55.01872	2.7
55.05510	3.8
57.03420	1.8
59.04968	2.6
61.02919	1.7
65.46676	1.5
67.05479	4.9
69.03419	6.9
69.07076	12.6
69.66364	6.8
69.80853	1.5
70.06573	4.6
71.04993	22.6
73.02927	1.7
77.50034	1.5
79.05502	14.4
81.03386	2.5
81.07060	80.6
83.04982	6.1
83.08621	2.7
85.02907	15.8
85.06583	1.5
90.05544	6.6
91.05446	2.2
93.07037	6.4
95.04958	4.3
95.08601	3.9
97.02888	3.6
97.04359	1.4
97.06512	6.1
97.10149	2.0
98.02412	2.2
98.97540	1.9
99.08074	5.0
103.69982	1.5
105.07017	2.8
107.08599	13.9
109.02885	2.1
109.06510	4.8
109.10159	22.7
111.08067	2.5
111.11716	10.4
116.92877	1.4
119.58958	1.4
121.10120	5.1
123.08022	1.7
123.11714	29.7
127.03912	3.3
127.11256	1.5
133.10150	8.0
139.11176	14.6
144.08064	2.2
145.04947	2.6
146.06018	3.3
147.08028	3.0
151.03960	1.4
151.11200	33.3
157.12254	18.1
167.07060	1.5
169.12245	41.0
177.05370	1.6
180.08690	2.7
187.13301	100.0
188.07056	4.7
191.07208	1.8
202.82851	1.5
205.14355	6.0
234.13373	4.5
235.11430	1.8
235.13661	11.7
279.06647	1.8
281.14810	2.0
306.12003	1.4
321.07510	2.8
349.06961	2.0
367.07996	4.9
367.11771	3.3
367.15524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05507	5.5
57.03441	2.7
67.05506	5.6
69.03439	5.4
69.07067	12.7
69.39976	11.5
69.40387	2.5
70.06593	5.3
71.04997	25.3
79.05508	5.5
80.66094	1.9
81.03426	2.9
81.07064	57.0
83.05000	3.2
84.08147	1.9
85.02921	12.8
86.09705	3.3
89.06034	1.7
90.05555	7.1
91.05480	6.3
93.07041	2.3
95.04992	2.1
95.08611	3.5
97.02925	2.6
97.06536	4.0
97.10160	2.4
98.21595	2.3
99.04481	2.4
99.08103	2.0
105.07046	4.4
107.08586	11.8
108.04443	1.7
109.06555	3.0
109.10151	11.8
111.08155	1.8
111.11720	5.1
120.08159	2.2
121.02892	1.8
123.11713	17.6
127.03965	2.4
128.06323	1.7
133.10167	7.1
139.11162	9.9
147.04405	1.8
147.09227	3.6
147.11707	2.7
151.07576	2.4
151.11206	29.8
152.11526	2.6
157.12245	14.8
169.12251	25.4
171.06830	1.7
175.11197	2.4
187.13318	100.0
199.11685	2.2
205.14343	3.7
212.22581	1.8
234.13437	5.8
235.13680	9.0
246.99019	2.5
259.06155	1.7
281.15024	4.9
335.09412	2.4
352.17856	2.2
367.08032	3.0
367.12402	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01874	20.3
55.05513	34.9
57.03441	18.8
57.07064	6.1
65.03928	5.9
67.05505	78.2
69.03415	8.3
69.06730	3.3
69.07072	43.9
69.33297	2.0
69.57552	15.0
71.04974	6.0
72.63448	2.0
79.05498	69.1
81.03397	4.1
81.07059	100.0
83.04968	11.6
83.08619	21.6
85.06534	5.9
91.05482	54.6
93.07046	53.9
95.04967	12.6
95.08607	50.0
97.06532	39.0
97.10174	11.7
98.20838	3.3
99.08067	5.5
105.07034	56.4
107.04966	13.7
107.08595	57.9
109.06489	16.6
109.10160	32.0
111.08070	6.4
115.05384	2.9
117.07043	14.9
119.08578	43.1
120.97094	2.7
121.06508	7.7
121.10148	24.5
123.08049	8.9
123.11744	13.7
125.09615	10.7
129.06993	4.9
131.08565	22.6
133.10121	30.7
135.08023	10.7
135.11691	15.0
137.02341	5.4
137.09560	5.3
139.11171	3.0
142.07768	2.2
143.08600	5.4
145.06413	2.7
145.10144	21.2
147.08057	3.3
147.11696	25.0
149.09630	23.3
149.13266	7.6
151.11211	5.8
157.10104	4.6
159.04459	3.1
159.11678	13.6
161.09642	5.5
161.13263	8.8
163.11194	11.3
165.12749	6.0
169.10146	7.0
171.10229	6.4
171.11742	6.7
173.13261	7.8
175.11157	3.9
177.12776	4.4
179.14377	2.9
181.12247	3.1
183.02907	5.5
183.11658	5.0
187.14801	3.1
189.11168	11.1
193.12192	3.1
195.13837	3.8
196.05269	2.3
197.13310	2.8
213.05460	15.1
213.16289	2.6
214.06181	3.9
225.09074	2.7
227.12730	7.7
229.14363	3.2
229.19583	5.0
231.17340	2.5
233.18864	2.2
239.17967	7.4
241.04919	6.8
245.13803	4.9
247.20474	7.0
250.06279	8.5
251.20015	5.6
253.17868	4.1
255.06516	2.8
257.19016	16.9
267.06546	4.8
269.04501	5.6
269.17526	3.2
270.05225	16.0
271.06049	6.3
275.20074	84.3
281.01651	3.4
281.04440	22.4
292.34674	2.3
293.21152	8.5
295.85770	2.1
307.06052	3.7
311.09097	16.2
323.09061	9.3
333.60861	2.4
337.07059	5.7
349.10645	3.7
349.23715	43.6
367.07178	3.9
367.08569	3.0
367.11697	78.9
367.15576	16.9
367.24841	54.2
368.12021	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	367.1179
Annotation	Candidusin C
Peak:m/z	Relative Intensity
65.03949	0.3
65.39959	0.2
67.05491	0.4
68.99778	0.9
69.07059	0.3
69.44236	0.9
69.44662	0.9
71.63036	0.2
79.05474	0.8
85.02855	0.3
91.05476	0.4
93.06968	0.2
95.01312	0.4
97.06535	4.9
99.00835	0.6
105.07008	0.4
107.08570	0.3
112.01550	0.6
115.05416	0.3
119.04924	1.0
125.46787	0.3
127.00234	0.8
129.06956	0.3
137.02266	0.3
140.01054	0.5
141.06960	0.5
145.06505	0.5
153.07007	0.5
155.08548	0.8
156.09291	0.4
157.06499	0.7
157.10155	0.4
159.08101	0.4
165.07054	1.3
167.08586	0.3
168.00557	8.7
168.05679	0.6
169.01340	12.7
169.06482	2.4
170.07263	0.9
171.08041	1.0
172.08936	0.3
181.06557	0.4
183.02901	16.4
183.08070	4.9
184.08849	5.3
185.05978	0.4
185.09650	1.9
186.01614	2.8
194.02092	1.0
195.02921	0.3
207.07869	0.4
209.04437	0.5
211.07567	2.4
225.09166	1.0
233.09444	0.3
235.07539	0.4
253.08580	0.5
263.07010	0.4
265.04910	0.3
269.04480	0.4
270.05243	0.8
271.09589	0.5
278.05762	0.3
279.10147	0.3
281.04581	0.5
281.08157	0.4
282.05414	0.3
286.04736	0.5
291.06503	0.8
293.04297	0.4
295.06058	0.6
298.04703	0.3
306.08762	0.6
307.09641	0.3
309.03949	1.0
309.07599	2.1
310.04718	4.1
313.07080	1.1
317.07996	0.3
319.06046	3.3
321.11295	0.3
321.14737	0.4
323.05768	0.5
323.09274	0.9
324.06323	0.4
324.09909	0.8
325.07172	2.4
333.07379	1.3
334.08401	3.8
335.09262	0.7
336.06296	0.3
337.07080	35.6
338.07471	0.5
339.12332	0.5
349.10864	1.3
349.14465	0.4
351.04434	0.3
351.08679	5.4
352.09415	6.7
367.11780	100.0
368.12137	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1178
Annotation	Candidusin C
Peak:m/z	Relative Intensity
53.03934	0.9
53.85359	0.7
55.01877	3.7
55.05518	3.9
57.03443	1.6
67.05511	6.9
69.03400	0.8
69.07080	3.6
69.09995	0.6
70.47725	2.1
71.04990	0.9
73.78983	0.8
79.05492	5.9
81.03408	0.6
81.07069	6.2
83.04980	3.3
83.08617	2.0
85.02914	0.7
85.06551	0.9
86.55462	0.6
91.05485	5.5
93.07046	5.8
95.04955	3.0
95.08615	5.6
97.06540	6.4
97.10158	2.5
99.04453	0.9
105.07040	6.2
107.04958	2.3
107.08605	8.0
109.06519	1.8
109.10177	2.4
111.04430	2.6
117.07004	2.1
119.08607	4.4
121.10165	3.1
123.08048	1.2
123.11714	1.2
125.09666	1.4
127.00246	0.9
128.06169	0.7
129.07019	1.1
131.08563	2.1
133.02861	1.0
133.10115	2.8
135.11703	1.9
137.02339	1.4
141.06966	1.0
143.08620	0.8
145.10139	3.8
147.11681	2.5
149.09650	4.4
151.11240	1.0
153.07047	0.7
155.08592	0.8
155.10626	0.7
159.04408	2.1
159.11708	2.2
161.13251	1.0
163.11180	1.5
165.06985	2.1
165.12810	1.6
168.00558	6.3
168.05640	1.0
169.01343	9.8
169.06506	4.0
171.11597	0.7
173.13248	0.7
177.01801	0.8
177.12814	0.9
183.02910	13.4
183.08116	3.9
184.08884	4.5
185.05960	0.7
185.09605	1.5
186.01616	2.8
189.11217	1.6
196.05202	4.2
211.07552	2.1
213.05447	3.7
215.06883	0.7
217.15869	0.8
222.06810	1.3
223.13333	1.8
225.05412	1.8
239.18045	1.3
241.04956	2.9
250.06285	10.7
253.04938	1.5
257.19073	2.0
266.05777	0.8
267.06531	3.4
269.04474	2.6
271.06039	2.5
275.17288	1.2
275.20096	12.4
278.05728	2.9
281.04471	11.9
281.07507	0.8
293.08102	0.8
293.21054	2.2
295.06241	1.3
296.06833	2.4
309.07559	1.9
310.04822	3.9
311.05524	1.4
311.09155	26.7
319.06009	2.9
323.09073	6.5
325.07071	2.2
331.22861	0.7
334.08322	2.9
335.09225	0.8
336.06491	0.7
337.07092	27.1
349.23743	5.3
351.08719	4.0
352.09454	5.7
367.11710	100.0
367.15549	14.9
367.24582	15.6
368.12152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1181
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.01886	0.3
67.05508	0.5
68.99804	0.5
70.57874	0.3
70.58197	0.6
72.06668	0.3
94.11378	0.3
95.59003	0.3
98.20833	0.3
99.00804	0.5
101.10064	0.2
107.01218	0.2
112.01602	0.6
113.65911	0.2
116.30206	0.2
119.04926	0.6
119.08566	0.3
127.00278	0.6
140.01166	0.4
141.07034	0.6
143.08557	0.3
145.06517	0.4
153.06920	0.3
155.08537	0.5
157.06499	0.5
165.07013	0.9
166.07843	0.3
168.00571	7.4
168.05792	0.3
169.01338	11.4
169.06487	2.5
170.07295	0.7
171.07944	0.6
179.03468	0.3
183.02913	15.2
183.08067	4.0
183.09515	0.5
184.08859	4.4
185.00870	0.3
185.09627	1.7
186.01596	3.0
194.02142	0.6
205.12877	0.2
206.02303	0.3
211.07547	2.0
217.40149	0.3
237.75217	0.3
247.60974	0.2
253.08415	0.2
265.05023	0.3
270.05380	0.5
282.05405	0.6
286.04990	0.3
309.04059	0.8
309.07608	1.8
310.04724	4.0
310.08188	0.4
313.07040	0.8
317.07996	0.5
319.05997	2.7
323.05563	0.6
323.08881	0.5
324.10056	0.5
325.07086	2.5
333.07767	0.8
334.08374	3.6
335.09216	0.6
336.06052	0.3
337.07092	32.1
338.07504	0.6
339.12296	0.4
349.10773	0.6
351.08725	4.1
352.09454	7.6
353.09735	0.3
367.11804	100.0
368.12082	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1543
Annotation	Edulaan
Peak:m/z	Relative Intensity
55.01860	0.7
55.05511	0.6
58.86678	0.3
67.05490	0.9
68.99792	1.7
69.03440	0.4
69.07061	1.6
71.08633	0.4
71.52502	0.5
79.05490	1.2
81.07059	1.5
83.04987	0.5
91.05484	2.3
91.45171	0.3
93.07036	1.1
95.08592	0.8
97.06527	0.9
99.04482	0.5
99.08066	0.3
103.05497	0.4
105.03359	0.4
105.07038	0.7
107.04977	0.5
107.08582	0.8
109.10149	0.6
115.05420	0.3
119.04937	3.1
119.08563	0.4
121.06522	0.5
121.10162	1.0
123.04446	0.3
123.08041	0.6
131.04913	0.5
131.08546	0.5
133.02876	1.4
135.04388	0.4
145.10110	0.4
147.04420	3.2
147.11687	0.4
148.05241	0.4
149.02356	0.9
149.09636	1.1
152.06215	0.3
153.07001	0.5
156.05641	0.5
159.04402	1.9
160.05261	0.7
162.03145	0.5
164.04704	1.2
165.05666	0.4
165.07025	1.2
166.07729	0.5
167.08582	0.7
167.10728	0.5
169.01399	0.4
169.06491	0.4
175.03961	0.7
177.05507	2.7
179.08633	0.4
181.06516	1.0
182.07323	0.5
183.08240	0.7
183.13950	0.7
193.06506	0.3
194.07295	1.7
195.08044	1.7
196.05208	0.4
197.05989	1.1
199.07526	0.5
199.84508	0.3
200.43668	0.3
205.06564	0.5
207.08066	0.4
209.06000	1.0
211.07550	0.5
215.10670	0.9
221.09695	0.5
222.06790	3.9
223.07524	3.9
225.05537	0.4
226.06346	0.4
227.07126	0.9
233.06009	0.4
237.05565	0.9
239.06970	1.2
240.07819	0.7
241.08607	0.7
250.06256	5.3
251.07050	6.4
253.04996	1.3
253.12294	0.8
254.05742	0.6
263.06790	0.3
265.08554	0.3
267.06607	2.4
268.07303	1.2
269.08102	2.5
275.20038	0.6
278.13101	2.7
279.06601	2.4
280.07330	0.6
281.04614	0.5
281.07739	0.4
281.11823	0.4
282.05157	0.6
283.05930	0.9
293.21091	1.0
295.06039	2.9
296.06824	2.6
297.07593	11.0
297.10959	0.6
305.11633	0.5
306.12540	20.6
309.11264	3.9
310.04642	0.7
311.09140	7.8
312.09872	3.1
323.09512	0.5
323.12750	2.1
325.07181	0.4
333.11044	0.7
333.77423	0.4
334.11987	5.5
335.12836	0.4
337.07043	1.9
337.10785	2.2
351.12326	5.6
352.13083	5.4
367.11890	4.3
367.15451	100.0
368.15787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02333	0.7
55.05515	3.2
57.03437	2.2
59.04997	1.6
67.05505	0.9
69.03428	3.0
69.07068	1.5
70.02949	2.2
70.06587	2.6
71.05006	0.9
71.08638	2.5
71.14090	1.8
72.04523	7.6
72.08165	1.4
73.02934	1.6
79.05482	2.4
81.07072	12.0
83.08638	3.8
83.22606	0.7
84.08121	1.0
85.02905	2.8
85.33604	0.8
86.09663	1.1
87.04467	2.0
90.05568	57.7
91.05470	1.3
93.07040	1.8
95.08622	1.2
97.02900	2.1
97.06526	1.4
98.02428	7.0
99.08097	3.2
101.09672	0.8
105.07024	1.0
107.08591	1.7
109.06527	10.4
109.10171	1.2
110.09674	0.9
115.03953	1.1
116.03459	6.1
117.09133	1.5
120.08131	0.8
121.02898	0.8
123.04407	0.9
123.11744	1.4
127.07570	2.5
130.06596	0.9
131.05005	0.7
133.10121	1.1
136.10715	0.8
138.09157	10.4
138.74232	0.7
144.06575	1.3
146.06003	1.3
151.11215	2.0
156.10225	3.6
169.12289	1.3
174.11302	0.8
180.10220	0.9
187.13264	2.7
188.12875	0.8
188.42462	0.7
198.11270	15.4
216.12344	13.9
234.13393	100.0
235.13725	1.1
259.31839	0.8
277.09509	0.8
279.06183	0.7
366.07520	1.5
366.11334	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	366.1763
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
53.65337	0.5
55.05500	2.8
57.03425	2.2
59.04993	1.8
60.04504	0.7
68.49490	0.6
69.03432	2.8
69.55765	2.0
69.56174	2.2
70.02946	2.6
70.06591	0.9
71.04989	0.7
71.08620	1.6
72.04524	8.7
79.05493	1.6
81.07066	8.4
82.32460	0.6
83.04996	0.7
83.08621	3.2
85.02900	2.4
86.09705	1.8
87.04456	1.6
90.05562	53.3
93.07073	1.2
93.11397	0.6
97.02902	1.9
97.06528	1.5
97.52059	0.7
98.02431	8.5
98.20853	1.4
98.21400	1.4
99.08105	4.5
101.09682	1.1
102.15975	0.7
107.08625	0.7
109.06523	11.5
109.10169	1.6
110.06038	0.6
115.03958	0.7
116.03448	5.2
117.09122	1.4
120.08067	1.0
123.11707	1.5
127.07533	1.9
133.10095	0.7
138.09167	9.4
151.11171	2.2
156.10185	2.4
169.12248	1.5
174.11288	1.0
180.10196	1.0
188.12883	0.8
198.11270	15.6
207.07681	1.4
216.12328	13.3
234.13377	100.0
235.13708	1.5
348.26611	0.8
366.12073	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
55.95004	1.0
57.03434	1.8
60.04529	8.5
66.91665	1.1
67.05511	13.1
69.03437	3.0
69.07055	3.0
70.06589	1.8
70.34187	2.5
70.34583	2.0
71.04978	2.1
72.08150	1.2
79.05501	4.9
81.07064	13.3
82.06583	1.1
82.07316	1.1
83.04971	4.3
83.08629	2.0
84.08152	1.5
85.02915	8.0
85.06571	2.0
86.09705	5.3
87.27737	1.0
91.05490	18.1
93.07056	9.6
95.04988	0.9
95.08626	3.9
97.02911	3.1
97.06528	1.2
98.97598	2.4
99.08041	0.9
105.07037	23.4
107.08605	24.6
109.02879	1.5
109.06503	1.7
109.10163	40.6
120.08141	2.4
123.08069	1.3
123.11724	7.7
124.99161	1.1
127.03932	1.8
131.08551	1.1
133.10143	89.7
144.06505	1.6
149.02328	1.9
151.11194	100.0
152.11589	1.3
162.05528	6.7
166.08676	2.1
169.12253	61.5
177.05644	1.1
187.13313	47.1
190.04987	5.8
201.12428	1.3
302.04312	1.6
316.08139	1.4
317.06564	4.3
325.05774	1.6
348.27393	2.8
366.28259	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	366.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03130	1.4
55.05511	4.4
57.07085	92.6
59.05016	14.1
62.83127	1.4
67.05479	1.9
71.08642	100.0
71.15169	1.5
83.08614	3.4
85.10194	94.8
89.06043	35.9
97.10140	2.1
99.11750	12.7
107.07076	3.1
119.08591	2.5
133.08624	24.4
141.16382	13.4
151.09680	13.0
179.10667	1.9
191.12756	4.5
195.12315	10.8
199.20598	14.5
209.13826	3.9
243.23241	3.2
279.38318	1.6
280.70154	1.8
349.29660	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	367.1179
Annotation	Candidusin C
Peak:m/z	Relative Intensity
51.18695	0.2
52.53222	0.2
55.01844	0.5
55.05468	0.3
58.06581	0.4
67.05464	0.7
68.99736	0.7
69.07031	0.8
70.63905	0.3
70.64233	0.5
79.05487	1.7
79.75755	0.3
81.07009	0.4
88.76270	0.2
91.05421	0.7
93.07009	0.4
95.01302	0.3
97.06537	10.7
99.00822	0.5
105.07008	0.6
112.01564	0.6
113.02354	0.3
115.05396	0.4
115.38097	0.2
119.04876	0.9
119.08527	0.3
123.00753	0.4
127.00243	0.7
129.06941	0.3
131.04910	0.4
137.02325	0.4
139.00302	0.4
140.00990	0.6
140.90533	0.2
141.01762	0.3
141.06941	0.8
143.08528	0.3
145.06474	0.5
153.01877	0.3
153.06912	0.6
155.08514	1.0
155.09677	0.3
156.09303	0.4
157.06461	0.5
157.10107	0.3
159.08022	0.4
160.07544	0.3
165.01733	0.2
165.06996	1.7
167.08472	0.4
168.00546	8.4
168.05756	0.3
169.01343	12.7
169.06467	3.2
170.07207	1.1
171.08011	0.9
173.05846	0.3
177.01848	0.3
179.08621	0.3
181.01338	0.3
181.06442	0.3
182.07092	0.3
183.02902	16.2
183.08075	3.9
184.08862	5.0
185.05997	0.4
185.09642	1.5
186.01608	2.8
194.02045	0.9
195.08064	0.3
197.06006	0.4
197.09558	0.6
201.09038	0.5
203.03397	0.3
204.33347	0.3
207.08122	0.4
209.04356	0.4
210.06775	0.3
211.07545	2.9
213.05426	0.3
221.09341	0.3
225.09109	1.6
235.07536	0.5
237.09052	0.3
241.08490	0.4
253.08620	0.8
255.06575	0.3
263.07022	0.7
265.43231	0.3
267.10114	0.5
269.04340	0.3
269.07965	0.5
270.05264	0.5
271.09698	1.1
272.48734	0.2
273.05460	0.3
275.20166	0.3
281.08200	0.5
282.05206	0.4
286.04910	0.3
291.06555	0.8
295.06006	0.6
297.14795	0.5
298.04663	0.5
305.08182	0.4
306.08786	0.4
307.09668	0.3
307.13361	0.3
309.03928	1.0
309.07605	2.4
310.04733	4.2
313.06992	1.0
316.07382	0.3
317.08252	0.6
319.06064	2.8
321.14832	0.9
323.05554	0.6
323.09167	0.9
323.12704	0.5
324.09900	0.5
325.07175	2.6
333.07629	1.5
334.08386	3.7
335.09052	0.7
336.06335	0.6
337.07065	34.9
338.07553	0.6
339.12381	0.6
349.10635	0.8
351.08649	4.5
352.09436	6.3
367.11768	100.0
367.15338	3.7
368.12057	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Quinestrol
Peak:m/z	Relative Intensity
55.05497	8.8
57.07057	5.3
67.05518	21.9
69.03410	4.2
69.07055	10.6
71.04984	3.8
79.05475	11.3
81.07063	17.5
83.08600	4.2
91.05484	21.5
93.07049	21.1
94.40868	2.8
95.04978	31.0
95.08617	26.1
97.06543	3.6
105.07037	32.5
107.08615	26.7
108.57636	2.6
109.06522	6.3
109.10143	9.3
115.05509	3.1
117.07036	9.5
117.64201	2.3
119.08586	34.2
120.67955	2.7
121.06525	5.1
121.10162	11.6
123.08053	4.3
128.06219	5.2
129.06996	13.6
130.07774	5.3
131.08560	14.5
133.10156	16.6
135.08040	8.6
135.11702	6.0
137.09622	3.8
141.06960	5.4
142.07793	11.2
143.08543	27.8
144.09331	8.4
145.10143	25.2
147.11661	4.9
155.08539	12.4
156.09355	11.5
157.10141	47.5
159.08057	6.4
159.11696	22.2
161.09618	8.2
161.13235	6.8
167.08667	6.5
169.10159	10.5
170.10915	11.7
171.11717	22.0
172.12457	3.9
173.09628	8.1
173.13231	8.9
175.11133	3.9
179.08583	5.9
180.09338	5.8
181.10103	16.0
182.10884	5.9
183.11751	18.7
185.13268	46.5
187.11200	11.8
187.14835	11.6
192.09286	3.7
193.10158	9.0
194.10941	5.5
195.11684	18.9
196.12485	6.5
197.13287	13.5
199.14844	5.7
203.14299	4.8
205.10158	3.0
205.15881	5.5
206.11023	5.1
207.11761	15.9
208.12584	6.7
209.13266	17.4
210.13942	3.4
211.14815	7.6
213.12746	10.4
219.11826	4.3
221.13245	12.9
222.14108	4.7
223.14909	13.0
225.12778	4.2
225.16376	6.1
229.15906	4.3
233.13301	6.9
234.13985	5.1
235.14798	6.9
236.15833	3.4
237.12868	2.8
237.16389	7.9
239.14288	6.3
239.18060	3.0
241.15869	3.5
247.14740	5.8
248.15584	3.5
249.16449	12.3
251.17920	11.9
255.17534	2.8
256.18402	3.3
260.15646	4.0
261.16287	4.6
263.18048	5.9
265.15927	6.2
265.19534	3.6
267.17383	4.9
268.18542	3.1
269.18945	5.4
273.16379	4.8
275.17850	3.2
277.19318	3.5
281.19189	5.2
289.19583	7.8
309.18481	5.0
314.20383	3.8
329.22861	4.5
347.23630	26.8
365.24756	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.58389	0.2
55.05507	1.0
57.06834	0.3
57.07084	3.1
63.30008	0.2
67.05509	1.2
69.07069	1.0
70.11492	0.5
70.11885	0.4
71.08659	0.3
72.81775	0.2
79.05496	1.0
81.07045	1.3
83.04964	0.2
83.08626	0.4
85.06541	1.7
90.39095	0.2
91.05481	0.8
93.07053	1.3
95.04995	0.5
95.08617	1.3
97.06512	0.5
98.20792	0.2
105.07027	1.2
107.08636	1.3
109.06520	1.6
109.10146	1.0
119.08586	1.1
121.06509	0.3
121.10149	0.8
123.08079	3.1
123.11726	0.3
124.08865	1.4
128.06259	0.3
131.08580	0.7
133.10141	0.8
135.08069	1.1
135.11700	0.4
137.06001	0.5
137.09680	0.4
138.06816	0.3
139.07542	0.6
143.08583	0.5
145.10100	0.5
147.11725	0.4
148.17857	0.3
149.09555	0.3
151.07561	3.0
152.08333	5.9
157.10069	1.1
159.11665	0.5
161.09663	0.5
165.09131	7.3
166.09975	0.6
171.11696	0.3
177.09169	0.5
177.12820	0.6
179.08444	0.3
179.10664	1.9
179.14310	0.4
185.13354	0.6
187.14769	0.3
194.13052	3.2
195.11794	0.3
195.13791	0.4
207.13802	1.8
209.13293	0.4
221.13237	0.3
235.17003	0.6
249.18555	0.8
263.20099	2.6
269.19391	0.3
276.15002	0.3
277.21637	0.5
291.01990	0.2
319.26413	1.4
347.25885	16.4
348.26389	0.3
365.26920	100.0
366.27228	2.3
377.86578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.03942	0.5
55.01875	0.6
55.05507	2.8
57.03448	0.5
57.07078	4.6
67.05503	2.8
69.07079	3.8
69.34505	3.3
71.04977	0.7
71.08620	0.8
79.05505	2.8
81.07069	4.0
83.04986	1.0
83.08617	1.2
85.06533	3.2
91.05478	1.8
93.07059	3.6
95.04959	0.6
95.08604	4.5
97.06535	1.4
97.10185	0.4
99.08082	0.9
105.07027	1.7
107.04928	0.4
107.08586	3.6
109.06540	2.9
109.10159	1.8
110.03439	0.4
111.04456	2.2
111.08093	0.8
119.08577	2.8
121.06563	0.5
121.10139	1.7
123.08082	5.1
123.11700	0.5
124.08873	0.9
125.05997	1.3
131.08549	1.1
133.10141	1.6
134.60628	0.4
135.08046	2.2
135.11708	1.4
137.06004	1.8
137.09641	0.9
139.07570	1.1
143.08591	0.5
144.11395	0.4
145.10150	1.4
147.11702	1.5
149.09576	0.7
149.13309	0.6
151.07549	3.8
152.08322	3.3
153.12732	0.6
157.10114	0.5
159.11659	0.8
161.09686	0.6
161.13216	0.9
163.11186	0.7
164.08363	0.5
165.09125	12.3
165.12735	0.9
166.09901	1.1
173.13329	0.8
175.11165	0.7
177.09145	1.0
177.12772	0.7
179.10677	2.4
179.14246	0.8
186.22365	0.5
193.12228	1.2
195.13774	1.0
203.05247	0.4
207.13730	0.5
208.14519	0.8
209.15369	0.6
219.13757	0.5
221.15404	1.9
221.18988	0.4
235.16953	0.8
249.18523	0.8
263.20065	2.6
291.19876	0.6
305.24747	8.2
319.26340	6.4
337.27344	0.6
347.25827	48.2
348.26205	0.8
365.26889	100.0
366.27243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37072	0.9
53.03934	2.8
55.01877	7.5
55.05516	31.7
57.03207	0.8
57.03444	12.5
59.04991	1.1
65.03923	1.6
65.28077	0.9
67.05509	33.4
69.03436	12.9
69.07075	41.2
71.04971	2.2
71.52228	1.4
75.82829	0.9
77.03897	0.9
79.05499	30.1
79.22559	0.8
81.03423	7.5
81.07065	24.3
83.04996	5.5
83.08620	11.8
85.02865	0.9
85.06530	1.1
91.05486	13.6
93.07052	21.2
95.04991	8.1
95.08611	14.1
97.02904	18.2
97.06539	4.5
97.10177	20.9
97.58994	0.9
105.07034	10.9
107.04952	6.7
107.08602	15.1
109.02899	1.2
109.06507	3.2
109.10169	12.3
111.04414	1.5
111.08070	3.2
115.05418	1.0
117.07023	9.8
119.08598	12.3
121.06508	3.2
121.10144	4.7
123.04377	1.0
123.08065	3.8
125.09635	16.8
128.06201	1.0
129.07004	2.9
130.07748	1.1
131.08572	7.6
133.06487	2.2
133.10127	4.6
135.08064	5.3
135.11694	2.7
137.05991	1.4
137.09613	3.8
143.08562	3.4
145.10136	6.2
147.08072	4.6
147.11757	4.2
149.09567	1.6
149.13272	2.7
151.11118	1.0
153.09117	1.4
153.12778	1.4
157.10089	2.2
159.11662	1.9
161.09602	2.5
161.13260	1.9
163.11206	1.3
165.09102	2.3
171.10260	1.2
171.11687	2.0
173.11749	1.3
175.11267	1.3
179.10619	0.9
185.13268	1.0
189.11292	7.4
189.12813	1.6
192.39064	1.1
195.13789	2.0
205.12289	2.8
223.13312	34.4
227.12724	1.5
227.17975	1.1
239.13083	0.9
245.18988	2.7
249.14948	1.7
255.17209	1.1
263.20276	1.7
273.18536	12.6
291.19562	100.0
292.19818	1.0
347.22333	1.1
352.21219	0.9
365.23260	61.4
366.23541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.231
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03939	1.7
55.01873	4.2
55.05513	5.0
56.33434	1.1
56.96550	1.4
57.03198	1.2
57.03445	15.0
57.07068	2.0
65.03945	1.6
67.05508	19.4
69.03423	2.3
69.07054	4.7
71.04990	2.7
71.52318	1.0
79.05498	12.0
81.03412	2.8
81.07060	14.2
83.04978	2.4
83.08630	4.8
85.02896	1.5
85.06559	14.8
91.05497	10.7
93.07056	10.7
95.04977	24.1
95.08625	7.3
97.06522	3.0
97.10184	2.0
105.07052	8.3
107.04967	4.2
107.08595	8.3
109.06518	24.7
109.10164	4.1
111.08077	1.5
113.05245	2.2
113.06016	35.2
117.07010	3.9
119.08607	6.1
121.06529	2.6
121.10162	4.0
123.08082	2.6
123.11750	1.7
129.07021	3.6
131.08568	6.7
133.10175	5.0
135.08055	13.9
135.11696	3.0
142.44894	1.0
143.08577	2.6
145.10121	4.8
147.08031	2.5
147.11696	3.1
149.09650	3.0
157.10156	2.6
159.11748	2.1
161.09618	3.2
161.13213	1.3
163.11154	2.6
171.11711	2.0
173.13251	2.3
175.11180	2.4
177.12779	1.3
183.11742	1.5
189.16489	1.5
199.14833	1.4
217.15883	7.2
222.70453	1.1
255.17487	1.4
268.65479	1.0
273.18472	17.3
291.19543	22.8
291.22549	1.9
347.22092	3.2
350.07910	1.8
356.56979	1.1
365.10416	5.1
365.23056	100.0
366.23138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
53.81692	1.9
55.01884	21.0
55.05271	2.4
55.05518	28.1
57.03444	25.4
57.07070	6.3
59.05019	10.4
59.61954	1.9
65.03940	5.4
67.05515	87.5
69.03429	9.8
69.07078	30.9
71.04987	6.3
71.25572	3.8
71.97395	2.2
75.13473	2.0
76.31179	2.1
79.05503	62.7
81.03419	14.8
81.06594	4.3
81.07068	88.7
83.04992	20.4
83.08617	14.5
85.02911	3.1
85.06526	8.8
91.05493	100.0
93.06485	3.9
93.07054	66.7
95.04978	18.9
95.08624	35.7
97.02934	3.7
97.06550	11.9
97.10181	4.0
99.04510	2.4
105.07043	76.0
107.04972	20.0
107.08608	59.9
108.38149	2.0
109.02883	2.4
109.06519	13.6
109.10163	51.8
111.04468	4.3
111.08092	13.8
113.05977	2.9
115.05405	2.1
117.07011	16.7
119.08585	25.0
121.06528	13.0
121.10170	19.0
123.08101	15.5
123.11716	14.4
125.05997	2.8
125.09633	2.6
127.07543	2.6
129.07005	7.6
131.08575	27.6
133.06514	12.4
133.10150	91.3
135.08067	21.3
135.11684	7.4
137.05960	3.5
137.09639	6.6
139.07579	5.7
141.07018	4.5
142.07732	2.1
143.08542	8.7
145.06519	2.7
145.10138	12.4
147.08057	6.4
147.11679	6.2
149.09650	19.8
151.07632	2.4
151.11188	56.3
157.10152	5.7
159.08037	5.6
159.11703	6.4
161.09650	15.1
161.13292	4.0
163.11272	3.7
165.12677	2.8
167.10748	3.0
169.10085	2.6
169.12277	8.5
171.11688	6.8
173.09607	3.4
173.13223	2.4
175.11191	5.9
177.09120	9.4
177.12837	3.3
179.10704	4.0
185.13272	3.5
187.11235	3.2
189.12709	3.4
207.11696	2.3
207.13657	2.2
211.14824	2.6
215.12776	3.7
223.13242	2.8
223.73528	2.0
227.18002	3.6
231.29417	2.2
237.16438	2.7
245.18987	9.4
251.12814	4.0
253.14391	63.6
255.17664	3.0
263.20099	10.6
269.13834	6.9
273.18527	39.6
286.69312	2.3
291.19568	29.3
293.20886	2.4
300.31287	2.5
347.22305	7.8
365.10431	2.7
365.23279	75.9
366.23901	2.5
377.67554	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34848	4.5
66.05192	4.7
69.79964	4.6
70.09403	7.7
70.09805	14.9
70.58415	5.2
84.17579	5.4
88.79485	4.7
94.24220	4.7
101.39386	4.8
144.89671	4.8
185.04288	8.2
203.05235	15.3
232.94699	4.5
298.05240	5.7
309.61789	5.1
358.78787	5.4
365.08148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.8
70.86243	4.5
84.96006	2.8
94.59354	2.3
98.97601	15.6
110.97533	5.2
116.98633	4.4
143.00163	2.9
151.51790	2.3
152.98573	2.4
161.06563	2.5
169.60611	2.3
203.04146	2.5
211.57652	2.6
219.01735	6.3
233.03461	4.7
237.02838	6.5
251.04440	23.8
269.05508	4.7
305.10831	13.8
333.05081	3.8
365.08386	100.0
383.08621	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	365.2303
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.17873	0.4
55.01866	1.0
55.05526	2.3
57.03445	2.6
57.07064	0.4
65.03919	0.6
67.05515	6.2
69.03429	0.8
69.07059	1.5
69.75856	0.9
69.76266	1.7
74.94552	0.5
79.05504	4.0
81.03402	0.5
81.07054	6.3
83.04979	1.2
83.08624	1.6
85.02911	1.1
85.06556	2.7
91.05482	2.5
93.07047	4.1
95.04970	3.9
95.08592	3.0
97.06540	1.4
97.10162	1.3
103.05508	0.5
105.07018	2.8
107.04975	1.0
107.08636	2.4
107.09222	0.5
109.06532	4.4
109.10148	1.6
111.04441	1.7
111.08105	0.8
113.06002	5.6
117.07055	1.2
119.08616	2.5
121.06525	0.9
121.10168	1.4
123.08059	1.3
131.08572	2.0
133.10135	2.0
135.08060	2.6
135.11717	1.0
143.08620	0.9
145.10162	2.3
147.08090	0.7
147.11644	1.2
149.09604	1.1
149.13324	0.7
151.11214	0.6
153.12791	0.6
157.10182	1.2
159.11728	0.9
161.09657	1.1
163.11194	1.3
195.10040	0.6
217.15881	1.0
253.14403	0.6
273.18472	4.0
291.19608	5.6
321.44180	0.5
347.22134	0.8
365.23022	100.0
366.23337	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.0
57.07087	6.8
60.55583	1.1
67.05499	4.1
69.02359	1.4
69.07072	3.2
69.84737	6.4
71.08630	5.3
71.12377	1.4
79.05492	2.4
81.07055	8.2
83.05040	1.3
83.08613	2.8
85.06546	2.9
87.56924	1.4
89.06031	4.0
91.05486	1.8
93.07042	3.9
95.08615	6.7
99.08109	3.7
105.07033	3.5
107.08597	3.5
109.06525	16.8
109.10158	2.6
111.08133	1.5
119.08616	2.7
121.10110	1.5
123.08081	28.5
131.96936	1.3
133.08620	2.0
133.10159	2.3
135.08101	1.4
137.13260	1.5
161.13330	2.0
179.14330	95.5
193.15932	4.3
195.12280	1.6
231.20372	1.4
311.31927	1.3
331.26178	3.4
363.16400	3.7
363.28970	100.0
364.29068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48681	0.2
62.48261	0.2
65.54984	0.2
67.05486	0.3
69.07047	0.8
69.73713	0.6
69.74123	0.7
78.46398	0.2
79.05462	1.0
81.07015	0.4
97.06538	5.5
129.06998	0.2
131.08493	0.4
137.05949	0.7
143.08528	0.5
147.06802	6.0
148.07561	0.6
149.12006	0.4
159.08038	0.6
160.11234	0.7
161.05960	0.5
162.05515	0.5
164.07112	0.4
171.08044	0.5
173.09598	0.3
175.07573	0.3
176.07100	3.4
176.10716	5.8
177.07863	5.6
177.09335	0.5
177.11378	0.8
185.09599	0.5
187.07510	0.7
188.10663	0.7
189.09035	0.8
190.08604	0.3
199.07585	0.6
201.09039	0.3
202.12303	2.2
204.10182	3.3
205.10992	3.2
206.11740	1.5
214.08571	0.4
215.10657	0.3
216.10225	0.7
216.13908	0.3
229.10915	1.3
230.15356	1.2
241.12389	0.4
243.12489	0.3
258.11276	0.3
258.12497	0.3
258.14926	2.5
259.08206	0.3
260.12918	1.4
268.48972	0.3
273.13629	12.8
291.14651	0.4
302.17520	100.0
303.17889	1.9
320.18604	4.6
328.39340	0.2
333.16904	0.2
334.05200	0.6
346.20145	10.6
349.07614	0.3
364.09988	1.0
364.21210	26.5
365.21552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1632
Annotation	Trp Thr Gly
Peak:m/z	Relative Intensity
55.05492	0.4
56.05040	0.8
57.03422	0.5
59.95362	0.3
65.18346	0.4
67.05499	0.6
68.43159	0.3
69.03417	0.7
69.36203	1.3
69.36627	1.4
70.06581	1.3
72.08158	0.5
72.94402	0.4
76.71960	0.4
79.05495	0.9
81.07069	0.6
83.06084	1.1
84.04530	0.7
84.08128	0.4
85.02915	1.3
85.06548	0.5
86.09724	0.8
90.22423	0.4
90.97293	0.4
91.05489	0.6
97.02896	0.8
97.06537	0.4
97.07634	0.6
98.21523	0.8
99.04457	0.8
108.36781	0.3
110.07165	0.4
111.59158	0.3
112.11633	0.4
120.04459	0.7
127.03912	1.2
128.10736	0.7
129.11064	0.6
132.04436	0.7
134.05992	0.5
135.04420	0.4
136.07579	0.4
137.06026	0.8
138.05525	0.5
140.07021	0.4
147.04398	0.5
147.08116	0.4
149.09584	0.4
152.03552	0.3
158.85155	0.4
163.03964	0.6
166.05008	0.6
167.07057	3.3
176.35172	0.4
194.75873	0.4
201.11000	5.3
208.09750	0.7
216.11328	6.0
260.09946	0.5
286.04703	1.5
288.13422	0.5
289.82202	0.4
297.16342	0.5
301.07074	0.9
307.98718	0.3
317.16248	0.6
319.17480	0.6
345.10788	0.7
345.14783	0.6
363.16281	100.0
364.16479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.8
57.07067	2.0
67.05511	5.7
69.07074	9.3
69.15121	5.4
71.04996	1.6
71.08630	1.1
71.77438	0.4
74.19762	0.5
79.05502	3.7
81.07063	10.1
83.04964	0.5
83.08635	3.7
85.06550	0.9
85.44881	0.5
89.06021	0.6
91.05483	1.9
93.07048	5.9
95.04962	0.6
95.08612	9.1
97.06547	1.5
97.10172	0.6
99.08128	0.7
102.05745	0.6
102.68569	0.5
105.07027	3.2
107.08615	5.3
109.06528	8.3
109.10175	4.4
111.08099	2.0
113.14128	0.5
119.08605	4.3
121.10148	4.4
123.08080	55.4
123.11703	2.5
125.09615	0.7
131.08594	0.8
133.10149	2.7
135.08054	4.1
135.11720	2.2
137.09627	3.9
145.10126	1.2
147.11694	2.0
149.09648	1.8
149.13286	2.7
151.09688	1.0
151.11339	0.5
159.11679	1.5
161.13300	1.6
165.12776	0.9
167.14377	0.7
173.13330	0.8
177.12791	0.8
179.14325	12.2
191.14366	0.7
193.15764	0.6
233.18724	0.6
275.20068	1.1
289.25464	0.9
295.22653	0.9
307.22665	7.2
331.26385	4.3
363.28958	100.0
364.29218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55785	0.8
53.03944	1.1
55.01883	6.5
55.05506	2.5
57.03434	0.8
57.07084	1.2
66.03423	0.9
66.81109	1.0
67.05511	4.2
68.05841	1.0
68.99798	5.0
69.03426	2.8
69.07081	1.1
70.06591	2.8
71.01358	100.0
71.04996	6.5
71.08634	2.1
71.52225	1.2
72.05323	1.0
72.27065	1.0
74.80314	0.8
79.05501	1.6
81.03423	1.0
81.07072	5.3
82.07436	0.8
83.01350	1.4
83.08624	1.5
85.06552	1.1
85.34340	0.8
88.07633	1.7
91.05482	2.1
93.07040	2.3
95.08579	1.1
97.02901	5.9
97.06506	0.9
97.10173	1.6
99.04462	1.0
99.08070	1.3
105.07024	1.7
107.04904	0.9
107.08601	1.6
109.02895	5.8
109.10172	3.9
114.09226	1.3
115.03946	1.1
115.05432	1.4
119.04905	1.0
125.09602	1.5
126.39764	1.2
127.03925	22.4
129.06949	1.2
131.04936	3.9
132.10190	3.0
132.46571	0.9
133.06560	1.2
147.04460	1.7
148.05171	4.7
155.14276	4.4
156.14748	1.5
159.04410	6.8
161.06013	1.4
164.04695	2.5
173.06012	4.2
173.11699	2.4
174.12068	1.9
175.03906	1.6
177.05478	2.2
185.06026	1.8
185.65915	0.8
189.11215	1.1
191.03352	1.4
199.07533	1.5
203.03378	3.2
203.07066	1.4
211.04192	1.0
227.07065	3.2
229.05003	5.0
231.02895	10.3
245.04408	7.0
247.06165	1.8
249.04034	2.7
253.29889	0.8
257.04529	2.4
259.06027	1.9
271.06100	1.9
273.03812	1.1
275.05606	6.9
277.21686	2.1
278.22095	1.4
289.18198	1.0
299.05606	7.1
316.08441	1.2
317.06595	2.2
327.05026	25.5
345.06137	4.8
345.09888	0.9
353.30573	0.9
362.32666	8.7
363.06964	1.9
363.33005	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85337	1.8
60.04516	2.9
67.05511	4.6
69.03439	4.8
69.07081	9.6
70.06589	5.1
71.52354	2.7
79.05508	2.4
81.03432	3.1
81.07054	4.4
84.08155	3.9
85.02912	4.4
86.09724	2.8
91.05499	4.1
93.07047	1.8
94.06577	20.0
95.04992	4.5
97.02876	3.0
97.10106	1.9
99.04411	1.8
105.07043	2.6
107.08576	2.9
109.02885	2.4
109.06551	1.9
110.06072	4.0
112.07622	3.0
116.04977	4.3
119.08609	2.5
120.08135	5.6
122.06042	44.2
127.03945	2.3
140.07086	65.4
144.04497	10.5
146.06030	10.2
148.03947	6.6
150.05495	4.1
162.05481	9.8
167.07018	4.8
172.03947	54.6
173.09766	2.4
174.05516	3.6
190.04990	9.1
204.06590	100.0
206.08131	38.0
222.07648	3.5
244.09727	6.7
271.10959	3.4
272.63611	2.0
289.11859	17.3
300.12280	2.3
302.17587	4.4
307.12851	7.9
313.11847	4.7
331.13049	10.2
345.14374	19.2
346.20181	2.7
363.14825	2.6
364.20712	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	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54296	2.7
55.01864	3.6
55.05507	18.8
57.03428	2.5
57.07068	5.3
58.72173	2.5
67.05506	62.4
69.07043	5.4
70.06584	6.8
71.04607	5.4
71.04996	100.0
71.08617	10.8
71.27464	5.2
73.02938	3.8
77.01727	2.5
79.05480	10.7
81.07061	49.5
82.56168	2.6
83.08627	12.7
84.04517	15.9
85.02892	6.3
88.07625	8.6
91.05491	3.8
93.07028	9.2
95.08587	10.4
97.10172	18.7
99.08076	8.5
102.09163	6.6
103.03942	5.4
105.07021	2.7
107.08591	9.6
109.10161	39.7
119.08567	9.0
123.11709	14.9
125.09589	10.7
126.05509	6.2
132.10162	3.3
133.10094	3.7
135.11739	3.2
142.68733	2.6
149.13176	3.9
151.11159	5.5
155.10699	23.9
155.13091	5.4
155.14307	90.1
155.90735	2.6
159.02863	4.2
171.10249	2.7
172.42661	2.5
173.11746	67.8
179.14307	4.3
189.11214	22.0
190.14302	4.1
204.08795	2.8
227.16431	12.2
256.26382	24.3
259.20694	2.9
277.21603	22.4
286.86438	2.9
295.22626	4.7
362.10934	14.6
362.32666	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.1
57.07084	100.0
59.05003	16.5
59.70132	2.8
69.07081	4.3
70.04413	2.4
71.08638	78.2
71.52694	4.6
75.04514	6.2
84.47260	3.1
85.10194	72.6
94.29963	2.8
97.06500	4.5
97.10195	4.2
99.11755	14.7
113.13310	6.7
115.07581	33.9
117.09161	6.3
119.02402	2.8
129.01895	3.6
155.17955	8.6
164.26956	2.6
173.06076	2.7
174.77989	2.8
213.22159	11.7
333.09253	2.6
336.61639	3.0
345.30011	5.2
362.15683	2.7
371.91049	2.7
384.16211	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.35080	1.1
55.01879	7.0
55.05519	2.0
67.05510	3.7
68.99787	5.1
69.03429	2.6
70.03600	4.6
71.01362	100.0
71.04993	5.5
81.07055	2.1
81.42431	1.1
83.08580	1.0
85.02921	1.3
91.00680	1.1
95.08660	1.3
97.02898	6.0
99.04465	1.5
107.08652	1.6
109.02905	4.3
109.10188	1.7
112.02504	1.3
115.03958	1.1
119.08618	1.2
127.03925	17.6
131.04941	2.5
132.10199	1.8
148.05157	6.3
155.14374	2.1
157.06511	1.1
157.09875	1.3
159.04399	8.3
164.04694	3.1
173.06018	4.8
173.11746	3.2
175.03912	1.6
177.05585	1.5
185.06021	2.1
191.03514	1.3
197.06160	1.0
199.07558	2.8
203.03403	3.6
203.06993	1.1
207.45213	1.1
227.07045	3.4
229.05061	3.9
231.02917	13.9
231.06422	1.4
245.04553	6.6
249.03761	1.4
255.06558	1.4
257.04501	2.0
259.06125	1.5
271.06042	2.9
275.05594	7.7
293.06573	1.3
299.05475	7.0
317.06586	2.5
327.05051	21.8
345.06067	3.2
362.32648	4.4
363.06946	2.1
363.21466	2.7
363.33035	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36198	0.9
53.03944	1.5
55.05502	1.4
56.96556	1.5
59.24504	0.8
62.11153	1.0
69.03426	3.2
69.63613	4.7
69.64021	1.5
70.06596	3.4
72.08170	2.1
74.06066	1.6
74.09743	1.0
79.05508	1.8
81.03419	1.7
82.06549	1.1
83.05006	1.4
84.04511	3.2
84.08141	1.7
85.02931	6.6
86.09722	6.0
88.03978	1.1
91.05478	2.8
93.09470	0.9
95.04972	11.7
97.02896	2.7
98.97602	2.5
101.24659	0.9
101.73799	1.0
102.05570	2.4
107.04935	1.6
109.02888	1.4
113.02400	0.9
114.05574	1.3
116.98609	1.1
119.04989	1.8
120.06601	3.0
121.06519	3.2
122.06014	1.4
123.04439	100.0
123.30233	1.0
124.04745	1.0
127.03928	4.0
135.04451	2.5
136.07584	2.1
137.05992	2.8
138.06363	2.2
140.07037	1.3
147.04424	7.4
147.07924	1.0
153.05463	1.9
154.08694	1.4
164.07028	2.1
165.05496	68.2
182.08157	4.6
182.15395	7.0
188.03949	2.1
191.03502	1.6
200.09149	1.6
212.15114	1.1
215.13905	2.3
215.62035	1.0
244.53981	1.1
278.16895	1.0
278.95834	1.7
308.11319	1.5
312.39694	1.0
318.12408	2.6
323.20880	0.9
326.12128	1.2
362.11441	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	362.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83729	2.1
53.03943	5.2
55.01876	4.0
55.05520	2.1
56.05032	2.1
56.41116	2.0
56.96560	6.1
57.03433	5.8
61.02915	2.7
69.03436	23.6
69.07082	9.7
70.06596	5.6
70.35277	6.7
71.05004	4.3
71.87717	2.2
72.08147	3.4
73.02899	4.1
74.06091	5.0
74.50449	1.8
81.03431	15.1
81.07085	3.7
82.06588	2.7
83.04951	2.6
84.04502	5.7
84.08151	6.4
84.96011	2.4
85.02918	29.4
86.09733	14.5
87.04450	5.5
88.03976	2.8
91.05492	5.3
93.07055	3.6
94.06576	15.5
95.04961	5.9
97.02903	18.7
97.06564	2.9
98.20890	2.0
98.97593	17.0
99.04458	7.3
100.07637	3.4
102.05569	3.1
108.08121	7.8
109.02916	14.9
109.06506	4.9
110.06034	8.0
110.97548	3.1
112.07583	7.8
115.03942	2.9
116.98608	6.8
119.01810	2.7
119.04984	3.4
121.02869	7.9
121.06477	3.4
122.02741	2.6
122.05170	4.1
122.06040	57.7
123.04419	7.0
124.07597	2.3
127.03930	97.9
128.98633	2.4
135.04385	2.6
136.06184	10.3
136.07587	39.5
137.05994	4.6
138.09203	14.3
139.07532	3.8
140.07082	74.0
145.04955	13.4
147.04428	11.3
150.05467	2.9
152.07111	2.3
154.07387	2.6
154.08652	37.6
158.99663	4.6
159.03156	2.1
161.01353	3.3
161.02846	3.1
163.03923	4.3
164.07108	17.0
165.05443	5.3
165.09097	2.7
168.06564	6.8
170.99692	4.1
177.00778	4.8
182.08153	100.0
182.99673	3.4
185.03000	1.9
187.06076	3.4
187.14445	4.3
191.03856	8.8
191.53986	2.4
196.06030	2.7
200.04417	9.0
200.09209	39.8
201.00693	4.0
201.12340	3.9
210.07813	1.9
213.51952	2.4
215.14011	3.6
219.01787	7.6
224.09277	2.6
229.11964	2.2
230.08202	3.0
231.01743	2.1
236.07819	2.9
237.02846	3.8
240.07358	4.0
242.10324	9.5
248.09238	9.5
251.04367	2.2
253.10510	3.2
261.02963	3.5
278.95755	2.2
280.35660	2.4
281.06937	6.3
282.08383	2.3
290.10275	11.4
308.11307	27.4
321.08414	2.4
326.12402	51.8
344.13409	28.1
362.08353	2.8
362.14743	2.6
362.18878	2.8
365.07913	2.9
382.49814	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.092
Annotation	Dibefurin
Peak:m/z	Relative Intensity
55.01845	0.3
63.89354	0.2
68.99774	0.3
69.06850	0.2
70.09218	0.6
79.63622	0.2
85.02824	0.2
89.48988	0.2
93.06970	0.2
101.75837	0.2
105.03357	0.3
107.04922	0.2
107.28155	0.2
107.38082	0.2
107.51502	0.2
113.02358	0.4
117.03333	0.2
121.02852	0.2
123.00775	0.3
134.03642	1.7
135.04433	1.0
137.02312	0.7
139.00247	0.3
147.04344	0.2
148.05211	0.5
151.00221	0.6
153.01831	0.5
154.02576	0.2
161.02306	0.3
162.03207	0.2
163.03917	0.3
165.01830	0.2
166.02563	0.2
166.99751	0.4
167.03317	0.3
169.01337	3.3
173.05888	0.2
176.04683	0.7
181.01350	0.2
186.03012	0.2
187.03845	0.2
194.02075	0.2
194.99263	0.4
195.02863	0.2
197.00792	1.7
197.04507	0.3
201.05443	0.3
203.03365	0.4
204.04195	0.6
212.03130	0.4
213.05342	0.2
215.01794	0.5
216.04182	1.1
229.04880	0.5
230.04150	0.3
232.03629	0.3
239.03546	0.2
253.05005	0.3
257.04495	0.6
260.03122	1.0
265.03351	0.2
267.02933	0.6
271.06033	0.4
273.03973	0.8
275.05270	0.3
282.05164	0.4
283.06033	0.8
285.03952	5.6
286.04514	0.2
287.05383	0.2
288.02670	9.4
289.03171	0.2
295.02231	0.3
299.05521	2.8
300.06161	0.9
301.03424	0.7
302.04279	0.5
303.05011	11.0
310.04764	0.5
311.05557	0.4
313.03427	19.9
314.03915	0.4
315.05005	1.0
316.02185	1.5
317.06464	0.4
327.05005	2.0
328.05792	4.7
329.02710	0.2
331.04489	64.3
332.04791	0.9
343.08133	0.2
345.06155	0.5
346.06866	9.6
361.09186	100.0
362.09521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.092
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
68.99751	0.3
69.44441	0.9
69.44864	1.1
95.82159	0.2
113.73953	0.3
117.03324	1.2
126.96033	0.2
131.04877	0.3
133.02811	0.4
134.03621	0.6
137.05893	0.3
147.04315	0.3
148.05135	0.6
149.02274	0.7
149.05984	1.7
151.03874	1.2
154.99777	4.5
156.05719	0.3
159.04396	0.4
169.01311	1.1
173.05994	0.3
175.03908	0.6
177.05446	0.5
179.06981	0.4
182.99214	0.8
183.02841	1.1
184.05081	0.3
185.05884	0.3
191.06995	0.4
192.04135	0.8
197.00819	0.7
201.00320	0.3
201.05444	0.8
213.52090	0.3
215.03439	0.7
219.06563	0.5
229.04898	1.0
232.03661	0.6
241.05113	0.3
243.02940	0.6
243.06407	0.7
244.07274	0.8
257.04492	1.3
260.03168	0.9
261.04135	0.2
269.40784	0.2
271.02518	0.9
275.05463	0.8
285.03870	1.6
286.04764	2.3
288.02734	3.3
299.02124	1.5
299.05286	0.5
300.02890	0.4
300.06268	1.1
301.07074	2.2
303.05014	14.8
313.03415	2.2
314.04163	1.0
315.04971	0.9
316.02155	5.0
316.05530	0.6
317.06619	0.3
327.04910	0.4
328.05804	13.1
329.06519	1.2
331.04498	61.6
332.04764	0.9
345.06186	0.3
346.06854	13.9
361.09195	100.0
362.09631	2.3
375.03812	0.8
378.02783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.01873	4.7
55.05540	3.1
56.05031	3.6
56.96564	9.8
57.03430	7.3
58.06611	3.1
61.02917	4.7
67.01503	3.6
67.05492	5.0
69.03435	24.7
69.07063	10.2
70.06590	17.6
71.05011	4.0
71.50280	5.4
72.08167	4.5
73.02909	5.8
74.06071	6.0
74.09713	8.2
74.45453	3.2
81.03439	13.8
83.04992	4.7
84.04533	9.2
84.08128	6.9
85.02911	28.9
86.09715	30.8
88.03987	6.3
90.94845	3.0
91.05493	5.4
93.07078	3.8
94.06575	18.4
95.04977	7.2
95.08562	3.6
96.04503	5.2
97.02892	18.0
98.97606	20.9
99.04418	3.4
100.07652	3.5
102.05572	5.3
103.84505	3.0
107.08681	3.6
108.08112	9.0
109.02892	21.2
109.06531	6.2
110.06042	12.4
110.97573	3.5
112.03968	4.2
112.07594	9.1
114.05600	2.9
115.03955	5.6
116.98622	8.0
120.06596	3.8
121.02867	11.5
121.06496	4.2
122.06050	57.2
123.04434	18.0
123.08103	3.5
124.07649	4.7
126.05435	4.0
127.03930	91.8
128.07013	3.3
130.06470	3.1
132.20853	3.0
134.99667	3.5
135.07927	4.3
136.06230	25.6
136.07579	51.5
137.05981	11.6
138.09155	17.5
139.07578	3.2
140.07080	79.5
143.16196	3.4
145.04974	9.2
146.05959	2.7
146.28902	3.0
147.04430	8.1
150.05481	5.1
151.03970	3.5
154.08646	50.0
154.10591	3.1
158.54123	2.8
158.99696	5.3
163.03918	3.9
164.05907	3.3
164.07077	20.7
165.05482	12.4
168.06610	8.6
177.00740	6.4
182.08147	100.0
182.09793	6.1
183.06505	3.7
183.08160	3.7
187.06026	4.0
187.14468	6.5
188.03763	3.3
191.03549	4.8
196.06050	4.3
200.09203	46.5
200.11024	5.3
200.12831	3.9
201.00690	3.8
201.12349	11.8
208.08357	6.8
212.06291	6.5
215.13921	9.7
219.01782	9.2
223.09521	3.1
236.07864	13.6
240.07370	6.2
242.10214	7.9
248.09219	10.6
253.10474	6.9
282.08334	6.1
290.10297	11.5
299.11169	9.8
308.11255	19.6
326.12350	44.7
344.13474	40.8
362.14505	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89854	3.3
53.03924	4.4
55.01850	5.8
55.05514	37.8
59.04999	6.1
67.05508	65.7
69.07073	35.3
69.93614	16.6
71.04996	68.5
73.06536	7.8
73.88334	3.2
79.05499	69.7
81.07082	26.7
83.08619	19.6
87.08112	7.8
91.05485	20.6
93.06490	5.3
93.07053	77.1
93.87249	4.1
95.04980	5.0
95.08617	26.6
97.06533	9.2
97.10164	32.6
99.23680	3.7
105.07013	16.1
107.08610	58.9
108.41680	3.8
109.10175	56.3
111.08092	7.2
117.06934	4.4
119.08614	19.2
121.10154	70.4
123.11681	4.3
125.09653	26.2
133.10107	10.1
145.10121	9.2
147.11668	4.9
149.09634	8.8
153.09109	4.1
153.12769	49.5
155.10654	33.1
157.10234	5.1
161.13339	4.1
171.10214	5.5
173.11778	100.0
173.13277	3.3
179.14375	4.5
189.11285	30.4
257.19058	5.8
266.13852	3.5
275.20084	64.6
293.21082	5.6
333.37564	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
55.01880	10.5
55.05267	6.0
55.05518	65.6
57.03433	9.4
59.05013	26.9
65.03940	4.2
67.05518	100.0
69.03429	9.7
69.07079	81.9
69.62391	22.2
71.04998	81.7
73.06557	7.8
79.05508	93.7
81.03433	7.7
81.07069	65.2
83.05012	9.7
83.08630	35.5
85.06572	10.3
91.05501	41.2
93.07060	88.9
95.04980	19.3
95.08630	35.7
97.06551	38.3
97.10176	54.4
104.25093	4.2
105.07047	29.9
107.04961	8.7
107.08617	54.1
109.06522	14.2
109.10184	68.6
111.08099	12.5
113.06041	4.3
115.07570	7.0
117.07073	7.6
119.08582	22.8
121.06535	5.7
121.10157	77.7
123.11727	9.8
125.09668	37.9
131.08612	13.1
133.10173	20.5
135.08073	8.2
135.11725	7.2
137.09618	7.7
143.08588	4.2
145.10156	8.8
147.11732	7.5
149.09634	9.5
149.13274	5.4
153.12770	50.3
155.08661	4.0
155.10690	40.6
159.11726	6.0
160.97357	8.1
161.13322	6.5
163.11333	4.5
171.10179	6.1
173.11771	81.6
173.13164	5.7
179.01793	4.2
179.14256	4.7
189.11258	29.5
223.13376	7.5
237.14928	5.4
273.18570	6.4
275.20126	47.1
293.21124	7.0
326.43896	4.0
360.03366	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	361.0918
Annotation	Dibefurin
Peak:m/z	Relative Intensity
55.01842	0.2
60.79376	0.2
66.91141	0.1
67.05492	0.2
68.99763	0.2
69.16486	0.7
69.16921	0.9
75.37566	0.2
81.07052	0.2
83.01324	0.4
93.06982	0.2
97.02856	0.2
106.13358	0.2
107.08606	0.2
109.02834	0.3
113.02346	0.3
117.03340	0.4
134.03650	1.3
135.04424	1.0
136.05186	0.3
137.02271	0.6
138.03079	0.2
139.00247	0.3
147.04364	0.2
148.05173	0.4
151.00241	0.4
153.01765	0.2
158.03709	0.2
159.04384	0.2
159.11681	0.2
161.02325	0.3
162.03151	0.2
163.03888	0.2
166.02554	0.4
166.99612	0.3
167.03397	0.2
169.01318	3.4
176.04631	0.6
179.09933	0.1
187.03920	0.3
189.09108	0.2
192.66965	0.2
193.01419	0.2
194.02100	0.2
194.99248	0.3
197.00815	1.7
201.05396	0.3
204.04198	0.8
212.03046	0.4
215.01717	0.2
216.04140	0.7
229.04852	0.4
230.04164	0.2
231.02786	0.3
232.03731	0.3
239.03511	0.3
243.06448	0.2
253.04921	0.4
257.04428	0.5
260.03204	0.8
267.02859	0.6
271.05905	0.2
272.06772	0.2
273.03976	0.8
275.05508	0.3
282.05099	0.3
283.06000	0.9
283.08664	0.2
285.03949	5.2
287.05429	0.2
288.02658	8.6
295.02191	0.3
298.04608	0.2
299.02380	0.2
299.05508	2.6
300.06259	1.5
301.03394	0.6
301.06686	0.2
302.04187	0.4
303.04993	10.6
310.04681	0.4
311.05481	0.4
313.03418	19.8
314.03946	0.4
315.05090	1.0
315.08115	0.2
316.02106	1.0
317.06567	0.4
327.05017	1.3
328.05750	4.4
328.09421	0.3
329.02756	0.3
329.06464	0.3
331.04477	63.1
332.04910	1.2
345.06009	0.5
346.06815	9.9
361.09177	100.0
362.09503	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.092
Annotation	Dibefurin
Peak:m/z	Relative Intensity
55.01853	0.2
68.99773	0.5
69.31929	0.3
69.32327	1.1
70.66578	0.2
73.32477	0.2
93.30523	0.2
97.02894	0.3
98.20786	0.3
107.04915	0.3
113.02353	0.4
115.71067	0.1
117.03386	0.2
123.00788	0.3
123.04491	0.2
134.03650	1.5
135.04391	1.0
137.02347	1.1
138.03085	0.3
139.00198	0.3
141.01741	0.3
143.04903	0.2
146.63023	0.2
147.04424	0.4
148.05193	0.6
151.00298	0.4
153.01776	0.3
160.05257	0.2
161.02361	0.3
162.03119	0.2
163.03885	0.3
163.07506	0.2
166.02557	0.3
166.99739	0.5
167.03409	0.2
169.00000	0.3
169.01334	3.9
176.04697	0.7
181.01369	0.3
183.04503	0.2
185.00832	0.2
187.03996	0.4
193.01364	0.2
194.02014	0.3
194.99265	0.5
197.00826	2.9
197.04422	0.3
201.05450	0.3
204.04201	0.7
205.76535	0.2
206.67435	0.2
209.32286	0.2
212.03160	0.6
215.01772	0.4
216.04205	0.6
229.04984	0.5
230.04230	0.3
231.02916	0.3
231.38284	0.2
232.03592	0.5
243.06496	0.2
244.03857	0.2
257.04507	0.4
260.03226	0.8
267.02896	0.6
270.05048	0.2
271.06061	0.3
273.03900	0.9
275.05557	0.2
281.04520	0.3
282.05295	0.5
283.05966	0.8
285.03983	4.7
286.04373	0.2
288.02661	9.4
295.02295	0.3
298.04617	0.2
299.02234	0.2
299.05524	3.0
300.06339	1.7
301.03421	0.5
301.06851	0.2
302.04193	0.6
303.05011	11.7
310.04916	0.5
311.05539	0.4
313.03430	20.3
314.03748	0.5
315.04971	0.8
316.02240	1.1
317.06689	0.2
327.05060	1.9
328.05783	4.2
329.02945	0.2
331.04492	65.9
332.04935	1.1
343.08157	0.8
345.06085	0.2
346.03290	0.2
346.06851	9.4
361.09189	100.0
362.09567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01864	9.0
55.05518	63.4
55.42149	2.4
57.03427	7.4
59.04761	2.8
59.05009	35.5
65.03925	4.1
67.05509	77.5
69.03445	11.9
69.07073	100.0
70.96371	5.3
71.04996	72.2
73.02919	5.9
73.06541	4.2
79.05500	71.0
81.03421	18.2
81.07059	58.3
83.04992	13.4
83.08626	32.8
85.02919	5.1
85.06535	10.4
87.30522	2.4
91.05485	36.1
93.06478	4.1
93.07047	51.5
95.04974	25.1
95.08622	31.3
97.06539	59.1
97.09551	3.7
97.10174	51.0
99.08092	3.6
105.07044	27.2
107.04970	10.9
107.08601	37.8
109.06535	18.9
109.10156	22.7
111.04424	3.1
111.08099	7.2
113.05987	4.5
115.07564	13.0
117.07034	9.8
119.08584	23.1
120.05592	2.3
121.06509	10.7
121.10148	34.0
123.04462	2.9
123.08105	6.2
123.11696	6.3
125.09633	35.3
129.06972	6.9
131.08580	17.6
133.06497	4.2
133.10130	12.8
135.08064	8.3
135.11659	4.0
137.09595	7.7
143.08563	3.1
145.10112	9.6
147.08073	4.7
147.11673	9.2
149.09636	9.0
149.13190	3.4
153.12749	20.2
155.10661	10.6
157.10117	6.6
159.08017	3.7
159.11682	7.8
160.97289	5.0
161.09557	3.1
161.13242	4.5
161.43417	2.3
169.10147	3.3
173.11783	31.1
173.13211	3.9
175.11116	2.8
177.12785	7.1
179.14359	2.5
187.11203	3.8
188.23897	2.5
189.11249	20.2
191.14255	3.0
197.13188	2.5
219.13751	2.9
223.13310	10.9
227.16432	5.9
237.14868	8.4
257.18964	2.9
273.18503	14.0
275.09412	2.3
275.20169	23.2
291.19626	5.0
293.20886	3.5
325.20135	6.2
360.03217	3.9
360.23846	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	360.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01878	12.6
55.05516	76.8
57.03435	10.0
57.07094	3.5
59.05009	48.1
65.03932	5.3
67.05512	90.7
69.03427	13.0
69.07078	100.0
69.86418	3.3
69.86753	17.1
71.05000	66.2
73.02925	12.1
73.06526	3.0
79.05077	4.6
79.05507	65.4
81.03428	22.6
81.07063	62.2
83.04995	11.3
83.08631	33.5
85.02902	5.0
85.06541	9.9
91.05488	33.6
93.07056	56.4
95.04970	22.6
95.08611	29.2
97.06542	52.9
97.10178	57.4
99.43200	2.9
105.07047	24.5
107.04963	14.2
107.08601	44.1
109.06522	19.5
109.10159	28.0
111.08115	7.5
113.06059	5.7
115.07586	30.4
117.07046	11.1
119.08610	19.8
121.06513	11.1
121.10168	31.4
123.08047	5.1
123.11681	3.8
125.09638	48.2
129.07101	4.0
131.08577	11.1
133.10162	11.0
135.08067	9.3
135.11685	4.3
137.09624	10.6
143.08638	3.5
145.06573	3.1
145.10153	10.2
147.11681	7.0
149.09622	9.2
153.12775	23.1
155.10704	12.8
159.11685	5.7
163.11215	4.8
171.10109	3.4
173.11768	35.0
189.11224	22.9
195.13817	3.4
198.58992	3.2
223.13312	15.3
237.14867	6.9
273.18491	12.7
275.20090	32.5
325.20148	7.2
360.23685	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.70978	0.5
53.03944	0.5
55.01865	1.5
55.05509	1.2
56.26886	0.6
57.03449	0.7
59.04983	0.9
61.02935	1.2
67.05495	2.2
69.03436	2.8
69.07061	1.7
70.06588	1.3
71.37592	1.2
73.02913	0.6
79.05490	2.8
81.03413	1.4
81.07069	4.8
85.02911	9.5
85.06541	1.1
86.09718	5.1
91.05500	3.0
93.07048	7.9
95.04977	1.5
95.08613	5.5
97.02904	2.7
97.06525	0.7
105.07045	7.2
107.04993	0.6
107.08602	31.6
109.02887	1.7
109.06513	0.8
109.10160	2.9
119.04948	0.9
119.08590	6.4
121.06546	1.4
121.10154	6.5
121.78481	0.5
123.08089	1.1
123.11708	1.6
125.05993	0.6
125.09643	0.9
127.03880	1.7
127.04813	0.6
131.08568	0.9
133.06529	0.6
133.10139	18.0
135.11696	1.8
137.05988	1.6
137.09634	1.0
139.07555	1.1
139.11189	0.6
143.08553	1.1
145.04976	1.3
145.10168	0.9
149.09615	4.2
149.13284	0.6
151.07602	0.8
151.11192	7.0
161.09630	4.9
161.13222	0.8
167.10680	13.0
175.14886	0.6
179.10687	16.3
183.11346	0.9
188.51770	0.5
197.11746	100.0
198.12086	0.8
200.13924	2.4
228.13489	0.7
305.25021	0.7
322.93216	0.5
359.17004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01856	5.5
55.05514	32.7
59.04997	4.6
60.13574	3.3
61.36015	3.7
67.05183	5.2
67.05511	67.8
67.78857	3.9
69.03410	6.3
69.06801	3.6
69.07075	39.8
69.77569	23.5
71.04998	100.0
73.06538	7.1
79.05080	5.3
79.05501	84.6
81.07057	46.5
83.08627	21.5
85.06501	4.6
87.08126	4.6
91.05478	28.7
93.07049	70.6
95.04953	5.0
95.08614	30.1
97.06504	14.3
97.10183	35.4
98.20763	7.1
105.07027	26.4
107.04942	6.6
107.07982	5.2
107.08611	62.9
109.10169	53.3
111.08066	5.1
117.07005	7.1
119.08568	16.8
121.06507	4.0
121.09347	5.3
121.10161	73.0
125.09612	25.6
131.08559	12.5
133.10121	14.2
135.11734	7.0
145.10092	6.2
147.11699	5.0
149.09608	7.9
149.13235	8.7
153.09087	5.1
153.12743	52.9
155.10690	40.8
159.11716	10.3
160.97389	6.3
171.10161	9.1
173.11755	90.9
176.40002	4.0
177.12709	6.8
181.40457	4.0
189.11234	25.7
193.84351	3.9
195.13785	5.6
197.13403	5.5
227.16417	31.5
257.19083	5.8
258.54025	4.1
275.20041	73.7
293.21042	6.5
307.22549	9.1
360.03409	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01876	9.2
57.03444	9.2
58.36169	1.0
58.45722	0.9
61.02929	6.7
62.77659	1.0
69.03434	34.7
70.06598	1.9
70.66380	1.2
70.66717	2.3
71.04994	2.0
72.08150	1.4
73.02922	6.6
81.03403	4.5
82.06570	8.2
85.02912	100.0
87.04486	2.2
97.02902	33.3
97.33091	1.0
99.04471	6.6
100.07629	15.7
101.00892	2.3
101.02415	5.9
109.02884	5.1
115.03941	4.6
117.04004	1.1
119.01904	3.4
119.04920	1.2
121.02837	1.1
127.03930	71.6
131.01926	1.4
133.05002	0.9
143.01898	2.5
145.04971	64.3
147.04378	3.6
157.03423	1.8
161.02992	2.3
163.03920	1.8
163.06021	17.2
169.03506	1.1
180.08626	4.0
185.02922	1.4
189.02364	1.4
204.07181	2.4
213.02386	1.3
215.00577	1.0
228.07173	3.2
243.49805	1.1
245.05125	1.8
246.08499	1.2
253.07724	1.6
254.08707	4.2
271.08670	1.4
272.09775	3.1
277.07748	1.4
284.72165	1.1
289.09335	1.2
298.07715	1.6
316.08746	2.3
360.07925	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31016	0.8
53.03944	1.4
57.03419	1.1
60.04527	1.2
61.02921	1.6
65.64700	0.9
69.03448	1.7
69.07056	1.4
69.16632	7.1
69.17049	2.2
70.06570	2.5
71.04982	1.3
79.70702	0.8
84.08113	1.0
85.02904	6.2
86.03219	1.2
86.09713	10.1
91.05507	1.2
93.07041	2.0
95.04935	1.1
95.08587	0.8
97.02915	2.1
105.07050	2.0
107.08578	4.0
108.08924	4.1
121.02901	1.8
121.10168	0.9
127.03905	2.1
132.10094	0.8
133.02846	2.1
133.10133	2.1
134.10458	3.0
135.04466	1.5
145.04955	1.4
146.02644	1.6
147.11842	0.9
149.02351	100.0
150.02707	1.0
152.11603	1.1
158.29681	0.7
163.03917	66.7
167.10657	1.2
168.11005	2.8
179.10744	1.1
180.08647	1.1
180.11079	3.1
181.04970	31.3
197.11748	7.5
198.12086	15.6
206.45050	0.8
229.11804	1.9
247.12920	1.2
247.71233	0.9
271.13684	1.4
335.65088	0.9
360.18335	5.8
360.22095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.45409	0.6
55.01860	1.9
56.46603	0.6
57.03421	3.1
57.44495	0.7
59.04996	1.8
61.02687	0.6
61.02930	5.7
67.05492	2.5
69.03099	0.7
69.03437	11.8
69.07061	1.1
70.06579	1.2
70.80022	1.3
71.04982	2.2
72.08154	1.0
73.02918	1.8
79.05481	2.7
81.03437	5.3
81.07052	2.7
85.02911	35.4
86.09686	1.5
87.04471	2.1
91.03957	2.5
91.05481	6.1
93.07049	4.7
95.04962	1.5
95.08594	3.1
97.02903	12.7
99.04456	2.7
105.07039	7.2
107.08603	51.4
109.02884	3.7
109.06493	1.4
109.10165	9.7
119.04937	1.2
119.06081	0.6
119.08591	3.4
119.25610	0.6
121.06525	3.3
121.10140	2.2
123.11733	1.7
127.03935	8.1
131.04999	0.9
133.10141	20.5
135.11702	10.3
137.05966	3.1
137.09615	6.2
139.07539	0.7
145.04976	11.6
151.03893	0.8
151.11200	4.2
161.09608	7.8
166.08664	1.4
167.10658	1.1
175.07558	0.9
179.10684	22.9
192.93347	0.7
197.11742	100.0
207.06514	2.1
233.11523	0.6
279.10156	0.8
311.12772	0.7
359.13086	1.1
359.17188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43411	0.6
53.03939	1.4
55.01857	1.7
55.05507	1.2
57.03429	3.0
58.71911	0.7
61.02927	3.6
61.14275	0.6
67.05507	1.4
69.03440	6.3
69.07067	0.7
70.76953	1.3
70.77348	1.3
73.02935	3.7
79.05489	3.1
81.03407	2.6
81.07055	1.6
83.04979	0.7
85.02911	22.0
86.09704	4.9
87.04478	1.0
91.05489	4.5
93.07051	6.4
95.08605	2.5
97.02911	6.5
98.97584	1.0
99.04485	1.1
103.05466	1.1
105.07044	8.7
107.08602	36.2
109.02869	2.4
109.06512	0.9
109.10172	2.5
111.04427	0.8
113.06012	2.9
119.08594	5.1
121.06512	1.7
121.10168	6.6
123.08051	1.3
123.11691	1.4
125.09691	0.9
127.03922	3.2
131.08542	0.8
133.06525	0.9
133.10150	21.1
137.05991	2.8
137.09607	1.4
139.02263	0.8
139.07541	1.1
141.10268	0.9
143.08601	1.0
145.04971	2.6
149.02356	7.7
149.09605	3.1
151.07614	0.9
151.11185	7.4
154.92767	0.6
155.11714	0.9
161.05971	1.0
161.09613	5.3
163.03941	5.0
163.07494	0.7
167.10690	16.8
179.10667	19.1
181.04999	3.1
183.11378	0.9
188.02229	0.8
197.11748	100.0
198.12010	1.3
200.14000	2.2
201.00684	0.7
228.13501	1.4
230.33170	0.7
279.10193	1.5
303.05038	2.3
311.12595	0.9
327.05597	1.0
377.01880	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.93581	0.3
55.05507	0.7
57.07078	0.4
61.21219	0.2
62.18540	0.3
67.05502	0.3
69.07067	0.5
69.28870	1.2
69.29307	1.3
70.06600	0.9
71.06921	0.3
80.49714	0.3
83.08595	0.3
87.04477	0.8
88.07632	1.4
89.07935	0.3
96.16336	0.3
98.21575	0.6
104.04999	2.0
106.08659	0.4
108.25493	0.3
116.65251	0.3
119.08601	0.3
132.04465	100.0
133.04788	1.1
150.05499	0.3
153.02194	0.6
164.07083	38.2
170.68053	0.3
173.07162	0.4
195.03273	1.4
236.13693	0.4
278.33270	0.3
296.33026	0.3
314.98956	0.3
326.06955	3.4
339.34302	0.3
354.56281	0.3
357.35568	7.4
357.39990	0.5
358.36780	1.5
362.96951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	7.7
65.90923	0.7
67.05502	1.0
69.03414	1.3
69.07066	1.0
69.87263	0.7
70.06603	4.0
71.50993	1.2
72.08152	1.4
73.06561	1.3
77.06053	1.2
79.05485	1.4
81.03455	1.0
84.04515	1.4
84.08160	1.4
85.02919	1.3
86.09717	4.1
87.04475	36.7
89.06038	67.0
93.07041	0.9
100.07622	0.9
103.03948	100.0
103.07593	4.8
107.07076	1.4
107.08598	0.9
108.04478	2.1
116.07113	0.9
119.07086	2.9
121.06585	0.9
121.08649	3.0
124.07569	1.3
129.10223	0.9
131.07057	9.1
133.08611	43.5
137.09590	0.9
138.09093	1.0
147.06532	12.0
147.07632	0.7
152.31902	0.8
154.44742	0.7
158.78943	0.9
163.09694	3.2
166.08591	1.1
175.09673	5.0
177.11256	11.1
181.11736	0.8
191.09155	7.0
201.55988	0.7
207.12300	7.5
209.13922	1.7
219.12299	1.6
220.64143	0.8
221.13826	3.0
235.11798	8.4
239.12611	0.8
239.14963	1.9
251.38043	0.8
279.14255	1.2
283.17633	1.3
295.17514	7.0
313.18454	1.8
321.74402	0.8
323.17172	4.2
341.18097	35.5
342.18570	0.9
346.50732	0.8
358.15762	1.8
359.16254	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	358.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32750	0.7
59.05006	8.1
67.23221	0.7
69.03427	2.2
69.40852	2.5
69.41276	3.0
81.07066	0.8
85.02905	5.0
86.09685	0.8
87.04473	3.4
88.33555	0.7
89.06039	100.0
89.10508	0.7
91.05470	1.1
93.07039	2.5
97.02880	1.3
103.07592	2.4
103.66354	0.8
105.07014	1.5
107.08614	3.5
109.02876	1.2
130.08626	0.9
133.08617	46.9
133.10199	2.6
135.11713	2.9
137.06047	0.8
146.03209	1.0
147.10202	2.3
161.09677	1.2
165.05499	4.2
166.05858	3.7
168.50813	0.9
177.05502	1.2
177.11240	16.4
178.05873	1.2
179.10646	4.5
191.12834	1.2
195.12366	2.7
197.11754	14.5
199.83107	0.8
214.24866	0.8
221.13857	1.3
239.12866	0.8
239.14908	4.1
253.06190	0.8
283.17538	46.2
284.18015	0.9
341.21732	28.2
358.15668	1.0
366.33087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43447	31.3
55.39551	31.8
64.16806	35.5
64.76926	35.1
70.64911	100.0
71.06261	43.0
80.02781	33.5
80.18011	33.2
86.09664	35.9
107.08614	37.1
120.80460	38.6
176.77492	44.5
217.42363	37.1
289.74799	34.2
372.69022	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54579	32.0
70.63734	50.5
70.64064	74.9
76.24386	32.0
79.05501	43.1
81.07051	95.1
82.07435	43.7
95.08620	100.0
109.10146	45.4
113.94766	35.2
123.11693	38.1
171.48697	34.5
231.10056	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03940	1.6
55.01862	1.5
57.03419	2.0
59.04999	1.7
61.02922	2.6
66.29324	0.5
67.05489	1.2
69.03091	0.6
69.03432	7.2
69.07076	0.7
69.77969	1.7
71.04975	0.8
73.02913	1.1
79.05489	2.2
81.03422	3.3
81.07050	1.8
83.04967	1.0
85.02911	28.6
86.09700	1.0
87.04481	0.7
89.06039	3.7
89.37741	0.4
90.06370	1.2
91.03955	0.8
91.05495	3.8
93.07043	7.0
95.04958	2.4
95.08611	1.0
97.02894	6.3
99.04443	1.5
102.81514	0.4
105.07043	6.3
107.05003	0.6
107.08600	17.6
109.02866	3.2
109.06528	1.4
109.10141	2.0
114.58485	0.4
119.04942	0.7
119.08582	2.3
120.09380	0.5
121.02859	1.1
121.06517	1.9
121.10146	1.3
123.04443	1.4
123.11703	1.2
127.03925	5.2
131.04970	0.5
131.08638	0.5
133.08553	1.4
133.10139	19.8
134.08974	0.5
135.11700	19.4
137.05995	1.3
137.09598	1.0
137.86870	0.5
139.11148	0.6
145.04959	3.2
146.07283	0.7
149.09605	1.5
151.11195	1.5
161.09634	12.0
165.05409	0.6
177.11209	1.0
179.10680	35.3
197.11742	100.0
198.12071	1.3
214.12900	0.5
284.17856	1.1
290.10471	0.5
308.50351	0.5
342.21933	0.7
359.16827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2787
Annotation	Neogrifolin dimethyl ether
Peak:m/z	Relative Intensity
53.03940	1.5
55.01868	1.1
55.05513	12.0
57.06825	0.4
57.07082	3.9
65.03930	0.5
67.05139	0.4
67.05508	7.6
69.03450	0.3
69.07072	22.6
69.93520	1.3
71.04987	0.5
71.08638	2.0
74.91064	0.3
79.05499	4.3
80.17007	0.3
81.03405	0.7
81.07060	11.9
83.08156	0.5
83.08623	9.0
85.10184	0.5
91.05487	6.1
93.07049	11.4
95.04942	0.6
95.08612	32.7
97.02915	1.9
97.06532	0.3
97.10171	4.1
102.48674	0.3
103.05473	0.7
105.07036	8.3
107.04941	0.4
107.08599	9.8
109.02887	6.6
109.06513	0.8
109.10165	7.3
111.04478	0.3
111.11727	1.6
115.05464	1.3
117.07024	3.9
119.04905	0.4
119.07807	0.5
119.08587	6.2
121.06515	1.2
121.09335	0.5
121.10156	6.9
123.04433	0.4
123.08075	0.5
123.11711	4.6
125.13286	0.5
128.06207	1.4
129.07008	2.1
131.08578	5.9
133.06493	1.4
133.10136	4.5
135.04402	0.9
135.08076	0.8
135.11696	5.8
137.06012	0.7
137.13252	3.6
139.14920	0.4
141.07040	0.5
142.07790	0.9
143.08571	5.2
144.09341	0.5
145.06532	1.8
145.10127	7.2
147.04402	3.9
147.08044	1.3
147.11694	3.5
149.05984	1.5
149.09654	0.8
149.13268	4.5
151.07579	0.8
151.14839	1.1
155.08530	0.5
156.09341	0.8
157.06490	0.4
157.10149	4.0
158.07228	0.3
159.08080	0.9
159.11687	2.2
161.05998	1.6
161.09607	1.8
161.13229	0.8
163.07524	1.3
163.11195	0.6
163.14864	1.4
165.09064	0.4
165.16386	0.6
167.08583	0.5
169.10155	0.5
170.10934	0.3
171.08067	2.3
171.11685	2.6
173.09605	2.2
173.13301	1.3
175.07489	0.4
175.11214	0.5
175.14856	0.4
177.09155	1.0
177.16370	1.9
181.10046	0.3
183.11696	0.8
185.09651	1.1
185.13272	2.7
187.11086	0.4
187.14793	0.6
189.09113	3.5
190.09875	0.4
191.10680	3.0
191.17958	0.9
199.11157	0.9
199.14816	2.8
201.12819	0.4
203.10728	0.8
205.12233	0.5
205.19679	0.3
213.12778	0.8
215.14371	0.4
217.12244	1.1
219.13832	1.2
227.14293	1.4
227.17896	0.5
229.15860	0.3
231.13858	2.2
245.15440	1.5
261.25787	0.5
269.19128	0.3
273.18518	0.4
314.34259	0.8
357.27884	100.0
358.28256	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01876	5.9
55.05518	47.5
57.07072	4.4
67.05527	14.6
69.03423	13.3
69.07073	24.4
69.58340	19.1
71.05003	4.6
72.08154	13.8
73.08487	4.5
74.09710	4.4
79.05500	31.5
81.03431	12.1
81.07066	75.7
82.06592	39.4
83.04979	5.8
83.06924	13.6
83.08638	7.6
85.06559	6.3
91.05498	15.9
93.07056	41.7
95.04967	9.6
95.08617	34.0
97.02901	7.2
97.06534	8.9
97.10174	100.0
98.20853	6.7
99.04456	3.5
99.08084	6.1
100.07663	6.3
105.07039	23.3
107.08601	44.1
108.70317	3.0
109.02884	31.1
109.06520	5.5
109.10170	29.9
111.04399	4.1
116.59573	3.5
117.03409	6.3
119.08605	23.1
121.06522	6.1
121.10167	15.6
123.11703	25.0
125.09628	24.4
127.03933	15.8
128.07086	15.2
129.07451	8.8
131.08597	4.7
133.10123	24.6
135.11707	61.1
137.05997	13.7
139.11113	4.5
143.10675	35.6
145.02872	15.9
145.10132	8.1
146.08131	4.8
147.11699	17.3
149.13277	10.6
151.03908	4.7
151.11209	5.9
153.12740	33.1
159.11702	10.5
160.05168	3.6
161.13260	8.1
163.14896	3.6
165.09148	6.4
167.07085	8.0
171.10138	5.2
173.13274	4.1
175.11090	3.5
177.05510	46.0
177.12729	3.9
187.14841	7.0
187.26884	3.6
189.11218	6.1
189.16434	5.5
195.13789	3.0
203.07097	5.5
219.08159	4.0
221.06085	3.3
225.05479	3.9
235.16934	12.2
236.08427	4.0
247.07574	3.6
247.85973	3.2
249.05525	3.8
265.08578	4.5
267.21078	3.6
285.22250	9.7
291.23209	11.3
297.07626	4.0
297.11597	3.1
303.23264	28.2
307.09329	6.5
309.24335	13.7
311.12906	4.9
321.24234	22.1
327.12146	4.4
339.08636	7.1
339.12302	4.1
339.25528	15.0
357.09207	16.8
357.13263	17.0
357.20892	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	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67458	28.1
60.67806	24.9
67.05520	39.8
69.07038	32.4
70.88424	38.4
70.88765	62.3
72.44145	31.0
79.05487	50.9
81.07040	77.0
91.05447	32.6
93.07007	34.8
95.08604	64.7
100.31979	36.0
107.08618	27.2
108.08928	31.0
116.83899	35.6
127.03893	30.5
137.05962	38.3
138.06239	29.0
141.01781	53.0
160.12010	27.6
209.11867	36.1
224.47914	28.8
225.65997	29.9
246.54869	28.1
356.26431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78109	42.0
58.06594	63.4
67.05504	54.2
70.70259	100.0
72.98341	44.4
81.07066	66.1
91.23941	43.7
93.07037	47.0
98.55974	39.5
109.10140	64.2
182.83734	42.5
210.82788	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3527
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03943	0.3
55.05520	6.8
55.99465	0.2
56.72198	0.2
57.07084	1.5
58.06602	0.8
62.06089	0.3
67.05487	0.4
69.07079	6.0
70.06602	10.5
70.96481	0.2
70.96796	0.3
71.08628	0.6
74.06078	0.4
80.45940	0.2
81.07073	0.3
83.08632	3.3
85.10202	0.3
88.07644	14.1
92.28764	0.2
95.08644	0.2
97.10180	1.2
102.09192	3.6
106.08685	7.0
108.37095	0.2
118.08613	0.2
120.47784	0.2
131.16978	0.2
151.88573	0.2
154.28497	0.2
220.87564	0.2
239.36221	0.2
245.69656	0.2
282.41019	0.2
294.31384	0.2
312.32611	0.8
338.30273	0.5
338.34180	5.7
356.35269	100.0
357.35635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
54.89766	1.3
55.05539	1.7
56.96565	1.7
57.03444	2.5
65.03944	2.6
69.03436	5.7
69.52309	10.4
70.06600	5.8
72.08173	2.4
73.02908	1.7
79.05493	2.5
81.03423	6.3
83.04980	2.1
84.08131	7.4
85.02902	6.8
86.09719	3.5
87.00865	1.9
88.02227	1.8
89.06049	7.8
91.05476	14.7
95.04964	2.9
97.02892	4.4
99.04464	3.4
105.01877	2.5
106.26912	1.7
107.04969	2.2
109.02891	2.0
119.04951	28.3
123.04368	1.8
127.03948	2.7
129.10214	2.2
133.08638	3.3
136.07607	2.0
137.05971	9.8
147.04425	100.0
149.07124	3.4
163.03947	2.1
165.01845	2.4
165.05476	8.1
175.03923	1.9
177.05342	2.7
177.06679	4.3
177.11264	1.9
181.05066	2.4
183.06523	3.4
195.12306	12.9
197.01210	1.5
205.06151	3.6
207.07666	3.2
208.02631	1.4
223.07169	13.4
321.10767	3.3
339.11874	23.9
357.12140	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	357.2638
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03942	5.3
55.01865	3.2
55.05272	3.6
55.05516	49.4
56.96207	2.0
57.03434	3.9
57.07058	3.5
60.23277	2.0
67.05511	24.2
69.03442	11.4
69.07079	32.6
71.04985	3.1
71.51691	3.3
71.52060	2.9
79.05493	12.4
81.03426	10.4
81.07062	61.5
82.07396	2.9
83.04971	5.3
83.08632	7.7
85.06551	8.3
91.05488	8.2
93.07066	20.0
95.04990	5.4
95.08614	48.8
97.02868	3.0
97.06550	17.3
97.10180	100.0
99.04462	2.2
99.08099	6.8
101.06022	7.6
105.07049	18.0
107.04972	3.1
107.08612	21.6
109.02877	14.4
109.06528	6.4
109.10163	22.4
111.04436	2.4
111.08088	6.1
111.11729	4.9
119.08617	13.4
121.06545	3.3
121.10159	15.1
123.08094	3.5
123.11694	23.0
125.09633	19.6
127.03918	8.9
131.08600	3.5
133.10147	9.8
135.08072	3.5
135.11720	9.5
137.06001	15.6
137.09642	3.8
137.13278	4.7
138.09181	2.6
139.11157	13.9
143.08514	2.6
143.10692	36.4
145.02885	3.1
145.10159	5.1
147.11717	11.6
149.09689	2.5
149.13289	6.6
151.03947	2.1
151.07608	4.0
151.14830	3.6
156.85428	2.1
157.10114	3.9
157.12253	9.9
159.11707	7.3
161.09656	2.0
161.13252	7.1
161.24362	2.4
165.12759	6.8
167.07088	4.4
167.14433	2.5
171.10210	4.5
173.05984	2.4
173.13248	3.9
175.14827	3.7
177.05524	7.7
177.12834	3.0
179.14304	2.2
179.77994	2.8
183.13797	4.0
187.14925	3.0
189.11253	7.0
189.12759	2.4
191.14349	2.5
201.16370	2.7
206.24222	2.1
233.15346	3.5
235.07408	2.4
257.22479	2.4
275.23648	2.6
285.21854	2.5
291.23181	6.1
297.11166	2.5
303.23090	15.9
309.24182	6.0
321.24228	29.8
321.27789	3.7
325.10864	3.3
327.12381	3.0
339.12158	3.1
339.25421	8.4
357.09085	6.3
357.13370	11.1
357.17221	6.3
357.27429	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2846
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.14634	1.8
53.03970	2.5
55.01877	2.8
55.05520	29.4
56.11034	1.7
57.03449	8.1
57.07082	15.1
58.82767	1.7
65.03602	1.5
65.03941	1.9
67.05513	89.3
69.07078	39.4
70.06591	2.6
70.37943	1.6
70.96188	2.2
70.96544	3.5
71.08634	5.9
79.05502	24.7
81.07064	100.0
83.04996	2.2
83.08624	30.8
85.06544	4.0
85.10164	2.6
88.07641	1.9
91.05488	18.9
93.07050	33.4
95.04987	2.6
95.08615	90.9
97.06556	8.4
97.10178	18.6
99.08107	3.5
105.07052	14.4
107.08611	23.8
109.06516	2.2
109.10168	49.8
111.08070	4.7
111.11740	5.6
113.09602	2.5
119.08598	14.2
120.80911	1.7
121.10155	35.4
121.96693	1.7
123.11708	27.3
125.13289	3.3
127.11171	2.2
129.05496	2.6
131.08542	1.8
133.10141	21.8
135.11705	16.5
137.09619	2.1
137.13255	9.1
147.11728	9.0
149.13280	15.1
151.11226	3.2
151.14861	7.0
161.13254	16.7
163.14853	12.5
165.16319	8.3
167.14288	2.8
175.14838	9.9
179.18010	5.7
189.16429	5.6
193.15962	1.9
245.22685	50.2
263.23721	53.6
265.25375	2.3
337.27417	41.5
355.28555	10.1
356.35220	17.5
370.59561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
57.03436	9.2
59.03931	4.2
61.02924	8.7
64.71704	5.3
69.03439	42.8
69.52420	31.1
70.06602	7.4
71.04996	11.7
72.08150	4.8
73.04758	5.1
73.06554	11.0
81.03431	33.0
84.08161	100.0
85.02921	96.9
86.09724	5.1
87.00852	46.7
87.04480	7.5
91.05477	10.0
97.02901	36.9
98.97596	6.5
99.04470	17.6
100.07616	8.9
103.05473	4.7
105.01889	63.3
109.02891	25.0
110.07165	7.4
119.04957	18.1
121.02885	7.0
127.03938	83.2
131.07059	5.5
132.01021	4.7
135.04388	5.9
136.06168	18.4
137.05969	8.7
141.10277	7.5
145.05013	24.1
147.04430	58.7
148.07610	5.3
148.84082	5.6
163.03954	18.4
164.04285	21.8
164.07123	6.1
165.05453	7.3
166.04962	6.1
192.31505	4.8
194.04562	21.9
231.04974	29.2
249.06100	14.7
268.10455	7.0
303.10971	26.5
339.11679	5.8
356.09030	4.7
356.13220	8.3
356.22974	16.7
371.29797	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	356.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
55.87198	0.3
58.06602	0.6
65.03941	1.0
67.04253	4.4
67.05515	1.8
69.03433	3.8
69.07072	1.6
69.24940	1.2
69.25368	1.4
71.04993	1.0
72.08173	0.4
77.15199	0.3
79.05499	1.6
79.69425	0.3
80.05019	1.2
81.03442	0.5
81.07065	6.3
82.06583	100.0
83.04997	0.6
83.06915	0.3
83.07366	0.9
83.08619	0.7
85.06547	0.9
87.04489	0.3
88.03994	4.6
91.05473	1.6
92.05771	0.3
93.07039	1.1
95.08600	1.8
97.06561	0.6
100.07623	19.9
101.98566	0.3
105.07016	2.7
105.89803	0.3
107.08602	0.8
109.06512	0.3
110.06066	0.3
118.08683	0.8
119.08556	1.6
121.10136	1.5
123.11724	2.1
126.05526	0.6
128.07086	52.3
137.06036	0.4
144.06592	0.8
146.08133	12.7
147.11705	3.2
149.80821	0.3
165.12764	0.6
183.13824	0.3
310.20178	1.7
312.21759	0.3
338.19666	6.2
339.19482	0.4
356.20691	68.5
357.09421	0.3
357.20996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52995	9.7
55.05505	14.5
67.05515	65.6
68.05814	12.3
68.97006	10.8
69.07058	23.9
69.29122	100.0
76.55347	10.7
79.05466	17.9
81.07060	59.6
82.07389	23.8
83.08646	13.6
86.33197	9.6
93.07058	21.7
94.07376	16.4
95.08603	42.0
96.08930	18.7
107.08583	15.4
109.10156	23.7
110.10500	17.3
121.10166	18.5
123.11700	13.3
125.09624	25.0
133.10188	15.9
138.03569	11.4
149.13217	14.9
163.14957	11.1
239.87366	10.8
246.23006	39.4
262.22446	16.0
264.23956	25.5
286.30368	10.3
294.39929	11.7
296.51895	9.9
310.15628	12.7
338.27655	20.8
356.27975	15.2
356.35181	44.3
363.38870	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	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10216	59.0
52.39340	64.8
71.25333	100.0
83.15325	55.5
97.02895	60.1
115.51282	55.5
292.85800	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79163	15.8
67.05494	16.4
68.77322	15.8
69.59199	100.0
74.04704	17.1
79.11579	15.9
81.07038	25.3
92.08159	17.2
93.07076	15.8
97.32494	16.7
105.07018	25.9
109.66498	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	19.4
69.75166	100.0
74.75765	18.0
79.05445	21.3
87.35348	18.4
100.45927	17.7
102.35603	16.8
171.28253	20.9
175.71884	17.9
335.70358	19.0
335.75137	19.4
355.78018	18.4
356.26358	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03950	2.0
55.05514	34.3
57.03449	9.9
57.07079	12.7
57.21984	1.1
57.50324	1.4
58.76095	1.5
65.03934	3.1
67.05508	80.1
69.07069	39.4
70.06572	1.6
71.04999	1.7
71.08628	5.5
71.52308	1.7
73.04765	1.5
73.71460	1.2
79.05499	23.6
81.07060	100.0
83.04995	1.9
83.08627	28.3
85.06556	4.8
85.10185	2.6
88.07624	2.6
91.05477	17.8
93.06481	2.1
93.07055	28.6
95.04975	1.8
95.08611	83.1
97.06564	8.6
97.10171	21.7
99.08113	3.6
102.40811	1.2
105.07052	13.8
107.08602	19.8
109.06459	1.4
109.10164	41.2
111.08088	6.0
111.11725	5.2
111.94034	1.2
113.09649	2.4
119.08595	15.6
121.10144	24.7
123.11703	18.5
125.09612	2.5
125.13293	2.1
129.05507	2.0
133.10123	17.9
135.11697	12.3
137.09627	3.0
137.13229	6.8
137.82144	1.3
141.12743	2.6
145.10077	1.7
147.11667	11.4
149.13280	10.4
151.14825	6.8
161.13283	10.3
163.14832	11.2
165.12787	1.8
165.16429	6.8
167.14323	1.5
175.14844	9.2
177.16460	2.0
179.17978	5.1
189.16420	5.4
203.18060	2.1
207.17415	1.5
207.96878	1.3
245.22656	43.5
263.23737	48.3
265.25244	1.8
275.83224	1.4
337.27399	30.8
355.24695	1.8
355.28418	19.3
355.33948	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03935	3.3
55.05278	2.2
55.05514	28.4
57.03423	6.6
57.07080	13.9
63.79491	1.9
65.03941	3.5
67.05508	74.9
69.07071	39.3
71.04986	2.1
71.08617	7.6
79.05492	25.3
81.07056	100.0
83.04994	2.1
83.08624	27.8
84.97465	2.1
85.06530	3.9
91.05468	20.7
93.07046	27.7
95.08607	83.5
97.06514	8.9
97.10189	21.4
99.08077	4.1
105.07056	13.4
107.08597	22.0
109.10163	45.6
111.08070	2.8
111.11701	5.2
113.09583	2.5
116.23454	1.9
119.08575	15.0
121.10146	27.0
123.11710	24.0
125.09619	3.2
129.05479	4.9
133.10133	17.7
135.11707	14.9
137.09630	2.7
137.13242	9.7
139.11058	2.0
147.11688	14.3
149.13234	16.3
151.14857	9.5
153.12793	2.5
161.13240	13.8
163.14818	14.5
165.12601	1.9
165.16399	9.9
169.44904	2.1
175.14850	13.8
179.17899	4.1
184.57718	1.8
189.16376	5.7
193.15945	2.7
245.22662	51.2
247.23962	2.1
263.23712	59.0
265.25226	2.1
311.79395	1.8
337.27371	39.9
355.28516	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60552	1.7
53.83670	1.6
54.12333	1.5
55.05520	26.0
57.03423	6.4
57.07084	16.0
65.03938	2.8
67.05508	70.4
69.06741	2.2
69.07076	32.1
70.09638	6.5
71.05035	1.6
71.08618	7.9
79.05499	21.3
81.07061	100.0
83.04948	2.5
83.08620	21.7
85.06540	2.9
85.10188	4.8
86.05875	1.8
91.05472	15.0
93.07043	26.7
95.08613	81.0
97.06520	10.0
97.10178	19.9
105.07034	13.1
107.08614	21.4
109.06517	2.2
109.10162	44.2
111.08091	6.0
111.11717	7.8
113.09691	2.2
119.08589	17.3
121.10146	30.6
123.08150	2.1
123.11714	32.2
125.09630	3.6
125.13226	2.6
127.11226	2.0
129.05435	1.8
133.10146	20.4
135.11687	18.7
137.09598	2.0
137.13283	16.6
141.12685	3.3
147.11685	12.4
149.13271	15.5
151.11230	2.4
151.14801	10.6
155.14272	2.0
161.13287	16.3
163.14819	13.3
165.12747	3.3
165.16408	11.9
167.14330	2.3
167.48271	1.6
175.14822	11.2
177.16403	3.7
179.14255	2.6
179.17932	5.9
181.15637	1.7
189.16397	8.0
203.17961	2.1
217.19432	3.1
245.22676	67.6
247.24280	2.5
263.23709	83.4
265.25183	1.9
337.27399	50.2
355.24686	5.7
355.28391	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	355.2633
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
51.68763	0.4
53.03939	1.6
53.65892	0.4
55.01869	1.0
55.05276	0.7
55.05516	9.2
56.15497	0.4
57.07080	5.4
65.03946	1.3
67.05510	22.7
69.03411	0.5
69.07075	23.1
69.15374	2.3
69.15803	2.1
71.08636	4.5
79.05497	6.0
81.03427	0.8
81.07063	32.8
82.07382	0.4
83.04958	0.5
83.08621	4.7
85.10170	1.5
91.05482	6.6
93.06481	0.7
93.07049	10.6
95.04969	1.0
95.08613	42.5
97.02898	1.9
97.10177	1.5
98.20726	1.0
103.05471	0.9
105.07040	10.4
107.04995	0.7
107.08600	9.2
109.02882	6.3
109.06509	1.1
109.10162	35.1
109.95590	0.5
111.11726	1.5
115.05457	0.7
117.07019	3.7
119.08595	7.0
121.06511	1.5
121.10155	5.3
123.11718	22.6
128.06206	0.9
129.06985	1.7
130.07703	0.4
131.08557	4.4
133.06511	1.0
133.10141	6.6
135.04480	0.8
135.07979	0.5
135.11723	3.1
137.13261	14.0
141.06990	1.0
142.07800	0.8
143.08586	5.1
144.09306	0.5
145.06468	1.5
145.10126	5.7
147.04390	1.1
147.08038	0.7
147.11705	5.3
149.05933	0.7
149.13310	1.1
149.62883	0.5
151.14777	1.2
153.07133	0.4
155.08554	1.0
157.10120	2.0
159.08032	1.1
159.11760	2.7
161.06013	1.2
161.09628	1.0
161.13260	1.6
163.07565	0.7
163.11153	0.5
163.14799	1.6
165.16394	11.8
168.09344	0.6
169.10155	1.0
171.08083	2.7
171.11691	1.4
173.09642	1.6
173.13287	1.8
175.14786	1.5
177.09142	0.5
181.10091	0.8
183.11673	0.7
185.13260	0.8
187.07555	2.2
187.11250	0.6
187.14801	0.7
189.09106	3.3
189.16417	0.8
191.10706	1.0
197.13268	1.1
201.12721	0.7
211.14685	0.6
213.41243	0.5
245.15395	0.6
271.17075	0.6
337.25455	0.8
355.26324	100.0
356.26703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	2.4
55.05515	49.1
57.03444	1.5
57.07073	2.2
65.03947	1.7
67.05510	14.9
69.03427	5.8
69.07070	19.8
69.53156	1.5
71.04985	3.2
79.05508	13.1
81.03416	12.2
81.07059	31.7
83.04959	1.9
83.08609	5.4
85.02895	2.0
85.06550	2.9
91.05468	23.7
93.06489	2.1
93.07052	29.0
95.04974	5.1
95.08615	21.4
97.02886	2.2
97.06544	14.8
97.10178	94.7
98.21528	3.7
99.04449	2.8
99.08099	2.0
102.04710	1.6
103.05499	1.9
105.03410	2.0
105.07038	45.1
107.04998	2.1
107.08614	25.2
109.02888	4.9
109.06520	4.8
109.10162	20.2
111.08104	3.1
115.05444	2.6
117.07027	5.5
119.04934	1.5
119.08587	26.0
119.09379	2.6
121.06503	2.4
121.10155	37.0
123.08062	1.6
123.11700	11.0
125.09630	17.9
127.03915	3.3
129.07030	2.1
130.04202	1.6
131.08562	11.7
133.10139	100.0
135.08092	2.8
135.10844	1.6
135.11716	10.5
137.05975	6.6
137.09608	6.4
137.13289	2.5
142.07825	3.0
143.08566	3.3
143.10675	27.8
145.02811	2.3
145.06520	1.6
145.10120	10.7
147.04448	2.0
147.11716	21.3
149.09644	2.6
149.13268	9.1
151.07561	2.6
151.11191	4.5
153.05551	2.7
153.12727	3.9
155.08530	1.8
157.10132	6.6
159.11707	14.7
161.13274	4.9
163.11116	2.4
163.14816	2.4
165.12807	6.0
167.07069	4.5
167.08409	1.7
167.10715	1.6
169.10237	2.3
171.10280	3.2
171.11668	4.1
173.05974	2.2
173.13272	6.4
175.07686	2.1
175.11205	14.7
175.14743	2.0
177.05502	4.4
177.12732	3.4
183.13818	1.7
185.13292	6.0
186.03128	1.9
187.14854	1.9
189.09213	1.6
189.11127	3.2
191.14307	3.0
193.04971	1.8
193.12260	4.3
193.15938	2.6
199.14890	3.5
201.05492	13.1
205.06506	2.6
206.07272	3.4
207.13805	1.8
209.15402	3.2
211.07500	1.7
220.05324	2.7
225.14844	2.5
229.14197	2.7
234.06844	3.9
235.07504	5.0
235.16997	3.5
239.06815	2.0
251.06923	3.0
255.21188	3.9
262.06354	4.5
263.07147	3.1
267.10037	2.1
271.20807	1.7
273.22162	8.3
279.06476	1.8
280.07391	2.1
281.07953	1.8
284.03253	2.3
289.21677	5.7
290.05698	2.2
295.09598	3.6
301.21722	14.0
305.07990	4.2
319.22839	3.7
319.26300	2.4
323.09113	3.9
323.12741	2.0
325.10699	2.9
327.12485	3.4
337.10651	7.1
340.02167	19.8
344.01602	3.3
355.04446	25.1
355.11514	19.6
355.15668	4.3
355.25098	2.3
356.11804	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.1
55.01861	4.7
55.05520	11.0
57.03437	4.9
57.07076	1.6
59.05008	1.4
65.03943	2.0
67.05510	30.2
69.03436	36.7
69.07079	18.0
69.67323	5.8
71.05001	9.2
79.05503	22.1
79.33691	1.1
81.03426	100.0
81.07063	84.3
83.04990	8.3
83.08625	7.1
85.02913	8.0
85.06550	7.2
91.05490	30.7
93.07055	16.9
95.04971	4.2
95.08062	2.0
95.08622	25.5
97.02908	13.9
97.06536	21.2
97.10159	4.1
99.04462	12.1
99.08107	4.2
101.06025	1.2
105.07040	46.1
107.04958	1.9
107.08601	18.9
109.02893	49.6
109.06522	6.1
109.10168	4.4
111.04436	2.2
111.08100	2.0
113.06030	1.7
117.07013	1.3
119.08591	34.4
121.10151	30.4
123.04512	1.2
123.08047	4.7
123.11719	32.2
125.09675	1.4
127.03929	43.6
127.07573	3.7
129.07008	4.1
131.08589	3.5
133.06541	1.7
133.10117	9.5
135.11691	4.1
137.05954	3.4
137.09622	2.0
137.13271	3.1
141.06927	1.1
141.09126	2.4
145.10168	3.5
147.11700	99.6
149.09618	3.2
149.13219	1.2
157.10156	8.7
159.11693	1.6
161.06003	1.8
165.12769	63.5
166.13034	2.1
167.07069	1.5
173.05992	1.5
175.11212	10.5
177.05568	1.2
183.13783	9.3
185.13316	2.1
189.07103	1.3
193.12294	17.0
195.13722	2.7
201.05463	4.6
211.13332	3.3
213.14909	1.2
215.17862	1.3
220.05206	1.4
229.14378	24.1
235.07504	1.7
241.08733	1.9
259.09695	2.5
263.06943	1.9
273.15009	1.5
277.08530	2.2
290.05615	1.2
291.15976	1.6
295.09653	3.2
305.08081	2.2
318.27301	1.1
319.26324	2.4
337.10614	4.2
337.16644	11.8
355.07770	2.0
355.11624	4.6
355.17435	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	11.9
55.01876	5.5
55.05527	17.1
57.03435	5.6
57.07091	2.4
67.05518	31.3
69.03094	2.8
69.03444	39.0
69.07087	18.6
69.94958	2.9
69.95350	6.6
71.01371	2.3
71.05011	9.9
72.50295	2.1
79.05511	25.8
81.03436	85.1
81.07074	83.7
83.04989	6.5
83.08640	9.6
85.02921	8.4
85.06549	5.7
91.05493	36.6
93.07063	24.9
95.04980	6.3
95.08632	27.3
97.02912	15.0
97.06554	33.2
97.10173	3.3
98.21455	2.1
99.04478	17.9
99.08128	5.1
105.03419	2.1
105.07053	42.9
107.04951	3.9
107.08611	22.4
109.02232	3.5
109.02911	42.9
109.06530	5.5
109.10188	4.9
111.08142	2.4
113.06024	2.0
115.29152	1.9
117.07043	4.3
119.08602	39.6
119.09389	3.8
121.10171	33.2
123.08115	4.9
123.11729	31.1
125.09640	2.4
127.03941	51.0
127.07584	5.0
129.07033	5.2
131.08592	9.4
133.10138	8.3
135.04431	2.0
135.11766	3.0
137.05995	4.4
137.09584	2.1
137.13304	4.8
139.11183	2.5
139.55441	2.0
141.07030	2.5
141.09079	2.4
142.34721	1.9
143.08548	2.5
145.06483	3.0
145.10146	6.8
147.08089	2.7
147.11717	100.0
149.09651	3.6
151.11198	2.5
157.10162	8.8
159.11731	2.9
165.12788	60.9
170.10747	2.1
173.06146	3.4
175.07420	2.3
175.11212	10.4
183.13855	10.7
183.41856	2.3
189.09157	2.4
193.12288	18.7
194.36186	2.0
201.05525	5.7
201.09091	2.2
211.13245	3.2
219.08043	2.2
229.14363	25.9
235.07614	2.6
241.08728	3.0
259.09744	4.0
335.10956	2.1
337.10529	3.9
337.16534	8.1
355.07809	6.9
355.11734	6.0
355.17422	27.4
355.26559	6.0
365.26041	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
55.05523	1.1
57.03443	6.2
59.05006	100.0
61.02950	1.0
67.05499	1.8
69.03427	3.1
69.07061	1.8
70.06580	2.8
70.09052	3.4
71.04993	1.6
72.08157	1.2
73.04754	1.3
79.05493	1.1
81.03426	2.1
81.07052	1.6
83.04986	1.5
84.08152	1.3
85.02921	7.7
86.09708	2.8
88.42940	0.8
91.05429	4.4
93.07047	2.1
95.04987	1.6
96.04507	0.9
97.02884	2.3
99.04472	0.9
99.08101	1.9
103.03970	1.5
103.05508	0.9
105.03388	1.0
105.07037	2.3
107.04948	3.1
107.08618	1.4
109.02877	1.9
109.06499	0.9
109.10243	0.9
111.04422	1.2
115.05476	1.1
117.07072	1.0
117.09145	28.7
119.04952	2.1
119.08588	2.3
121.02853	1.1
121.06510	2.0
121.10101	1.1
122.03657	1.3
123.08044	1.2
127.03864	2.0
131.04933	0.9
133.02856	5.6
133.06442	0.9
133.10144	2.7
135.04449	2.3
135.08104	1.2
135.10193	0.9
135.11659	1.1
136.07658	0.9
137.02345	1.0
137.05981	10.0
145.04982	1.6
147.04416	3.6
147.08102	1.0
149.06010	1.8
150.06676	1.0
151.03900	1.2
151.11143	1.1
158.03696	1.2
158.12614	1.2
161.06032	2.6
163.03944	5.3
163.07571	2.2
164.06989	1.2
165.05475	1.7
173.05917	2.1
175.03922	2.3
175.11165	1.3
175.13293	2.3
175.14694	1.9
177.05515	1.7
178.02643	3.3
179.07053	0.9
180.07870	1.1
181.04924	1.5
186.03116	1.2
189.05472	6.4
189.06912	1.3
191.03328	1.4
193.04987	37.6
193.06741	2.0
193.08604	1.1
193.12332	3.3
193.14352	25.1
193.15891	1.3
201.05484	20.3
203.07033	2.2
205.04973	31.3
205.06499	1.5
206.05702	2.4
207.07948	1.5
213.05479	1.0
217.04909	4.4
217.08546	1.1
219.02805	3.9
219.06490	0.8
220.05168	1.6
227.07028	1.8
229.04935	1.2
231.06502	7.3
233.06104	1.0
234.06764	1.9
235.06003	24.8
238.06235	0.9
243.06555	0.9
245.08150	3.3
249.05560	1.3
255.06549	1.5
259.06039	12.7
262.06342	0.9
263.07050	1.5
265.08640	0.9
266.05811	1.2
267.06570	1.2
271.06015	4.6
277.08597	1.5
281.04602	0.9
283.05954	4.7
289.07144	8.2
290.05692	1.5
293.08063	1.4
294.05261	1.9
296.06848	1.1
301.07074	6.3
305.08075	3.4
309.07397	2.0
319.08194	5.6
323.09116	1.9
325.11008	1.4
327.08667	5.8
337.09766	3.5
337.14075	1.4
355.04132	1.4
355.07999	3.1
355.11365	1.3
355.14456	1.2
355.18005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1545
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
50.91930	0.6
52.97492	0.6
55.01856	1.1
55.05521	0.8
59.58988	0.6
67.05509	1.1
69.03433	0.9
71.51933	0.7
78.04721	1.5
79.05508	3.1
79.26203	0.6
81.07072	1.5
85.02883	0.7
87.61097	0.5
91.05482	7.6
93.07026	1.3
95.04963	1.1
95.08640	1.4
97.06536	1.3
102.00236	0.6
103.05489	2.8
104.06268	0.8
104.77724	0.6
105.07043	8.1
106.04156	0.6
107.04989	4.0
107.08600	0.6
109.10178	0.9
115.05476	7.3
117.07034	7.2
118.04170	0.8
119.04961	0.9
119.08611	8.9
121.06506	0.7
123.04456	4.4
123.86324	0.6
124.05237	0.9
128.06226	2.9
129.07034	6.2
130.04239	1.0
131.04945	2.2
132.05721	5.9
133.02806	0.9
133.06516	7.5
133.10167	1.0
135.08084	0.7
135.11665	0.7
137.05972	2.2
141.07011	12.3
141.15808	0.6
143.04929	1.2
145.06503	2.4
145.10146	0.8
147.08069	20.0
147.09245	1.1
147.11630	0.9
151.03926	1.1
152.04692	1.2
153.05472	1.2
157.06488	1.9
158.07309	1.2
159.11801	0.7
160.05226	4.9
161.06007	10.5
165.05545	0.6
167.07068	54.4
168.07455	0.7
169.06526	19.6
170.07285	1.5
173.05972	1.2
173.09653	1.0
174.06749	0.6
175.07576	100.0
177.05495	1.0
181.08556	0.7
186.06754	2.3
187.07599	2.3
189.09117	3.1
191.07111	3.6
193.06874	1.4
193.08644	27.5
201.05440	5.5
201.09135	7.3
207.08162	0.7
220.05235	1.3
228.26363	0.7
231.07974	0.8
233.09428	0.7
234.06729	0.8
235.07582	2.2
247.07710	0.8
248.05006	0.8
259.07541	1.3
262.06216	1.1
263.07028	1.6
263.10690	1.1
265.08615	0.8
267.10031	0.7
276.07813	0.8
277.08517	0.8
279.10196	1.0
280.07379	1.0
291.10715	1.2
295.09607	1.6
295.13092	1.2
305.08411	1.0
307.09555	0.7
323.09180	1.5
323.12677	1.3
324.13739	0.9
327.12106	0.7
337.10669	3.2
355.08014	3.5
355.11804	3.4
355.15424	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	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24523	7.5
57.54134	8.1
62.38665	9.3
67.05500	13.7
69.69044	9.2
70.06576	11.2
70.63352	17.8
70.63723	20.6
79.05479	11.3
81.07074	23.0
82.07373	8.3
88.07642	17.6
88.09294	7.6
95.08596	16.5
109.71990	8.2
123.24966	9.8
154.18906	9.3
191.45677	9.5
223.13623	9.4
293.94647	9.2
336.28976	28.4
354.33588	100.0
377.64209	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	354.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.1
57.03439	8.7
57.07082	10.3
64.64162	9.2
65.65815	7.8
67.05212	10.1
67.05515	87.0
68.05828	30.9
69.07071	18.9
69.90366	16.5
69.90787	37.8
70.59739	9.7
73.79423	9.3
79.05501	48.0
80.05830	23.4
81.07059	100.0
82.07404	24.9
83.08654	8.6
91.05486	19.4
92.05846	11.7
93.07044	50.4
94.07387	16.3
95.08629	83.9
96.08937	26.8
98.21481	16.9
102.48211	8.2
105.07027	12.4
105.75207	10.1
106.07397	9.0
107.08615	26.5
108.08937	20.4
109.10184	10.2
110.10497	13.5
110.24603	9.2
121.10149	20.8
122.10499	19.1
123.11712	14.1
131.08557	15.2
132.08951	16.8
133.10211	10.4
135.11691	20.4
136.12025	10.1
145.10143	14.4
146.10442	13.7
149.13280	13.5
150.13646	15.1
159.11665	12.9
163.14926	11.9
164.15204	10.8
171.88907	9.9
174.13548	15.1
227.29999	9.8
244.21448	41.7
250.35110	8.4
261.22125	16.5
262.22443	87.0
299.32278	9.7
304.95679	9.4
336.26175	21.4
354.27090	26.9
354.33578	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	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
54.44456	0.6
55.05519	7.2
56.74459	0.7
57.03409	0.7
57.07080	8.2
57.31464	0.6
58.06604	14.5
58.22993	0.6
60.04520	1.5
67.05502	4.2
69.07070	11.4
70.02955	1.6
70.06598	3.8
71.04990	0.7
71.08630	5.0
71.98005	0.7
72.04529	1.5
74.06075	1.5
79.05517	1.7
81.07060	9.2
82.06593	0.9
83.04961	0.9
83.08627	7.1
84.08159	3.7
85.10191	2.0
86.06059	4.1
87.06808	1.3
88.07661	0.8
91.66311	0.7
93.07019	1.1
95.08616	10.6
97.10183	5.1
103.07594	1.2
109.10160	4.8
111.11741	2.3
115.21282	0.8
120.51048	0.8
121.10176	0.9
123.08051	1.0
123.11741	2.2
125.13269	1.0
137.13199	1.0
151.14749	1.1
151.69307	0.8
218.82782	0.8
268.30203	0.9
294.31625	2.0
306.31500	2.4
307.29727	1.6
308.33127	2.2
326.34189	1.9
336.32681	8.1
337.31241	1.0
354.33673	100.0
355.34006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1029
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.01855	0.4
57.03440	0.3
63.02389	0.7
69.03464	0.6
69.90250	0.4
69.90549	1.9
72.85435	0.4
73.04765	1.3
75.06320	0.4
78.94276	0.4
79.05502	1.7
81.07075	0.4
85.02903	0.7
87.04482	0.4
89.03930	7.3
91.05840	0.8
95.04964	0.7
98.21423	0.4
99.12067	0.3
107.04968	2.5
110.06037	0.7
117.03402	9.4
119.04932	0.4
121.02934	0.5
122.06069	0.8
131.04945	0.5
132.71912	0.3
135.04445	17.9
136.07581	2.0
137.06000	0.9
145.02879	12.4
145.03984	0.5
147.04414	0.4
160.08691	0.5
162.05479	0.5
163.03935	100.0
164.04285	0.7
164.07106	2.5
165.66948	0.5
174.06708	0.4
178.09799	1.1
182.08147	2.9
186.03085	0.4
186.06685	0.9
193.05055	0.9
201.05507	0.9
204.07663	2.6
284.10095	0.4
285.01117	0.6
285.11191	0.4
312.15555	0.5
320.12405	0.8
327.18549	0.4
337.09586	0.5
337.14038	0.6
338.13562	5.0
342.00125	0.4
355.16302	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	355.1025
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.19841	0.7
55.01872	1.4
55.05515	0.9
57.03419	2.9
59.05005	33.8
61.02922	1.0
63.62368	0.6
65.03928	1.2
67.01879	0.9
67.05498	1.2
68.20940	0.7
69.03426	1.9
69.07062	1.4
70.06587	1.6
71.50751	0.8
73.02906	0.9
73.04713	0.8
74.43431	0.7
75.08710	0.6
79.05499	1.4
81.03407	0.9
81.07030	1.6
81.54537	0.7
83.04961	1.7
84.08141	0.9
85.02904	7.6
86.09696	0.7
87.04459	0.8
91.05485	2.4
93.07034	2.4
95.04958	1.6
95.08605	1.7
96.44095	0.7
97.02885	2.4
99.08094	1.5
103.03937	4.8
105.07012	2.7
107.04964	2.0
107.08581	1.4
109.02892	1.9
109.10138	0.9
114.69450	0.7
117.06981	1.1
117.08394	1.0
117.09149	11.0
119.04926	1.7
119.08598	2.8
121.02868	0.8
121.10113	1.0
122.06029	0.7
123.04465	1.0
123.11719	0.7
124.07600	0.7
127.03922	1.2
131.08492	1.1
133.02837	2.5
133.06534	1.0
133.10088	2.2
135.04497	0.8
135.08089	1.9
135.15782	0.6
137.06015	4.4
140.11436	0.6
145.10065	0.7
147.04451	1.6
149.06030	0.8
149.13350	0.9
150.05450	1.0
151.03905	3.0
161.05962	4.0
162.06758	0.8
163.03917	4.9
163.07527	1.7
165.01794	1.1
167.03427	1.1
173.05936	1.4
175.03896	2.0
175.07561	0.7
175.14821	6.2
177.05415	2.1
178.02580	0.9
180.07881	1.0
181.04961	1.6
185.05965	0.8
186.03107	1.0
189.05475	16.5
189.06932	0.6
192.04089	1.0
193.04985	17.1
193.06718	1.0
193.12564	1.2
193.14346	7.6
193.15981	1.7
195.02855	0.9
201.05461	12.9
203.07024	7.4
205.04970	100.0
206.05649	6.9
213.05463	1.2
214.85562	0.7
215.07048	0.8
217.04976	15.1
217.08588	2.1
219.02875	2.0
219.06502	2.0
219.93105	0.7
220.05211	0.8
221.06105	0.7
227.07014	2.8
229.04907	3.9
230.05777	1.4
231.02852	2.9
231.06535	18.5
234.06786	1.2
235.06009	70.9
236.06425	1.1
243.06586	2.8
245.08125	9.6
255.06535	4.8
257.04489	1.0
259.06033	35.7
262.06284	1.0
263.06882	0.8
271.06024	11.7
273.07571	1.8
279.06351	1.0
283.05975	10.0
289.07071	20.5
293.08112	1.1
294.05334	1.2
295.06085	1.0
301.07126	15.8
301.10583	1.0
305.08163	2.0
307.09592	0.9
309.07803	1.1
319.08109	13.5
323.09393	1.0
325.10571	1.0
327.08704	3.4
337.09067	7.8
337.19894	1.0
355.10684	4.3
355.17584	1.0
376.51526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39505	2.7
55.01877	6.2
55.05502	7.9
56.05036	16.5
57.07050	3.2
60.04517	5.8
61.52935	2.4
62.25758	2.2
62.88427	2.5
65.03913	2.4
67.05518	28.2
68.05845	2.9
69.07073	13.5
70.06606	2.8
70.12891	6.5
71.08644	5.3
76.26774	2.2
79.05497	10.6
81.07069	21.7
83.04970	5.5
87.22669	2.3
91.05489	10.5
93.07059	13.6
94.06546	2.6
95.08614	14.7
96.08944	3.3
97.10175	2.1
98.13541	2.3
98.20827	3.1
105.07037	6.9
107.04928	2.7
107.08590	9.7
108.08176	2.4
109.06535	2.6
109.10171	22.2
111.08131	3.3
119.08571	7.5
121.10173	5.8
125.09615	4.9
133.10150	4.8
135.08022	3.0
135.11716	4.6
136.11229	5.7
137.09650	12.7
147.11668	2.2
148.92526	2.6
149.13292	2.5
154.12274	100.0
172.13329	53.3
172.14702	4.5
173.11815	2.6
184.81772	2.3
196.13359	40.7
196.65559	2.4
214.14470	14.9
218.32561	2.3
233.32825	2.3
259.20819	2.4
276.23346	6.1
277.14212	3.1
277.21552	19.3
294.24286	28.1
308.25769	3.1
318.24374	4.3
336.25330	9.7
354.07480	14.0
354.26440	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.05520	16.5
57.07064	7.7
61.62518	2.5
67.05512	25.6
69.07077	19.6
71.08627	21.7
71.52480	4.4
74.82225	2.4
79.05507	15.1
81.07059	42.5
83.08618	9.6
85.10157	2.6
91.05479	9.8
93.07057	21.5
95.04970	6.2
95.08604	29.6
97.06537	9.8
97.10184	3.0
99.08100	15.2
105.07030	13.3
107.08604	15.4
109.06519	22.3
109.10165	10.8
111.08085	3.1
112.77913	2.3
117.07017	2.9
119.08624	12.2
121.06507	6.5
121.10168	9.4
123.11704	7.7
131.08583	10.6
133.10120	12.0
135.04428	9.7
135.08075	7.8
135.11710	5.5
137.13292	3.9
139.11208	5.2
145.10083	4.9
147.11696	7.2
149.13246	4.4
151.07521	3.8
151.15030	2.7
152.69421	2.6
159.11676	4.8
161.13216	5.0
163.11198	4.7
163.14819	4.6
165.12752	50.1
175.14833	3.7
177.12773	5.4
180.82864	2.6
187.14836	3.1
191.14346	3.5
201.09096	5.5
209.18980	12.6
237.18497	4.5
252.07816	5.7
253.09079	2.9
261.18475	2.8
261.22159	9.7
279.19580	4.3
282.08908	4.1
283.09756	6.1
289.08725	3.1
289.25186	16.4
289.45581	2.8
293.02951	2.3
303.10117	2.7
304.10886	4.1
307.26495	5.2
317.24759	69.2
323.13034	2.6
335.12747	6.0
335.25821	100.0
344.49814	3.2
353.13882	5.6
353.29239	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	354.1187
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
54.22876	0.7
55.01870	1.5
55.05517	0.9
57.03444	0.8
58.81118	0.7
61.02931	0.8
65.03959	1.6
68.31469	0.7
69.03431	2.4
69.07085	2.2
70.06608	3.7
71.04992	1.9
71.51183	1.0
72.08149	1.2
73.02923	1.3
77.03940	1.1
83.04990	1.3
83.36294	0.7
84.08155	2.8
85.02914	5.5
85.08463	0.7
89.03932	0.8
91.05491	26.1
94.06590	1.7
97.02903	1.8
97.06544	1.2
98.97578	1.4
102.33333	0.8
103.05479	1.2
105.03407	1.6
107.04975	1.5
109.02843	0.9
111.08080	1.1
111.58690	0.9
115.07575	7.8
117.06956	1.0
118.06564	1.5
119.04958	36.3
121.02903	1.2
122.06035	1.0
124.07605	0.7
127.03931	3.0
129.09148	1.3
131.04898	0.8
132.02016	1.8
135.04437	3.0
145.02843	1.5
145.04880	1.0
146.06012	6.0
147.04424	32.3
148.04849	1.0
148.06039	1.5
149.02351	1.4
151.07527	1.2
157.03992	2.5
157.08646	4.3
160.05037	5.3
161.05992	1.8
163.03917	6.2
164.04619	1.1
164.07104	2.2
164.98662	0.9
173.05998	1.7
174.05525	35.0
175.03925	47.2
175.09633	4.6
176.04594	1.1
177.05513	5.1
179.07071	2.9
180.06580	1.4
185.05989	1.1
189.05472	1.7
191.07030	4.8
192.06410	18.9
193.05019	1.8
201.05469	1.9
201.09125	0.8
206.08031	1.3
207.06544	100.0
208.06831	1.6
208.09721	4.7
213.05539	3.5
217.04938	1.3
229.05000	1.4
241.80438	0.8
242.76421	0.8
243.06648	1.1
247.05994	1.6
259.06155	2.3
273.07401	1.1
283.09174	0.9
284.10190	0.7
309.02942	0.7
321.10602	0.9
336.10437	1.0
354.11810	42.5
355.12000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.9
57.03433	1.0
57.87014	0.5
61.83807	0.5
67.05508	0.7
69.07059	1.6
69.85161	2.7
70.06599	2.1
72.08149	0.7
79.05517	0.5
81.05736	0.5
81.37612	0.5
83.01316	0.5
85.02922	0.7
91.05479	1.0
95.04981	0.7
101.02402	1.5
105.03396	1.3
105.07031	0.7
107.04955	0.8
109.02927	0.7
112.39623	0.5
115.05444	0.7
115.07574	3.9
117.07027	2.3
119.01273	0.7
119.04982	0.8
121.02863	1.0
123.04443	1.8
128.06216	0.5
129.07069	0.9
133.06529	0.9
135.04482	0.9
135.08080	1.4
136.04893	0.7
137.02367	0.9
141.07014	0.9
145.06525	2.6
147.04462	1.0
149.06027	1.2
151.03934	1.2
151.07620	0.5
157.06572	1.1
157.08623	0.8
161.06030	2.8
162.09152	0.7
163.03949	2.1
163.07549	3.2
169.06552	1.0
171.08101	0.7
173.06007	7.1
175.03970	0.9
175.09732	2.8
177.05504	16.6
179.03398	0.7
179.07062	2.0
181.24911	0.5
185.06004	3.4
187.03983	1.1
187.07582	1.0
189.05486	8.2
190.06288	0.6
190.08669	1.8
191.07060	17.2
192.06604	0.7
193.04938	1.3
197.06081	1.8
199.03938	1.9
201.05499	6.6
201.09126	0.6
203.07100	0.9
205.05016	1.7
206.08118	3.8
207.06659	1.3
207.08955	5.4
208.09723	18.8
213.05495	11.2
215.07056	2.6
217.04970	4.0
219.06624	1.0
229.04994	5.8
229.08685	0.8
230.05824	1.5
231.06566	1.7
233.08299	0.9
234.07802	1.1
235.06041	0.6
239.03462	0.5
241.05042	3.7
242.05876	0.8
243.06560	3.3
245.08156	1.0
247.06102	5.6
250.10753	1.8
255.06592	0.7
257.04489	2.1
258.07620	0.5
259.06039	8.9
261.07718	2.5
262.07227	1.0
265.07245	1.2
272.09314	0.6
273.07550	6.3
274.04703	0.6
275.05478	0.8
276.08661	1.0
277.06857	0.7
278.10217	1.4
289.07129	4.1
294.09698	1.9
301.07303	1.0
307.08197	1.1
318.09723	1.0
336.10651	5.8
354.11887	100.0
355.12335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05523	12.0
55.87671	1.6
57.03443	3.2
57.07069	4.4
64.55044	1.5
65.03957	1.6
66.84132	1.7
67.05512	77.4
69.07088	12.1
70.40810	2.0
70.41134	4.1
71.05001	3.9
79.05502	37.5
81.07065	80.6
83.08621	7.7
85.06572	3.6
87.01358	1.7
91.05499	19.9
93.06492	2.7
93.07055	50.4
95.04968	3.3
95.08617	59.0
97.06550	2.9
98.20910	2.1
99.08109	2.3
105.07038	13.9
105.12515	1.6
107.08601	33.2
109.10162	34.4
117.06991	8.6
119.08581	12.9
121.10165	29.0
123.11725	17.5
125.09631	2.3
131.08588	22.0
133.10127	12.3
135.11716	24.8
137.09673	2.3
137.13251	5.8
141.20920	1.8
145.10161	12.9
147.11659	11.0
149.12363	1.9
149.13297	19.0
151.11189	2.4
151.14821	4.2
153.12753	2.8
159.11734	11.9
161.13272	8.7
163.14853	15.6
173.13268	13.2
175.14897	2.8
177.16415	4.7
187.14822	9.0
233.22673	3.0
237.68677	1.6
243.21152	21.9
254.49161	1.7
255.99336	1.5
261.22168	100.0
279.23260	4.1
335.25757	8.3
353.26923	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
53.85163	1.1
55.05515	9.1
57.03433	4.1
57.07071	5.3
60.33387	1.1
65.03917	1.7
66.52946	1.2
67.05511	75.9
69.06726	1.5
69.07072	14.8
69.62906	1.1
71.04992	3.5
71.08638	2.2
74.91197	1.1
77.03903	1.4
79.05500	43.8
81.07065	83.7
83.05000	1.7
83.08620	5.3
85.06563	2.5
91.05492	19.2
93.07055	55.3
95.04999	2.0
95.08616	63.1
97.06534	2.6
97.10184	3.7
98.21646	1.9
99.08101	1.9
105.07036	15.9
107.08603	37.8
109.10165	29.9
111.08064	2.2
111.11702	1.3
113.09651	1.6
117.07011	10.9
119.08591	16.0
121.09333	2.4
121.10156	31.4
123.08097	2.1
123.11730	18.8
125.09563	1.3
129.07103	1.2
131.08572	19.0
133.10147	13.1
135.04420	6.9
135.11708	26.1
137.09715	2.1
137.13287	8.5
139.11139	2.3
145.10139	14.8
147.11719	8.3
149.13269	22.1
151.07527	1.3
151.14787	1.7
153.12718	1.9
159.11699	14.7
161.13278	7.5
161.47565	1.2
163.11226	1.2
163.14850	13.8
165.12819	1.3
173.06009	1.7
173.13287	13.8
175.14841	4.0
177.12732	1.6
177.16385	4.3
179.14302	1.4
183.35712	1.2
187.14830	10.2
191.14360	1.7
201.09106	2.8
201.16440	3.4
205.16023	1.6
215.17964	1.5
231.10129	1.5
233.22647	4.2
243.21117	26.7
252.07889	1.8
261.22162	100.0
263.23782	2.1
279.23236	3.4
282.08878	2.8
283.09680	2.0
304.10928	2.6
335.12894	2.7
335.25922	8.0
353.13956	2.5
353.26898	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	2.3
55.01884	1.1
55.05513	14.4
57.03445	6.2
57.07076	4.7
57.98077	0.9
59.04982	1.1
64.16988	0.8
65.03931	3.1
67.05508	90.4
69.07070	13.8
71.04981	2.9
71.08628	1.9
75.04469	1.1
79.05497	37.4
81.07060	100.0
83.04990	1.4
83.08620	8.5
85.06546	2.6
91.05484	22.1
91.32890	0.8
93.07050	52.9
95.04983	2.8
95.08612	73.3
96.48942	0.8
97.06530	3.8
97.10155	4.3
99.08099	2.0
105.07048	15.7
107.08594	35.1
109.10164	39.0
111.08072	1.5
113.49006	0.8
115.05402	0.9
117.07024	8.4
119.08578	13.2
121.10153	28.3
123.08077	1.2
123.11724	19.4
131.08582	18.9
133.10146	12.3
135.04410	1.7
135.11703	22.5
135.12723	1.3
137.09645	1.9
137.13283	8.6
141.64442	0.9
145.10132	14.3
147.11697	10.9
149.09610	1.2
149.13264	17.9
151.07532	1.1
151.11179	1.7
151.14825	1.5
153.12721	1.5
159.11690	12.8
161.13258	8.2
163.11174	1.2
163.14841	12.2
164.23984	0.9
165.12825	1.6
167.40474	0.8
173.13292	13.3
175.14828	3.3
177.12813	1.4
177.16405	4.1
179.14322	2.1
185.87933	0.9
187.14822	8.9
191.14233	1.6
201.09087	1.2
201.16412	3.2
205.15898	2.2
215.18019	1.1
233.22609	2.6
243.21101	24.8
261.22153	83.8
263.23798	0.9
279.23141	4.7
303.75070	1.0
335.12845	1.4
335.25836	15.3
353.26843	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	1.9
55.05518	12.0
57.03433	6.5
57.07072	4.2
58.94264	1.8
64.64327	1.6
67.05513	97.4
69.07079	11.7
69.82324	7.7
71.05017	2.1
74.73778	1.8
79.05076	2.5
79.05502	40.5
79.30952	1.7
81.07063	100.0
83.08610	6.1
85.06568	2.6
86.52622	1.6
87.62488	1.5
91.05489	27.1
93.07056	53.0
95.04967	2.0
95.08618	78.1
97.06532	3.4
97.10185	2.6
100.19194	1.6
105.07043	16.3
107.08606	35.8
109.10168	39.0
110.87752	1.4
112.23175	1.6
113.09692	2.3
117.07013	7.8
119.08604	15.0
121.09322	2.6
121.10149	30.8
123.11716	19.3
131.08582	19.3
133.10158	11.7
135.11708	23.6
137.09602	2.4
137.13286	8.0
139.11055	1.6
145.10143	16.0
147.11711	12.8
149.13278	18.9
151.14828	2.3
159.11668	12.1
161.13300	8.0
163.14833	12.5
165.12799	1.7
173.13271	15.7
175.14861	3.6
177.16409	5.8
179.14322	2.4
187.14830	11.2
191.14429	1.8
201.16371	1.8
205.15848	1.9
215.17937	2.6
233.22665	4.1
243.21115	25.2
250.78601	1.7
261.22153	90.5
279.23203	5.9
279.60376	1.6
335.25830	14.5
353.26953	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	1.7
55.01872	1.3
55.05516	14.3
56.45440	0.7
57.03446	6.5
57.07081	4.6
57.14182	0.6
58.08234	0.6
62.14606	0.6
65.03950	2.5
67.05512	96.3
69.07072	11.7
71.04997	3.3
71.08662	1.7
75.04508	1.5
77.03953	0.8
79.05500	43.4
81.07066	100.0
83.04996	1.3
83.08636	6.6
85.06554	2.0
85.10211	0.7
91.05491	22.6
93.07053	54.9
93.88820	0.6
95.04980	1.9
95.08617	76.4
97.06552	2.8
97.10188	4.1
97.18429	0.6
99.08104	2.4
100.33814	0.7
105.04517	0.7
105.07043	17.3
107.08607	38.3
109.06555	1.5
109.10168	39.8
111.08123	1.6
111.11769	1.2
113.09660	1.2
117.07030	10.1
119.08596	15.6
121.10155	31.0
123.08077	1.5
123.11715	22.5
125.09640	1.3
127.11186	1.0
131.08580	20.4
131.48354	0.6
133.10149	12.3
135.04425	2.3
135.11699	26.5
137.09627	1.3
137.13281	8.2
139.11180	1.0
145.10132	14.6
147.11711	9.1
149.09615	1.0
149.13280	21.4
151.11191	1.4
151.14839	2.5
153.12814	1.3
159.11710	13.5
161.13275	10.4
163.14836	14.0
165.12732	1.8
171.11749	0.7
173.13277	18.3
175.14838	3.2
177.12775	0.9
177.16418	5.7
179.14378	1.8
187.14851	8.9
189.16454	1.1
191.14290	1.6
201.09158	0.8
201.16428	2.6
205.15901	1.9
215.17993	1.2
219.17418	0.9
223.16988	1.1
228.99020	0.8
231.10091	0.7
233.22649	4.4
243.21109	27.3
245.22731	0.8
261.22165	97.2
262.22562	1.5
263.23654	0.8
279.23236	5.8
282.08774	1.0
283.09488	0.9
317.24707	1.5
335.12680	0.7
335.25815	17.2
353.13834	1.4
353.26883	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94370	1.7
53.03944	2.7
54.30046	1.8
55.05269	1.6
55.05516	12.5
57.03421	2.0
57.07076	5.5
62.00123	1.7
65.03931	3.5
67.05510	82.5
68.75553	2.4
69.07070	8.9
71.04994	3.5
71.08637	2.6
75.38130	1.7
79.05496	40.4
79.05966	2.1
81.07064	82.3
83.08605	7.2
85.06525	2.5
91.05486	22.6
93.07053	55.5
95.08614	58.3
95.82157	1.6
97.06532	2.4
97.10174	4.4
98.21604	3.4
105.07043	15.2
107.08610	38.7
109.10169	36.3
109.10852	3.5
111.11729	2.4
114.06302	2.0
117.07013	6.9
119.08587	13.2
121.10157	35.0
123.08135	2.6
123.11718	21.9
131.08571	20.5
133.10153	12.8
135.11693	27.0
137.09613	2.7
137.13252	5.8
145.10141	16.9
147.11685	11.3
149.13293	24.5
151.11232	2.1
151.14854	2.3
153.12741	2.8
159.11720	15.5
161.13278	11.1
163.14861	13.6
173.13268	14.3
175.14861	4.9
177.16405	4.8
179.14278	2.7
187.14772	9.3
201.16344	3.4
215.17970	2.6
233.22714	3.1
243.21109	24.2
261.22159	100.0
279.23239	2.7
335.25708	9.2
353.26889	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.2
57.03424	3.2
57.07079	4.7
67.05508	23.2
68.05835	2.9
69.03440	3.6
69.07088	20.5
70.42256	3.7
70.42587	7.6
71.05003	25.6
72.82410	3.1
79.05493	23.6
80.05032	4.1
81.07065	34.0
83.05006	4.0
83.08617	4.9
85.06555	6.7
91.05486	27.2
93.07052	32.3
95.04982	42.4
95.08612	26.8
97.06557	9.4
97.10184	4.5
105.07036	49.6
107.05008	3.1
107.08594	30.9
109.06540	10.6
109.08395	3.1
109.10167	17.3
111.08107	6.8
115.05500	4.9
117.07044	13.2
119.08587	43.8
121.06509	5.2
121.10162	24.0
123.08095	9.6
123.11700	13.7
125.09682	4.3
127.12686	3.3
128.06192	8.4
129.07034	9.3
129.69234	3.4
130.07733	5.9
131.08566	28.9
133.10150	35.3
135.04433	29.6
135.08047	31.3
135.11703	23.0
137.09671	3.5
141.07008	4.1
142.07780	10.3
143.08582	24.5
145.06535	3.4
145.10123	27.8
147.04457	3.9
147.08069	8.6
147.11703	9.9
149.09647	12.0
149.13271	4.5
151.07495	7.9
151.11261	5.4
155.08572	11.0
156.09412	7.2
157.06490	5.9
157.10153	39.4
159.08076	6.3
159.11728	20.5
161.09634	51.2
161.13246	7.7
163.11156	6.4
167.08496	4.1
169.10153	13.8
170.10953	3.9
171.11729	17.4
173.05887	2.9
173.09676	7.6
173.13287	14.2
175.11125	4.0
175.14902	4.4
177.00072	4.6
179.08545	3.7
181.10156	5.9
182.10960	5.1
183.11728	6.2
185.13341	11.5
187.11185	5.4
187.14793	8.0
191.14310	4.2
195.01115	4.4
195.11765	8.7
197.13251	18.9
199.15126	4.3
201.09161	9.4
201.16505	3.4
205.14314	3.8
206.11096	4.1
207.11746	3.9
209.13286	5.2
211.14902	4.9
213.12752	14.2
213.16460	4.1
215.14297	23.9
223.15102	9.2
231.10074	6.7
237.16492	5.8
252.07831	6.2
258.19415	4.4
265.19534	5.6
268.07230	5.7
269.19104	3.5
275.19913	5.9
276.20407	12.0
277.12027	3.8
277.19492	4.5
282.08853	9.1
283.09750	10.5
284.25522	3.3
289.08582	8.7
293.22882	26.5
295.20554	11.6
296.07581	3.8
297.07538	5.8
304.11050	6.7
305.11877	5.0
311.23734	5.1
320.10425	4.2
323.12762	4.3
335.12817	15.3
335.23676	23.1
353.06705	6.1
353.13788	14.3
353.24893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03956	5.5
55.05508	12.2
57.03439	4.8
57.07072	5.6
65.03941	3.0
67.05508	86.7
69.07063	12.7
70.95934	3.2
70.96281	2.8
71.04972	2.4
71.08627	4.3
79.05117	1.6
79.05496	57.8
81.07060	86.1
83.08623	9.5
84.85349	2.1
85.06542	4.0
91.05492	31.6
93.07048	66.6
95.04989	2.3
95.08612	73.7
95.43820	2.3
97.06545	5.5
97.10160	3.8
99.08066	3.9
105.07028	23.7
107.08601	50.5
108.08910	2.5
109.06557	2.3
109.10168	28.9
113.09644	2.5
114.70690	2.2
117.07028	7.7
119.08596	17.5
121.10168	30.2
123.11708	13.5
129.06969	3.3
131.08586	27.5
133.10147	14.0
135.04434	16.6
135.11717	32.5
137.13274	9.5
139.11151	2.9
145.10143	17.5
147.11725	13.4
149.09569	2.7
149.13245	25.0
151.07533	7.2
151.11252	2.7
151.14757	2.4
153.12741	2.8
159.11682	15.1
161.13260	11.3
163.02094	2.3
163.11217	2.6
163.14848	17.2
173.13271	17.6
175.14859	6.4
177.12810	3.4
177.16449	5.0
187.14880	12.7
191.14384	4.0
201.09178	6.6
201.16325	3.8
203.10707	3.0
215.35091	2.5
231.10265	2.3
233.22633	6.5
243.21135	42.3
252.07869	4.3
261.08969	3.7
261.22162	100.0
263.23349	2.9
268.07178	3.2
282.08923	7.2
283.09708	6.5
287.72192	2.2
304.10995	3.8
305.11530	2.9
318.13644	2.6
323.12592	2.9
335.12732	8.2
335.25739	12.2
353.13797	4.1
353.26767	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	353.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.7
57.07076	5.0
59.04986	4.2
67.05517	7.3
68.97378	1.1
69.03418	6.3
69.07079	18.6
69.47278	5.6
69.47683	2.8
69.63526	1.2
70.00365	1.2
70.06604	1.7
71.05002	11.0
75.20010	1.2
79.05506	2.3
81.03410	2.6
81.07059	12.2
83.08649	1.6
84.08192	1.9
85.02924	6.9
85.06550	6.1
85.10197	4.2
86.09743	1.3
89.06048	10.6
91.05505	2.6
93.07043	3.1
95.04943	2.0
95.08619	68.5
97.02905	3.1
97.06529	2.2
97.10181	17.9
98.20786	2.0
99.08104	12.0
99.78654	1.2
105.01829	1.9
105.07040	3.3
107.08589	5.4
108.65628	1.1
109.02917	1.6
109.06516	1.4
109.10162	2.6
111.11726	9.7
113.09656	100.0
117.31927	1.3
119.08589	3.2
121.10139	2.2
127.03910	3.7
131.08568	1.5
133.10144	4.2
135.04431	8.9
135.08075	2.6
135.11681	1.5
137.05902	1.7
137.13268	21.2
145.02853	2.5
145.04993	1.7
145.10149	1.4
147.08076	2.2
147.11769	1.6
149.05911	1.4
149.09641	3.1
151.07567	3.4
155.14314	13.1
165.09120	1.7
167.07117	2.2
173.13319	2.7
173.15396	63.1
175.14766	1.4
177.05513	5.9
179.07129	2.0
185.05956	1.5
187.07718	1.4
189.09108	1.4
191.08363	2.2
191.14348	8.0
191.16440	42.4
192.16774	1.3
201.09123	5.3
219.07986	2.8
231.10281	1.7
247.07639	3.1
250.06523	1.6
252.07756	2.0
262.09964	1.3
263.06912	1.8
265.08490	2.4
278.05487	1.5
282.09000	3.4
283.09567	3.0
289.09015	2.2
293.08112	2.5
303.05072	2.7
303.10132	1.5
304.11057	2.1
305.11685	1.6
323.12735	2.1
325.10361	1.9
335.12784	5.1
353.10052	3.4
353.13928	4.2
353.19699	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06009	0.8
55.01862	1.5
55.05499	4.5
57.03420	1.1
57.07079	4.7
59.04976	2.0
67.05502	4.8
69.03416	3.6
69.06731	1.3
69.07069	13.3
70.86806	1.8
71.04994	9.6
72.08152	1.2
78.74954	0.9
79.05493	1.8
81.03417	1.6
81.07053	9.4
83.08618	2.2
85.02917	5.6
85.06543	2.4
85.10180	3.0
89.06036	8.6
91.05476	1.8
93.07050	2.7
95.04946	2.3
95.08612	66.8
97.02873	1.5
97.10168	17.4
98.90744	0.9
99.08109	10.8
105.07043	1.4
107.08581	2.5
109.02883	1.7
109.10152	2.5
111.11718	7.8
113.09650	100.0
119.08588	1.9
121.54039	0.9
131.08588	2.6
133.10092	1.3
135.04416	8.8
135.08124	1.3
137.12225	1.2
137.13264	22.4
144.06532	2.8
145.02802	1.2
149.06009	1.2
150.05458	1.2
151.07562	3.7
155.14307	12.0
161.09698	1.1
165.09181	1.1
173.05954	2.2
173.15378	62.0
175.07503	2.6
177.05429	2.2
185.06178	1.1
188.08301	1.9
191.14386	4.7
191.16422	35.4
201.09106	6.3
211.07561	1.5
219.08128	1.3
229.08592	1.2
231.10210	2.2
245.07982	1.1
247.07480	1.4
252.07788	1.9
268.07169	1.0
271.09573	1.2
278.05826	1.2
282.08862	3.3
283.09683	4.2
303.10129	1.2
304.10956	1.4
305.11557	1.9
317.06619	1.5
317.10260	1.0
321.07642	1.4
323.12729	1.8
335.12811	4.7
353.10086	2.7
353.14066	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0849
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
61.63728	2.3
62.89090	1.7
69.63029	11.1
69.63346	1.8
76.78528	1.7
95.26000	1.8
100.07653	3.5
119.06046	1.6
146.07127	1.8
146.08165	7.1
146.45340	1.7
155.50363	1.5
158.72438	1.6
212.20471	1.8
234.67635	1.7
245.05133	2.6
353.08545	100.0
354.08749	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76736	0.7
51.64464	0.7
55.01871	2.0
55.38162	0.8
57.03433	1.7
60.89655	0.6
67.05511	2.5
69.03432	1.2
69.07071	7.2
69.82039	3.3
79.05501	9.3
81.07047	1.4
95.04975	0.9
95.08617	0.9
97.06539	100.0
99.69852	0.6
101.41399	0.6
102.25420	0.7
103.05518	0.7
105.07087	1.0
107.08633	0.8
115.27132	0.8
119.04963	0.9
121.10184	0.7
123.04450	9.7
131.04924	2.2
135.04420	1.5
137.87994	0.6
145.06506	1.1
147.04393	3.4
149.02328	0.8
149.06000	1.5
151.07491	0.6
159.04468	1.3
163.04042	0.8
165.05495	3.7
167.07169	1.0
172.28731	0.8
173.06067	0.9
175.03941	3.4
175.07581	3.0
176.04770	0.7
177.05502	14.8
177.07083	0.8
187.03976	3.9
188.04164	0.7
189.05501	1.3
191.03479	1.5
191.07068	0.8
193.04962	5.0
199.07510	0.8
201.09157	2.6
203.03384	11.1
217.08629	1.3
219.02844	0.8
219.10178	19.9
221.04541	2.1
229.08620	4.6
231.02916	10.7
231.10338	0.8
232.03337	2.1
245.08127	14.9
249.04153	1.1
258.04871	1.2
261.11288	3.6
263.09161	1.7
267.17859	0.7
271.09735	1.3
273.07730	5.5
273.10852	4.4
274.07974	2.6
275.09073	1.0
282.08752	0.8
283.09744	1.0
289.10736	79.0
290.11182	0.8
299.09229	1.5
300.09412	1.2
304.10858	0.7
307.11948	2.2
317.10226	15.1
318.10684	2.0
335.11276	18.5
353.10123	1.0
353.13980	1.6
365.40128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89231	2.3
53.03956	6.3
55.01867	12.6
55.05511	16.0
57.03433	11.1
57.07087	15.4
59.04995	3.3
61.02909	2.4
61.29496	2.4
65.03942	2.8
67.05511	24.5
69.03085	4.2
69.03435	57.4
69.06741	2.8
69.07076	33.9
69.13353	26.9
70.06590	4.3
70.48524	2.9
71.01344	3.1
71.05002	12.3
72.08141	2.5
73.02895	3.5
79.05504	23.6
81.03418	10.6
81.07060	70.8
83.04990	13.3
83.08622	20.3
85.02913	21.9
85.06535	11.1
87.04439	4.5
90.15668	2.4
91.05482	23.3
93.07056	39.3
95.04967	19.1
95.08617	73.7
97.02901	19.1
97.06498	12.7
99.04462	9.6
99.08102	3.7
101.06030	3.2
105.07050	27.1
107.04951	3.1
107.08607	66.2
109.02893	4.8
109.06527	26.7
109.10162	42.1
110.10500	6.5
111.04467	9.9
111.08080	17.9
113.06030	4.8
113.09649	9.6
115.03957	15.5
117.03403	4.9
117.06990	4.7
119.04977	4.0
119.08582	30.1
121.06562	16.2
121.10149	64.2
123.04435	3.4
123.08092	31.4
123.11721	77.8
125.06011	7.0
125.09640	7.9
127.03922	12.8
127.07599	3.2
129.09119	3.9
131.08588	23.5
133.10146	21.0
135.04436	6.3
135.08058	23.4
135.11716	32.2
137.05978	18.7
137.09653	13.9
137.13243	8.2
139.07622	5.4
143.08586	3.9
145.02859	11.5
145.04955	6.5
145.06505	3.9
145.10182	13.3
146.05991	4.0
146.10973	2.6
147.04408	3.2
147.08041	9.9
147.11694	11.9
148.05998	3.4
149.06013	2.9
149.09657	7.6
149.13266	47.2
151.07524	8.6
151.11226	4.8
153.09132	8.7
155.06987	5.8
155.10696	6.3
155.14346	3.1
156.11003	4.6
159.09138	4.2
161.13272	11.7
163.07503	4.8
163.11201	9.9
163.14836	22.4
163.44814	2.7
165.09183	3.3
167.07019	6.4
167.10722	2.7
167.14340	9.1
171.10156	4.5
171.11678	3.0
173.09666	5.3
173.11777	6.6
173.13278	20.4
173.15378	3.1
174.12088	12.0
175.14803	9.2
177.05484	20.4
177.12733	2.8
179.14270	21.1
181.08714	6.8
185.13176	2.8
188.07094	2.7
189.09227	3.5
189.12764	7.4
191.10699	7.8
191.14334	31.9
203.14395	3.9
207.13817	4.1
209.15382	22.4
221.15393	3.6
249.15059	3.0
267.15872	2.6
282.08594	3.2
307.12729	4.0
335.12579	6.0
335.18713	8.6
353.10129	7.1
353.19629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48820	12.2
51.03161	10.8
55.05500	40.6
56.92779	11.5
57.03427	14.2
67.05494	53.9
69.07069	18.6
71.52458	16.8
72.85130	11.7
79.05483	31.1
81.07050	40.6
88.00947	13.1
91.05475	41.4
93.07041	43.3
94.07355	13.3
95.08629	16.7
99.08113	13.7
105.07043	31.5
107.08582	34.2
109.10133	15.2
117.07049	17.3
119.08554	36.9
121.10181	15.0
125.64802	12.5
133.10164	17.9
145.10130	15.2
147.11653	18.1
159.08072	24.4
161.13316	12.2
260.20883	32.3
271.17020	27.7
275.20081	26.0
277.19589	11.8
278.21875	12.1
289.17944	88.0
290.08810	11.7
292.22632	69.5
306.42014	11.9
334.23703	14.4
352.25250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78934	3.2
55.05510	10.4
57.07086	54.0
59.05013	17.7
67.05508	8.6
69.07066	7.6
71.08641	100.0
71.52642	5.8
72.08140	4.4
79.05519	7.6
81.07059	12.9
83.05005	4.4
83.08617	4.5
85.10191	57.2
89.06041	49.5
91.05485	5.5
91.75970	3.2
93.07079	5.7
95.08620	9.0
95.71567	3.0
105.07065	6.0
107.08598	8.2
107.80946	3.7
109.10149	4.8
117.06934	3.1
121.10136	3.5
127.14864	7.3
133.08623	34.2
135.04495	18.5
137.09621	5.3
143.13705	3.4
151.07521	5.8
151.09660	15.5
154.12263	3.8
168.13867	7.3
177.11267	5.7
185.19026	10.4
186.14981	5.0
195.12296	46.7
201.09093	8.2
212.12930	6.4
239.06850	3.6
252.07921	4.6
268.07309	4.5
275.20261	5.3
283.09671	5.0
293.21140	9.9
295.09912	5.6
304.10861	4.1
310.23679	5.9
335.12906	7.6
335.28003	27.9
352.25235	7.0
352.32129	5.6
353.13821	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	352.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01862	2.6
55.05514	10.4
56.05033	4.2
57.07082	1.9
58.06590	2.6
59.98920	1.3
60.04542	8.4
60.74940	1.5
65.03906	1.4
67.05190	2.5
67.05517	25.3
69.03414	2.0
69.07080	21.8
70.06602	2.9
71.04990	2.7
71.52496	1.6
79.05077	1.8
79.05505	21.1
80.04620	2.5
80.05028	19.2
81.07073	18.7
82.06583	2.6
83.05003	2.2
83.08617	4.5
84.08141	4.4
85.06537	2.8
90.00645	1.4
91.05486	18.5
93.05793	1.5
93.07051	17.5
94.06574	13.5
95.04974	6.6
95.07382	2.4
95.08617	12.9
97.06514	4.9
97.10181	2.4
105.07052	20.5
106.06580	2.6
106.07345	1.9
107.08606	18.7
108.08138	5.2
109.06533	2.8
109.10175	7.8
117.07001	4.3
119.08621	14.2
120.08141	3.1
121.10175	9.9
123.08064	1.8
123.11681	3.0
125.09651	3.7
129.07045	2.4
131.08572	4.3
133.10150	11.5
134.09630	2.6
135.04440	7.8
135.08113	2.1
135.11729	4.7
136.04701	1.5
136.11232	2.0
137.09659	3.0
143.08514	2.6
145.10156	8.5
145.16005	1.4
147.11732	8.9
148.11156	1.9
149.09624	3.0
151.07597	2.6
152.14224	1.6
157.10161	2.9
159.11702	4.9
161.09596	1.6
161.13348	3.6
163.11206	3.3
171.11708	2.0
176.14398	2.1
177.12750	2.9
192.13870	3.0
197.13312	2.1
201.09016	2.4
203.10675	1.8
204.13857	18.3
206.15579	3.5
210.14960	3.6
213.65623	1.7
222.14934	24.1
223.15627	3.8
224.16490	3.6
239.06920	1.6
257.19083	10.3
272.20160	3.2
274.21640	17.9
275.20105	33.1
275.22815	2.8
278.21942	2.6
290.21109	8.1
292.22751	67.1
293.21039	4.7
316.22763	4.6
334.23859	16.9
335.12607	3.1
352.24976	100.0
353.25009	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	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79897	1.1
53.03939	1.5
55.01868	3.5
55.05513	11.8
56.05035	6.9
57.03426	1.7
57.07080	1.5
58.06593	4.6
60.04536	14.4
65.03925	1.4
67.05184	2.2
67.05514	30.8
68.05029	1.5
68.05829	1.8
69.03410	2.5
69.06732	1.9
69.07074	26.0
70.06585	3.3
70.12640	5.3
71.04987	1.4
71.08640	2.3
79.05501	20.7
80.05026	21.2
81.03423	1.8
81.05823	1.5
81.07066	24.0
82.06583	2.6
82.07366	1.2
83.04985	3.3
83.08620	7.7
84.04472	1.4
84.08141	2.5
91.05486	17.4
92.05018	1.8
93.05813	2.2
93.07056	17.3
94.06567	12.5
94.07414	1.5
95.04977	5.5
95.07416	1.4
95.08614	16.5
96.08150	1.8
96.08936	1.3
97.06529	3.9
97.10181	4.7
98.06096	1.4
98.09710	1.4
98.21449	1.8
100.07602	2.1
100.91243	1.3
105.07041	25.8
106.06561	3.6
107.04973	2.6
107.07420	1.3
107.08616	20.9
108.08133	5.9
109.06545	2.9
109.10168	12.9
111.08076	2.2
117.07031	5.9
119.08581	15.6
120.08082	1.8
121.06537	1.2
121.10162	10.5
122.09654	1.7
122.67163	1.3
123.11701	2.4
125.09629	2.6
131.08562	8.9
133.10150	16.7
134.09633	3.3
135.11705	4.6
136.11234	3.2
137.09612	4.2
142.23631	1.1
143.08583	1.4
145.10127	7.3
147.11693	10.2
148.11171	2.3
149.09621	3.5
150.12836	1.2
151.11153	1.5
153.65337	1.3
154.12289	17.0
157.10133	2.4
159.11713	7.2
161.09636	1.2
161.13290	4.4
163.11201	3.5
168.13831	1.2
171.11739	3.0
172.13335	11.7
173.11798	1.9
173.13275	3.0
176.14365	2.8
177.12775	4.4
179.14307	1.7
189.11240	2.5
192.13802	1.8
196.13330	7.5
204.13870	17.9
206.15462	3.8
207.13766	1.5
210.15018	3.1
214.14438	1.8
222.14909	28.0
223.15646	3.8
224.16460	3.9
229.19592	2.4
235.10591	1.4
236.16374	2.3
239.17905	3.0
248.16570	1.6
257.19043	11.1
272.20004	2.5
274.21692	15.0
275.20087	41.0
278.21967	3.6
290.21146	4.9
292.22739	88.2
293.21133	5.7
310.24078	1.5
316.22754	4.5
324.46225	1.2
326.87515	1.1
334.23788	18.5
352.24908	100.0
353.25116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1606
Annotation	cis-Zeatin riboside
Peak:m/z	Relative Intensity
55.05511	0.9
56.05043	0.5
56.07201	0.5
56.96560	0.6
57.03442	2.3
57.07068	1.7
59.04992	2.1
60.09026	0.4
61.02922	1.0
67.05498	1.5
69.03436	6.0
69.07054	2.0
70.02936	2.1
70.06584	1.3
70.24203	2.1
71.04967	0.8
72.04523	5.8
72.08143	2.1
73.02910	2.4
73.06548	0.7
80.95923	0.5
81.03412	2.7
82.06562	0.9
83.04971	0.8
84.08124	1.0
85.02911	9.1
85.06547	4.8
86.09696	1.0
87.04471	3.5
87.08115	1.0
90.05560	49.2
90.78162	0.4
91.03974	0.4
91.05483	1.0
93.81335	0.5
94.06524	0.7
95.04964	3.3
96.08112	0.8
97.02907	4.5
97.05079	0.4
98.02428	6.6
98.21396	0.7
98.97568	1.0
100.03971	1.3
100.07627	2.4
101.00901	2.6
102.00969	1.0
103.00617	0.9
103.03954	0.6
103.07591	3.2
107.04955	1.0
109.02869	3.9
113.00858	0.6
113.05987	1.3
115.03928	1.8
116.02676	0.7
116.03465	7.8
118.08691	0.8
119.01936	2.8
119.04938	1.9
120.02002	1.5
120.08102	0.9
121.01662	1.0
121.02946	0.6
124.07590	6.9
127.02414	0.7
127.03954	2.4
128.02629	0.6
128.07146	0.6
130.08623	1.1
131.01939	1.3
131.07085	0.7
132.01981	0.6
133.03473	0.9
133.04977	2.1
134.03568	0.8
136.07568	0.6
142.08638	3.8
143.01894	1.7
143.11806	0.7
144.02045	0.9
145.03528	2.5
145.04951	0.9
146.03589	1.2
146.08092	2.2
147.03189	1.2
147.04341	5.6
148.04787	1.0
155.01915	1.3
156.02060	1.5
157.03433	1.2
158.03638	1.4
159.03296	0.9
160.09715	1.8
160.42195	0.5
161.02974	1.9
162.03085	1.0
163.03912	0.7
166.08629	0.9
167.01971	1.1
169.03513	1.3
172.09792	0.6
173.02931	1.1
174.03102	1.3
174.11301	0.8
177.82648	0.5
184.08182	0.8
184.09714	11.5
185.02979	7.6
186.03201	1.0
187.04581	0.7
189.03978	0.5
190.02661	0.6
190.06061	0.5
190.10715	1.1
200.04742	0.5
202.02730	0.6
202.10753	17.2
203.03979	1.9
204.04179	0.8
220.11815	100.0
221.05135	1.0
221.12115	0.7
221.52669	0.5
227.04060	1.1
231.07224	0.7
232.03708	1.0
235.04567	1.0
235.06734	1.1
236.06766	1.4
237.06342	0.8
241.03656	0.5
245.05014	1.7
248.04836	0.7
248.07628	0.5
251.04164	0.9
253.05463	0.9
253.07790	1.0
254.07806	1.3
262.08664	0.5
266.05829	1.1
275.06381	0.6
280.09506	1.1
290.08066	2.2
292.09421	1.2
293.04907	0.5
296.72720	0.5
308.09058	0.9
311.06177	0.9
322.09039	1.7
334.06979	1.7
335.05951	1.1
349.09897	1.2
352.07068	4.5
352.11426	1.0
353.07877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05505	2.0
57.03439	0.8
57.07081	24.4
59.05008	4.4
61.85350	0.6
67.84654	0.7
69.03448	1.5
69.07075	6.4
70.19049	2.4
71.05001	1.5
79.05492	1.3
81.03410	1.0
81.07073	4.1
83.08633	0.9
85.02920	5.7
91.05511	1.3
95.08622	4.0
97.02884	2.1
97.06538	10.9
97.10168	2.3
105.07028	0.8
107.04937	1.1
107.08620	1.0
109.02903	0.9
109.10177	1.1
110.07163	1.0
110.88313	0.7
111.11726	2.5
121.52760	0.7
127.03945	1.3
131.04956	1.3
133.10126	0.9
137.02434	0.7
137.05969	1.2
137.13277	16.2
147.04399	1.1
155.14323	100.0
156.07678	1.5
156.14656	1.5
159.04443	1.3
165.05440	0.9
173.15392	31.0
176.04344	0.7
177.05481	2.0
187.03842	1.0
199.07523	1.5
201.09108	1.6
202.05850	0.7
202.07741	0.8
203.03476	2.1
219.10237	2.7
227.07150	0.7
229.08571	1.1
231.02872	4.5
242.09013	1.8
243.10184	0.7
245.08124	2.5
249.08940	0.9
257.04541	0.8
273.07596	7.6
276.07816	1.0
277.08289	1.0
288.09607	0.8
289.10846	8.1
291.10013	1.0
299.09424	1.2
305.08066	0.6
307.09848	0.7
317.10260	2.5
321.11285	1.5
335.11700	1.2
336.35333	0.9
337.10681	2.1
352.12894	6.3
353.13751	2.1
370.42157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98468	0.3
57.03442	0.9
61.02924	0.6
65.03958	0.6
67.05517	6.8
69.03439	0.8
70.06600	0.4
71.04972	0.6
71.51720	0.5
85.02915	3.4
85.06557	0.7
95.04982	9.0
95.08646	0.4
97.02903	0.8
99.08113	0.6
109.02888	0.3
113.06021	3.5
117.06954	0.3
127.03951	0.7
127.07559	0.7
132.73483	0.4
135.04453	0.7
141.05487	100.0
142.05847	0.6
145.04977	0.5
147.04449	0.5
147.25545	0.3
151.07620	0.4
153.87390	0.3
155.07069	9.5
155.10619	0.4
159.06566	2.5
161.05997	0.5
162.06387	0.6
173.05911	0.4
173.08125	10.1
175.03912	0.6
175.07544	0.4
180.08691	1.3
182.08136	0.7
187.07550	1.1
188.07965	2.1
190.09457	0.9
200.08037	0.5
201.09190	0.4
204.07480	0.5
205.08592	0.6
206.09000	0.7
211.07565	0.4
218.08986	1.5
229.08618	0.6
230.04555	1.2
242.08946	0.6
246.08647	0.4
260.10086	0.8
270.08566	0.5
288.09506	1.9
299.09195	0.3
306.10742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06262	0.3
57.03426	0.8
61.02923	0.4
64.82922	0.3
65.03958	0.7
67.05189	0.4
67.05515	6.8
69.03429	1.1
70.97282	0.7
71.05006	0.5
81.03387	0.3
85.02914	3.6
85.06542	0.7
91.03969	0.5
95.04980	7.8
95.08606	0.4
97.02872	1.3
105.07002	0.3
113.06025	3.3
113.11366	0.3
117.06907	0.3
127.07567	0.9
127.11217	0.3
128.76021	0.3
130.90643	0.3
135.04387	0.3
141.05481	100.0
141.77678	0.4
142.05803	0.7
145.04958	0.7
155.07062	10.1
155.08273	0.7
155.10657	0.5
159.06529	2.4
161.05919	0.6
162.06349	0.9
162.07593	0.5
173.05888	0.5
173.08112	10.5
173.09505	0.7
175.03931	0.5
176.04286	0.4
180.08699	0.5
182.08148	0.5
187.07549	0.9
188.07915	1.7
190.09448	0.5
196.08459	0.3
200.07936	0.4
202.09489	0.5
206.09000	0.6
214.05865	0.4
214.09377	0.4
217.08704	0.5
218.08942	1.5
229.08319	0.5
230.04478	0.5
232.06978	0.4
242.09010	1.2
246.08583	0.5
258.03998	0.7
260.10013	0.5
270.08334	0.4
273.07663	0.9
288.09546	1.9
306.10410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	cis-Zeatin riboside
Peak:m/z	Relative Intensity
54.91691	0.8
56.23940	0.6
57.03416	1.2
57.07078	1.5
59.04986	2.2
67.05507	1.6
69.03416	2.9
69.07064	2.2
69.96329	3.1
70.02931	1.9
72.04518	8.0
73.02900	1.9
74.02436	0.7
83.04971	1.0
85.02905	1.6
85.06535	4.2
86.09689	0.8
87.04470	1.7
87.08115	1.3
90.05557	47.2
95.04949	2.8
97.02894	1.5
98.02419	7.9
100.03990	1.6
103.07594	3.6
113.05989	1.3
116.03462	6.6
116.39864	0.7
124.07603	8.3
133.04927	0.7
142.08690	4.0
160.09708	1.2
166.08673	1.3
174.11246	1.3
176.70007	0.9
184.09700	11.5
184.11180	1.1
202.10747	18.5
209.67825	0.7
220.11813	100.0
221.12216	1.4
240.74319	0.7
309.45831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06742	0.5
55.05503	0.7
57.07071	0.4
58.50643	0.6
59.42270	0.5
66.90977	0.5
67.05492	2.0
69.07059	1.5
69.58498	0.6
70.04051	0.7
71.08614	0.8
71.52272	0.8
74.05070	0.5
79.05480	1.9
81.07048	1.8
83.08624	1.0
91.05492	1.8
93.07042	2.4
94.04179	1.3
95.04977	0.5
95.08611	1.6
105.07009	1.2
107.08604	1.8
109.10171	1.3
119.08583	1.2
119.39256	0.5
121.10151	1.5
122.03664	2.4
123.11736	0.5
133.10123	2.2
135.11688	1.7
137.05984	100.0
138.06328	0.6
147.11708	0.8
151.11200	0.8
153.12740	0.5
170.15396	1.7
182.15407	4.8
241.19666	0.7
259.20633	1.0
277.21548	0.9
306.20660	8.6
333.16943	0.6
348.28375	0.6
351.18726	0.9
351.25467	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47696	6.2
55.05503	29.9
57.07067	10.3
65.35760	5.8
65.90575	6.2
67.05518	30.3
67.05804	5.4
69.07079	58.2
71.04977	10.6
71.52450	6.2
79.05498	30.5
81.07066	64.5
83.08618	13.2
91.05490	45.9
93.07060	75.5
95.05010	28.8
95.08616	72.7
97.06514	16.8
97.10192	6.0
105.07036	89.5
107.08598	47.9
109.06505	16.2
109.10152	49.5
117.07040	19.9
119.08588	100.0
121.06467	14.9
121.10140	64.9
123.11726	16.6
129.06999	9.2
130.07811	9.0
131.08577	41.0
133.10146	53.4
135.08066	19.1
135.11687	17.1
137.13287	8.9
142.07768	18.8
143.08527	27.4
144.09261	9.2
145.10147	54.6
146.07304	7.0
147.08034	10.0
147.11699	27.4
149.09634	17.2
149.13301	13.9
155.08569	8.9
157.10149	43.9
159.11725	32.2
161.09650	49.3
161.13254	17.7
165.70113	8.4
169.10091	7.6
170.10924	6.5
171.11748	30.3
171.13863	6.3
171.92020	7.5
173.13278	18.6
175.14832	17.1
177.16388	25.0
183.11621	8.1
185.13286	26.6
187.14832	8.0
189.16377	13.5
195.11720	7.2
197.13289	16.4
197.61887	6.5
199.14851	18.0
201.16417	13.8
203.17990	9.1
209.13326	13.8
211.14835	10.3
213.16435	7.1
215.18092	8.3
237.16270	7.8
255.21133	8.4
333.25696	8.7
351.26715	31.2
351.30762	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03442	2.3
67.05515	4.0
68.99783	2.3
69.03416	2.4
69.07079	5.7
71.10455	3.7
79.05492	4.8
85.02905	4.5
86.09673	1.7
87.75739	1.6
91.05482	2.4
97.06534	10.7
104.63750	1.7
109.10182	3.7
113.05994	1.9
123.04462	4.9
129.07037	2.3
130.27721	1.8
131.04951	3.4
131.08609	2.8
133.01096	1.7
136.06218	3.1
141.06982	4.4
142.07738	3.0
145.02840	2.1
145.06583	2.6
147.04442	2.7
149.05977	2.6
152.06226	6.2
153.07010	5.0
155.08572	6.7
155.10713	2.4
159.08052	21.5
160.05180	3.2
160.08748	2.2
161.05978	5.6
162.06404	3.7
165.03885	1.9
165.06969	10.7
166.07732	4.8
167.08598	16.1
168.05815	2.4
169.06494	5.0
169.10143	4.5
170.07251	3.8
171.08142	2.4
172.54628	1.9
173.05984	31.5
173.11755	4.2
175.03938	2.9
175.07555	6.5
177.05466	8.2
178.07762	3.7
179.08548	23.5
181.06523	4.8
181.10167	10.1
183.08093	7.8
185.06003	4.2
185.09641	4.3
187.07553	51.5
188.08327	100.0
189.08961	2.8
190.09422	2.6
191.03418	3.7
193.06502	4.4
194.07330	4.2
195.08058	22.4
197.05984	5.3
197.09631	7.9
198.06801	3.7
199.07558	7.9
201.09114	8.0
203.03375	2.0
203.07018	2.2
206.09291	5.1
207.08078	20.5
209.09610	11.7
210.06718	12.4
211.07550	33.1
212.08315	10.3
213.05583	2.2
213.09105	36.1
213.11052	3.3
214.06154	3.5
214.09341	1.7
215.03374	2.2
215.07034	4.1
215.10750	3.7
217.08665	4.0
218.08981	7.5
219.02887	2.8
219.08098	2.3
225.09117	94.8
226.09596	1.9
227.07025	5.4
227.10696	21.2
229.08585	6.9
235.07494	11.6
237.09149	4.8
238.06261	1.9
239.07039	19.0
242.09023	4.6
243.10156	12.6
245.08194	4.6
253.08565	33.1
255.06639	3.6
255.10126	3.0
257.08102	38.6
260.09924	2.0
263.07083	4.9
270.08521	2.0
271.09647	43.6
271.79318	1.8
273.07590	6.6
273.11148	2.4
281.08096	27.5
281.11026	3.3
288.09476	7.6
289.10892	2.7
299.09137	83.8
317.10214	3.4
371.14899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.05519	14.0
57.03439	3.4
57.07080	3.3
65.03962	2.3
65.06390	1.4
67.05183	2.8
67.05516	34.9
69.07074	9.4
69.77617	4.4
69.78024	3.5
71.04976	2.2
78.66352	1.4
79.05076	3.1
79.05504	52.9
81.07067	40.4
83.08615	4.8
85.06549	2.3
88.19073	1.5
91.05494	54.8
93.07056	75.4
95.04990	3.1
95.08621	30.5
97.06538	2.0
97.10191	1.7
99.08111	1.7
105.04525	1.8
105.07038	58.4
106.07379	1.8
107.08614	41.0
109.10177	11.7
111.08071	1.9
113.09621	2.2
117.07053	11.0
119.08594	53.8
121.06516	1.5
121.10162	28.4
123.11728	3.4
125.09676	2.0
129.07047	8.8
131.08582	21.2
133.10152	44.2
135.08073	1.8
135.11703	32.9
143.08585	8.2
145.10136	20.5
147.11707	46.5
149.09694	2.2
149.13266	19.6
151.11183	2.0
151.96158	1.7
157.10165	8.4
157.70299	1.7
159.11722	17.3
161.13280	28.7
163.11192	4.6
163.14861	5.5
171.11700	10.0
173.13248	11.4
175.14877	12.6
177.12834	2.5
185.13278	12.2
187.14928	2.6
191.14287	1.9
199.14799	7.8
203.14522	1.8
213.16367	5.0
231.17448	3.0
231.21101	8.8
241.19548	28.7
242.19829	1.6
254.08478	1.5
259.20612	100.0
277.21713	3.1
333.24390	3.0
351.25360	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72020	1.5
53.03941	5.2
55.01881	2.5
55.05280	1.8
55.05518	27.5
57.03441	35.1
57.07064	4.3
60.65382	1.4
65.03938	1.7
67.05511	50.2
69.07074	22.6
69.69330	4.4
69.69736	4.6
71.04976	4.2
72.02651	1.4
79.05501	48.8
81.06601	3.4
81.07064	61.1
83.04977	3.3
83.08623	14.3
85.02909	1.9
85.06540	6.3
91.04910	1.9
91.05487	40.8
93.07047	65.9
95.04960	4.5
95.08613	43.0
97.06527	4.5
97.10164	6.1
99.08102	5.1
105.04479	2.4
105.07041	46.2
105.65851	1.5
107.04967	1.9
107.08601	46.5
109.06506	6.1
109.10165	15.7
111.08064	4.3
117.07034	8.6
119.07821	2.3
119.08594	33.0
121.10145	36.8
123.08039	2.7
123.11723	5.8
125.09667	2.1
129.06961	4.1
131.08578	15.4
133.10135	32.0
135.08095	2.4
135.11705	29.1
137.09586	3.4
139.11177	1.8
143.08585	6.8
145.10114	15.5
147.11707	34.0
149.09604	2.4
149.13257	18.2
151.11267	2.3
157.10072	7.0
159.11710	17.2
161.13264	17.6
163.11269	1.8
163.14844	3.8
165.12752	2.9
171.11681	6.0
173.13281	8.1
175.14841	6.9
177.12767	3.0
185.13293	10.5
187.14812	8.9
193.12140	1.5
194.11769	3.8
199.14799	7.0
201.16440	2.1
205.15913	4.4
213.16429	3.3
221.15401	2.4
221.18947	1.7
231.21072	6.1
241.19522	17.5
241.78128	1.8
250.18077	2.1
259.20593	52.3
261.22119	1.7
277.21652	21.4
306.24341	2.0
333.24203	6.6
351.25284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01871	1.9
55.05521	17.9
57.03447	15.9
57.07074	4.3
65.03944	1.2
66.48419	1.0
67.05515	48.4
67.17937	0.9
69.07077	13.9
70.77445	1.2
70.77800	2.6
71.05002	1.9
71.08643	49.7
71.72079	1.1
79.05505	40.2
81.03428	7.1
81.07071	44.7
83.04993	11.6
83.08639	8.4
85.06557	3.6
91.04916	1.2
91.05492	31.1
93.07056	55.6
95.04975	11.5
95.08624	33.6
95.09182	1.0
97.06550	8.8
97.10198	3.7
99.08107	30.3
105.04499	1.2
105.07055	19.7
107.04948	5.3
107.08610	24.7
108.38805	0.9
109.06527	4.3
109.10169	13.1
111.08083	2.0
113.09672	3.3
117.07079	5.2
119.08593	14.7
121.06484	1.4
121.10155	24.2
123.08093	1.8
123.11718	2.4
125.09680	1.5
127.11108	1.4
129.07045	3.5
131.08601	5.2
133.10138	12.3
135.11716	32.1
137.09648	4.2
137.13356	1.0
139.11188	1.1
141.09140	3.4
142.88495	1.0
143.08586	1.9
145.10144	5.6
147.11726	6.8
149.13280	9.8
151.11220	20.3
157.10077	2.5
159.11780	3.6
161.13307	10.8
163.11220	7.0
163.14838	1.7
167.10704	3.3
171.11752	1.7
173.13309	2.3
177.12793	5.1
179.14340	100.0
181.12271	1.6
185.13251	3.0
189.12776	2.2
195.13870	1.8
199.14899	2.0
203.14435	1.4
221.15407	2.8
231.17430	1.4
235.17003	6.1
241.19547	2.8
259.20639	8.2
277.21655	47.6
293.21286	1.6
351.25378	51.3
352.25119	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01869	9.3
55.05512	20.3
57.03445	9.5
60.73998	3.9
67.05513	58.6
67.15332	4.6
69.03423	5.8
69.07082	26.6
71.04993	8.5
71.08645	9.5
71.52720	6.8
75.08751	4.5
77.90544	5.6
79.05511	65.2
79.65507	4.5
81.03437	9.5
81.07072	72.1
83.04998	6.1
83.08625	10.4
85.02943	5.0
85.06532	6.6
88.15327	4.8
91.05499	72.7
93.07059	98.8
95.04981	8.9
95.08620	58.4
97.06557	12.3
97.10172	8.1
99.08092	7.9
105.07053	68.5
107.08611	58.6
109.02853	7.0
109.06560	7.5
109.10151	28.7
117.07023	20.5
119.08602	60.9
121.10168	41.5
123.11701	13.7
127.03902	19.5
129.06992	13.7
131.08557	17.3
133.10150	46.1
135.08047	5.9
135.11705	49.8
137.05998	27.0
137.09668	5.2
143.08542	13.7
145.10124	22.9
147.04469	5.2
147.08157	5.1
147.11708	43.1
149.09647	9.2
149.13252	27.6
151.11186	6.4
157.10152	15.2
159.11713	15.1
161.13300	38.2
163.11195	10.1
163.14873	8.2
171.11726	12.8
173.13260	11.0
175.11208	6.5
175.14861	16.0
185.13293	13.4
195.08107	5.0
203.14413	7.9
211.60629	4.4
213.16248	6.3
218.56769	4.1
225.05811	4.4
231.21114	8.3
241.19560	32.9
259.20612	85.6
277.18234	10.5
277.21609	16.6
333.24307	10.6
343.44604	4.5
351.08557	13.1
351.12177	8.2
351.15839	10.6
351.21445	13.5
351.25406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.00457	1.3
55.01868	1.6
55.05521	18.9
57.03452	6.2
57.07071	3.9
65.03940	2.0
67.05515	43.0
69.07071	18.0
70.11805	5.1
71.05003	2.7
71.08618	1.4
75.04488	2.3
79.05502	71.7
80.05850	1.1
81.07067	53.6
83.04983	3.0
83.08637	8.1
83.09049	1.4
85.06552	3.1
91.05495	52.7
92.05816	1.2
93.07056	97.2
95.04973	3.8
95.08614	38.7
97.06548	2.4
97.10172	4.2
99.08107	4.1
103.05456	1.8
104.53380	1.1
105.04498	1.9
105.07044	60.7
107.07877	3.1
107.08606	52.7
109.06530	3.2
109.10168	16.3
109.65737	1.3
111.08096	3.5
113.09654	3.5
117.07030	13.2
119.08596	52.6
121.06577	1.6
121.10159	42.5
121.11050	2.2
123.08009	2.0
123.11724	2.6
125.09627	1.4
129.07013	8.1
131.08591	22.1
133.10144	52.7
135.11710	48.1
137.09645	3.6
137.98447	1.3
139.11195	1.8
141.06927	1.8
143.08588	10.9
145.10149	18.9
147.08121	1.8
147.11702	50.6
149.09627	4.4
149.13290	28.0
151.11237	2.7
157.10159	11.3
159.11699	23.9
161.09663	2.0
161.13281	36.6
163.11200	3.0
163.14859	9.0
165.12807	1.4
168.21939	1.5
171.11728	12.2
173.13269	12.6
175.11192	2.2
175.14839	16.0
177.12874	2.5
177.16431	1.8
185.13275	12.6
187.14853	3.1
189.12798	1.8
191.14304	1.9
193.12225	1.4
199.14841	7.4
201.16373	1.8
203.14392	2.5
213.16487	5.3
215.17934	1.9
217.16046	2.0
217.19690	2.9
221.15480	2.1
231.17415	2.8
231.21077	10.5
241.19539	40.6
243.09163	1.5
259.20602	100.0
260.20941	3.0
261.22281	1.5
277.21582	15.5
292.31335	1.3
297.67877	1.3
333.17398	3.5
333.24258	11.5
351.08774	2.6
351.18445	6.1
351.25372	95.9
369.19547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
53.60607	1.8
55.01869	5.6
55.05517	24.2
56.60795	2.0
57.03439	12.6
57.07074	7.0
60.46487	1.9
65.03925	2.5
67.05510	63.8
69.03441	3.1
69.07073	26.8
69.76056	12.6
71.04988	3.2
71.08643	3.3
77.03914	2.0
79.05501	72.2
79.31105	2.1
81.03418	5.3
81.07066	61.3
83.08628	11.9
84.94246	2.0
85.06535	6.2
91.05488	57.8
93.07052	91.5
93.07642	4.6
95.04977	5.6
95.08611	42.9
97.06537	4.7
97.10164	5.2
99.08079	4.9
101.06080	2.3
103.69576	1.9
105.07035	59.2
107.04951	2.4
107.08601	56.8
109.06519	4.0
109.10178	21.9
109.73599	2.1
113.09673	2.2
117.07021	14.9
118.49574	2.1
119.08595	51.4
121.06499	2.7
121.09332	3.3
121.10146	43.3
123.08086	3.9
123.11723	4.0
125.09619	5.6
129.07042	10.4
131.08545	20.7
133.10150	46.6
135.08086	3.0
135.11702	43.5
137.09599	2.8
143.08582	13.7
145.10121	22.7
147.08124	2.7
147.11703	48.4
149.09627	4.4
149.13275	25.0
151.11211	6.3
157.10136	11.5
159.11708	14.6
161.09636	2.8
161.13264	37.7
163.11168	3.3
163.14821	9.2
171.11681	15.3
173.12000	2.6
173.13248	11.1
175.11282	2.5
175.14819	18.7
176.16345	2.0
177.12825	2.4
179.14395	3.5
185.13318	13.6
187.14795	5.6
189.11276	2.4
189.12808	3.6
191.14322	2.4
195.14069	2.3
199.14833	6.9
213.16400	3.9
217.19507	3.3
231.17401	3.7
231.21124	8.1
241.19528	34.0
253.16557	2.6
256.46222	2.5
259.20612	82.8
277.21622	24.2
288.21490	2.3
333.24210	9.1
338.34705	2.3
351.12213	2.5
351.25320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.3
55.05519	28.1
57.03438	15.0
57.07056	4.3
59.48000	4.0
67.05177	6.7
67.05510	78.6
69.07072	25.6
71.05009	5.2
71.08646	22.5
71.52057	5.0
73.05987	4.3
74.52119	4.3
79.05503	74.7
81.07063	76.5
83.04988	9.0
83.08613	11.6
85.06568	6.1
91.05488	62.3
93.07047	87.0
95.04966	9.3
95.08609	54.4
97.06506	11.3
97.10155	4.8
99.08092	19.0
100.09722	3.6
103.05487	5.2
105.07040	75.4
107.04990	4.3
107.08596	53.7
109.10152	25.1
111.08109	5.1
117.07029	17.0
117.82331	3.9
119.08601	66.4
121.10139	38.9
125.09638	6.7
129.07018	12.0
131.08560	23.6
133.10144	47.8
135.11694	37.8
143.08542	13.9
145.10139	28.8
147.11697	46.2
149.09552	5.4
149.13292	25.1
151.11191	11.6
155.49182	4.9
157.10107	12.9
159.11717	21.9
161.13255	44.2
163.11166	12.1
163.14844	6.4
165.12811	7.8
171.11694	21.6
173.13358	11.5
175.14867	20.8
177.12709	5.7
179.10616	4.2
179.14384	9.1
181.22313	4.1
185.13329	15.5
187.14902	4.8
188.81136	4.7
189.09065	5.3
189.12836	4.9
199.13254	4.8
199.14879	15.6
231.21068	10.5
241.19470	30.6
259.20621	99.6
277.21616	29.6
307.44443	4.0
333.24176	6.4
351.21146	8.1
351.25327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
55.05519	16.4
57.03435	7.7
57.07074	3.0
64.72876	2.6
67.05178	4.1
67.05507	43.1
69.07072	19.6
69.62415	19.6
71.08631	5.7
79.05071	4.3
79.05499	63.2
81.03387	3.4
81.07061	55.4
83.05001	3.8
83.08617	9.3
85.06545	3.4
91.05487	46.9
93.07054	87.1
95.04945	7.0
95.08617	43.6
97.06525	6.8
97.75532	2.9
98.21494	5.5
99.08110	8.4
105.07023	50.4
107.07883	4.1
107.08599	50.7
109.06491	6.0
109.10142	11.6
109.10832	3.1
113.09616	3.8
117.07018	8.4
119.08589	52.7
121.06477	3.3
121.10155	48.1
123.08080	4.5
123.11692	5.2
129.06964	6.1
131.08575	24.1
133.10114	45.2
135.11691	47.5
137.05969	3.7
143.08551	9.1
145.10112	21.4
147.11693	41.9
149.09651	4.8
149.13266	23.3
157.10167	5.4
159.11674	26.1
161.13287	30.1
163.14824	8.6
165.12750	6.8
166.31573	2.9
171.11699	11.5
172.12233	3.6
173.13289	6.9
175.14859	13.8
177.12709	4.5
185.13239	8.7
187.14777	4.8
199.14827	8.3
213.16394	5.8
215.17900	3.4
231.17455	4.8
231.21085	5.9
231.99939	3.1
241.19548	31.1
259.20602	100.0
260.21194	2.6
277.21631	21.5
289.01270	2.9
289.21436	3.2
333.24219	11.6
335.04984	3.0
351.08630	5.7
351.25250	92.8
352.25595	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	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	0.4
55.01880	0.5
57.15908	0.3
65.03944	0.5
67.05506	0.8
69.03426	0.8
69.07062	0.5
69.92450	0.4
70.06584	1.1
71.05009	0.5
71.50671	0.6
79.05487	0.4
81.03409	0.6
81.07040	0.5
83.04948	0.4
84.08157	0.4
85.02901	1.0
89.03893	0.5
91.05486	1.1
93.07035	0.5
95.04980	1.1
97.06539	0.3
98.97568	0.5
105.07048	0.5
110.06022	0.4
117.03382	1.7
117.07041	0.5
119.04925	0.7
120.08111	0.4
127.03909	0.5
129.06987	0.7
131.08699	0.4
137.05968	0.5
144.06570	1.0
145.02846	4.7
146.06119	0.4
147.04411	1.4
149.05971	1.2
159.08096	0.5
161.05954	0.4
163.03859	0.5
170.05977	0.5
174.32466	0.5
175.03900	0.6
175.08722	1.0
177.05467	8.7
177.06900	0.6
187.07449	0.7
189.08995	0.5
191.03371	0.7
199.08788	2.3
200.09462	5.7
200.11076	0.7
201.10249	6.0
202.10986	0.5
206.10474	0.4
207.06551	1.1
212.09613	0.4
213.10225	7.1
214.11011	4.1
215.11818	19.0
216.12543	1.4
217.09991	0.6
219.11298	8.8
224.09171	0.7
225.13876	0.5
226.11014	1.7
227.08107	1.0
227.11702	1.1
228.12624	2.9
229.27542	0.4
231.11261	2.2
232.12077	0.4
234.06844	0.6
241.09816	2.9
241.13387	4.2
242.06749	0.5
242.10539	10.4
243.11256	1.7
245.04482	1.4
245.09436	2.0
254.10538	1.3
255.07611	0.8
255.11305	0.8
256.12109	3.2
259.10818	3.5
260.11597	4.4
261.12296	1.5
269.09677	0.7
269.12839	4.6
270.13739	0.5
271.14304	0.6
272.11612	0.7
273.08783	0.7
274.13202	0.8
277.11829	3.6
279.08640	0.5
280.12320	0.4
282.10077	0.5
287.09393	1.5
287.13834	2.3
289.15460	0.6
297.09018	0.6
297.12341	6.7
300.11096	2.7
305.10654	0.5
315.09641	3.7
315.13330	20.4
322.05133	0.5
323.12341	0.5
333.10745	6.8
333.14465	20.4
351.11575	9.4
351.15521	100.0
352.16064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
62.93764	0.4
67.05499	1.0
69.07054	0.7
69.48730	2.4
69.49142	0.8
77.45171	0.4
77.58681	0.5
79.05514	1.0
81.07061	1.8
83.11673	0.5
91.05496	0.7
93.07041	1.4
95.08627	1.0
97.06564	1.1
98.20704	0.4
105.07030	1.0
107.08603	0.6
109.06451	0.4
109.10139	0.7
119.08591	0.7
121.10147	0.6
123.11704	0.7
161.13422	0.5
223.07542	0.8
316.05844	0.8
331.08026	2.2
332.08533	1.0
333.20325	0.6
333.24316	0.8
351.12271	2.0
351.21436	100.0
352.21707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
53.91314	2.6
55.01852	3.6
55.05514	21.9
57.03427	6.8
57.07075	4.9
61.02910	6.6
67.05511	42.5
69.03407	4.2
69.07061	17.4
69.98138	13.1
73.02905	3.4
79.05498	49.8
81.07060	56.9
83.04968	4.7
83.08630	7.8
85.02899	5.1
85.06536	5.0
91.03961	4.6
91.05482	36.5
93.07048	67.2
95.04967	11.7
95.08620	37.9
96.08937	3.4
97.02853	6.2
97.06545	8.5
97.10192	3.1
99.08114	3.6
105.07027	46.5
107.08611	34.7
108.16776	3.1
109.06532	27.8
109.10164	17.4
110.33042	2.8
111.08096	3.7
117.07032	10.7
117.64569	3.3
119.08581	44.2
121.06519	5.1
121.10158	30.5
123.08114	4.1
123.11713	5.9
129.07007	6.8
131.08594	15.5
133.03473	7.7
133.10141	30.4
134.03569	4.9
135.08081	8.4
135.11732	25.7
137.09631	4.5
143.01978	4.0
143.08566	6.1
145.10126	16.2
147.11714	37.2
149.09613	5.8
149.13229	15.3
153.08949	2.9
157.10133	6.5
159.11696	16.3
161.13289	20.8
163.11211	7.9
165.12755	37.5
171.11775	9.7
173.13286	10.6
175.04404	3.4
175.14824	9.1
177.95998	2.8
179.14461	4.0
185.13300	8.9
187.14859	3.3
193.37985	3.2
199.14856	8.7
210.92612	3.3
220.06645	5.3
231.17540	3.3
231.21165	7.5
241.19536	21.2
259.20578	69.1
277.21649	9.1
289.21722	21.8
301.20032	5.3
302.20520	9.3
303.19873	4.3
309.07202	3.2
333.24454	4.0
350.67801	4.2
351.12350	7.0
351.25339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72599	0.6
55.01886	3.9
55.05501	0.7
57.03440	0.7
66.45238	0.6
67.05503	2.3
69.03410	1.1
70.06596	1.5
70.67534	1.4
70.67903	1.4
71.01365	0.8
71.04971	0.7
72.08136	0.7
75.51180	0.6
79.05474	0.7
81.07057	1.1
84.08174	0.8
85.02910	2.1
90.90414	0.6
91.05476	1.5
94.06594	0.7
95.04970	1.8
97.06583	0.7
100.54830	0.6
107.25314	0.6
109.02818	0.9
109.10178	0.8
115.52453	0.6
117.03370	0.9
117.07025	0.9
121.02857	0.6
122.06068	1.0
123.04440	0.7
131.04985	0.9
135.04411	0.8
138.05515	2.0
139.03792	0.8
140.07057	1.2
144.06586	0.9
145.02870	2.7
145.06433	0.8
147.04437	2.1
147.08061	0.9
149.06000	0.8
150.05487	5.0
161.05952	0.6
166.05051	1.1
168.06569	0.7
170.06052	1.0
171.08049	1.1
172.07738	0.9
173.05952	1.0
175.03882	1.8
175.07404	0.9
175.08745	1.2
177.05481	5.8
179.08359	0.6
184.06409	0.7
185.07169	1.3
187.07494	1.5
188.09428	0.9
189.09004	1.1
191.03461	0.7
198.09273	0.8
199.08714	3.8
200.09523	5.7
201.06631	1.9
201.10298	6.8
202.11003	0.6
203.08234	1.2
207.06573	1.1
213.06577	1.9
213.10316	8.5
214.07335	3.4
214.10959	4.7
215.08189	3.0
215.11810	19.2
216.10422	0.9
216.12476	1.5
217.06181	1.5
217.09744	3.8
219.07941	1.2
219.11299	9.9
223.08676	1.0
226.11012	1.4
227.04845	0.8
227.08253	4.6
228.08902	0.9
228.12611	2.7
231.07751	1.8
231.11351	2.0
232.08421	2.2
233.09441	1.5
235.05966	1.3
237.06598	0.8
241.06055	1.4
241.09869	9.3
241.13271	3.7
242.06786	2.1
242.10512	11.3
243.07744	1.6
243.11269	2.8
245.04620	1.5
245.09283	5.6
251.08099	1.0
254.10275	1.0
255.07713	7.4
255.10336	0.9
255.11353	0.9
256.12033	3.7
259.07263	1.3
259.10773	7.5
260.07910	3.7
260.11566	4.2
261.08694	1.9
261.12195	1.0
262.06308	0.9
269.09177	8.8
269.12839	2.9
270.13684	0.7
271.10818	1.3
271.14502	0.7
272.09152	1.0
273.08685	6.9
274.13443	0.8
277.11902	2.8
279.08606	1.1
287.10150	10.7
287.13843	2.7
289.11850	1.4
289.15457	0.9
291.09818	2.0
297.08685	7.3
297.12357	7.0
297.91785	0.7
300.11124	3.4
305.11127	2.6
305.14716	0.9
307.77347	0.6
308.06784	0.9
315.09723	31.9
315.13425	21.0
323.08621	0.7
333.10776	58.8
333.14505	18.8
334.11008	1.2
351.11755	71.3
351.15564	100.0
352.12100	1.5
352.15991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05033	1.6
63.35552	0.5
65.51449	0.5
67.05512	1.3
69.07087	0.7
70.06594	2.0
70.78893	1.2
71.61669	0.5
79.05504	1.2
81.03427	0.7
81.07037	0.8
82.06585	2.8
83.04989	0.7
83.07355	1.2
84.08147	100.0
85.02897	1.7
85.08496	0.6
90.05532	0.5
91.05489	1.0
93.07053	1.3
95.04995	0.7
95.08582	0.8
97.02892	0.6
97.06517	0.6
98.12817	0.5
99.04503	0.5
100.07638	0.7
101.04247	27.3
104.98299	0.7
105.07002	0.9
107.49754	0.5
109.02866	0.7
110.06076	0.7
110.07157	1.0
111.04450	0.5
112.07640	0.6
113.87740	0.5
115.05674	0.6
117.03357	0.7
117.07027	0.7
119.04934	0.6
120.08089	0.9
120.24340	0.4
121.06487	0.9
122.50038	0.4
124.07571	0.5
127.03947	0.6
127.05765	2.6
128.07069	0.6
129.10242	1.5
130.08656	6.1
131.04944	1.2
133.06419	0.6
135.08191	0.5
137.08336	0.4
145.02827	0.8
145.06458	0.8
147.04413	1.7
147.08057	0.5
147.11296	2.5
153.03688	0.7
157.04828	0.5
159.03015	0.9
159.08040	0.5
161.05986	0.7
163.03865	0.6
175.03885	1.5
175.07562	1.0
177.04047	21.5
177.05444	1.6
182.99652	1.6
187.02457	2.1
187.07509	2.5
189.05464	0.7
189.09146	0.7
191.03433	0.7
201.00752	1.8
205.03516	7.7
206.15431	0.6
213.10268	1.5
214.10966	0.8
215.06952	0.6
217.04927	0.6
217.08578	1.6
219.06520	1.8
220.11798	1.1
225.08955	0.8
227.11830	0.8
231.11409	0.7
232.15257	0.5
233.08134	1.7
235.05957	0.6
235.12164	0.6
241.08595	1.4
242.10442	1.7
245.04539	2.4
255.11464	0.6
259.10226	0.7
260.11578	1.8
261.07730	0.6
269.08087	0.8
270.09836	3.6
279.08685	2.5
287.09122	3.4
288.10880	24.5
291.04962	0.7
301.11758	1.9
305.10535	0.7
308.06842	0.7
315.08972	2.2
319.12878	6.4
322.42978	0.6
333.10410	2.1
333.13498	1.9
351.14096	75.0
352.14252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.7
55.05500	4.2
57.03435	2.8
65.05495	0.9
67.05499	2.2
68.99773	1.6
69.03421	2.8
69.07061	2.9
71.04980	1.6
71.51203	1.9
79.05478	1.7
81.03430	5.2
81.07053	2.8
83.04981	6.7
84.08144	2.0
85.02898	4.3
85.06554	1.5
91.03751	1.1
91.05476	5.5
93.07033	3.6
95.04966	4.9
95.08611	3.6
97.02872	1.6
97.06519	3.9
103.05454	2.8
105.07030	3.8
107.04924	1.6
107.08592	2.6
109.02889	2.1
109.10149	2.6
115.05443	2.6
117.06995	1.7
119.04951	1.6
119.08578	3.4
121.02843	3.7
121.10102	2.1
122.03195	1.5
123.04428	1.8
123.08079	1.2
128.06218	2.9
129.07004	2.7
131.04915	3.8
131.08543	1.6
133.06483	1.4
133.10130	4.6
135.11676	2.9
137.02319	6.1
137.03290	0.9
137.05940	1.9
141.07045	2.4
142.07729	1.3
142.09447	1.3
143.04919	1.3
143.08594	6.8
145.02831	1.4
145.10150	1.2
147.04425	7.3
147.11687	2.2
149.05969	2.2
151.03897	1.0
152.06207	2.1
153.07039	2.4
153.12729	2.7
155.08614	1.6
159.11707	2.1
160.05168	3.3
161.05977	13.7
163.03870	2.4
165.06938	1.4
167.08543	6.1
169.06401	1.7
169.10182	2.4
171.08063	5.3
173.06042	5.0
173.09521	1.1
175.03897	8.1
175.07500	2.7
175.14862	3.3
176.04651	3.9
176.08302	2.0
177.05499	16.8
179.08582	2.8
181.06509	2.8
182.07277	2.2
183.06592	1.3
183.08073	1.3
184.05180	1.6
185.05968	1.2
185.09676	1.1
186.06770	1.4
187.07559	2.2
189.05502	17.2
189.07257	2.2
189.09106	24.0
191.03398	4.0
193.04852	2.4
195.08099	6.2
197.05957	3.9
197.09619	5.3
198.06749	2.4
199.07629	4.8
201.05411	3.2
201.09064	2.8
202.06296	1.4
203.03429	4.1
203.07024	3.2
204.07823	40.6
207.06517	4.6
213.05446	4.3
213.09103	10.4
215.07069	2.0
215.10675	2.8
217.05109	2.2
217.08589	24.9
219.02895	1.6
219.10181	5.1
221.04430	13.1
223.07529	3.7
225.09076	8.9
226.06274	6.5
227.07011	5.0
228.07909	1.2
229.04958	1.9
231.10083	1.2
241.08611	100.0
242.09219	2.0
243.10156	3.7
245.04651	1.3
245.05626	1.4
245.08095	12.5
247.02373	1.2
251.06992	3.0
253.08694	2.0
255.06569	1.7
259.09708	12.3
259.12601	1.4
259.13330	1.3
269.08151	13.4
270.08786	1.8
271.09607	6.0
273.03912	2.9
273.07590	3.3
277.10730	4.0
279.06473	1.1
287.05930	1.2
287.09140	33.0
297.07590	8.7
305.06848	1.7
305.10229	10.0
315.08646	17.4
319.13058	1.5
333.06207	1.6
333.09546	6.8
333.13177	1.4
351.10999	9.9
351.17902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
57.03426	1.7
61.73419	0.7
65.03941	5.4
66.40518	0.7
67.05510	32.8
69.03429	1.0
69.07066	1.1
71.04981	0.8
79.05489	1.3
81.07050	0.7
82.06604	0.8
84.08135	0.8
85.02900	2.4
85.06550	1.4
91.05479	1.3
92.04999	3.0
93.07096	0.9
93.59628	0.8
94.06598	4.1
95.04969	11.9
97.06528	0.9
98.06009	1.0
100.18949	0.6
105.07015	1.4
107.08554	0.8
108.04485	1.1
110.06038	2.3
113.05995	1.6
114.11307	0.7
115.05469	1.1
117.07005	0.9
119.08595	0.9
120.04463	1.9
121.02856	1.6
121.05260	1.2
121.06487	1.2
122.06039	9.4
129.07001	1.1
131.04929	0.8
131.08543	0.9
138.05511	42.6
140.07080	10.9
141.05458	1.7
141.06984	1.2
143.08522	1.4
145.06500	1.6
145.10103	1.0
147.04399	2.1
148.03954	0.8
150.05513	100.0
155.07123	0.9
155.08635	0.8
157.06532	1.1
160.05153	1.1
161.05991	6.2
163.03946	0.8
164.07109	0.9
166.05013	19.9
167.08514	1.3
171.08037	1.3
173.06007	1.0
175.03947	2.1
175.07455	2.1
176.03404	4.6
176.04771	0.9
177.05472	2.7
183.08128	1.3
185.05981	1.4
187.07539	11.0
188.06853	0.9
189.09062	4.6
191.07103	0.7
194.04504	3.5
195.07993	1.0
195.71164	0.8
199.07593	1.8
201.09151	2.2
203.03477	1.0
203.07112	2.1
205.06929	1.1
205.08557	4.4
211.07584	1.4
213.05499	1.8
213.09128	2.2
217.08571	7.9
219.10161	1.4
221.04427	1.8
223.07623	1.7
225.09033	1.2
226.06108	1.1
227.07118	2.1
229.08643	2.5
231.02989	3.8
231.06548	2.7
233.08109	1.0
235.06152	0.8
241.08597	7.6
244.09801	1.1
245.08167	2.1
258.05371	1.3
259.09756	2.3
261.07721	0.7
269.08234	2.6
272.09241	1.8
273.07944	0.9
287.09128	11.1
287.12131	0.9
297.07758	1.4
305.07101	0.9
305.10175	3.8
315.09833	5.9
333.09985	4.6
351.07980	1.2
351.11740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15523	5.6
85.12179	2.7
103.99394	2.8
201.30826	2.9
201.74724	3.6
209.57104	2.9
351.06915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1078
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
53.03936	1.7
53.27192	1.5
54.13190	1.7
57.03440	13.8
60.82392	1.4
62.18164	1.6
62.64144	1.5
65.03960	1.7
67.05508	4.2
69.03413	3.6
69.07053	2.7
70.06581	1.9
71.05000	2.5
71.51202	1.5
73.02921	1.6
79.05482	2.2
81.03413	1.9
81.07030	2.5
85.02908	10.2
85.06543	3.8
87.00816	2.0
91.05472	2.8
93.07036	2.5
95.04983	13.2
95.08611	1.8
97.02914	1.7
97.06552	2.5
105.07035	3.5
107.04958	2.6
113.06013	13.0
115.05489	4.9
117.07016	3.7
122.06037	1.5
123.04469	4.2
127.07609	2.3
128.06239	3.4
129.07008	3.9
131.04936	4.2
131.08551	3.4
133.06497	2.1
133.10088	2.0
138.09151	2.0
140.07039	2.4
141.05479	3.4
141.07008	5.7
143.08537	7.9
145.06494	8.4
145.10066	1.8
147.04407	8.2
147.08028	2.2
149.05992	3.4
151.08670	2.0
152.07137	2.4
153.07001	5.9
155.07042	12.6
155.08382	3.6
156.10255	2.2
157.05070	1.9
157.06537	5.6
159.08049	2.8
160.05209	5.8
161.05988	41.2
163.03923	3.3
163.07565	7.4
165.07059	3.1
167.08560	7.2
169.06511	4.1
171.08064	7.5
173.05984	11.0
173.08102	4.4
173.09525	1.9
174.06735	4.0
175.03905	10.7
175.07559	21.9
176.04701	4.9
177.05501	9.8
177.09068	3.0
179.08595	2.9
181.06474	7.0
182.07153	2.1
183.08041	4.0
185.05992	4.7
186.06766	3.0
187.07556	100.0
189.05446	7.5
189.09113	43.1
191.03392	6.0
191.06967	8.0
193.04990	4.6
195.08101	12.5
196.02341	3.1
197.05934	3.7
197.09633	3.0
198.06683	2.1
199.04056	1.6
199.07549	19.0
201.05507	4.4
201.09111	15.6
203.03328	2.9
203.07065	13.1
205.08629	36.0
207.06419	3.2
209.06082	2.9
211.07533	3.1
213.05473	10.8
213.09039	16.5
215.07053	5.2
215.10597	3.6
217.08611	65.7
219.06665	2.5
219.10233	8.3
221.04494	8.9
223.07629	8.9
225.09189	7.7
226.06284	5.2
227.07024	18.0
228.07794	4.4
229.04955	2.9
231.06506	19.5
231.10104	3.0
233.08073	7.3
241.04906	2.5
241.08612	47.9
243.06378	2.2
243.10216	6.6
245.04366	1.8
245.08098	25.7
247.05931	1.9
251.07019	2.0
258.05338	6.6
259.05875	1.8
259.06778	1.9
259.09695	26.9
261.07568	4.7
261.11279	2.3
269.08096	22.0
271.09628	2.1
273.04001	3.9
273.07486	3.5
277.10721	16.3
287.06088	2.3
287.09131	61.2
288.09384	2.2
296.26633	1.8
297.07596	6.0
305.06760	3.6
305.10150	24.9
315.08762	11.3
333.09732	18.0
351.11169	10.7
351.18646	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.3
57.07081	98.5
59.05008	17.3
66.75013	1.7
67.05527	3.3
69.07076	3.1
69.72566	6.4
71.08639	100.0
81.07070	3.2
83.08623	3.3
85.10188	95.5
89.06039	29.2
93.07051	1.9
95.08617	3.7
97.10178	2.8
99.11743	8.9
103.07585	2.9
105.07023	1.8
107.08572	2.6
109.06528	4.8
119.08557	2.0
121.10160	3.6
123.08077	6.4
133.08614	19.0
133.10110	2.8
135.08112	1.6
135.11752	2.1
137.79227	1.4
141.16394	6.1
151.09671	11.7
157.70117	1.7
161.70378	1.6
179.10738	2.3
179.14328	14.0
195.12314	6.1
199.20584	4.4
276.70993	1.5
331.26425	1.9
349.23547	2.7
349.27304	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	349.274
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
55.05516	4.8
57.07076	1.3
67.05511	4.7
69.06738	0.6
69.07079	8.7
69.54002	3.2
71.04969	1.3
71.08634	1.1
79.05495	3.2
81.06647	0.8
81.07064	8.0
81.16694	0.5
83.04995	0.8
83.08629	4.1
86.50407	0.6
91.05489	1.5
93.07050	4.8
95.08627	5.2
97.06517	1.5
97.10166	0.8
105.07030	2.7
107.08593	4.8
109.06527	9.7
109.10176	3.7
111.08081	1.4
119.08578	2.4
121.10138	2.8
122.07214	0.8
123.08077	57.6
123.11681	1.4
125.09601	0.8
131.08594	0.9
133.10094	2.0
135.08080	4.1
135.11690	2.6
137.09622	3.0
142.99994	0.5
145.10126	1.6
147.11668	1.8
149.09608	0.7
149.13289	2.1
151.11200	0.8
158.32678	0.5
159.11809	0.8
161.13303	1.0
171.11693	0.6
179.14316	5.5
215.18170	0.8
275.20059	2.2
289.25171	1.1
293.21152	17.1
303.26831	0.7
307.22797	0.9
330.96976	0.7
331.26224	1.8
349.27399	100.0
350.27670	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.91999	0.3
55.05523	2.0
55.05729	0.4
57.03424	0.4
57.07079	4.6
60.23499	0.3
67.05504	3.4
69.07079	2.8
71.04993	0.9
71.08633	2.6
71.38080	0.6
79.05499	3.0
79.65564	0.5
81.06679	0.4
81.07071	7.0
83.04993	0.7
83.08609	1.1
85.06540	2.1
91.05499	2.8
93.07050	4.4
95.04961	0.9
95.08617	6.6
97.06545	0.7
99.08086	1.6
105.07036	3.9
107.08607	3.3
109.06525	17.2
109.10171	3.0
111.08060	0.5
117.07034	0.5
119.08595	4.6
121.06544	0.6
121.10152	4.3
122.07294	1.8
123.08076	22.6
123.11686	0.9
129.07085	0.7
131.08578	2.1
133.10150	2.5
135.08066	3.2
135.11687	1.2
137.09645	0.6
142.07832	0.5
143.08548	0.9
144.09311	0.6
145.10132	2.1
147.11726	1.0
149.09596	1.1
151.14816	0.6
155.08603	0.4
156.09334	0.5
157.10120	1.4
159.11758	1.0
161.09616	0.6
161.13278	0.8
167.14146	0.5
169.10022	0.4
171.11752	0.6
173.13260	0.4
175.14876	0.6
179.14326	100.0
180.14728	0.9
183.11743	0.9
187.14865	0.9
193.15887	2.7
195.11780	0.6
197.13278	0.5
205.15834	0.5
209.13341	0.6
222.21608	0.4
244.76294	0.4
289.19366	0.5
331.26410	2.3
349.27435	95.5
350.27756	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05512	1.6
57.07079	4.1
60.82372	0.4
61.02280	0.3
63.45425	0.3
67.05520	2.8
69.07076	2.4
71.08640	2.4
71.54085	0.3
76.37336	0.3
79.05488	2.5
81.07063	4.4
83.08632	0.8
85.06564	2.1
85.12777	0.3
91.05482	1.5
93.07052	2.8
95.04949	0.5
95.08618	4.6
96.63230	0.3
97.06539	0.4
97.10175	0.4
99.08098	1.4
102.85070	0.3
105.07026	1.5
107.08574	2.6
109.06530	17.0
109.10170	2.0
111.08067	0.7
114.24353	0.3
115.38651	0.3
117.06989	0.4
119.08578	1.9
121.10137	2.2
122.07274	1.8
123.08083	23.1
123.11707	0.7
131.08543	0.5
133.10110	1.2
135.08028	3.4
135.11707	0.8
136.08853	0.4
137.09630	1.1
139.11179	0.3
145.10124	0.7
147.11676	0.8
149.09741	0.4
149.13313	0.5
151.14861	0.3
159.11662	0.4
161.13211	0.5
163.14830	0.4
165.12709	0.6
175.14929	0.5
179.14330	100.0
180.14662	1.2
193.15903	2.6
233.18889	0.4
289.25351	0.7
331.26352	2.6
344.34125	0.3
349.27411	95.4
350.27859	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05522	4.8
57.07071	1.4
67.05510	3.0
69.07081	8.1
70.21538	1.4
71.05002	0.9
71.08609	0.6
73.06561	0.7
79.05495	2.7
81.07065	6.3
83.04980	1.2
83.08627	3.6
85.06561	0.5
91.05479	1.9
93.07053	4.2
95.05006	0.6
95.08616	4.9
97.06518	1.5
97.10201	1.3
105.07025	1.7
106.20741	0.4
107.08614	4.5
109.05805	0.6
109.06532	9.7
109.10192	2.9
111.08082	1.5
119.08621	2.3
121.06500	0.5
121.10165	3.6
122.07297	1.2
122.10339	0.5
123.08082	53.5
123.11731	1.7
133.10146	1.8
135.08032	3.7
135.11674	1.8
136.08832	0.9
137.09624	3.2
145.10147	0.9
147.11684	1.8
149.09621	0.7
149.13284	1.4
159.11723	1.1
161.13315	1.2
163.11191	0.5
165.12772	0.9
173.13304	0.8
177.12735	0.7
179.14337	12.8
233.19032	0.7
275.20120	1.7
289.25217	1.1
293.21140	16.0
307.22586	0.7
331.26468	2.5
349.27408	100.0
350.27789	1.6
350.35071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31657	1.8
53.03952	12.8
53.97377	1.7
55.01876	18.2
55.05516	47.7
57.03433	17.5
65.03934	3.4
67.05511	76.0
69.03427	5.2
69.06733	3.1
69.07078	41.9
69.90565	8.6
71.04981	5.5
71.78642	1.8
77.03904	1.8
77.99227	1.9
79.05501	100.0
79.29028	1.5
81.03427	21.3
81.07063	72.1
83.04994	29.1
83.08624	16.5
84.26431	1.6
85.06542	3.8
91.05487	69.1
93.07050	67.2
93.07646	4.2
95.01338	11.7
95.04972	19.6
95.08070	2.6
95.08620	40.7
97.06535	19.3
97.10168	17.2
97.57985	1.6
103.52654	2.4
105.04563	1.9
105.07038	71.3
107.04964	42.5
107.08608	59.1
108.78387	1.7
109.06543	7.3
109.10164	24.5
111.04436	2.6
111.08080	6.0
115.05451	2.5
117.07020	26.5
119.07808	3.0
119.08599	42.0
121.06510	6.3
121.10159	21.0
123.04469	2.4
123.08125	9.2
123.11702	5.3
125.09653	12.5
129.06970	6.5
131.08586	28.9
133.06477	2.8
133.10143	46.8
135.08087	10.0
135.11681	11.8
137.09592	4.1
141.06999	3.8
143.08588	3.7
145.06480	3.3
145.10135	26.6
147.08119	2.4
147.11690	20.6
149.09637	43.3
149.13254	7.4
153.09117	3.2
156.79457	1.7
157.10112	4.5
159.08044	2.2
159.11717	16.4
161.13258	6.6
163.11151	4.6
163.14799	5.3
165.09108	2.6
167.10591	2.2
169.10185	4.0
171.10207	2.2
171.11682	4.7
173.09554	2.2
173.11838	3.4
173.13257	6.8
177.12775	6.3
179.14304	17.1
183.11676	5.6
185.13293	2.7
186.35204	1.9
187.11183	5.5
187.13306	2.6
189.11252	3.9
191.14349	1.8
197.13321	4.1
200.44026	2.1
209.15417	7.1
215.17860	2.7
219.13943	1.9
223.13506	2.5
229.19528	8.9
233.15405	2.3
239.17918	4.3
247.20528	2.7
253.97910	2.2
257.19022	12.9
275.20087	72.6
293.20999	2.1
349.13214	4.2
349.23724	77.8
349.27231	4.0
350.23294	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	349.2378
Annotation	3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione
Peak:m/z	Relative Intensity
53.03956	3.8
55.01873	5.1
55.05521	16.7
56.96577	1.7
57.03450	13.9
57.07071	3.6
67.05185	2.2
67.05515	32.0
69.03436	4.0
69.07078	19.2
71.04983	2.5
71.52574	2.4
79.05069	2.8
79.05505	37.1
81.03410	2.5
81.07064	39.0
83.04982	8.4
83.08635	7.2
85.06537	1.6
90.45764	1.6
91.05495	32.8
93.06490	2.7
93.07058	35.7
95.04983	11.6
95.08619	24.9
97.06538	13.1
97.10190	5.9
105.07041	37.1
107.04948	11.9
107.08617	33.0
109.06534	10.1
109.10190	11.9
111.08122	3.8
115.03914	1.9
117.07020	9.2
119.08604	19.9
121.02757	1.7
121.06546	11.9
121.10160	12.7
123.04423	1.8
123.08078	6.5
123.11737	4.2
125.09682	2.8
128.06230	1.6
129.07025	3.6
131.08598	19.9
133.06503	3.7
133.10147	23.7
135.08076	6.0
135.11707	7.3
137.09608	3.6
137.13261	2.0
139.11101	2.1
141.07060	2.5
143.08594	5.1
145.10158	22.7
147.08061	4.6
147.11705	15.1
149.09630	8.3
149.13217	2.7
151.11197	6.1
155.08539	3.8
157.10199	3.6
159.04491	2.0
159.11703	9.8
161.09657	2.2
161.13272	4.3
163.11211	8.4
169.10159	4.2
171.11719	3.6
173.09621	4.4
173.13295	8.3
175.11151	2.5
177.12837	2.3
179.08580	1.9
183.11736	3.7
185.13266	2.8
187.11172	2.7
189.12798	1.8
191.14326	3.5
197.13316	3.2
199.14833	2.0
201.12747	3.0
204.02505	1.6
207.13802	4.2
211.07605	2.7
215.14441	2.8
215.18037	2.8
219.13924	3.2
225.09158	4.1
229.19553	2.7
231.02969	4.1
233.09778	2.4
239.18024	7.5
243.11987	1.7
247.11090	3.7
247.20634	3.6
253.08565	1.8
257.19052	23.6
261.12717	2.0
273.07590	2.8
275.10706	3.8
275.20108	100.0
276.20602	2.3
279.13910	3.8
289.12311	2.6
291.06296	1.9
293.21045	7.4
294.55319	1.7
299.09119	5.4
303.13831	11.8
305.11597	2.2
305.15137	1.6
307.13107	2.5
308.83218	1.8
321.14798	2.7
331.12598	2.0
331.22736	1.9
349.10596	4.1
349.14456	19.9
349.20258	3.3
349.23788	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49325	2.3
53.03952	20.5
55.01876	19.4
55.05519	26.5
57.03435	16.9
58.03400	2.4
65.03917	3.7
66.91544	2.6
67.05508	82.3
69.03425	2.7
69.07073	74.7
69.97127	9.9
71.04996	2.3
79.05502	62.8
81.03425	39.1
81.07058	95.9
83.04987	14.5
83.08605	15.8
85.06531	4.1
91.05486	86.9
93.06493	3.8
93.07052	66.5
95.01331	27.8
95.04985	23.7
95.08613	74.4
97.06535	28.1
97.10165	6.3
99.08079	4.1
105.04521	2.5
105.07035	100.0
107.04298	4.3
107.04954	49.8
107.08591	34.4
109.06526	10.4
109.10175	11.9
111.04440	5.0
111.08067	4.5
111.76966	2.2
113.09629	3.1
117.07037	27.3
119.08593	52.1
121.06499	6.5
121.10175	13.5
123.04453	4.4
123.08054	15.5
123.11683	3.8
129.06995	4.0
131.08572	45.7
133.06418	2.6
133.10144	60.4
135.08054	5.8
135.11714	17.2
137.09630	3.8
139.07623	3.8
141.06973	5.5
143.08609	5.8
145.06470	8.7
145.10133	30.2
147.11687	25.1
149.09634	8.7
149.13304	12.6
151.11182	2.9
153.19595	2.5
157.10118	5.8
159.08015	3.0
159.11696	27.6
161.13274	8.6
163.11169	8.1
165.09137	4.1
169.10124	4.2
171.11690	4.9
173.13249	6.2
177.12755	10.3
179.14313	36.6
179.26796	2.3
183.11688	3.6
185.13300	2.7
187.11162	9.9
195.13651	2.9
197.13167	3.0
229.19516	2.7
239.17851	3.4
241.14330	2.6
247.20584	3.4
257.18954	10.9
275.20074	83.1
293.21170	3.2
349.23730	73.6
349.27295	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03946	4.9
53.64287	0.9
54.31940	0.9
55.01675	0.9
55.01875	10.6
55.05516	50.6
56.92783	0.9
57.03442	12.7
57.07054	1.9
59.04998	1.4
65.03925	2.6
67.05510	51.1
69.03446	5.1
69.07075	15.7
69.53999	2.9
69.54411	4.6
71.04999	6.0
71.08607	1.3
76.13771	1.2
79.05497	100.0
79.81784	1.0
81.03400	3.9
81.06593	1.9
81.07060	38.9
83.04985	26.0
83.08619	11.4
85.02931	1.0
85.06532	2.5
88.09840	1.0
89.00047	0.9
91.04908	1.3
91.05486	39.1
93.07052	58.5
95.04986	10.8
95.08611	21.1
97.06516	5.6
97.09635	1.4
97.10179	16.1
103.05529	1.1
105.04531	1.2
105.07034	32.7
107.04964	28.6
107.08599	60.3
109.06506	6.1
109.10162	24.9
111.04376	0.9
111.08122	5.9
117.07034	13.1
119.06118	1.5
119.07712	1.4
119.08585	24.0
121.06496	3.8
121.10148	21.7
123.08099	7.7
123.11723	4.9
125.09645	16.1
129.07031	2.5
131.08574	13.9
133.10147	19.6
134.13884	1.0
135.08054	10.2
135.11710	7.2
137.09660	2.3
143.08562	2.6
145.10121	12.9
147.08107	0.9
147.11696	15.8
149.09630	54.7
149.13348	2.2
153.05524	1.0
153.09132	3.3
153.12708	1.7
155.08542	1.2
155.10654	1.3
157.10178	2.4
159.11714	7.6
161.13254	4.5
163.11169	3.8
163.14786	5.4
167.10789	1.3
169.10124	1.5
169.12285	4.3
171.10181	2.7
171.11732	3.1
173.11751	4.9
173.13281	5.4
175.11206	1.4
175.14906	1.3
177.12794	1.7
179.14349	3.7
183.11667	2.5
187.13361	2.3
187.14880	1.4
189.11240	10.7
189.12779	1.5
191.14317	4.5
197.13252	2.2
201.12845	1.8
205.12256	1.9
209.15372	7.5
215.14276	1.2
215.17984	2.2
229.19560	4.8
233.15448	2.3
247.20604	3.0
257.16574	1.4
257.18991	9.7
275.20078	52.0
293.21103	1.8
305.14523	1.1
336.09995	1.0
349.23746	60.6
349.27518	6.9
350.23785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01877	4.2
55.05516	14.8
57.03198	1.4
57.03444	14.5
57.07063	2.5
60.38232	0.7
65.03937	1.6
67.05507	24.8
69.03427	2.3
69.06730	1.3
69.07072	19.0
70.10017	1.3
70.10412	2.0
71.04993	2.3
77.03924	0.9
79.05495	20.7
80.80109	0.8
81.03410	0.9
81.07060	30.4
83.04987	9.4
83.08624	7.8
85.06559	1.3
85.85258	0.7
90.75296	0.9
91.05488	21.9
93.07050	30.8
93.07643	1.8
95.04967	7.1
95.08612	19.2
97.06542	5.5
97.10169	2.1
98.20860	1.0
103.05474	0.9
105.07041	25.3
107.04954	9.5
107.08604	16.6
109.06525	11.7
109.10152	8.3
111.08072	2.8
117.07021	8.7
119.08585	16.9
121.06521	13.0
121.10136	10.4
123.08060	6.3
123.11700	3.6
125.09695	0.9
129.07011	2.3
130.07767	1.1
131.08588	18.8
133.06509	2.7
133.10136	18.6
135.08070	5.0
135.11690	6.2
135.22319	0.7
137.09581	1.9
141.06969	1.5
143.08549	3.1
144.09308	1.0
145.06512	2.7
145.10141	13.3
147.08020	3.3
147.11710	11.2
149.09616	5.7
149.13321	4.2
151.11157	6.9
157.10130	4.0
159.08023	1.7
159.11687	9.9
161.09610	3.7
161.13271	3.5
163.11153	5.5
163.14824	1.3
169.10159	1.2
171.11642	3.8
173.09628	2.7
173.13295	5.5
175.11192	3.1
177.12793	2.5
179.10725	0.9
179.14256	1.1
183.11684	2.2
185.68863	0.8
187.11240	1.2
187.14851	1.5
191.14284	3.1
197.13304	1.7
201.12761	3.4
205.15967	0.7
205.19620	0.7
207.13834	3.8
215.14195	1.1
215.17953	2.8
219.13776	4.5
229.19560	3.1
231.17482	1.2
239.17924	3.8
247.20583	4.5
257.19052	13.0
275.20081	100.0
276.20413	1.7
293.21173	8.7
349.17126	1.3
349.23734	47.2
367.79099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1396
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.99721	0.4
55.05507	0.5
67.05499	0.9
69.03438	0.6
69.07076	3.3
69.18593	0.5
69.18992	4.0
70.06584	1.7
71.04992	0.4
80.85828	0.5
84.04467	0.5
85.02898	0.8
86.09725	1.2
91.05479	0.4
93.07003	0.4
94.06551	0.5
109.02892	0.5
122.06045	1.3
122.09656	0.5
124.03954	0.4
140.07071	8.6
145.06470	0.5
146.06030	0.6
147.04474	0.8
148.07597	0.8
151.03856	0.8
160.07610	0.5
162.05714	0.5
175.08646	2.6
183.09216	0.8
185.10844	0.7
186.08009	0.7
187.08707	1.2
188.08313	0.7
189.10249	0.7
190.04967	1.0
192.06493	0.5
196.09959	1.1
197.10789	0.9
199.08659	4.1
201.10251	1.0
204.08939	0.8
207.06485	0.5
210.07974	0.6
211.08765	2.5
211.12320	3.2
212.09404	1.0
213.10249	1.6
215.08235	4.2
215.11800	3.6
217.09747	17.0
221.10872	0.6
224.09502	0.6
225.10251	2.9
226.08578	0.6
229.09830	2.5
230.10600	1.5
231.11377	1.2
233.09160	0.5
239.08054	1.6
239.11809	7.8
242.11826	0.6
243.07712	1.1
243.11334	6.2
244.09712	3.3
245.13058	0.5
249.10254	0.6
253.09766	1.2
257.09308	3.6
257.12827	3.5
258.10004	1.4
259.10843	0.6
261.12421	1.3
267.11301	9.0
269.12827	0.8
271.10751	5.8
272.08994	0.8
273.12518	1.0
275.10300	1.5
285.12332	9.4
286.10626	0.9
287.14008	1.2
289.11832	8.9
295.10806	7.8
303.13409	4.2
307.12958	1.1
313.11819	20.9
319.12952	3.2
321.14645	0.7
331.12897	31.9
332.13174	0.5
349.13956	100.0
350.14267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
57.03442	0.5
60.04535	0.4
60.65960	0.3
61.02911	0.4
64.22856	0.4
69.03436	0.9
69.07061	0.7
69.85764	0.8
69.86162	0.9
70.06582	0.7
70.95871	0.4
72.08147	0.4
81.07034	0.5
84.08147	0.8
85.02895	1.4
86.09741	0.5
91.05442	0.5
92.97626	0.4
93.07087	0.5
94.06563	0.5
95.08640	0.4
97.02892	1.0
98.97511	0.5
109.06510	0.4
111.04401	0.6
121.26126	0.4
122.05999	0.7
122.35504	0.4
127.03941	0.7
127.07531	0.5
135.25172	0.4
138.05371	0.4
139.07515	0.4
140.07100	0.5
146.06024	1.0
147.04404	1.1
171.06609	0.5
187.09424	5.1
190.04898	0.4
208.09656	0.6
219.31737	0.4
234.99109	0.6
240.10284	0.5
247.14490	0.4
287.13815	0.7
288.07529	0.4
296.09045	0.7
307.06503	0.7
314.10315	0.8
331.12869	0.9
332.11456	0.5
349.08279	2.8
349.09567	3.5
349.14694	100.0
350.15103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1861
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03941	4.2
54.26263	1.2
55.01860	3.5
55.05513	5.4
57.03431	5.0
57.07059	2.1
59.04994	3.5
61.02919	4.8
67.05513	6.4
68.88802	1.2
69.03432	19.5
69.07080	18.8
70.06581	5.0
71.04996	26.9
71.30059	1.7
71.30372	1.7
73.02905	2.5
79.05490	10.5
81.03419	9.0
81.07063	74.7
83.04979	7.3
83.08613	4.2
84.04507	4.9
84.08150	2.7
85.02913	56.6
86.09703	4.2
87.02678	1.6
87.04457	2.8
89.06020	1.7
91.03947	2.1
91.05491	3.5
93.07069	8.5
94.06568	2.9
95.04980	2.3
95.08618	7.7
96.08151	1.7
97.02904	14.9
97.06548	10.2
98.97585	1.4
99.04462	5.3
99.08119	7.5
105.07042	2.2
107.08603	15.0
109.02883	8.0
109.06525	4.8
109.10161	17.7
111.04417	1.5
111.08088	4.4
111.11744	7.0
113.05997	1.8
118.06517	1.3
119.04975	1.5
120.04472	5.6
121.02823	1.8
121.10159	3.4
122.02742	2.8
122.06033	4.3
123.08112	2.9
123.11710	38.5
124.07586	5.7
125.09621	2.8
127.03909	11.7
127.07514	1.7
127.11208	2.1
128.28085	1.2
133.10138	4.6
135.11743	2.1
136.06316	1.5
136.07515	1.4
138.05502	2.1
139.11191	16.5
140.07094	5.7
141.12753	1.9
142.08649	2.8
144.56493	1.1
145.04974	6.4
146.06017	16.9
147.04384	2.7
148.07614	1.9
151.11194	35.6
153.12762	2.3
157.12239	16.7
163.07559	1.5
164.07112	6.5
165.13945	1.5
168.09053	1.4
169.12251	100.0
172.03943	1.8
174.05511	2.5
178.92317	1.4
187.13298	31.3
190.04985	6.5
191.08157	2.3
192.06615	2.8
193.12207	1.3
196.07549	1.6
202.08954	5.6
208.06122	3.3
209.09416	1.4
209.77571	1.2
214.08638	2.0
224.10779	3.4
239.11702	1.9
241.08647	1.5
242.11766	1.9
243.12306	1.5
267.11160	1.5
283.09631	1.7
285.12308	2.1
287.13925	5.3
289.11755	1.8
303.13361	2.7
304.08267	1.5
305.15204	2.3
313.11792	3.5
331.09247	2.4
331.12875	21.3
332.07809	1.8
349.07129	2.1
349.09894	2.4
349.13968	16.5
349.18137	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01880	6.2
55.05267	1.2
55.05512	13.6
57.03198	0.8
57.03444	11.8
57.07068	2.4
65.03934	1.3
67.05508	25.7
69.03427	3.2
69.07075	17.4
70.56685	1.9
71.05000	1.6
77.03934	0.9
79.05498	21.9
81.07059	34.7
83.04988	7.7
83.08604	4.3
91.05482	21.7
92.48756	0.9
93.07046	27.9
95.04986	7.5
95.08068	1.3
95.08617	19.7
96.60386	0.8
97.06532	5.7
97.10188	2.1
105.07040	27.7
107.04957	10.0
107.08600	16.2
109.06526	9.4
109.10152	9.6
111.08087	2.4
115.05463	1.0
117.07006	8.0
119.08588	15.2
121.06503	11.8
121.10141	9.0
123.08069	6.3
123.11704	3.3
123.52087	0.8
125.09614	1.1
125.60894	0.9
129.06989	3.2
130.07803	0.9
131.08578	17.0
133.06505	3.7
133.10143	14.0
135.08052	5.7
135.11684	6.0
137.09627	2.0
143.08563	3.4
145.06506	2.3
145.10133	14.5
147.08060	3.7
147.11702	11.2
149.09618	6.8
149.13280	2.6
151.11188	4.6
155.08575	2.3
157.10104	2.5
159.08070	2.5
159.11687	8.5
161.09633	3.9
161.13286	3.7
163.11211	5.7
163.14853	1.1
165.12790	1.6
169.10106	1.6
171.11678	2.3
173.09610	2.4
173.13243	7.2
175.11217	3.5
175.14803	0.8
177.12738	2.7
179.14409	1.0
183.11696	2.9
187.11218	1.2
187.14807	1.0
189.12904	1.1
191.14340	3.0
193.12126	0.8
197.13344	1.7
201.12773	3.8
205.15947	1.3
205.19518	1.1
207.13759	4.1
215.14262	1.1
215.17992	2.6
219.13809	3.9
225.15057	0.8
229.19510	2.9
231.17513	1.4
239.17957	4.3
247.20641	3.2
257.18997	15.4
275.20078	100.0
276.20416	1.5
293.21133	9.5
331.22913	1.4
349.23749	50.4
349.27148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
58.99852	1.3
65.35491	0.2
68.98298	1.9
69.03420	1.3
69.86454	1.1
70.99861	1.9
73.01426	0.7
77.00906	1.0
79.00347	0.3
81.03415	0.5
82.99839	6.8
84.08135	0.3
84.92615	0.2
85.01430	1.3
85.02909	0.7
86.99343	1.8
87.04463	0.4
89.00896	1.4
91.02465	0.9
94.99809	1.3
97.01393	3.9
97.02887	1.2
98.20789	0.3
98.99325	0.3
100.00129	0.4
100.07638	0.8
101.00887	35.1
102.00970	0.6
103.02473	1.2
105.00380	0.7
107.01936	0.3
109.01411	0.7
109.03521	0.3
111.02924	0.2
113.00870	9.0
115.02440	8.8
115.03893	0.3
117.00343	0.4
117.03991	0.6
119.01928	19.8
124.02477	0.3
125.00864	3.0
127.02422	30.5
128.02559	0.6
129.00354	2.2
129.03995	1.0
131.01915	10.2
133.03474	4.0
135.01402	1.6
135.05061	0.3
137.00839	7.4
137.01926	0.4
137.02983	0.8
138.01663	0.5
139.02409	9.4
141.00360	0.6
141.03992	1.1
142.01115	1.7
142.12291	0.4
143.01906	16.4
145.03468	64.0
146.03580	1.2
147.01407	2.6
147.04985	0.4
149.02954	0.6
151.02429	0.5
153.00331	0.4
153.02481	0.5
153.03908	0.5
155.01898	39.5
156.02715	0.7
157.03474	31.1
158.03682	0.5
159.01424	1.3
159.05028	2.4
160.02174	0.7
161.02968	9.4
163.04520	3.0
165.04095	0.3
167.01903	13.2
168.02676	0.3
168.05084	0.8
169.03470	10.0
171.01361	1.4
171.05032	1.4
172.02150	0.3
173.02971	22.8
174.03278	0.3
175.04546	7.4
177.02475	1.5
178.03540	0.3
179.01915	0.7
181.03487	2.9
183.01387	0.5
183.04996	1.9
184.02170	0.5
185.02965	26.6
186.03136	0.4
187.04523	5.5
187.94217	0.2
188.12830	0.5
189.02541	0.3
189.06094	0.3
191.01917	0.4
191.03967	0.8
193.03473	1.4
195.01350	0.3
197.02936	6.3
199.04514	3.0
201.02484	0.6
201.06070	0.5
203.04008	14.8
204.04216	0.3
205.03539	0.5
205.05534	0.5
209.02965	3.4
211.04541	2.8
213.02495	0.4
213.06114	0.8
215.04007	5.8
216.04303	0.3
217.05417	2.1
221.02953	2.2
221.05089	8.1
223.04541	1.0
225.05695	0.3
226.05611	0.3
227.04048	3.9
229.05585	1.7
233.02983	0.3
233.05165	0.4
235.06633	46.3
236.06848	1.2
239.04013	3.8
241.05609	1.8
245.05104	0.7
247.06616	0.3
251.04024	1.3
253.07703	21.1
254.07880	0.6
255.03598	0.3
257.05051	2.9
258.08206	0.6
259.06726	1.9
267.06757	0.3
269.05127	2.5
271.06659	3.2
277.07684	1.1
281.05063	0.6
283.07520	0.7
287.06073	2.8
289.04657	0.3
289.07687	2.5
289.14838	0.2
291.09268	3.6
299.06085	1.7
301.07672	14.5
302.08057	0.5
303.09204	0.4
305.07318	0.6
313.07709	0.9
317.03702	0.3
319.08743	100.0
320.08990	3.0
321.09549	0.3
331.08774	6.5
337.09818	0.3
342.10214	0.4
349.10260	88.8
350.10150	2.2
350.18149	0.3
364.11362	0.2
367.10834	3.5
369.06918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70385	0.4
57.03433	0.5
58.99874	1.4
60.74031	0.3
68.98291	1.6
69.03437	1.8
69.22366	0.9
69.22768	2.3
70.99863	1.3
73.01435	0.6
77.00926	0.9
81.03430	0.7
82.99842	6.8
85.01415	1.0
85.02908	1.3
86.99337	2.1
87.04482	1.4
89.00917	2.0
91.02486	0.9
94.99863	1.1
97.00829	0.5
97.01403	4.1
97.02905	1.8
98.97632	0.3
100.00121	0.3
100.07634	0.7
101.00890	34.2
103.02443	1.1
103.96140	0.3
105.00368	0.9
111.02944	0.4
113.00873	9.5
115.02441	9.4
115.03848	0.8
117.00370	0.7
117.04034	0.9
119.01933	22.1
119.34696	0.3
125.00886	2.8
126.33304	0.3
127.02431	29.4
129.00380	2.3
129.03978	1.1
131.01915	10.7
133.03494	4.3
133.04967	0.5
135.01421	1.6
135.05020	0.3
137.00851	6.8
137.01877	0.5
137.02904	0.6
137.32588	0.3
138.01672	0.5
139.02409	9.7
141.00372	0.6
141.02144	0.4
141.03975	1.0
142.01137	1.5
143.01912	16.6
145.03474	62.7
146.03682	0.6
147.01387	2.7
147.05153	0.4
149.02979	0.6
151.02431	0.5
153.02536	0.5
153.03934	0.5
155.01909	40.4
156.02740	1.9
157.03476	30.7
159.01459	1.7
159.05054	2.0
160.02130	0.4
161.01709	0.8
161.02966	9.1
163.04547	2.8
166.03543	0.4
167.01897	10.8
168.99796	0.4
169.03468	9.5
171.01366	1.4
171.05040	1.4
173.02979	22.6
174.03444	0.4
175.03185	0.3
175.04538	7.1
177.02446	0.8
179.01862	1.2
181.03470	2.3
183.01431	0.4
183.05055	1.8
185.02975	25.4
186.03352	0.4
187.04536	4.9
191.02043	0.6
191.03986	1.1
193.03490	1.3
197.02979	7.1
199.04543	2.8
201.06047	0.9
203.04028	14.9
205.03511	0.4
209.02956	3.3
211.04506	3.6
213.02515	0.6
213.06010	0.7
215.02397	0.5
215.04050	5.9
217.05441	2.0
221.02954	2.6
221.05069	7.1
221.07068	0.6
223.04457	1.0
227.04054	3.7
229.05632	0.9
231.05244	0.5
235.06644	45.4
236.06746	0.6
237.05608	0.4
239.04057	3.7
241.05588	1.7
245.05109	0.7
247.06642	0.7
251.04088	1.1
253.07722	20.2
257.05096	2.9
258.08386	0.7
259.06683	2.0
267.06403	0.9
269.05112	3.1
271.06619	2.6
277.07767	0.7
281.04980	0.5
283.07550	1.3
283.57779	0.5
287.06168	3.0
289.07742	2.3
291.09259	2.8
297.52676	0.4
299.06171	1.6
301.07687	13.7
303.08899	0.5
313.07813	0.8
319.08765	100.0
320.08838	2.2
321.08752	0.5
331.08746	8.0
349.10062	80.7
350.10025	1.0
367.10873	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73529	0.3
58.99879	1.0
66.28523	0.3
68.98308	1.8
69.03436	1.1
70.99860	1.9
74.56304	0.3
77.00936	1.0
81.03423	0.5
82.06610	0.3
82.99842	6.9
83.00291	0.4
85.01427	0.8
85.02930	1.0
86.99329	1.6
87.04474	1.0
89.00931	1.5
91.02492	0.7
93.09271	0.3
94.99891	0.9
96.26623	0.3
96.46393	0.4
97.01414	3.4
97.02916	1.5
98.97569	0.3
100.07664	0.5
101.00901	31.8
103.02460	1.2
105.00376	0.4
109.01421	0.9
113.00885	8.2
115.02460	8.3
115.03876	0.5
117.00368	0.7
117.03990	0.8
119.01942	19.5
124.02467	0.4
124.07539	0.3
125.00888	2.7
127.02440	29.6
129.00366	1.8
129.03995	1.2
131.01929	10.0
133.03493	3.8
135.01405	1.9
137.00864	6.2
137.03043	0.6
138.01646	0.8
139.02423	9.1
141.03990	1.1
142.01137	1.7
143.01924	15.1
145.03490	61.1
146.03571	0.8
147.01428	2.7
147.05074	0.7
149.02980	0.5
151.02438	0.6
153.00383	0.4
153.02515	0.6
153.03967	0.4
155.01926	36.2
156.02750	1.6
157.03496	30.5
159.01402	1.6
159.05022	2.0
160.02194	0.6
161.02994	8.0
163.04575	3.4
167.01932	11.4
168.02603	0.4
168.05077	0.6
169.03505	10.3
171.01418	0.6
171.05070	1.5
172.02177	0.4
173.02997	19.9
175.04552	6.8
177.02446	0.7
179.01961	0.9
181.03529	2.6
183.05124	1.9
185.02992	25.8
187.04555	5.2
191.02013	0.5
191.04004	0.6
193.03488	1.5
197.03014	6.8
199.04573	3.4
201.06046	0.7
203.04048	12.9
205.03589	0.5
205.05495	0.4
209.01350	0.4
209.03020	3.3
211.04547	3.4
213.06184	0.5
215.04050	5.6
216.04674	0.4
217.05530	1.7
221.02974	2.3
221.05115	6.8
223.04549	1.4
225.05653	0.4
227.04045	4.1
228.91734	0.4
229.05643	1.1
233.03157	0.5
235.06671	48.5
236.06787	0.4
239.04082	3.9
241.05580	1.9
245.05093	0.8
251.04080	0.7
253.07745	20.8
257.05118	3.4
258.08228	0.7
259.06668	2.2
269.05139	3.3
271.06726	3.2
277.07635	1.0
281.05182	0.5
283.57980	0.3
286.77878	0.4
287.06107	2.2
289.07755	3.0
291.09323	3.3
299.06219	1.9
301.07742	13.8
305.07126	0.7
319.08795	100.0
320.09076	2.2
331.08777	7.5
337.09479	0.3
349.10159	83.5
350.10086	1.1
367.10925	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	348.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15252	10.9
55.05506	28.3
67.05508	23.4
69.07042	24.4
69.48910	74.5
78.99788	11.9
79.05489	18.9
81.07046	21.7
95.04956	11.5
95.08591	22.4
97.06532	22.0
100.11267	13.2
102.93806	10.3
105.06985	13.5
107.08546	15.0
114.11093	10.7
119.08624	12.5
127.40249	10.0
133.10150	13.1
141.98439	11.6
145.00612	12.1
260.72598	11.0
285.16904	20.8
289.79776	12.1
300.04846	16.4
318.05872	59.8
348.10669	100.0
348.21902	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
55.05516	15.2
55.11858	1.5
57.03431	7.2
57.07055	2.8
59.04999	3.0
65.03949	1.6
67.05509	58.4
69.03426	1.9
69.07069	14.2
71.04984	2.6
71.08630	5.6
71.52406	1.5
71.52795	2.4
79.05486	12.7
80.98703	1.6
81.03434	1.7
81.07056	32.0
83.05007	2.3
83.08624	15.1
85.06515	2.7
88.53966	1.7
91.05496	9.7
93.07053	17.0
95.08599	17.6
97.06530	5.7
97.10175	11.8
99.08108	5.5
105.07036	5.0
107.04893	1.9
107.08585	12.1
109.10167	58.4
111.08064	5.5
117.07016	2.6
119.08559	9.2
121.10161	8.2
123.11758	2.3
125.09644	8.9
131.08549	2.6
133.02805	1.6
133.10115	6.7
135.11688	6.1
137.09628	5.8
139.11182	2.4
144.73935	1.5
147.11685	3.2
149.13261	12.5
151.11195	6.0
155.10672	29.2
159.11697	4.9
161.13278	3.4
163.11250	2.8
165.12767	1.6
171.10095	1.8
173.11757	100.0
177.12747	1.5
179.14365	3.1
189.11203	13.8
190.14243	2.1
195.13837	24.8
213.14835	8.2
249.22017	2.3
258.94620	1.7
259.20587	2.2
277.21613	33.9
295.22705	19.1
348.07431	1.9
349.52353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46447	2.6
55.01873	4.5
55.05512	21.0
55.25648	2.6
67.05509	69.9
69.07070	25.0
69.27369	10.0
69.27796	13.8
71.05002	5.1
79.05499	22.1
81.07059	45.3
83.04986	7.0
83.08633	15.0
85.01550	2.5
91.05505	20.3
93.07047	28.7
95.04967	3.5
95.08618	24.5
97.06505	4.8
97.10167	12.9
105.07023	17.1
107.08607	31.3
109.10159	68.7
111.08067	5.7
117.06997	4.2
119.08582	18.6
121.10137	8.5
123.11755	3.8
125.09653	15.2
131.08578	8.0
133.10133	16.1
135.11673	5.7
137.09630	4.6
139.11169	2.6
143.10695	2.9
145.10158	5.1
147.11684	4.3
149.09613	10.2
149.13234	9.8
155.10689	43.8
159.11673	8.3
161.13164	2.9
163.11172	4.0
171.10199	4.8
173.10263	5.6
173.11746	100.0
177.12712	7.7
189.11287	18.0
195.13800	29.1
213.14798	17.5
239.17979	6.8
247.20320	2.9
257.19055	8.1
273.03375	3.6
275.20087	59.4
288.05811	10.7
293.21066	10.3
298.04315	13.5
313.06461	4.0
315.05087	5.9
316.05316	46.4
331.07626	6.6
332.04877	3.1
346.10052	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
55.05521	28.9
57.03426	3.4
67.05511	76.2
69.03430	5.1
69.07081	24.5
69.40354	10.3
69.40781	12.1
73.60654	2.7
73.68568	2.8
79.05505	31.0
81.07066	56.1
83.04961	5.5
83.08626	21.3
85.06522	3.8
91.05468	20.5
93.07050	31.4
95.08614	28.1
97.06538	6.5
97.10169	17.9
97.79691	2.7
105.07023	14.6
105.30421	3.1
107.08614	39.6
109.06503	3.4
109.10161	61.4
111.08061	5.4
117.07058	5.5
119.08601	12.1
121.10151	13.4
125.09649	11.1
131.08577	9.5
133.10159	16.6
135.11708	9.8
137.09636	5.0
144.93311	2.7
145.10129	7.3
147.11664	7.4
149.09653	7.8
149.13211	15.0
155.10690	41.9
159.11671	9.3
161.13246	4.2
163.11281	3.3
171.10222	4.1
173.11754	100.0
173.13120	3.5
189.11238	13.3
195.13840	34.1
213.14908	17.4
239.17972	5.6
257.19073	10.4
263.76242	3.8
273.03580	7.4
275.20120	61.7
288.05923	10.8
293.21085	14.1
298.04221	15.4
313.06854	4.1
316.05371	48.1
328.25259	5.6
346.05847	4.7
346.10031	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0765
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
52.43273	0.3
69.83317	1.3
97.79295	0.3
99.00893	0.4
107.55695	0.3
126.58918	0.3
134.03685	0.6
135.04459	1.8
137.02432	0.9
154.99762	7.5
174.06847	0.5
177.05540	0.3
178.02707	0.7
182.99376	1.1
184.05310	0.6
185.05827	0.4
187.03954	0.6
198.01706	0.6
201.00377	0.8
201.05502	0.8
205.05057	0.3
212.04739	0.5
215.03488	1.3
216.02721	0.5
229.05008	1.7
230.05811	1.3
233.04559	0.3
243.02954	0.8
257.04788	0.3
258.05325	0.3
261.03998	0.5
271.02432	0.3
285.04034	0.8
286.04770	1.9
289.03452	22.5
289.05878	0.8
299.01492	0.4
299.04507	0.8
303.17877	1.1
314.04227	16.9
316.05414	0.5
317.02914	72.5
318.03223	1.5
332.05280	14.9
347.07571	100.0
348.08060	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1241
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01884	3.1
66.40761	0.4
67.05509	0.8
69.03432	1.1
69.07097	1.3
69.64687	0.6
71.04990	0.9
71.51491	0.6
72.08192	0.5
79.05499	1.6
81.03474	0.5
81.07059	1.7
84.08193	0.6
85.02879	0.5
85.06566	0.5
86.09709	2.2
88.03969	0.8
91.05499	1.0
93.07047	1.1
95.04966	0.5
95.08595	1.5
97.06535	1.1
98.97588	0.7
99.00854	0.8
103.05523	0.7
105.07037	1.0
107.04976	0.7
107.08634	1.1
108.04485	1.3
109.10173	1.2
110.06054	0.9
117.77529	0.5
120.08131	0.8
121.06515	0.8
121.10157	0.9
124.07607	0.7
128.06215	0.7
129.06995	0.6
133.06429	0.5
134.03687	0.8
134.05984	0.9
135.04420	2.4
135.11742	0.9
136.07596	2.1
137.02367	0.9
137.05975	1.0
138.05524	0.8
147.06775	0.5
150.03136	0.6
152.03523	0.8
154.99779	6.9
156.08083	0.9
159.04468	0.7
160.03918	0.7
162.05542	1.0
164.04726	0.7
164.07091	1.7
167.07326	0.8
168.00603	1.0
169.01378	0.7
171.09171	0.5
176.07069	1.1
177.05612	0.8
178.02670	0.7
178.05084	2.1
182.99304	1.5
183.02963	1.5
183.06696	0.6
183.09300	0.7
184.07626	0.9
185.07179	1.8
186.01668	0.6
186.09239	0.8
187.03665	0.7
187.05081	1.8
196.07608	0.8
197.07082	0.8
198.01619	1.1
198.07858	0.8
199.08670	4.1
199.12297	0.6
201.00401	1.2
201.06837	2.9
201.10208	1.6
203.43404	0.6
210.09169	1.8
211.08688	0.7
212.04790	0.6
212.10895	0.9
213.06793	3.7
213.10236	4.5
215.03394	1.5
218.08171	0.6
223.08661	0.6
225.17612	0.5
227.08215	7.8
227.11736	2.8
228.10397	0.7
229.04999	1.5
229.09662	3.6
230.05731	1.3
231.07736	2.5
237.10266	2.3
238.08669	1.7
239.08305	1.7
241.09724	5.2
243.11169	0.9
245.09355	0.8
250.07301	0.8
251.08063	0.9
255.07718	7.8
255.11343	4.7
257.09241	2.2
258.05209	0.6
259.10925	0.7
265.09799	3.1
266.08121	0.8
267.07620	1.9
267.11441	0.7
269.09265	7.7
272.03162	0.6
273.04037	0.9
273.08704	4.2
273.11932	1.1
281.62900	0.5
283.10840	17.7
286.04581	2.8
287.05569	1.0
287.10291	2.9
287.13257	0.5
289.03476	20.1
293.09250	5.4
301.03549	0.7
301.11914	3.2
303.17929	5.3
311.10309	33.6
314.04242	15.9
315.04886	1.3
317.02966	66.6
318.03357	1.1
319.12979	1.4
329.11362	47.9
330.11746	0.7
332.05301	13.3
347.07657	100.0
347.12381	90.4
347.16742	17.3
347.20560	3.7
348.08020	1.6
348.12787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47533	0.8
53.03933	0.9
55.01855	1.0
55.77084	0.9
56.47482	0.7
56.96569	2.0
58.34917	1.0
62.18050	0.8
67.05497	1.7
69.03425	1.4
69.07065	1.4
72.08155	3.1
79.05499	1.6
81.07071	2.1
84.08162	1.2
85.02892	1.1
85.06580	0.9
86.09680	2.1
91.05481	3.6
93.06989	1.1
93.79682	0.8
94.04182	3.0
95.04979	1.3
95.08599	2.4
97.02888	1.9
97.06507	1.7
103.05492	9.4
105.07043	6.7
107.04942	2.5
109.02902	1.6
109.06553	1.3
115.05428	1.4
117.07018	1.3
119.04967	2.2
121.06510	3.3
121.10190	1.1
122.03671	10.3
122.06062	0.9
123.85661	0.9
128.06200	1.7
130.32468	1.0
131.04945	10.4
133.06502	16.6
133.10094	0.9
135.08061	8.6
137.05988	100.0
145.06474	2.9
147.08095	2.2
149.05936	1.3
151.03902	1.4
151.07536	5.0
157.06450	1.5
163.07558	33.8
165.05568	1.2
165.10289	2.2
171.08015	1.2
175.07562	2.6
177.09221	0.9
183.06577	1.4
189.09106	2.2
191.07111	1.4
192.03279	2.1
203.10663	1.0
204.06570	1.5
227.59262	0.9
248.08316	0.8
263.10675	1.7
267.10031	1.1
272.03333	1.2
273.13559	1.4
287.05524	2.2
295.09625	1.6
295.13260	3.0
297.03976	4.5
299.05426	1.6
302.17487	5.7
312.06479	1.1
315.05005	13.4
315.08545	0.7
317.06552	1.8
327.15747	1.1
330.07385	2.7
345.09729	24.7
345.13431	2.1
346.20163	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	345.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47533	0.8
53.03933	0.9
55.01855	1.0
55.77084	0.9
56.47482	0.7
56.96569	2.0
58.34917	1.0
62.18050	0.8
67.05497	1.7
69.03425	1.4
69.07065	1.4
72.08155	3.1
79.05499	1.6
81.07071	2.1
84.08162	1.2
85.02892	1.1
85.06580	0.9
86.09680	2.1
91.05481	3.6
93.06989	1.1
93.79682	0.8
94.04182	3.0
95.04979	1.3
95.08599	2.4
97.02888	1.9
97.06507	1.7
103.05492	9.4
105.07043	6.7
107.04942	2.5
109.02902	1.6
109.06553	1.3
115.05428	1.4
117.07018	1.3
119.04967	2.2
121.06510	3.3
121.10190	1.1
122.03671	10.3
122.06062	0.9
123.85661	0.9
128.06200	1.7
130.32468	1.0
131.04945	10.4
133.06502	16.6
133.10094	0.9
135.08061	8.6
137.05988	100.0
145.06474	2.9
147.08095	2.2
149.05936	1.3
151.03902	1.4
151.07536	5.0
157.06450	1.5
163.07558	33.8
165.05568	1.2
165.10289	2.2
171.08015	1.2
175.07562	2.6
177.09221	0.9
183.06577	1.4
189.09106	2.2
191.07111	1.4
192.03279	2.1
203.10663	1.0
204.06570	1.5
227.59262	0.9
248.08316	0.8
263.10675	1.7
267.10031	1.1
272.03333	1.2
273.13559	1.4
287.05524	2.2
295.09625	1.6
295.13260	3.0
297.03976	4.5
299.05426	1.6
302.17487	5.7
312.06479	1.1
315.05005	13.4
315.08545	0.7
317.06552	1.8
327.15747	1.1
330.07385	2.7
345.09729	24.7
345.13431	2.1
346.20163	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	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08474	0.5
55.01880	0.6
55.05507	1.2
59.04971	0.6
65.03936	0.7
66.03965	0.5
67.05525	3.1
68.05021	1.1
69.03438	1.3
69.07084	4.6
70.06552	0.9
71.52171	0.6
74.11578	0.5
79.05484	1.6
80.05013	1.0
81.07057	1.1
83.04978	0.5
84.08141	1.9
85.02888	0.8
86.09711	2.3
89.03918	0.9
91.05492	1.4
91.29659	0.5
93.07055	0.9
94.06581	13.0
95.04967	2.4
95.08608	1.2
97.02883	1.3
97.06523	1.3
99.08082	0.8
100.64558	0.5
107.08609	1.4
108.08154	1.3
109.02861	0.5
109.06565	0.7
109.10172	0.9
110.06042	2.1
112.07604	2.3
114.09198	0.7
116.04992	6.3
118.06506	0.7
119.08578	1.2
121.10157	0.6
122.03658	0.7
122.06041	27.2
123.04434	2.0
123.08131	0.6
129.07161	0.6
137.05988	11.3
137.09615	0.7
140.07085	37.0
144.04457	14.0
146.06023	8.6
147.07959	0.6
147.11671	0.6
148.07619	0.7
149.05997	0.8
161.05962	0.7
162.05516	6.3
165.09163	1.2
165.12840	0.7
172.03951	57.4
173.04506	0.8
174.05565	3.4
177.16441	1.4
178.08743	1.0
181.12303	0.7
183.10146	0.7
183.13809	1.3
190.04990	1.8
204.06580	100.0
205.07133	1.3
206.08145	19.7
213.18465	0.5
256.12051	0.6
269.04526	0.7
277.08734	0.6
289.07910	0.6
297.04019	1.0
299.05527	3.4
299.08890	0.7
300.12350	1.7
309.11185	0.6
313.03528	3.0
313.11804	3.3
315.04932	4.3
327.04947	0.8
327.13416	1.5
330.07214	0.8
331.12903	2.3
345.05963	2.9
345.09845	5.5
345.14395	4.5
345.23737	0.8
347.94931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11676	2.1
53.03955	3.2
55.01868	3.8
55.05512	4.7
55.10838	2.0
57.03445	10.3
62.27259	2.0
67.05512	20.3
68.86726	1.9
69.03446	2.8
69.07076	26.4
69.83429	10.8
71.04987	10.8
79.05502	22.7
81.03421	12.5
81.07059	23.2
83.05000	5.7
83.08605	3.3
85.06532	2.5
91.05475	15.0
93.07051	16.6
94.32619	2.0
95.04989	17.9
95.08611	13.7
97.06538	100.0
97.07166	5.1
98.21515	2.2
99.08109	4.4
105.07047	11.7
107.04933	4.5
107.08598	7.5
109.06557	10.0
109.10176	6.9
113.01097	2.2
115.07571	24.4
117.07022	5.2
119.08593	8.7
121.06525	3.1
121.10155	5.1
125.09634	2.3
129.07047	4.6
130.78204	2.4
131.08562	9.3
133.10139	8.0
135.08081	3.9
135.11732	6.6
143.08556	4.8
145.10164	6.2
157.10100	3.1
159.11725	7.1
177.12769	8.4
195.13806	6.2
223.13414	2.7
257.04547	3.1
269.04541	4.8
269.34119	2.2
272.03082	6.7
273.18509	4.2
284.06918	2.5
287.05542	7.1
291.19550	6.1
297.03964	16.9
299.09177	4.8
312.06323	3.1
315.04987	56.8
315.08685	3.0
330.07391	7.7
344.22342	3.4
345.09714	81.5
361.37576	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
68.99793	0.5
69.83652	2.0
88.37633	0.4
98.20809	0.4
118.04151	0.6
119.04922	0.6
121.02856	0.5
133.60974	0.4
139.07553	0.5
153.01805	1.7
163.03845	1.9
167.07010	0.6
169.01297	1.3
178.06262	4.9
179.03375	0.4
188.04724	0.4
200.04675	0.6
204.04115	0.4
216.04253	2.1
227.03409	0.7
229.05038	0.5
231.02893	0.8
231.06683	0.5
241.04962	1.0
243.06561	0.9
244.03644	2.3
255.02858	6.5
257.04321	0.5
259.06033	3.3
269.04477	5.0
271.06082	0.6
272.03168	4.1
281.04568	0.5
283.02368	1.5
283.06015	2.5
284.03354	0.6
284.06793	1.2
287.05524	13.9
297.03952	9.9
298.04532	0.7
299.05515	1.4
300.02652	2.8
301.07053	0.6
311.05515	1.5
312.06271	3.1
313.06995	1.1
314.07843	0.6
315.04996	56.8
316.05435	1.0
329.06345	0.6
330.03748	1.3
330.07330	19.4
331.07239	0.5
345.09708	100.0
346.10010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	Araneol
Peak:m/z	Relative Intensity
55.05486	0.4
67.05484	0.5
69.07047	0.5
70.11716	0.9
70.12112	0.5
71.01355	3.1
79.05482	0.4
81.07053	0.9
83.08582	0.4
84.80603	0.4
95.08578	0.8
105.20987	0.4
107.04940	0.4
109.10155	0.6
118.04149	0.7
119.04916	1.1
119.08549	0.5
121.02875	0.6
132.05669	0.5
147.04375	0.8
153.01855	0.5
159.11563	0.3
160.05235	0.5
166.02666	0.4
169.01332	2.9
188.04666	0.7
193.26639	0.4
197.00719	0.7
200.04730	0.7
213.05515	0.4
216.04175	0.5
240.23187	0.9
241.04863	0.7
241.23520	2.3
242.23892	1.0
244.03609	0.7
257.01468	0.3
257.04422	1.4
258.43811	0.3
269.04501	5.7
272.00284	0.5
272.03198	9.2
283.05945	3.3
284.06744	1.7
285.03931	0.7
286.04758	0.7
287.05515	11.1
297.03958	20.2
299.05551	1.7
300.02643	1.2
301.07187	1.1
311.05502	2.3
312.06235	4.2
315.05005	72.8
316.05365	0.9
329.06631	0.5
330.07352	11.5
344.31714	0.7
345.09711	100.0
346.10052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Araneol
Peak:m/z	Relative Intensity
58.28524	0.4
60.67796	0.5
69.43074	2.9
81.90537	0.4
81.96818	0.4
82.38783	0.4
105.52499	0.4
113.02303	0.5
118.04109	1.1
119.04912	1.1
121.02873	1.0
132.05656	0.7
138.03140	0.5
139.00232	0.5
147.04372	0.6
160.05194	0.7
169.01320	3.3
187.03870	0.4
188.04633	0.5
188.23402	0.4
197.00746	0.8
200.04674	0.9
213.05450	0.5
237.05450	0.5
241.05023	0.6
244.03644	1.3
255.06462	0.4
257.04477	1.3
267.06479	0.6
269.04446	7.2
272.03195	11.5
283.03091	0.6
283.05997	3.7
284.06650	2.1
285.03961	1.0
286.04837	0.5
287.05508	14.0
288.82043	0.4
295.06177	0.7
296.14978	0.5
297.03952	25.3
299.05524	1.3
300.02695	1.9
301.07034	0.6
311.05499	2.1
312.06287	5.0
315.04987	80.6
316.05334	0.7
319.58212	0.4
330.07355	11.1
342.94101	0.5
345.09705	100.0
346.10153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	Araneol
Peak:m/z	Relative Intensity
63.28993	0.3
65.48629	0.3
69.22221	0.9
69.22639	1.9
118.04134	1.2
119.04929	0.8
121.02842	0.6
131.04959	0.3
132.05727	0.6
139.00262	0.3
160.05240	0.3
169.01312	2.1
176.94864	0.3
180.90047	0.3
188.04617	0.4
200.04691	0.7
241.04951	0.4
244.03706	1.1
255.06282	0.3
257.04465	1.3
267.06631	0.6
269.04477	5.8
272.03186	8.9
273.03735	0.3
283.05957	2.6
284.06827	1.0
285.03964	1.1
286.04871	0.4
287.05508	10.4
295.06143	0.4
297.03955	15.7
299.05368	0.8
300.02695	1.8
311.05569	2.1
312.06363	3.7
315.04999	54.9
316.05173	0.5
330.07358	8.2
345.09708	100.0
346.10025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	Araneol
Peak:m/z	Relative Intensity
52.75653	0.2
65.03989	0.2
67.64536	0.2
69.37669	1.5
75.30004	0.2
91.05463	0.3
94.62236	0.3
118.04130	0.9
119.04932	1.3
121.02847	0.7
138.03091	0.3
147.04411	0.4
151.00226	0.4
153.01805	0.7
157.06497	0.3
160.05127	0.6
166.02719	0.3
169.01363	2.8
185.05972	0.3
187.03879	0.3
188.04718	0.6
194.99315	0.2
197.00758	0.4
197.04350	0.3
200.04663	0.7
213.05450	0.4
241.04933	0.7
244.03632	0.9
255.06638	0.3
257.04443	1.0
266.05743	0.4
267.06485	0.4
269.04468	5.3
271.05984	0.2
272.03210	7.7
283.06000	3.8
284.06732	1.7
285.03949	1.1
286.04846	0.5
287.05524	10.0
294.05240	0.4
295.05899	0.4
297.03961	21.3
298.04529	0.5
299.05490	1.0
300.02695	1.7
301.07080	0.4
311.05493	2.1
312.06296	4.3
313.03546	0.3
315.04996	71.1
316.05353	0.9
329.06583	0.4
330.07370	10.3
345.09705	100.0
346.09985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.30851	0.3
65.03942	0.6
67.05503	2.8
68.05032	1.2
68.51861	0.4
68.71954	0.4
69.03440	0.5
69.07076	5.8
69.48218	2.8
73.22590	0.4
79.05498	1.1
80.05033	1.8
81.03402	0.9
81.07082	0.9
86.09680	0.6
89.03926	1.1
91.05486	0.8
93.05807	0.6
93.07069	0.6
94.06576	14.7
95.04978	1.8
96.04513	0.4
97.06551	0.8
105.07062	0.5
107.08632	0.6
108.08150	2.1
109.06491	0.8
110.06046	1.7
112.07612	2.5
114.28632	0.4
116.01664	0.9
116.04989	6.6
118.06522	1.0
119.08624	0.5
122.03634	0.7
122.06038	25.1
123.04442	1.2
131.04939	0.4
133.06508	0.5
134.06007	0.5
137.05991	3.8
140.07074	37.7
141.07866	0.9
142.03227	5.4
144.04457	12.7
145.05112	0.5
146.06023	8.9
148.07535	0.7
158.16280	0.4
162.02229	1.0
162.05521	6.1
163.06302	0.5
163.07538	0.9
167.07004	0.4
167.59160	0.4
170.02742	1.6
172.03947	56.8
173.04231	0.4
174.05498	2.9
177.16306	0.5
178.08658	1.0
190.05016	2.0
204.06575	100.0
205.07124	1.7
206.08136	17.8
206.39745	0.4
245.05966	1.2
262.11169	0.6
267.11200	0.5
269.04486	0.7
272.03030	0.5
287.05621	0.5
297.03976	1.0
300.12317	1.5
301.07092	0.7
302.17383	0.5
313.11853	3.3
315.04929	4.4
327.13412	0.7
331.12964	2.8
345.05621	0.6
345.09647	6.7
345.14352	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	344.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.0
57.15254	2.1
60.04527	8.6
61.02940	11.9
62.87804	2.4
69.03437	73.1
70.06602	3.9
70.85600	3.6
70.85918	3.3
72.08132	3.7
72.76998	2.2
73.02909	5.1
73.77071	2.7
81.03432	5.9
82.06571	3.3
85.02916	74.6
87.04478	61.3
91.03964	4.3
97.02901	61.6
100.07615	9.7
101.00838	2.5
106.05028	5.3
108.33934	2.7
109.02868	6.0
115.03942	83.5
116.07082	5.3
119.01943	5.3
127.03915	11.9
133.04977	100.0
137.02646	3.8
141.83684	2.4
143.02002	2.6
145.04967	36.3
146.08124	6.5
150.07637	10.2
156.97430	3.3
158.06644	2.3
163.06004	15.7
179.02046	2.7
182.04980	8.8
182.08272	3.2
185.03008	3.5
186.03075	4.4
189.49149	2.6
192.05199	2.5
202.04019	4.9
216.03749	6.1
223.06158	4.6
225.06844	2.7
259.08209	6.1
275.25943	2.3
295.10220	3.9
326.08023	3.0
344.08740	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	344.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	1.5
60.87572	0.5
69.03433	0.9
69.49179	2.8
69.49583	1.0
70.06593	1.3
71.04984	0.5
73.02920	0.7
79.05518	0.5
80.21913	0.5
81.03410	0.6
82.06583	0.6
84.08145	0.6
85.02920	1.6
86.09718	1.4
87.04472	2.8
88.04021	0.5
89.06038	100.0
91.05492	1.6
93.06987	0.6
93.66787	0.5
97.02889	1.2
106.02933	1.2
107.07083	1.0
115.03939	1.0
116.07116	0.7
119.07349	0.7
119.08605	0.7
124.03993	1.8
127.03946	0.7
130.32901	0.5
131.07088	0.7
133.08614	61.5
134.09117	0.5
136.07571	5.8
147.04500	0.8
151.09808	0.6
159.71844	0.5
168.88800	0.6
177.11241	19.2
179.12921	0.5
182.08186	3.5
182.11821	0.6
187.21599	0.5
195.12265	1.4
208.37393	0.5
209.08273	0.5
221.13853	3.3
231.71077	0.5
239.14882	2.8
265.16422	0.6
283.17554	2.7
309.18927	0.5
327.20163	47.5
328.20517	1.0
332.47180	0.5
344.14920	0.9
344.23837	0.7
345.11743	0.6
351.15634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.1
57.03437	23.0
59.04992	5.3
61.02923	4.8
69.03436	74.6
69.82705	4.0
69.83057	10.0
70.06585	5.2
73.02909	5.8
75.04485	2.3
81.03399	7.3
84.08155	4.1
85.02438	2.5
85.02905	69.9
87.04468	61.0
90.01900	2.2
96.04475	2.5
97.02892	56.0
98.97570	8.3
99.04457	4.3
107.05010	2.9
108.96535	2.3
109.02866	5.6
110.97548	2.5
112.07620	13.2
115.03933	84.0
119.04957	2.2
121.02827	2.8
122.06036	4.5
123.04459	2.3
124.03967	9.4
127.03920	21.1
130.08626	5.2
133.04974	100.0
136.07582	5.5
140.05571	6.1
140.07095	5.4
142.03714	2.4
143.00223	2.6
145.04970	32.1
147.04448	6.6
150.07635	8.5
151.03946	3.3
151.09639	3.8
151.50143	2.2
152.04211	3.9
154.08632	3.1
158.06641	25.4
163.06026	13.7
164.07071	3.8
168.06615	1.9
170.06667	4.8
176.07703	8.2
181.55908	2.2
182.04997	6.5
182.08119	12.2
188.07719	10.6
195.08784	3.1
212.06177	6.2
212.07938	2.6
212.56371	2.6
215.05138	10.8
219.01849	3.9
225.10823	8.9
227.06694	3.9
233.06207	31.9
237.02727	3.8
238.09335	6.0
243.11885	2.8
249.06114	4.1
251.04274	2.8
251.12399	29.4
259.08344	4.0
263.12408	17.4
269.13348	13.6
281.13461	65.8
326.08267	2.4
344.09152	14.3
344.13037	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	344.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
59.05001	0.3
61.02924	0.8
65.03862	0.3
68.44186	0.3
69.03434	3.3
69.71690	0.3
70.06586	0.7
71.01345	0.3
71.05001	0.4
72.08180	0.3
72.09882	0.2
72.64065	0.2
73.02925	0.4
81.03415	0.7
85.02911	7.9
87.04456	0.8
91.05485	1.3
94.02896	0.6
95.04964	0.4
97.02909	2.3
99.04467	0.4
107.03592	0.4
109.02884	1.0
115.03938	0.9
119.04956	5.2
121.02880	0.5
123.04432	1.1
127.03922	1.7
129.49942	0.3
133.05013	1.3
134.04631	6.7
136.06172	0.5
137.06000	0.4
140.02750	0.6
145.04967	1.2
147.04422	34.3
152.04637	0.3
152.05673	1.9
152.06839	0.4
156.53833	0.3
164.07085	0.4
165.02443	2.3
165.05492	16.7
165.11140	0.3
167.02617	1.1
180.08684	0.6
182.04977	100.0
182.97566	0.3
183.05161	0.5
344.10248	25.3
345.10397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59960	0.4
53.03973	0.7
55.01902	0.4
57.03448	0.5
57.53502	0.4
61.02947	1.5
62.20986	0.4
62.42056	0.4
69.03433	4.3
69.40056	0.9
69.40469	2.3
70.06616	0.7
73.02939	0.9
81.03436	1.1
85.02918	16.2
91.03964	0.5
91.05492	4.2
97.02895	3.5
99.04492	0.5
109.02916	1.7
109.60509	0.4
115.03981	0.5
119.04967	18.1
123.04436	2.2
127.03930	3.1
145.04984	4.1
147.04434	100.0
148.04842	0.5
149.45404	0.4
153.11180	0.4
165.05501	56.2
180.08698	2.2
182.08185	1.3
183.27872	0.4
215.49713	0.4
296.59143	0.4
309.09613	0.7
315.88806	0.6
344.13306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.93489	1.1
53.03944	4.1
55.01865	5.6
55.05518	15.5
57.03441	7.8
57.07085	8.3
59.05002	5.1
64.25992	1.2
65.03936	2.2
67.05178	1.9
67.05509	23.5
69.03442	7.8
69.07077	5.1
71.04998	17.6
71.25697	2.4
72.75566	1.4
79.05503	20.2
80.80425	1.4
81.03426	2.8
81.07066	26.7
83.04982	5.8
83.08624	3.3
85.06539	5.2
91.05486	29.2
93.07050	61.0
95.04980	49.7
95.08614	69.5
97.06536	17.0
105.04508	1.5
105.07042	74.9
107.04984	3.4
107.08600	44.6
109.06527	14.5
109.10147	4.0
111.08076	2.1
115.05455	4.7
116.06219	1.6
117.07033	26.9
119.04945	1.5
119.06118	1.4
119.08586	23.7
121.06505	13.3
121.10154	15.8
122.07286	1.8
123.08080	23.1
125.09686	1.2
127.32393	1.3
128.06232	3.5
129.07048	6.6
130.07814	14.4
131.08571	9.5
133.06520	6.1
133.10146	16.1
135.08076	20.9
135.11688	12.5
137.05956	2.3
137.09647	5.5
141.07028	2.6
142.07802	4.7
143.08575	9.3
144.09343	1.8
145.06534	3.2
145.10136	72.1
147.08063	11.3
147.11691	6.0
149.09630	5.6
151.07565	36.8
151.11191	1.5
153.09149	4.0
155.08592	2.8
155.10648	1.4
156.09357	3.6
157.10135	11.7
159.08070	3.1
159.11693	10.5
161.09610	7.1
161.13235	3.5
163.07573	1.8
163.11192	50.8
163.12567	2.8
165.09122	13.9
167.08615	2.2
169.10170	4.7
171.11667	6.5
173.09634	3.9
173.13248	3.1
174.10414	1.3
175.11229	6.5
177.09135	5.4
179.07056	2.8
179.08496	1.6
181.10107	3.4
181.12280	4.1
182.11006	1.3
183.11708	4.5
185.13277	5.2
187.11215	5.7
189.12680	7.5
191.10701	2.3
191.14333	2.8
193.10246	1.7
194.10834	2.0
195.11713	1.9
197.13304	3.5
199.11253	1.7
199.14745	2.1
201.12712	2.2
201.16484	1.3
203.14301	9.1
207.10201	3.3
207.11969	2.2
207.13676	6.2
209.13509	2.7
209.15411	4.8
213.12724	1.6
213.16174	1.2
215.14255	3.5
217.12317	2.6
221.15392	28.2
223.14844	1.5
225.12749	1.8
225.16510	1.8
233.15462	4.7
234.69298	1.4
240.23207	6.2
241.15898	3.5
245.15599	1.7
251.14333	1.7
263.16370	5.9
269.15512	3.3
271.17114	1.7
274.19458	1.7
286.19299	4.4
287.16705	1.7
287.20151	1.3
307.20581	2.5
325.21533	11.4
343.08017	2.8
343.22708	100.0
344.23013	2.2
347.66931	1.3
354.41611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	5.9
55.01869	5.3
55.05305	1.7
55.05514	17.3
57.03442	9.5
57.07072	11.3
59.04996	3.8
67.05506	20.4
69.03425	7.0
69.07059	8.2
70.03052	9.1
71.05002	15.6
79.05497	21.3
81.07060	29.6
83.04976	5.8
83.08604	2.7
85.06540	3.5
91.05486	31.8
93.07051	56.1
95.04386	2.5
95.04977	45.8
95.08611	68.3
97.06541	14.8
98.20862	2.4
105.07038	66.5
107.04956	3.4
107.08596	44.1
109.06523	14.4
109.10139	6.6
115.05459	5.5
117.07034	23.6
119.08600	23.9
121.06537	11.9
121.10129	13.2
123.08064	20.1
125.05977	2.1
128.06216	4.4
129.07021	5.2
130.07811	16.2
131.08601	9.7
133.06514	5.4
133.10143	13.4
135.04462	2.0
135.08086	21.0
135.11681	11.3
137.05939	2.0
137.09639	4.5
142.07753	3.1
143.08586	9.5
145.10139	70.4
147.08041	11.8
147.11678	2.7
149.09654	5.3
151.07545	34.0
153.09103	4.7
155.08588	4.4
156.09386	3.6
157.10098	7.3
159.08075	4.6
159.11687	5.8
161.09612	8.5
161.13297	4.4
163.07521	2.8
163.11188	54.3
165.09135	18.3
169.10150	3.9
171.11835	3.4
173.09618	4.1
173.13153	3.7
175.11147	4.1
177.09128	5.8
179.07025	2.9
181.10173	2.2
181.12196	2.2
183.11703	3.1
185.13316	3.3
187.11244	4.3
189.09128	2.6
189.12698	9.3
195.11742	3.3
197.13219	3.3
203.14354	6.7
207.11807	2.8
207.13791	4.9
209.13464	2.6
209.15382	3.4
215.14404	2.9
217.12308	3.9
221.15349	23.1
233.15427	2.2
240.23232	14.5
262.50781	1.9
263.16330	7.4
269.15414	2.3
286.19348	5.2
325.21692	9.4
335.98776	2.1
343.22708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06788	2.3
53.03941	2.9
55.05511	25.4
57.02450	1.9
57.07074	8.9
59.25623	2.2
66.96797	2.2
67.05509	32.3
69.07072	60.9
69.22751	16.3
71.04983	4.2
79.05493	24.3
81.07061	100.0
83.05059	2.4
83.08613	11.6
85.06548	25.1
91.05483	14.7
93.07055	34.8
95.04972	6.9
95.08614	79.7
97.06547	7.3
97.10155	7.9
99.08094	18.4
105.04542	2.5
105.07030	30.7
107.08602	35.3
109.06534	3.7
109.10160	40.8
111.08083	4.3
111.11698	13.9
113.09655	2.9
117.07052	3.5
119.08592	22.4
121.06394	2.3
121.10145	31.6
122.35031	2.3
123.11699	22.4
125.09654	5.3
127.11207	5.0
131.08566	5.9
133.10146	15.5
135.11690	36.2
137.05959	3.1
137.09605	4.2
137.13228	6.6
139.11212	12.6
145.10141	7.8
147.11707	17.8
149.13264	13.0
151.14778	2.7
153.05461	2.8
153.12729	10.8
155.10715	4.5
157.12268	2.9
159.11668	13.1
161.13268	12.4
163.14859	9.1
165.12769	6.7
173.13353	3.5
175.14815	7.3
177.16411	13.3
179.17928	2.2
181.04991	3.1
187.14752	2.7
189.16367	5.1
195.17422	11.3
201.16266	2.6
213.18472	9.0
215.17844	2.8
233.19026	3.1
242.85779	2.7
271.24261	4.3
276.32663	2.3
277.25394	10.5
289.25186	18.3
295.26401	6.9
307.26358	12.8
325.27277	6.3
343.08142	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01864	5.6
55.05514	11.4
57.03429	4.8
57.07066	5.9
59.04991	3.8
67.05511	16.6
69.03433	6.9
69.07059	5.3
69.76933	3.6
69.77340	5.2
71.04993	13.7
79.05080	1.4
79.05498	16.8
81.03426	2.0
81.07063	19.7
83.04974	5.4
83.08629	2.9
85.06527	2.3
91.05487	22.1
93.07054	43.4
95.04978	36.5
95.08614	52.0
97.06540	11.1
103.05482	2.6
105.07040	52.6
107.04986	2.5
107.08600	38.4
108.55545	1.5
109.06542	10.6
109.10155	3.9
115.05447	4.9
115.58819	1.3
117.07022	19.3
119.08602	17.9
121.06512	10.1
121.10152	11.8
122.07292	1.5
123.08064	20.3
128.06207	1.8
129.07063	3.3
130.07788	12.1
131.08572	7.1
133.06500	4.6
133.10124	9.3
135.08046	15.7
135.11690	9.6
137.09630	5.3
142.07858	1.4
143.08569	7.9
145.06448	2.3
145.10130	60.6
147.08032	9.1
147.11679	4.7
149.09624	4.3
151.07561	37.3
151.08626	1.2
153.09093	2.6
155.08453	1.6
155.10646	1.6
156.09277	2.0
157.10109	7.4
157.48558	1.6
159.08104	2.1
159.11725	6.0
161.09618	6.5
161.13223	2.7
163.11191	47.5
163.35976	1.4
165.09116	9.6
169.10121	2.1
171.11710	5.8
173.09561	3.1
173.13252	3.1
175.11223	4.5
177.09091	2.4
177.12918	1.8
179.07028	4.0
181.12328	2.4
182.10994	1.4
183.11781	3.0
185.13229	1.8
187.11150	4.1
189.12750	5.5
191.10690	2.9
191.14308	1.7
195.11662	1.7
197.13335	2.7
203.14336	7.4
207.10181	2.8
207.13881	6.5
209.13301	2.2
209.15364	3.7
213.12807	2.1
215.14397	2.8
221.13261	1.5
221.15358	24.8
223.14844	1.8
225.12769	2.1
233.15488	5.0
240.23225	2.6
263.16473	5.6
269.15417	3.2
279.33865	1.6
286.19424	2.5
287.20016	1.7
325.21658	10.8
343.08313	2.3
343.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2272
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.43174	1.4
53.03947	5.8
54.20651	1.5
55.01871	4.5
55.05514	14.6
57.03440	4.1
57.07080	7.6
59.05011	5.2
65.03946	2.6
66.75490	1.4
67.05183	1.8
67.05515	20.6
69.03438	10.6
69.07077	6.5
70.77806	3.5
71.05009	15.1
73.69704	1.3
79.05514	18.3
81.03428	3.6
81.07069	22.9
83.04977	6.2
83.08628	3.7
85.06548	3.8
91.05488	29.0
93.07052	57.4
95.04984	45.5
95.08617	63.7
97.06535	15.3
103.05483	2.6
105.04498	1.8
105.07046	59.9
107.04957	4.2
107.08608	44.4
109.06502	11.7
109.10184	5.1
115.05455	3.9
117.07034	22.7
119.04989	1.7
119.08593	20.7
121.06485	11.3
121.10156	18.2
123.08096	19.3
128.06215	2.5
129.07025	5.9
130.07803	15.0
131.08574	6.7
133.06512	5.6
133.10156	13.7
135.08064	16.6
135.11713	13.0
137.09650	5.3
142.07829	3.7
143.08614	7.9
145.10139	66.5
147.08122	8.4
147.11676	3.8
149.09630	3.9
151.07571	39.1
153.09135	2.9
155.08592	2.7
155.10744	2.0
156.09306	2.4
157.10129	8.2
159.08054	2.4
159.11736	9.2
161.09673	7.3
161.13300	3.1
163.11203	52.2
165.06927	1.8
165.09122	13.7
167.08502	2.3
169.10129	4.0
171.11737	5.3
173.09666	3.0
173.13318	3.8
175.11214	4.2
177.09183	5.7
179.07068	4.5
179.08571	2.6
181.10126	3.0
181.12247	3.3
182.10957	1.8
183.11743	2.8
185.13297	1.8
187.11227	4.2
187.14853	2.6
189.12770	8.2
191.14348	3.0
195.11780	3.0
197.13310	5.3
201.12694	2.6
203.14397	6.7
207.13832	4.3
209.13391	1.6
209.15439	5.1
210.01797	1.6
211.11282	1.7
215.14294	3.9
217.12297	1.8
221.15379	27.5
223.14807	2.1
225.12804	2.2
225.16310	1.7
233.15422	3.8
240.23344	2.4
241.15860	2.3
245.15363	2.7
251.14124	2.0
263.16589	7.2
269.15396	3.5
286.19226	2.9
287.16473	2.4
307.20618	2.0
325.21643	10.2
343.22729	100.0
344.23126	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	343.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66656	0.6
70.51131	0.7
70.51466	1.3
88.21613	0.7
98.97604	3.7
116.98735	1.0
158.99893	1.3
171.26237	0.8
177.00958	4.2
198.97844	1.5
201.00946	1.2
215.93764	0.7
216.98999	5.7
218.98517	0.9
219.02039	8.4
220.02054	1.2
221.01836	0.8
222.97908	1.5
234.99962	7.2
240.96669	1.1
240.98996	14.8
243.02116	1.4
253.00977	1.0
259.00049	33.8
260.00143	2.7
261.00598	1.4
261.03159	8.3
264.98767	3.4
273.98709	1.4
276.98001	0.9
277.01102	11.4
278.00970	1.2
283.00043	100.0
284.00101	5.9
291.99603	0.8
300.98032	4.1
301.01096	91.9
302.01178	5.6
303.01074	1.6
318.98611	2.2
319.02151	3.2
319.97864	1.0
324.02655	1.9
324.09625	0.6
325.01120	19.7
343.02182	69.5
344.02280	2.9
360.99579	1.2
361.03302	12.3
366.03671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.01888	3.4
57.03431	1.4
65.03943	1.5
69.03435	2.7
70.06603	2.2
71.50584	1.2
72.08165	0.9
73.02940	1.4
76.93085	0.7
79.05505	6.0
81.03429	3.0
81.07058	1.9
84.08129	1.4
85.02921	3.6
86.09696	1.1
91.05494	3.1
91.47474	0.6
91.57905	0.6
94.04213	1.4
94.54748	0.8
95.04979	1.5
97.02901	2.9
103.05492	5.1
105.07050	56.7
109.06534	2.1
110.06065	1.1
110.07227	0.9
111.04440	0.8
115.03967	0.7
116.07030	0.9
116.28857	0.8
117.09173	4.7
118.09481	3.3
119.04990	1.4
121.02872	0.7
121.06548	0.8
122.03685	5.7
123.04462	0.8
124.05209	1.1
125.02402	0.7
127.03945	2.1
131.04932	1.2
133.06519	100.0
137.06003	80.1
140.07091	1.6
147.04453	9.7
151.03944	20.2
151.05115	1.6
151.07564	2.3
163.09763	0.8
164.10011	0.8
165.05530	4.4
165.09146	48.0
168.06668	1.4
177.05519	1.2
181.05016	3.5
198.96967	2.0
216.98016	1.2
228.31651	0.8
364.86276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09970	0.4
52.43354	0.5
53.03956	1.9
55.01863	1.5
55.05511	1.1
57.03450	2.3
57.03670	0.3
57.07065	1.6
58.05804	0.3
59.04970	0.5
61.02935	3.7
65.03922	0.6
67.05502	1.1
67.73740	0.4
68.97635	0.4
69.03433	12.5
69.07059	1.1
70.06581	0.4
70.81058	0.7
71.04989	2.4
73.02903	1.6
73.20998	0.3
73.74607	0.4
79.05504	3.6
81.03423	4.6
81.07058	9.1
83.04990	5.4
85.02912	30.0
86.09740	0.6
87.04455	1.6
88.13741	0.3
91.03979	2.1
91.05479	4.1
93.07048	9.3
95.04374	0.9
95.04976	16.5
95.08610	1.1
97.02899	9.1
97.06519	2.8
99.04469	2.4
103.03948	1.1
103.05435	0.7
105.04543	0.4
105.07037	8.2
107.04974	0.6
107.08604	11.1
109.02869	3.9
109.06544	2.3
109.10177	0.7
115.05455	0.5
116.07043	0.4
117.07023	3.0
119.04930	0.5
119.08585	5.2
121.06516	3.5
121.10151	12.3
123.08076	1.1
125.05995	11.2
127.03921	7.0
128.06216	0.4
129.07025	0.5
130.07829	2.5
133.02913	0.5
133.06496	1.4
133.10147	1.1
135.08116	1.0
135.11705	7.4
137.05975	1.6
137.09731	0.5
143.08539	1.1
145.04971	7.5
145.10136	18.0
147.08034	1.5
148.08804	0.5
149.06003	0.8
151.07515	0.5
161.09613	1.3
163.11186	100.0
165.09125	1.0
167.07051	1.1
173.09698	0.5
175.11203	1.5
181.05067	1.8
181.06375	0.4
181.08606	0.5
181.12245	15.4
183.10161	1.5
187.11209	0.9
191.10690	0.5
193.12334	0.6
201.05328	0.4
201.11201	0.6
205.12230	1.8
211.09686	0.6
219.06487	0.5
223.13332	1.0
245.75737	0.5
283.09235	0.4
289.14285	0.7
307.09717	0.4
307.15369	1.7
325.10568	1.2
325.16431	0.9
343.13251	0.6
343.17487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72672	4.2
53.03942	12.2
55.01894	4.7
55.05297	4.6
55.05519	43.1
57.03424	9.1
59.04989	5.9
67.05514	96.0
67.85387	4.7
68.99658	4.6
69.03415	6.0
69.07065	35.6
69.80604	21.3
71.04990	12.1
79.05507	100.0
81.03429	11.4
81.07065	64.7
83.04971	9.1
83.08614	21.4
91.05479	56.5
93.07047	81.7
95.04972	31.3
95.08620	63.4
97.06522	12.2
97.10158	22.9
98.20741	5.9
105.07050	50.3
107.08613	52.2
109.06527	10.5
109.10178	49.2
111.08059	8.7
119.08598	37.7
121.06528	5.0
121.10161	66.1
123.11713	5.4
125.09637	23.8
131.08553	17.8
133.10101	21.0
135.08041	11.9
135.11699	9.0
137.09666	16.3
139.11224	8.0
145.10135	20.0
147.11717	26.8
149.09631	9.2
153.09116	5.5
155.10681	10.8
159.11711	16.4
161.13280	8.6
169.10075	5.8
171.11682	7.6
173.11792	49.4
173.13196	9.1
187.13382	13.1
193.12248	10.6
203.12808	12.6
204.48982	4.8
226.13058	5.3
239.18016	8.1
257.19205	6.4
275.20120	34.8
289.21545	5.5
307.22708	6.4
363.97546	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80526	4.2
52.87917	3.9
55.01865	12.0
55.05510	48.8
60.04519	3.8
67.05508	27.6
67.06953	3.8
69.03437	7.8
69.07066	58.4
71.51827	4.5
71.52328	5.2
79.05514	38.6
81.07049	21.9
83.04962	8.0
83.08614	32.7
85.55470	4.2
88.07648	6.4
91.05495	21.0
93.07047	27.6
95.04983	6.3
95.08614	17.7
97.06530	13.6
97.10177	66.7
105.07040	14.7
107.04935	6.7
107.08604	93.1
111.08101	5.5
117.06989	6.2
119.08566	8.9
121.10172	5.1
123.08089	4.8
125.09630	81.0
133.10150	8.7
135.08073	18.4
139.55003	4.5
145.10138	16.6
147.11688	6.2
149.09624	5.7
153.09125	16.5
161.13313	4.5
173.13208	7.9
181.12440	4.7
185.13216	4.9
203.12788	100.0
216.04677	4.6
257.18942	13.9
275.20102	60.5
289.21701	22.9
307.22705	18.4
342.17139	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	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90046	0.6
53.03937	0.9
55.05517	7.5
57.03423	0.9
57.07078	10.4
59.04985	0.7
61.02919	1.2
69.03093	0.6
69.03421	3.8
69.07062	1.3
69.43363	3.3
69.43770	1.3
70.06594	3.8
73.02904	0.7
75.52243	0.5
81.03407	2.4
81.03875	0.6
83.08619	3.0
85.02910	13.6
86.09696	1.0
87.04459	1.2
89.06038	31.8
91.05447	0.6
93.07070	1.3
97.02897	4.2
101.09657	14.4
106.32106	0.6
107.07076	32.0
107.08601	1.0
109.02917	0.8
119.04918	0.9
121.10143	1.0
124.67299	0.6
127.03917	2.6
130.08653	2.6
137.05965	1.0
139.08231	0.6
142.12418	0.8
145.04971	2.0
145.12276	0.9
147.04414	2.1
148.04770	2.6
162.41667	0.7
163.13306	100.0
164.13608	1.0
175.07475	0.7
180.06596	0.8
183.14970	0.7
211.14415	0.8
264.36017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39367	14.0
55.01873	16.5
55.05518	82.2
57.03447	30.8
59.05015	15.0
63.24728	14.3
67.05515	89.9
69.03439	32.2
69.07077	62.2
71.03637	25.4
71.04984	36.5
79.05501	78.5
81.03442	36.0
81.07069	71.8
83.04991	19.9
83.08631	49.3
84.47700	12.8
91.05492	59.9
93.07059	55.5
95.01364	20.8
95.04978	49.8
95.08623	42.0
97.06545	51.9
97.10187	56.8
105.07043	51.0
107.04978	41.5
107.08612	54.7
109.02911	16.4
109.06535	32.0
109.10164	21.3
113.06001	16.4
117.07030	18.2
119.08578	37.5
121.02866	49.1
121.06558	37.1
121.10170	22.6
123.04437	18.7
125.09658	52.9
129.06967	16.4
133.06488	14.3
133.10175	28.6
135.08067	24.3
137.05952	16.1
137.09636	27.4
143.08618	14.0
147.08035	24.1
147.11728	34.6
159.08084	100.0
162.68452	13.2
175.11267	17.2
175.91792	15.5
178.95180	13.6
185.09758	16.8
189.11240	54.6
193.12230	29.2
211.13258	18.4
221.11760	63.1
233.15488	20.5
237.14870	19.5
238.41725	16.1
239.12859	40.5
253.15782	14.9
262.16501	13.2
265.08636	17.4
271.16904	24.2
289.18045	62.5
342.07053	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76168	0.9
53.03939	2.1
55.01864	2.3
55.05515	17.2
57.03427	2.1
57.07058	2.5
58.02269	1.0
59.04993	4.2
62.09085	0.9
65.03913	1.0
67.05508	8.7
69.03411	2.3
69.07072	100.0
69.41413	0.8
71.05003	1.7
77.93629	0.9
79.05505	10.3
81.03410	1.8
81.07069	24.4
83.04985	2.4
83.08613	3.8
84.24968	0.8
85.06532	3.0
91.05482	18.8
93.07047	25.3
95.04980	4.4
95.08607	18.9
97.06544	7.1
97.10183	3.2
99.04434	1.8
99.08092	1.8
100.11234	3.9
103.05441	1.1
105.07034	34.7
107.04970	2.0
107.08596	14.1
109.06519	2.9
109.10163	12.8
111.08056	2.1
111.11040	1.8
111.11736	23.8
113.09615	1.2
117.06997	2.8
117.13927	0.9
119.08586	15.3
121.06477	1.0
121.10148	37.9
122.03634	1.0
123.08096	1.8
123.11710	6.4
125.09658	1.3
129.06964	2.0
129.12750	2.1
131.04890	2.1
131.08577	6.3
133.10138	83.2
135.08052	1.8
135.11700	5.5
137.05998	13.6
137.09644	1.3
137.13211	2.1
137.77835	0.9
139.11185	16.1
142.07788	2.8
143.08542	2.4
145.10117	7.0
147.11682	8.6
149.09619	1.8
149.13255	10.1
151.11195	5.1
157.10164	5.4
157.12309	1.4
159.11684	7.1
161.06024	1.8
161.13257	2.2
163.11060	1.1
163.14784	1.4
165.12816	1.1
167.07060	2.0
167.14294	1.6
171.11642	1.2
173.13249	2.5
175.07591	2.3
175.11153	4.9
175.14830	2.7
177.05461	2.4
177.16368	1.4
185.13248	2.1
187.07561	3.2
187.14850	2.0
189.09158	1.5
189.16458	1.4
191.07021	1.4
191.08548	1.6
199.14861	1.8
203.08585	1.7
210.14838	1.1
213.67754	1.0
217.08592	2.1
219.08015	1.3
227.17754	1.7
231.08055	1.4
247.07434	1.2
248.08206	1.3
249.09177	1.8
251.10704	2.2
263.10568	1.2
269.22614	1.5
275.23700	6.2
277.08655	1.2
277.23010	2.7
281.11761	2.4
287.23700	4.0
291.10208	3.2
305.24582	4.6
309.11240	2.9
311.12613	1.2
323.12723	2.9
323.25693	2.2
341.06491	1.8
341.14059	5.2
341.26938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36020	2.6
55.05514	51.4
57.07078	48.2
57.13813	2.8
63.53264	3.6
67.05505	20.2
69.07077	100.0
69.47167	2.7
71.04977	3.3
71.08635	35.9
71.52184	3.5
73.06561	3.1
75.45655	3.0
77.75324	2.6
79.05494	8.8
81.07057	49.3
83.04981	2.9
83.08626	80.9
85.06552	8.4
85.08224	2.6
85.10193	17.8
90.26554	2.6
91.05479	5.5
93.07054	13.0
95.08624	50.0
97.06527	12.9
97.10176	55.0
99.11742	6.8
101.20781	2.8
105.07020	13.8
107.08617	15.7
109.06529	4.6
109.10167	31.8
111.08104	9.4
111.11724	36.5
112.19972	3.1
115.07573	8.2
119.08550	14.3
121.10143	17.7
123.08064	6.6
123.11710	15.4
125.09627	5.8
125.13314	15.5
125.14106	3.3
127.07570	4.5
129.07047	3.8
129.09111	9.5
131.08583	3.1
133.10146	11.6
135.11720	17.3
137.05968	4.6
137.09608	5.5
137.13269	10.6
139.11179	7.9
139.14827	9.5
141.09070	5.9
145.35376	3.2
147.11671	14.5
149.13275	10.6
151.11209	8.3
153.12726	6.9
155.10638	3.4
161.13264	9.4
163.14841	3.5
165.12785	11.1
167.14259	6.1
169.12308	4.4
175.14803	6.9
177.16475	3.5
179.14351	19.9
183.13850	7.7
189.16536	3.6
193.15878	7.9
197.15356	4.3
205.19514	3.6
207.17581	3.2
217.19641	4.8
221.19122	6.5
223.20564	3.1
235.20570	4.4
241.21829	3.6
263.27341	6.7
283.80801	3.1
287.27356	7.6
305.28378	18.0
323.29514	3.2
341.26740	12.2
342.37262	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	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52510	1.1
55.01873	1.4
55.05519	8.2
55.19667	1.0
57.03419	1.4
57.07058	3.8
58.49722	0.9
65.03927	1.8
66.21165	1.3
67.05508	14.9
69.03423	3.9
69.07082	6.4
70.05991	3.2
71.04977	3.0
71.08629	11.5
73.51311	1.0
75.68613	1.1
79.05501	10.4
81.07063	15.2
83.04977	4.0
85.06525	2.5
91.05488	9.7
93.07043	20.1
95.05003	5.0
95.08623	14.2
96.05741	2.3
97.02898	13.5
97.06547	6.7
97.10176	1.5
99.08083	6.2
105.04525	1.3
105.07027	8.0
107.08591	7.4
109.06559	5.9
109.07166	1.1
109.10139	4.0
110.07313	1.4
111.04449	14.1
111.08082	1.9
113.05995	3.2
113.09662	1.0
117.06980	1.4
119.08552	5.4
121.06512	13.9
121.10155	13.6
123.04425	3.2
123.08080	5.7
123.11713	2.9
124.05228	1.8
125.06022	2.3
129.07043	1.4
131.08568	13.3
133.10129	3.7
135.08022	3.5
135.11716	1.3
137.05969	3.5
137.09557	2.8
139.11198	2.3
143.08632	1.6
145.10126	1.9
147.08072	1.5
147.11615	1.6
149.05971	1.0
149.09618	14.4
151.11198	1.8
157.06494	1.1
157.10027	1.7
159.11757	1.2
161.09581	1.5
161.13246	3.5
163.11171	1.9
165.12743	8.1
167.10695	3.7
168.11475	1.5
171.11626	1.7
177.12720	1.1
179.14288	3.4
181.12245	100.0
182.12689	1.1
189.12817	1.9
191.12500	1.0
191.14336	3.0
193.12157	1.5
207.13786	3.1
207.74712	1.1
213.12753	1.8
225.14854	1.6
241.19621	1.2
287.20096	1.3
305.21097	11.7
306.21695	1.2
307.22641	4.1
323.22183	3.4
324.23093	1.9
341.10379	1.2
341.21011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53164	0.9
53.03954	1.0
55.01891	0.9
55.05504	1.2
57.07083	2.4
59.04992	1.9
65.03934	1.1
67.05533	4.8
69.03419	3.3
69.07075	1.3
70.06599	1.6
71.04991	1.3
71.51183	1.0
71.51570	1.2
79.05499	8.4
81.07073	18.7
83.04971	4.3
84.08151	1.2
84.29893	0.9
85.02930	2.0
87.04480	1.1
89.78156	1.0
91.05482	5.6
93.03422	0.9
93.07060	19.0
95.04984	2.6
95.08635	8.6
97.02908	2.4
97.06558	2.3
103.05503	1.6
104.25182	0.9
105.07042	12.1
107.04978	2.4
107.08620	11.6
109.06543	3.6
109.10167	1.2
111.04456	3.1
111.08090	1.2
112.02171	1.0
115.03932	1.1
119.08582	3.0
121.02918	1.0
121.06558	2.6
121.10165	100.0
123.08102	1.8
123.11729	30.0
124.07634	1.9
125.06007	3.2
129.05508	1.6
131.08563	2.6
133.06532	1.3
133.07594	1.0
135.04404	1.0
137.05997	8.1
139.11240	6.2
139.12175	1.2
143.08647	0.9
143.94029	0.8
147.04413	1.1
149.06007	1.0
149.09653	28.9
151.09602	0.8
161.06036	1.9
161.09648	1.3
167.10703	45.2
172.92136	1.1
175.07596	1.2
177.05525	1.4
178.15987	1.0
184.69615	0.8
187.07588	3.2
189.09088	1.0
195.08119	1.0
203.08562	1.3
231.08095	1.2
247.07732	1.1
248.08246	1.3
249.09076	1.0
251.10690	1.3
259.10809	1.8
265.08640	1.3
271.09521	1.5
279.10245	2.7
281.11871	1.0
291.10080	2.1
297.11307	1.4
309.11267	1.9
311.12726	1.8
323.12473	2.3
341.06464	1.3
341.10162	2.1
341.13956	3.3
341.16260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86486	0.9
53.03945	4.2
55.01870	1.0
55.05517	5.0
57.03432	3.5
65.03954	1.4
67.05527	4.1
69.03420	3.8
69.07074	1.9
70.06573	1.3
70.33561	3.3
72.49644	0.8
73.02936	0.9
75.04499	8.5
79.05507	20.4
79.05964	1.4
81.03410	1.4
81.07077	6.3
83.05006	5.1
85.02891	1.8
86.09721	1.1
91.05490	14.5
93.03403	2.1
93.07057	100.0
94.04166	1.1
95.04968	4.2
95.08630	4.2
97.06549	0.9
99.04431	1.0
103.05460	1.6
105.04568	1.5
105.07047	9.1
107.04949	1.1
107.08613	20.3
108.15070	1.0
109.10181	1.2
110.07132	0.9
111.04453	5.0
111.08109	6.5
113.75862	0.9
115.05502	1.4
116.06205	0.9
119.08569	3.1
120.88682	0.8
121.02867	1.2
121.06542	1.6
121.10159	90.6
122.03696	1.0
123.11753	1.1
128.06235	0.9
129.05482	1.2
131.08571	3.4
133.06540	0.9
133.07593	1.0
133.10083	0.9
137.05995	24.7
144.08081	2.8
145.02812	1.0
147.04434	1.3
147.08060	1.1
149.09645	17.6
151.07492	0.9
161.06013	3.2
162.09155	1.5
167.10698	42.2
175.07570	9.1
177.05502	1.5
178.05836	0.8
179.07182	1.7
187.07507	3.9
189.05466	1.1
189.07082	0.9
190.07903	1.0
191.08595	2.4
202.07863	1.0
217.08597	0.9
219.07997	2.2
227.17651	1.1
229.70020	0.8
231.08064	1.6
247.07635	1.8
248.08369	1.5
251.10686	2.8
263.10693	1.2
276.07999	0.9
279.10202	2.6
291.10144	2.5
303.78683	1.1
309.11310	2.4
311.12872	3.2
323.12695	1.8
341.10034	2.5
341.13986	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	340.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.1
55.05506	15.5
67.05504	45.0
69.07052	13.2
79.05486	13.0
79.07926	5.0
81.07066	52.1
83.04990	25.9
83.08626	7.1
85.06551	11.2
91.05506	39.9
93.07073	26.0
95.04984	5.1
95.08606	18.0
105.07072	33.1
107.08588	39.4
109.06561	6.8
109.10176	60.0
109.98175	5.1
123.11732	22.3
133.09253	8.3
133.10164	93.0
149.09650	6.8
151.07489	5.9
151.11212	100.0
179.10678	15.3
183.13808	39.0
273.18417	6.1
285.90460	5.6
291.19626	8.9
340.28836	8.6
340.35730	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.6
57.07074	5.2
67.05499	11.9
67.58642	4.5
69.07066	12.6
69.22858	22.5
69.23286	16.7
70.00352	4.5
71.11525	3.8
79.05505	7.2
80.54379	3.8
81.03423	12.7
81.07053	8.7
83.08644	5.2
91.05525	4.8
91.16644	5.2
93.07045	11.7
94.00664	4.0
95.04949	6.7
95.08582	8.4
102.09162	4.9
107.08640	5.6
109.10237	5.8
110.53780	5.2
110.75777	4.1
118.81881	4.6
119.08608	6.2
133.10170	5.4
147.11652	5.5
149.02295	9.4
149.13266	6.3
151.11240	11.4
165.12837	5.3
220.58287	4.5
231.21040	4.5
277.21652	100.0
295.22754	11.0
340.29230	7.4
340.35828	9.2
340.39578	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	341.0872
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
51.30427	0.7
55.01891	1.0
56.98899	0.7
57.03428	0.9
59.04999	1.5
61.02936	0.9
67.05519	0.8
68.99806	1.3
70.06606	1.1
70.37248	2.3
73.02921	0.9
73.04735	0.7
81.29014	0.8
84.08128	0.7
85.02930	4.3
91.05486	2.0
93.07064	0.8
97.02876	2.0
103.03939	2.3
104.98133	0.8
105.06976	0.7
107.04970	1.8
107.07098	1.0
109.02911	1.7
119.04913	1.7
121.02908	1.0
137.02374	1.4
137.05974	2.9
147.04405	3.5
149.05995	3.1
161.05980	1.3
163.03894	1.5
175.03926	26.4
179.03445	7.7
179.12857	1.4
181.01297	2.2
185.06073	1.2
189.05478	7.5
191.03413	99.6
192.04176	6.7
199.03838	1.3
203.03412	21.8
205.01363	1.1
205.05003	1.6
213.05455	3.2
215.03413	5.7
217.01443	2.1
217.04979	24.9
219.02869	1.6
221.04469	100.0
222.04724	0.9
229.04979	3.1
231.06512	6.1
241.04990	5.4
243.02969	1.5
245.04480	34.0
257.04471	12.8
259.06213	1.9
269.04535	14.3
270.08948	1.1
275.05539	22.6
287.05545	14.6
305.06598	12.8
323.07724	5.8
323.11154	1.1
327.98792	0.7
341.08740	7.3
341.12930	1.4
359.02817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01844	2.2
55.05513	8.5
57.03433	2.4
57.07059	1.2
65.03961	1.0
67.05507	7.8
69.03432	6.8
69.07063	12.6
70.06581	0.9
70.19143	1.9
70.19501	2.4
71.05013	1.2
72.93755	1.0
73.02885	1.2
74.85402	1.0
75.04465	4.2
79.05498	39.8
81.03389	3.0
81.07054	10.8
82.22752	0.9
83.04975	3.7
83.06081	3.0
83.08582	2.4
85.02934	2.2
85.06548	5.6
91.05484	20.4
93.07049	90.0
95.04984	5.4
95.08612	6.0
97.02930	1.7
97.06544	2.9
99.04408	1.2
103.05501	2.2
105.04514	2.0
105.07038	16.1
107.04952	1.9
107.07877	2.0
107.08601	35.1
109.06546	1.8
109.10168	4.5
111.04430	3.5
111.08089	3.7
111.11715	3.5
117.06997	1.8
119.04940	1.7
119.08566	5.5
121.06492	1.7
121.10152	100.0
123.08064	2.1
123.11700	2.2
124.07567	2.3
125.05992	1.2
125.09579	1.7
129.05487	1.1
129.07014	1.5
131.04915	1.4
131.08557	3.8
133.10135	10.3
135.11682	3.4
137.05998	7.9
137.09573	1.1
139.03935	1.5
139.11208	2.3
144.05777	1.3
145.06442	1.2
145.10094	2.3
147.04410	3.6
147.08015	1.2
147.11728	1.4
149.09657	12.2
149.13199	1.3
157.10123	1.5
158.59598	1.1
159.11713	1.3
161.05934	1.9
161.13268	2.8
163.13275	1.6
167.07013	2.0
167.10670	15.1
175.07520	1.9
175.11147	1.3
177.05461	1.6
179.10628	1.5
182.04984	2.7
187.07527	3.7
189.09111	1.1
208.02885	4.5
217.08527	1.1
219.08089	1.4
221.09521	1.2
231.08099	1.1
248.08589	1.1
256.07104	1.1
263.10684	1.2
265.08658	1.2
279.10382	1.6
281.11612	1.4
291.10150	1.7
305.24637	1.2
309.11157	1.8
311.12769	1.1
323.14963	2.9
323.25647	1.2
341.10129	2.1
341.15433	5.3
361.38068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01848	1.6
55.05503	4.9
55.50204	1.3
62.36528	1.4
66.11161	1.3
67.05512	8.8
69.03398	3.3
69.07077	11.3
71.51540	1.9
73.70418	1.6
79.05476	6.2
81.03423	1.8
81.07058	19.3
83.04992	3.7
83.08614	2.9
85.06552	4.7
91.05465	8.3
93.07043	9.6
94.04195	1.6
95.04951	4.2
95.08614	11.9
97.06516	4.1
99.08118	6.1
103.05482	1.4
105.03349	1.7
105.07027	8.4
107.04948	4.8
107.08618	9.0
109.06528	4.0
109.10162	16.1
110.09647	2.7
111.08074	5.0
115.05428	2.4
115.86232	1.6
117.07032	3.5
119.08565	8.7
121.06492	2.7
121.10144	6.2
122.03642	8.9
123.11716	4.3
127.11206	2.3
129.07016	5.1
132.05719	4.7
133.06580	3.0
133.10141	5.6
135.11708	5.4
137.05980	100.0
137.09598	1.7
138.09187	2.0
139.11145	1.8
145.06502	2.9
147.04439	4.1
147.08040	5.7
147.11728	2.3
149.05922	2.2
149.09637	1.7
149.13240	2.2
151.07533	3.1
151.11143	4.6
159.08081	3.2
159.11789	1.5
160.05197	2.5
161.05952	11.0
161.13271	2.3
162.06757	2.0
163.07539	2.0
165.12801	3.7
166.08653	6.2
167.06989	2.4
175.07552	44.4
177.05507	4.3
177.09114	3.7
179.07123	2.6
185.05927	2.1
187.07542	11.7
189.09158	3.6
190.07813	4.1
191.03392	2.2
191.08580	6.9
203.08612	4.5
205.06494	2.0
207.08006	1.9
211.07573	1.6
217.08591	3.2
219.08104	12.7
220.08766	2.6
221.04456	1.8
231.08060	5.3
233.06050	1.7
234.06712	1.6
235.07631	1.9
247.07510	5.7
248.08305	3.5
249.09053	2.3
251.10713	12.5
253.08585	1.7
259.07526	2.6
263.10681	4.3
264.07797	1.8
265.08475	2.6
266.09262	1.4
276.07755	2.0
277.08786	1.7
279.10129	14.2
280.10889	1.6
281.08322	2.3
281.11594	2.8
291.10172	7.5
296.10437	1.7
299.57123	1.8
305.24747	5.8
309.11261	7.1
311.12772	16.6
323.12726	8.0
323.25757	8.8
326.04736	1.6
341.06610	2.7
341.10159	3.6
341.13898	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.71260	0.6
52.74083	0.6
53.03940	1.5
55.01862	0.9
55.05516	45.1
57.03431	2.3
57.07080	3.3
67.05504	6.7
67.42578	0.7
69.03436	4.3
69.07073	21.3
69.26051	6.0
71.04996	1.6
71.08608	0.7
73.06577	1.5
79.05508	4.3
81.03414	1.9
81.07062	21.6
83.04987	1.4
83.08623	6.5
85.02891	1.5
85.06544	3.4
87.08131	0.7
89.03917	1.8
91.05516	2.5
93.07038	8.6
95.04963	1.3
95.08616	26.8
97.02876	1.1
97.06543	5.8
97.10178	100.0
99.04507	0.8
99.08106	2.4
101.06025	1.1
105.07036	8.5
106.88107	0.8
107.08600	9.1
109.02902	1.2
109.06560	1.9
109.10175	12.0
111.08115	0.8
111.11758	1.0
111.13332	0.7
113.09737	1.2
115.07613	0.7
117.03392	5.2
117.07108	0.8
119.08578	6.0
121.06519	0.9
121.10166	7.0
123.08080	2.6
123.11707	7.2
125.09637	19.1
127.03933	1.6
129.06960	0.7
131.08549	0.9
133.10120	5.0
133.53346	0.7
135.04478	1.1
135.08060	1.3
135.11707	5.2
137.06001	1.4
137.09639	1.8
137.13237	2.4
139.11206	2.8
141.01840	1.1
141.09117	2.2
143.10684	34.9
145.02863	13.2
145.10118	2.1
146.77718	0.7
147.11697	4.6
149.05994	2.3
149.09624	0.8
149.13246	5.3
151.07550	2.6
151.11171	1.4
151.14859	6.4
157.12292	1.4
159.11725	3.1
161.09453	0.8
161.13284	4.8
163.11163	1.5
163.14925	1.0
165.12749	1.4
167.14343	3.4
171.10191	5.3
173.13214	1.8
175.14885	1.7
177.05489	25.7
177.12840	2.2
178.13583	1.0
179.14317	7.9
181.12163	0.6
187.07596	0.8
187.14809	1.7
189.05554	0.9
189.11259	6.3
189.16501	1.2
195.13824	2.3
201.16582	1.1
205.15929	1.0
215.10948	0.8
225.09082	1.5
229.19514	1.3
271.06168	1.6
275.23816	2.5
285.22235	1.6
293.24823	2.4
303.23224	9.4
309.24359	2.3
311.13153	0.9
311.16507	3.0
321.09793	2.3
321.24255	60.8
322.24506	1.3
339.05209	1.0
339.12097	3.6
339.16245	3.1
339.25311	8.7
357.15164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	1.8
55.01879	0.6
55.05507	0.7
57.03441	1.2
58.75617	0.3
59.04999	0.3
61.02922	0.7
67.05513	0.8
69.03431	5.3
69.07080	0.8
71.04987	1.0
71.52196	0.5
73.02948	0.3
79.05493	0.7
81.03423	11.3
81.07072	1.8
83.04982	0.6
85.02910	12.7
89.03918	6.1
91.05486	1.0
93.07039	1.3
95.04963	0.6
95.08609	1.3
97.02914	1.8
97.06556	0.5
97.10183	0.8
99.04462	1.2
103.05453	0.5
105.07045	0.6
106.04221	0.4
107.04958	0.5
107.08579	1.0
109.02888	5.4
109.10164	0.8
117.03387	23.0
119.04945	0.3
119.08572	0.5
121.10138	0.5
123.11725	0.6
125.09673	0.3
127.03889	1.9
131.08633	0.4
133.10097	0.5
134.03629	1.3
135.04431	1.6
135.11673	0.7
137.05968	1.0
145.02853	55.7
147.04373	0.8
147.11678	0.5
149.05986	7.6
161.13138	0.4
163.03938	1.1
165.09042	0.4
177.05476	100.0
178.05800	0.4
186.05489	1.3
191.03404	0.5
195.06558	2.9
207.06499	0.5
208.44824	0.3
208.46770	0.3
235.07483	0.3
236.04335	0.3
242.24802	0.3
251.07045	0.6
251.10815	0.3
263.07413	0.3
279.06418	0.8
303.23288	0.7
307.06073	0.5
307.09625	0.5
311.12817	0.7
321.09692	13.4
321.24219	0.6
322.10248	0.5
339.11203	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03938	1.2
55.01873	1.4
55.05506	1.2
57.03443	0.9
61.02927	1.4
67.05515	2.3
68.22958	0.4
68.99796	0.5
69.03091	0.7
69.03437	9.1
69.07071	2.7
71.05004	1.1
71.52169	0.6
73.02898	0.8
79.05492	3.3
81.03428	7.7
81.07063	4.4
83.04971	0.6
83.08645	0.8
85.02917	4.8
89.03924	3.9
91.03967	0.9
91.05481	2.2
93.07047	2.7
95.08624	4.3
97.02878	2.5
97.06538	10.7
99.04440	0.8
103.05490	0.5
105.07043	1.6
107.08607	1.7
109.02907	3.7
109.06520	0.7
109.10143	1.8
115.03973	0.4
117.03390	19.0
117.07039	0.4
118.88966	0.5
119.08595	1.9
120.01601	0.5
121.10165	1.5
127.03923	4.6
131.08582	0.9
133.10146	1.1
134.03630	1.3
135.04411	2.0
135.11679	1.3
137.05974	1.4
141.01857	1.4
145.02859	52.4
145.10126	0.8
147.04428	1.3
147.11679	1.1
149.06006	8.3
149.13266	0.8
151.03899	0.7
157.10046	0.6
161.13292	0.6
163.03957	1.0
167.08649	0.7
169.10112	0.6
173.06030	0.9
174.06808	0.7
175.03908	0.6
177.05486	100.0
178.05919	0.8
183.08044	0.6
185.06026	0.6
186.05498	1.7
187.07558	0.9
195.06525	1.5
195.08098	0.9
197.09610	1.1
200.08334	1.3
211.11154	0.6
215.10712	2.9
215.73901	0.5
219.08115	0.6
225.09151	1.6
237.05434	0.6
237.09239	0.6
237.12630	0.5
241.08685	0.5
242.09392	0.5
243.10159	1.6
247.07565	0.6
255.06621	0.5
267.13800	1.3
283.06152	0.7
285.22549	0.5
289.08466	0.5
307.09561	1.1
311.05664	0.6
311.16391	6.7
321.09653	9.9
321.24326	0.7
324.06445	0.6
339.05023	2.2
339.08093	0.9
339.11813	4.2
339.16016	5.5
339.23093	0.9
339.26749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.3
57.96491	3.5
61.02924	44.7
62.06078	4.5
62.72259	4.3
67.05515	8.5
69.03426	10.5
69.07069	5.0
73.02911	19.6
79.05507	4.6
81.03423	5.9
81.07056	12.5
85.02909	70.6
91.03958	48.3
91.05466	6.5
95.01334	40.9
95.08615	9.9
97.02890	35.6
97.06552	6.6
99.04446	4.7
103.03946	6.8
105.07053	6.7
107.08655	4.8
117.03382	4.2
119.08615	4.9
121.10139	5.9
123.72972	3.4
124.89570	3.8
127.03929	24.7
141.01836	100.0
145.02902	18.5
145.04994	24.1
157.10217	4.2
159.02902	10.7
159.11650	4.2
163.06035	23.9
177.05489	32.5
220.17642	3.2
324.06445	4.1
339.05008	4.9
339.08585	8.5
339.12189	5.3
339.15814	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	0.7
57.03442	0.9
61.02926	0.7
67.05512	0.5
69.03431	5.6
71.04991	0.8
71.09328	0.5
73.02917	0.5
77.03944	0.3
79.05519	0.5
81.03424	13.6
81.07045	0.4
84.08128	0.4
85.02914	4.7
89.03922	5.8
91.05483	2.2
93.07039	0.3
97.02918	1.7
99.04469	1.3
102.83024	0.3
103.05476	0.5
105.07047	0.6
106.04197	0.8
107.04941	0.3
107.08598	0.4
107.63867	0.3
109.02895	5.5
117.03387	23.8
119.04933	1.1
121.10156	0.4
124.07573	0.5
127.03905	2.1
131.08571	0.4
134.03596	1.7
135.04411	1.5
137.05960	0.7
145.02855	51.5
147.04417	3.7
149.04793	0.4
149.05995	8.0
151.11203	0.4
162.03136	0.6
163.03882	0.9
175.04050	0.4
177.05478	100.0
178.05826	0.7
186.05516	0.9
193.05070	0.4
195.06543	2.8
233.08177	0.3
235.05914	0.4
279.08649	0.7
321.09689	16.8
339.10803	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	339.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00396	0.3
53.03951	1.1
55.01897	0.5
55.05520	0.5
57.03438	1.1
61.02975	0.4
67.05508	0.6
69.03441	6.0
69.07067	0.5
71.04992	0.8
71.52235	0.5
73.02938	0.5
79.05510	0.5
81.03430	10.6
81.07065	0.8
83.08582	0.3
85.02431	0.5
85.02922	5.0
87.98476	0.3
89.03928	6.5
91.05501	1.3
93.07055	0.9
95.04954	0.5
95.08630	1.1
97.02917	1.5
99.04469	1.0
100.11280	0.5
103.05463	0.4
105.07040	0.5
106.04182	0.6
107.08630	0.6
109.02894	5.1
109.10178	0.8
111.04490	0.3
114.38987	0.3
117.03399	21.8
119.04973	0.6
119.08598	0.7
121.06535	0.5
121.10160	0.4
127.03936	2.3
131.08548	0.4
133.10149	0.6
134.03638	1.6
135.04434	1.4
135.11757	0.3
137.06039	0.7
145.02869	55.3
145.10156	0.3
147.04427	0.8
149.06000	7.6
162.03166	0.4
163.03940	1.2
163.11229	0.3
177.05498	100.0
178.05809	0.7
186.05530	1.3
191.08664	0.3
193.47366	0.3
195.06575	2.6
207.06366	0.6
236.04736	0.5
247.07623	0.4
251.10626	0.4
277.68811	0.4
303.23175	0.5
307.09729	0.6
311.12741	1.2
321.06000	0.8
321.09735	14.4
321.24289	0.7
339.11459	3.7
361.91251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.19197	0.4
53.03935	2.1
55.01862	0.5
57.03428	1.3
59.04999	1.8
67.05504	0.6
69.03435	6.4
70.66882	0.5
70.90752	1.5
71.05009	1.0
73.02910	0.5
81.03424	20.0
82.35944	0.5
85.02912	5.3
85.37863	0.5
89.03922	7.3
90.54272	0.4
91.05495	0.8
93.07055	0.7
95.08563	0.5
97.02901	0.6
98.50546	0.6
99.04455	2.0
106.04165	0.4
107.08579	0.4
109.02894	7.2
116.81950	0.5
117.03393	22.8
127.03894	1.7
134.03601	1.4
135.04399	1.1
145.02858	60.3
146.03154	0.5
149.05978	8.8
163.03864	1.1
177.05486	100.0
178.05838	0.9
186.05397	0.7
195.06560	3.6
279.08585	0.7
321.09705	25.4
339.10864	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	337.0898
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
67.40408	1.2
70.77423	2.5
92.65804	1.1
100.07609	1.2
104.19795	1.2
116.27745	1.3
144.93013	1.2
172.04420	1.2
227.93819	1.2
229.28160	1.2
234.56189	1.3
277.07669	1.7
295.08780	1.8
310.82587	1.4
337.08929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01909	1.1
53.03959	1.6
55.05518	2.0
57.03440	1.9
65.03947	6.3
67.05513	1.7
69.07079	1.4
71.52178	1.8
72.08148	1.2
79.05518	3.3
81.03439	1.4
81.07054	4.3
83.08624	1.7
84.08148	1.7
85.02912	1.6
86.09698	1.7
87.04473	2.1
90.42285	1.2
91.05498	2.4
92.05004	8.4
93.07044	2.2
94.06601	1.4
95.04974	2.0
95.08618	1.7
96.08141	6.4
97.06519	1.6
105.03417	1.4
105.07044	3.3
107.06158	1.2
108.08161	1.4
109.06519	2.7
109.10238	1.2
119.08588	3.0
120.04491	2.3
121.10152	1.8
122.06057	2.5
124.07627	8.4
126.09171	27.1
131.08626	1.9
133.10168	1.6
138.05515	4.2
138.09158	5.2
148.03966	10.3
149.06004	1.4
150.05539	3.9
152.07086	50.5
163.03954	1.7
166.05022	100.0
171.09116	1.7
175.03889	1.9
175.14905	1.9
176.03447	16.0
176.04796	2.0
177.05574	1.3
182.04526	18.3
182.08244	1.4
193.04988	2.0
194.04523	20.7
198.07706	3.0
199.08725	3.3
199.12413	1.2
200.10756	3.5
205.08670	2.2
209.10828	2.8
211.08669	1.6
212.05586	5.8
212.09424	6.3
215.08195	2.2
221.04594	1.5
225.10301	3.4
226.11015	1.7
227.08340	1.4
227.11836	7.7
228.10204	3.6
228.77902	1.3
229.13318	1.3
233.09300	3.5
240.09003	5.0
241.09706	3.7
242.10529	1.9
243.11345	2.0
245.09402	2.9
253.09734	7.3
254.08191	1.6
255.11380	9.8
257.09195	4.4
257.12894	3.1
259.07175	4.1
261.12344	2.3
270.10068	3.8
271.10797	17.3
272.09109	2.0
272.11697	1.9
273.09024	1.7
273.12299	4.8
283.10791	74.1
288.11096	1.8
289.11816	11.5
301.11859	67.0
305.08054	1.7
319.12912	95.2
334.29578	1.3
337.06735	2.0
337.10361	2.8
337.13864	3.5
337.17493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03937	1.4
55.01868	1.0
55.05516	23.3
57.03444	18.7
57.07074	3.3
65.03933	1.8
67.05511	52.3
69.03458	0.5
69.07076	32.0
71.04980	1.8
71.08627	1.9
79.05077	1.0
79.05501	14.1
81.07065	53.7
82.07322	0.6
83.04980	1.8
83.08149	1.1
83.08627	14.1
85.06552	1.5
91.05486	9.2
92.99905	0.5
93.07057	13.0
95.04950	0.6
95.08614	37.7
97.06521	2.6
97.10177	7.4
98.20733	1.2
99.08074	1.6
105.07043	6.1
107.08598	6.3
109.06497	0.9
109.09471	1.0
109.10170	13.5
111.08094	1.7
111.11724	1.6
116.98161	0.5
119.08607	6.2
121.10150	7.3
123.08067	0.9
123.11720	6.7
125.09639	1.1
131.49409	0.6
133.10152	5.1
135.11699	3.7
137.09602	0.9
137.13266	2.5
139.11201	0.6
147.11702	3.4
149.13263	2.1
153.12756	0.6
161.13272	2.9
163.14897	2.2
175.14841	1.6
177.16455	0.6
189.16335	0.9
228.15718	0.6
245.22661	1.2
259.83057	0.6
263.23795	2.8
337.27386	100.0
338.27710	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.274
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.03158	0.4
53.03952	1.7
53.04178	0.4
55.01877	0.8
55.05520	23.1
57.03448	16.1
57.07088	4.3
65.03954	1.5
67.05514	51.8
69.07079	27.5
69.36384	1.6
69.36800	1.3
71.05004	1.1
71.08625	2.1
79.05504	12.7
81.07069	54.4
83.04988	1.1
83.08629	16.5
83.09129	0.8
85.06538	1.2
85.10192	1.0
91.05495	9.1
93.07058	12.4
95.04988	0.7
95.08620	46.5
97.06529	2.9
97.10187	7.8
99.08105	1.1
104.51779	0.4
105.07044	5.9
107.08608	7.0
109.06542	0.7
109.10175	18.6
111.08115	1.7
111.11742	1.7
113.09667	0.8
117.07037	0.7
119.08599	5.5
121.10166	7.0
123.08048	0.5
123.11722	7.9
125.09660	1.3
125.13271	0.6
125.60513	0.4
133.10152	6.3
135.11716	3.5
137.09637	1.1
137.13257	3.5
139.11191	0.8
147.11705	3.9
149.13310	2.8
151.11121	0.6
151.14838	1.9
161.13303	2.9
163.14893	2.8
165.12817	0.8
165.16490	1.0
175.14861	1.6
177.16428	1.2
189.16458	1.3
193.15897	0.5
207.17474	0.5
242.08350	0.4
245.22717	3.8
263.23727	5.3
310.79770	0.4
319.26483	0.7
337.27411	100.0
338.27710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.9
55.05521	36.2
57.03443	15.6
57.07093	7.5
61.37600	4.8
67.05513	56.9
68.05838	14.9
68.35114	4.6
69.07066	28.7
79.05506	25.8
81.07072	60.3
82.07397	14.2
83.04967	14.2
83.08630	19.2
84.08989	6.8
85.06588	5.7
91.05485	14.5
93.07058	29.1
94.07388	5.5
95.08618	37.9
96.08940	13.3
97.06570	12.5
97.10172	10.3
105.07033	14.2
107.04967	8.6
107.08575	24.1
109.10166	15.8
110.10470	5.9
118.65069	4.5
119.08569	12.3
121.06568	5.7
121.10172	9.7
123.11747	11.1
125.09686	5.6
133.10123	11.9
135.11761	5.7
146.64201	4.8
147.11711	7.7
149.09625	26.3
149.13301	6.1
189.11264	8.7
209.15410	12.5
220.76685	5.9
257.19016	14.0
275.20111	75.3
293.21136	9.3
338.27704	100.0
338.34070	9.5
339.27679	6.6
355.39734	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	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01868	1.4
55.05519	0.5
57.03432	0.5
61.02928	0.6
65.03927	0.7
69.03441	3.1
69.07059	0.4
70.06593	0.8
71.50732	0.5
73.02921	0.9
73.06558	0.6
81.03430	2.1
83.01373	0.7
84.08139	1.2
85.02913	6.2
86.06069	0.6
86.12463	0.4
87.00812	2.3
88.78114	0.4
91.05492	11.7
93.07055	0.5
95.05006	0.7
97.02912	2.5
98.97566	0.9
99.04456	0.7
101.02398	1.6
105.01881	3.4
105.07068	0.6
107.04993	0.5
109.02883	1.7
114.05533	0.8
119.04955	26.9
121.02857	0.7
127.03931	5.0
129.01851	0.6
135.04413	1.3
137.06007	0.8
142.04993	0.4
144.94846	0.4
145.02867	0.9
145.05026	1.1
147.04424	100.0
148.04750	0.5
149.05984	0.8
159.02844	0.4
161.06010	0.7
163.03943	0.7
164.07091	0.8
165.05472	1.0
167.07076	0.5
175.73218	0.4
177.05464	1.5
179.06998	0.5
187.08839	0.5
188.09419	0.6
188.13118	0.5
189.10321	0.5
191.07027	0.6
200.09431	1.1
201.10295	1.1
207.06544	1.2
207.11292	5.1
214.10912	0.6
215.11842	0.7
216.12636	0.7
218.10423	0.7
219.03183	0.5
219.06512	1.0
219.11273	1.5
220.12099	1.3
229.09851	0.5
229.13412	2.4
231.05095	0.8
233.09172	0.6
233.12872	1.0
234.13818	0.8
237.82919	0.4
247.14450	2.6
248.11646	0.6
249.07664	0.6
257.08389	0.5
257.12848	3.0
264.79675	0.4
275.09201	0.5
275.13922	4.3
285.12433	1.4
289.08392	0.5
293.14990	2.0
303.13440	5.5
321.11206	0.7
321.14462	16.0
339.07260	4.3
339.15549	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95759	3.8
52.45042	3.2
55.05512	7.6
61.02942	42.3
67.05524	4.9
69.03435	14.1
69.07082	10.6
71.01366	3.9
71.05006	4.2
71.52752	5.6
73.02930	18.1
79.05506	5.2
81.03444	8.2
81.07074	14.5
83.08632	5.5
85.02917	63.8
89.03919	4.8
91.03971	54.9
91.05500	10.9
93.07052	12.9
95.01334	31.7
95.08601	16.9
97.02911	27.4
97.06570	5.1
97.10159	6.7
99.04439	5.0
105.07069	7.2
107.08646	9.7
109.10185	8.9
117.03409	12.3
119.04979	4.2
119.08585	10.7
121.10179	7.5
123.11678	5.3
127.03967	25.4
131.03412	4.5
131.08609	6.8
133.10155	5.8
135.04451	8.4
135.92653	4.0
137.05986	5.1
139.27884	3.8
139.36391	3.7
141.01839	100.0
143.08606	7.3
145.02892	28.5
145.04968	31.1
145.10179	5.5
149.06042	7.5
155.08707	4.3
157.10207	4.6
159.02945	9.9
159.11665	7.0
161.13232	4.8
163.05995	18.1
171.11754	5.1
173.13190	3.7
177.05496	54.4
185.13315	6.7
187.14806	4.2
192.08965	3.9
203.08482	4.2
213.09048	3.8
268.10010	3.9
269.08124	4.9
311.16986	4.2
320.66620	4.1
321.10022	4.4
339.04929	6.4
339.08466	8.2
339.11990	6.5
339.15723	10.5
339.23117	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	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
59.05014	0.6
69.03437	5.7
70.06578	0.9
70.27502	1.7
70.27895	1.2
75.04458	0.7
82.99861	0.7
84.08134	1.7
84.75848	0.7
85.02917	4.3
87.04465	2.4
97.01472	0.5
97.02914	4.9
98.97565	1.0
101.00882	3.9
103.00645	0.7
103.02405	0.6
109.02924	0.7
113.00858	0.8
115.02458	1.3
115.03969	1.5
119.01912	4.1
121.01671	0.7
127.02438	2.0
127.05794	0.7
128.10748	0.9
130.08643	1.7
131.01895	0.8
133.01662	0.7
133.03462	1.9
139.02438	0.8
143.01906	2.9
145.03477	3.6
146.08083	1.5
147.03172	1.0
155.01883	2.8
157.03506	3.7
161.02983	2.0
169.03525	0.9
171.03204	0.8
173.02948	2.1
174.11220	1.1
175.04318	1.3
175.11639	1.9
183.05043	0.8
185.02989	3.0
203.04059	1.7
209.03009	0.8
217.01851	0.9
217.05661	1.3
221.05154	1.0
235.06636	2.9
237.06281	0.8
245.05156	1.0
247.03175	0.7
247.06683	1.2
253.07811	0.7
277.07751	7.1
295.08743	6.1
305.05768	0.9
319.08847	2.3
337.08963	100.0
338.09296	1.4
349.10025	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	336.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34604	0.5
55.01866	1.0
56.05050	3.3
57.03426	0.8
58.06578	0.5
58.17918	0.6
60.04504	1.4
65.03951	1.3
69.03426	1.9
69.07055	1.1
70.06600	5.5
71.51057	0.6
72.08144	1.6
81.03404	2.0
84.04510	1.0
84.08116	0.9
85.02917	3.9
86.09674	0.8
87.04420	0.6
91.05501	1.1
93.03411	1.6
95.04974	0.7
96.04484	0.8
97.02914	3.6
102.05511	0.7
105.03391	1.3
109.02891	1.4
110.06049	1.0
111.04382	0.6
111.60946	0.5
112.51519	0.6
114.05506	1.8
115.03926	0.8
115.05421	1.2
117.07043	0.9
119.01320	2.5
120.08129	3.5
121.02859	4.3
121.06501	1.8
127.03912	0.9
128.06207	1.9
129.07042	2.5
131.04840	0.6
137.02330	1.1
138.05522	0.7
139.05389	0.6
139.07510	1.3
141.07018	4.6
144.04504	0.6
144.05669	0.5
145.02834	1.1
145.06473	1.3
146.05956	0.6
147.04393	1.1
149.02315	0.7
149.06064	0.8
151.03903	1.6
152.06210	0.5
155.04906	1.2
156.06584	1.5
157.06514	4.2
157.08583	0.8
159.08098	0.8
161.05943	0.6
163.03963	2.9
164.04712	6.8
165.01871	5.4
167.03474	0.8
167.04900	0.7
169.06529	3.9
171.04517	0.5
173.05986	1.4
174.07654	3.4
174.11240	0.5
175.03926	2.7
175.07552	0.6
176.03302	0.9
176.04724	9.9
177.05429	2.2
179.03389	2.2
183.04321	1.6
185.05988	8.0
187.03929	0.8
187.07564	1.8
189.05518	1.0
193.07338	0.7
195.04391	0.8
197.06009	7.5
199.03912	0.9
200.04651	0.5
201.05489	4.7
203.07005	0.7
204.08646	0.8
205.05017	0.9
211.03943	2.7
213.05499	13.8
214.08557	0.7
215.03256	0.5
215.07033	3.0
217.05019	0.7
219.02818	1.5
219.06468	0.6
219.14856	2.0
225.05594	3.3
229.05003	9.2
229.08665	0.6
230.05832	0.7
231.06540	1.5
233.04465	1.3
239.03357	1.6
240.06696	0.8
241.04977	13.3
243.06587	4.0
245.08195	1.3
247.05989	2.8
255.06470	1.6
257.04562	5.3
257.07315	0.7
258.05249	0.8
258.07657	2.5
259.06073	18.5
261.07553	2.7
269.04507	4.9
271.05969	1.3
272.09210	3.1
273.04761	1.2
273.07608	19.6
275.05576	4.6
286.07010	1.2
287.05530	6.2
288.10336	0.8
289.07147	1.0
290.10153	2.4
300.10938	0.7
301.07056	1.4
304.08115	4.7
318.09247	0.9
318.12073	0.7
319.08014	0.7
336.10721	100.0
337.10999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2584
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03960	4.0
55.01868	1.0
55.05275	1.0
55.05519	16.2
57.01436	0.7
57.03444	19.5
57.07078	1.3
58.28941	0.6
65.03938	3.0
67.05511	71.7
67.85770	0.8
69.03425	1.0
69.06727	1.3
69.07075	16.1
69.20921	7.4
71.04999	2.1
71.45319	0.7
79.05503	31.5
81.03427	1.2
81.07063	52.8
83.04993	1.9
83.08622	6.3
85.06532	0.9
86.40948	0.7
91.04979	1.3
91.05493	17.7
93.07052	36.5
95.04964	2.9
95.08615	46.5
97.06534	2.2
97.10162	1.8
98.98510	1.7
99.08089	1.0
105.04578	0.9
105.07040	9.8
107.08608	15.7
109.06508	1.3
109.09472	1.4
109.10171	17.2
111.08091	1.3
117.07063	4.5
119.06099	0.8
119.08598	6.8
121.10154	14.5
123.08081	1.0
123.11694	5.9
129.05452	0.8
131.08583	5.4
133.10135	5.7
135.11708	7.3
137.13255	1.0
145.10043	3.8
147.11711	3.0
148.78403	0.8
149.13295	3.4
159.11685	3.0
161.13263	2.9
163.14862	1.4
164.00981	0.9
173.13333	1.3
177.16350	1.0
177.19499	0.8
187.14786	1.3
243.21167	1.9
243.59387	0.9
261.22086	4.0
269.81061	0.8
279.23322	0.7
307.94995	0.7
317.24866	1.1
329.55939	0.8
335.25827	100.0
336.25998	1.2
356.18817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.72593	0.8
53.03937	2.0
55.05519	15.9
57.03201	1.1
57.03446	15.2
57.07078	1.9
63.47807	0.7
65.03944	2.3
67.05510	56.1
69.07076	12.8
70.03730	0.8
71.05000	1.8
79.05499	30.5
81.07063	52.9
83.04990	1.7
83.08625	5.7
85.06542	0.9
91.05490	15.0
93.07053	30.5
95.04965	1.9
95.08615	43.2
97.06553	2.1
97.10159	1.6
105.07037	10.4
107.08608	15.0
109.06496	1.7
109.10175	15.6
111.08100	1.0
117.07018	3.4
119.08584	7.5
121.10163	14.7
123.08106	1.1
123.11720	5.7
125.09642	0.8
131.08553	5.1
133.10107	5.7
135.11691	8.9
136.18887	0.8
137.09715	0.8
137.13258	1.0
145.10107	4.7
147.11693	3.6
149.13264	4.3
152.55746	0.9
159.11685	2.7
161.13252	3.3
173.13272	3.2
175.14850	1.5
177.16467	1.6
187.14835	1.3
243.21141	2.4
252.77834	0.9
261.22226	4.3
301.35141	0.8
317.24863	1.4
335.25827	100.0
336.26337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.7
55.05273	1.3
55.05517	16.5
55.22746	1.1
57.03192	1.3
57.03445	15.6
57.07075	1.7
65.03936	2.7
67.05513	70.2
69.07073	14.8
69.16855	6.6
69.17276	3.1
71.04985	1.9
71.08623	0.9
79.05499	32.7
81.07063	65.3
83.04996	1.4
83.08627	5.5
85.06551	2.0
91.05493	18.1
93.07056	38.4
95.04949	1.7
95.08617	55.2
97.06550	1.9
97.10164	2.1
98.21464	2.2
105.06488	1.1
105.07051	11.6
107.08611	18.8
109.09472	1.8
109.10166	20.3
111.08024	1.2
116.12628	0.9
117.07028	3.7
119.08587	8.9
121.10155	16.3
123.08105	1.5
123.11691	6.7
131.08591	6.4
133.10153	6.3
135.11699	11.8
137.13280	2.4
145.10153	4.2
147.11716	4.5
149.13309	6.0
159.11720	3.9
161.13278	3.8
163.14861	3.2
165.12819	1.0
173.13283	3.4
175.14777	1.1
187.14803	2.7
201.16496	1.1
203.96420	1.0
243.21185	2.6
261.22131	7.8
335.25824	100.0
336.26175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.8
67.05496	1.6
69.03461	0.6
69.07058	1.3
69.78637	0.6
69.92114	3.1
71.08627	0.9
72.04515	1.4
79.05452	0.7
81.07058	2.7
83.08591	0.7
91.05475	1.7
93.07034	1.3
95.04948	0.7
95.08631	2.1
97.06523	1.2
105.07019	1.1
109.06561	1.1
109.10151	0.8
118.27366	0.6
119.08597	1.8
121.10146	1.2
131.08534	1.0
133.10095	0.7
133.36653	0.6
135.11761	0.7
165.12764	1.0
166.13116	1.4
171.11722	0.7
193.10370	0.6
195.09943	1.7
201.24350	0.7
237.20462	0.9
241.45663	0.7
292.94229	0.8
335.13086	2.0
335.21939	100.0
336.22214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07920	0.7
53.03942	3.2
53.49315	0.8
55.01887	1.9
55.05516	11.6
56.11165	0.8
57.03191	1.1
57.03442	13.9
57.07083	1.8
63.47076	0.8
65.03922	1.9
67.05511	50.6
69.03442	0.8
69.07075	13.9
69.68037	1.6
69.68449	3.1
71.04986	1.3
72.04513	2.6
73.04855	1.0
74.73814	0.9
79.05502	25.7
81.03419	1.4
81.07065	48.6
83.04992	1.5
83.08620	6.1
85.06571	1.3
91.05492	13.4
93.07052	28.5
95.04960	2.6
95.08616	35.3
97.06512	3.7
97.10172	1.6
105.04543	0.8
105.07053	8.0
107.08604	12.7
109.06517	1.5
109.10159	15.3
117.07013	2.9
119.08613	6.7
121.10146	11.7
123.08088	0.9
123.11703	4.4
127.03857	1.1
131.08553	4.0
133.10118	4.6
135.11685	6.6
137.13280	1.7
143.08440	0.9
145.10143	3.5
147.11708	2.3
149.13269	2.6
159.11732	2.5
161.13283	2.2
163.11101	1.2
163.14861	1.8
165.12781	2.1
166.13132	1.9
173.13289	2.2
175.94379	0.7
187.14774	1.8
195.09935	2.1
196.72217	0.9
212.01909	1.0
237.20427	1.4
243.21060	2.0
261.22098	2.8
262.22464	1.0
277.08502	1.0
289.08511	1.7
303.10028	1.2
304.11005	2.2
320.10373	1.1
335.13333	5.9
335.21902	100.0
335.25858	71.0
336.22101	1.6
336.25912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.1
55.05523	1.1
57.03452	0.7
57.07082	4.1
65.87672	0.5
67.05533	1.5
69.07079	1.2
70.06608	1.8
71.04976	0.8
71.52012	0.8
73.02933	1.3
74.47599	0.5
79.05491	0.9
81.03477	0.6
81.07088	0.9
84.08189	0.9
85.02932	2.2
85.06549	0.8
86.09734	0.7
91.05530	1.0
93.07079	1.2
94.06595	1.2
95.04976	1.0
95.08624	4.5
96.04521	1.2
97.02920	1.0
97.06575	1.3
107.08608	0.8
108.04520	1.0
108.08128	0.9
109.10198	1.1
117.07069	0.6
119.08620	1.1
120.04504	1.3
122.06035	1.2
124.07610	1.2
132.11275	0.6
134.06021	0.8
136.04005	0.6
136.07587	1.9
137.06093	0.6
137.09659	1.5
138.05463	1.1
140.07062	0.8
144.08182	0.7
146.09706	0.7
155.10730	2.8
156.08112	0.8
159.10236	2.0
166.05043	1.9
168.06609	1.4
172.07555	0.8
174.09213	0.8
176.03511	0.8
178.05055	0.8
178.08646	2.2
178.56435	0.5
182.08379	1.3
182.09770	1.1
184.07600	1.4
185.10869	0.8
186.07834	1.1
186.09300	0.9
187.08771	0.8
188.07152	0.9
189.10370	0.7
192.02983	1.0
197.10794	1.4
198.09204	1.6
199.08688	2.5
199.12459	1.2
200.07130	1.2
200.10889	1.2
201.10255	4.6
202.08650	1.2
205.09865	0.9
206.08186	1.2
208.07750	0.6
210.09329	1.0
211.08734	0.8
212.07114	1.1
212.09300	0.6
213.10350	2.0
215.08223	2.5
215.11792	1.4
216.08963	1.2
217.09805	1.7
217.13399	0.7
219.11420	0.7
225.10336	3.7
226.08708	2.2
227.08212	2.8
227.11810	4.1
228.10469	3.7
229.09721	4.8
243.07719	2.0
243.11345	5.3
244.08501	1.1
245.09279	2.8
247.10872	1.1
253.09750	3.9
254.08069	1.4
255.11378	4.5
257.09222	11.8
258.10089	1.6
259.07346	0.7
261.08701	0.6
271.10800	20.4
272.09152	1.7
281.09293	2.1
282.07709	1.0
287.10312	4.0
289.11835	11.0
299.10306	24.6
302.08752	0.7
307.12918	2.0
317.11359	100.0
318.11505	0.9
335.12415	25.1
335.15991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06914	0.9
53.03951	1.4
55.01873	2.6
56.78109	1.0
57.03435	1.0
65.03949	2.3
67.05501	5.9
69.07076	90.5
69.41508	6.6
79.05495	9.7
81.07088	4.7
91.18633	0.9
92.05023	2.3
94.06590	2.6
95.04963	2.0
97.06542	100.0
103.05437	1.3
109.06523	1.1
119.03607	1.0
119.04980	0.9
120.04505	1.0
122.06028	6.7
124.07570	2.5
125.05989	1.7
130.06572	1.2
131.04921	3.4
134.05980	1.2
137.05991	3.5
138.05511	6.8
138.82901	1.0
140.07092	6.8
144.08072	2.0
145.06505	1.3
145.08923	2.9
145.10066	1.1
146.09615	2.3
147.04459	2.0
148.03937	3.5
149.05957	1.9
150.05522	71.1
151.05870	1.4
152.03465	1.1
157.08876	1.9
158.09612	1.1
159.04472	2.8
159.10464	1.3
159.11781	0.9
161.08382	2.6
162.09166	2.4
165.04091	1.6
166.05026	25.9
172.11246	3.7
173.06091	1.1
173.08435	1.1
174.12811	5.0
175.03931	2.4
176.03467	7.5
177.05516	8.7
177.50757	1.0
178.04929	2.0
182.04636	1.2
185.08392	1.8
186.07646	2.0
187.03954	7.1
188.10738	1.8
190.08594	2.1
190.12280	4.4
191.03355	1.8
194.04465	2.4
198.07802	1.4
200.10776	8.6
201.09151	3.9
202.12262	7.6
203.03430	4.1
213.10214	0.9
216.10248	3.8
218.08322	2.1
218.11815	27.7
219.10176	2.8
221.04466	3.8
226.08397	1.0
228.10225	16.5
229.08621	5.2
229.13390	2.7
231.02899	19.5
234.11304	2.7
243.11191	1.3
244.09816	2.0
245.08212	2.4
245.12880	1.6
246.11276	22.5
255.10016	1.2
257.04309	1.8
271.10922	4.7
272.09253	3.0
273.07605	13.3
273.11316	7.6
274.10757	3.7
287.10306	8.4
289.11536	12.6
289.22812	1.0
290.10013	1.4
291.13361	1.8
299.10202	7.7
317.10959	36.5
318.09747	1.1
335.12170	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95243	2.2
55.01880	3.4
55.05518	2.6
65.02538	2.7
69.03413	2.6
69.07059	5.9
71.51657	2.8
71.52039	3.7
72.08125	2.7
79.05492	4.2
81.03407	3.6
81.07051	5.3
91.05468	3.8
93.07048	3.6
95.04958	3.1
95.08625	4.5
97.06517	4.5
100.11233	2.9
105.07029	5.9
107.04981	3.0
107.08648	3.2
109.10141	2.9
115.05473	3.6
117.07004	3.6
119.08649	2.4
123.04465	21.6
129.07005	6.4
131.08553	2.2
141.06987	8.2
144.62282	3.1
145.06474	9.1
145.10201	4.2
147.04398	5.4
149.06052	4.0
152.06169	6.8
153.07011	8.8
155.08563	10.9
157.06589	3.5
157.10147	4.7
159.04425	3.9
159.08092	11.9
160.05153	4.8
160.55276	2.3
161.06026	6.7
165.07033	10.9
166.07796	7.7
167.08588	9.5
169.06541	4.2
169.10127	5.2
171.08046	4.0
173.06007	21.3
173.09624	4.9
175.03851	3.0
175.07516	13.2
177.05539	5.9
178.07780	5.1
179.08575	19.4
181.06543	6.4
181.10118	10.2
182.04457	3.3
182.07268	2.7
183.08034	17.7
185.05931	6.6
185.09612	7.7
187.07565	36.6
188.08368	36.6
189.05469	4.4
191.08582	3.0
193.06548	3.5
194.07289	7.4
195.08012	13.1
197.05983	13.1
197.09636	11.4
198.06798	7.5
199.07579	9.6
200.04729	6.8
201.05681	3.0
201.09146	57.3
205.04956	2.7
207.08099	22.9
208.08836	4.6
209.09645	29.0
210.06746	13.1
211.07561	37.4
212.08316	8.2
213.09158	18.6
214.06252	4.4
215.10722	2.6
217.08636	4.4
225.05536	5.7
225.09142	100.0
227.07098	7.0
227.10719	15.0
228.07837	2.8
229.08592	48.6
229.10712	4.4
231.06369	3.7
235.07579	10.1
237.09154	17.9
238.06206	4.0
239.07045	10.5
243.10255	17.2
245.02744	4.2
245.08081	8.8
245.11705	3.3
253.08636	54.7
254.09314	8.5
255.06618	3.3
255.10179	9.5
257.08093	16.8
263.06879	3.6
271.09705	51.1
273.07584	29.8
273.10809	4.4
281.08118	33.5
289.10699	11.6
290.10175	7.3
291.08658	20.9
299.09207	41.5
303.10364	2.8
304.10986	5.5
317.10291	26.3
318.09756	7.3
335.12082	13.8
342.50793	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1127
Annotation	Melampodin B
Peak:m/z	Relative Intensity
53.03945	2.1
53.15850	0.6
55.01867	3.9
55.05504	2.6
57.03427	1.3
58.84066	0.6
61.98009	0.6
63.94794	0.7
65.03932	1.0
67.05500	2.6
68.99789	0.8
69.03429	0.8
69.07075	9.7
69.89284	2.9
74.40400	0.6
78.04703	1.1
79.05502	12.8
79.05942	0.7
80.06284	0.7
81.03435	5.1
81.07059	10.7
83.04976	2.5
91.05481	2.6
93.03407	3.1
93.07033	1.1
95.04989	4.2
95.08594	1.1
96.05780	1.8
97.06546	9.1
98.20837	1.1
103.05477	2.2
104.06253	1.5
105.03354	1.2
105.07044	1.6
106.04189	1.4
107.04958	2.3
107.08553	0.9
115.05460	1.7
117.07031	1.9
119.04948	2.2
119.08549	0.6
122.03658	0.8
123.04440	8.6
129.06174	0.8
129.07022	2.2
130.71082	0.6
131.04950	11.1
131.08588	0.9
132.05731	3.2
133.02847	0.7
133.06430	1.2
134.03639	3.4
135.04445	1.6
135.08005	0.6
141.06985	1.3
142.07820	1.1
144.05688	0.8
145.06500	8.0
147.04417	7.5
149.02301	1.5
149.05922	0.7
151.03938	4.0
155.08551	1.2
157.06509	1.8
158.07256	0.8
159.04445	4.4
159.08110	3.8
160.05238	8.1
161.06055	3.9
163.03932	11.1
165.05516	1.1
165.06958	0.7
171.04469	0.9
173.05977	4.2
173.09618	2.3
175.03909	6.3
176.04707	1.3
177.05486	9.8
181.06477	0.8
183.08052	1.4
185.06021	2.5
185.09636	1.1
187.03906	2.2
187.07561	1.9
188.08302	0.9
189.05479	31.2
191.03412	5.1
191.06990	0.8
193.04967	0.9
197.09685	1.0
198.06824	0.8
199.11183	1.0
201.09138	27.2
202.06262	1.6
202.07996	1.1
202.09909	23.9
203.07040	30.7
203.10670	14.1
205.04912	2.6
207.02835	2.1
209.09569	1.7
219.02855	1.9
221.04495	2.2
225.09181	2.2
227.10718	2.6
229.08591	4.0
231.02946	3.2
231.06575	6.4
231.10176	18.3
233.04460	2.6
237.04066	1.0
243.10103	1.9
245.11755	51.1
246.11925	0.9
253.08577	2.5
255.10172	11.7
256.48257	0.7
257.04483	2.1
267.05057	3.6
271.09653	14.0
273.07721	1.9
273.11234	5.3
275.06067	1.5
275.09164	24.4
281.08078	2.0
289.10730	13.4
293.06604	4.6
299.09164	21.7
317.10196	12.6
318.10172	0.8
335.11270	100.0
336.11472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.8
57.03423	1.8
61.02916	1.5
68.98271	1.5
69.03448	4.1
69.03745	1.0
69.07036	0.9
70.06566	2.1
70.98129	4.1
70.99830	1.0
71.50008	1.1
73.02899	1.5
73.87251	0.8
77.00893	1.3
81.03396	2.8
82.06574	1.3
82.99834	4.0
84.04478	3.7
84.08146	2.2
84.96000	1.5
85.01415	1.2
85.02918	7.2
86.09637	1.1
87.04453	1.6
88.99117	1.2
91.05440	1.1
94.99842	1.2
97.01376	1.8
97.02897	7.6
98.97593	9.6
99.04465	1.1
99.97892	1.0
100.07582	3.1
101.00887	28.3
103.02418	2.1
107.04893	0.8
109.02884	5.0
110.10835	0.8
110.97569	1.5
113.00124	1.2
113.00867	15.9
113.04520	0.9
115.02431	6.1
116.07064	1.0
116.98576	3.2
119.01929	29.7
119.04877	1.2
120.08115	5.2
120.23740	0.8
123.05585	4.4
125.00846	1.4
126.05479	3.6
127.02469	4.6
127.03861	2.5
127.04884	0.8
128.98569	2.4
129.03958	5.1
130.06529	1.9
131.01913	25.5
131.04767	0.9
131.05559	10.9
133.03482	6.8
133.06056	2.0
136.06123	1.6
137.00871	4.4
137.02954	1.7
137.05977	2.9
138.01633	1.5
138.05440	1.3
139.02359	1.8
141.04037	1.0
143.01906	67.8
144.06461	0.9
145.01625	1.2
145.03467	13.3
146.08057	1.7
146.99617	2.7
147.01392	1.3
147.03264	1.0
147.04112	1.0
147.04970	5.4
149.02956	1.5
149.06625	11.3
154.96510	1.1
155.01909	38.5
155.05562	5.9
156.02690	2.3
157.03487	9.5
157.07562	1.6
158.99600	2.6
159.01503	0.9
159.05075	5.4
161.02963	53.1
167.01871	2.3
167.05516	3.5
169.03516	1.5
169.07076	2.7
171.05057	4.8
172.97620	4.8
173.01431	1.4
173.02986	21.7
173.06613	39.5
173.07890	2.0
175.02922	0.9
175.04478	3.4
175.08188	1.0
177.02405	1.2
177.06110	5.6
179.04022	0.9
184.04510	2.0
185.03033	8.1
185.06613	50.9
186.06996	1.1
187.04474	2.9
187.08133	8.4
189.06009	1.1
190.98628	5.1
191.02205	1.2
191.07675	15.4
195.04919	1.0
197.02905	2.1
197.06638	4.3
199.04520	1.4
199.08092	3.6
201.06020	2.0
203.04007	17.3
203.05869	1.6
203.07668	22.1
205.00142	2.4
205.09235	2.5
209.06630	2.3
215.04047	2.0
215.07668	16.6
217.05490	2.4
217.09140	2.5
218.98128	1.1
219.07040	1.3
221.05072	27.3
223.01248	1.6
223.04910	1.3
226.09341	1.1
227.07680	6.4
232.99649	4.5
233.08644	2.9
235.06619	4.2
245.05075	5.4
245.08897	1.2
249.73648	0.9
251.00652	1.4
253.07655	3.9
257.08731	7.0
263.06094	1.0
267.09140	1.1
269.05341	1.5
270.05676	1.4
273.08221	1.0
275.09781	62.3
293.10822	100.0
294.05667	2.5
294.10934	2.3
296.25571	1.0
307.08725	1.0
311.06433	1.7
312.06894	4.9
316.12381	2.8
317.07080	1.5
326.10718	1.4
335.12036	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.4
51.92524	0.3
53.03948	0.8
55.01870	5.1
55.05511	0.8
60.04530	0.7
63.93395	0.4
67.05528	1.0
68.99796	1.5
69.03438	3.0
69.07056	1.1
70.63940	0.9
71.01360	32.2
77.03954	0.4
79.05499	2.9
81.03417	0.9
81.07061	2.2
83.01347	1.2
85.02919	0.5
91.05478	1.6
93.07051	1.8
95.04963	0.6
95.08614	1.4
97.02898	15.2
97.06530	1.6
98.03664	1.0
99.04456	0.9
103.05476	2.8
105.03403	1.5
105.07039	10.7
107.04937	2.7
107.08597	1.4
109.02898	3.4
109.06567	0.7
109.10155	1.2
115.03926	2.4
115.05450	0.8
119.04926	0.6
119.08573	0.7
121.02894	1.1
121.06512	1.0
121.10194	1.0
123.04436	20.1
123.05342	1.0
125.02344	1.4
127.03924	23.2
129.07008	0.8
131.04918	2.4
131.08542	0.5
133.06496	21.5
133.10091	0.6
134.03629	0.4
135.04440	1.8
145.06479	0.8
145.10120	0.6
147.04390	2.3
147.11699	0.5
148.05174	2.4
149.02341	8.3
149.06001	5.0
149.13281	0.8
151.07585	0.9
157.06471	0.4
159.04414	1.2
160.05219	0.8
161.06010	4.2
161.13290	0.8
163.03876	2.0
164.04636	0.7
167.07030	0.5
173.06000	2.1
173.13223	0.4
175.03928	1.2
175.07526	0.6
175.14848	0.5
176.04698	1.6
177.05479	100.0
178.05757	1.0
187.03894	1.1
189.05490	0.8
191.03433	1.9
191.07042	12.1
192.04205	3.1
193.04890	2.5
201.05469	3.8
203.03374	2.4
203.07043	2.8
205.04945	1.3
209.04477	0.6
215.07104	0.7
217.04945	3.0
217.08620	1.4
219.06532	11.9
221.04527	0.9
221.08099	3.5
229.04973	13.9
229.08580	0.5
231.02734	0.4
231.06471	1.0
235.06039	2.3
243.06483	0.7
245.04482	0.7
245.08089	4.6
247.06036	87.8
248.06468	0.9
261.07663	0.8
263.05606	0.9
265.07135	5.2
271.05994	1.2
273.07571	5.3
275.05688	0.5
289.07089	3.2
293.24448	0.5
299.05530	4.2
317.06607	19.0
317.10010	0.7
317.24741	1.4
335.07816	1.4
335.12253	0.7
335.25937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.113
Annotation	Melampodin B
Peak:m/z	Relative Intensity
53.03940	2.8
55.01871	5.4
55.05516	5.7
55.17501	1.2
57.03429	3.9
65.03942	1.4
67.05494	4.5
67.54007	1.0
69.03434	2.7
69.07081	16.1
78.04744	1.3
79.05504	18.9
79.57180	1.2
81.03405	4.0
81.07070	12.3
83.04965	2.3
84.24496	1.2
86.62259	1.2
87.51784	1.1
91.05485	3.3
93.03430	2.4
93.07040	1.9
95.04969	5.4
95.08596	3.4
97.06549	93.9
103.05477	3.7
104.06231	2.0
105.07027	1.2
107.04964	2.2
107.08635	2.3
109.02888	2.1
109.10112	1.6
117.07022	1.7
119.04915	2.2
123.04458	8.0
129.07031	2.7
131.04945	14.7
132.05704	4.7
134.03607	3.5
135.04459	2.6
145.02818	1.8
145.06531	6.8
145.10133	1.4
147.04448	10.7
149.02353	2.3
149.05989	2.9
151.03951	3.3
153.07016	1.7
157.06483	3.9
157.10088	1.5
159.04430	12.2
159.08084	3.7
160.05219	9.0
161.02361	1.4
161.05984	4.6
163.03934	8.7
173.06006	6.8
173.09680	2.8
175.03928	10.1
175.07523	1.6
177.05495	13.5
181.10115	1.5
184.05109	1.3
185.05968	3.1
185.09610	1.2
187.03920	8.9
187.07529	2.2
188.08260	1.9
188.31105	1.3
189.05508	27.4
191.03384	5.2
193.04958	1.5
197.06006	1.5
198.06718	1.5
199.07567	2.7
201.05547	1.8
201.09140	33.2
202.06262	1.9
202.09930	19.5
203.03464	4.6
203.07068	24.1
203.10704	10.8
207.02879	2.6
211.07545	1.3
215.03563	1.2
216.07829	2.0
217.08589	1.2
219.02905	4.3
221.04538	4.0
225.09154	2.5
227.10670	2.2
229.05009	3.4
229.08588	10.4
231.02939	35.1
231.06477	6.6
231.10196	12.6
233.04524	3.4
243.06535	1.2
243.10263	1.4
245.08049	2.6
245.11778	42.6
247.09737	1.5
249.03966	1.8
253.08560	3.0
255.10208	11.2
257.04419	11.8
264.25882	1.4
267.04935	4.1
271.09711	14.0
273.07614	26.9
273.11215	13.1
275.06000	2.4
275.09122	18.1
281.08075	3.5
289.10748	21.5
293.06573	5.7
299.09192	27.5
312.82138	1.3
317.10217	35.2
324.27606	1.2
335.11298	100.0
336.12253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1914
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.68726	5.8
55.01881	7.2
55.05532	13.7
57.03432	14.9
57.07077	17.8
61.02925	11.7
66.05969	5.5
67.05500	13.2
67.60798	4.9
69.03432	27.7
69.07069	23.4
69.89820	14.4
69.90236	20.4
71.05008	31.0
71.30859	5.9
72.08161	13.3
73.02927	8.3
79.05508	20.7
81.03426	13.1
81.07071	28.2
83.08641	7.3
84.04507	11.4
85.02918	87.5
85.06554	10.1
86.09716	11.2
87.04507	6.1
91.05479	21.8
93.07069	36.2
95.04947	7.9
95.08605	20.7
97.02915	29.5
97.06541	22.3
98.98492	34.0
103.05510	7.2
105.07027	23.4
107.08639	30.0
108.04482	13.5
109.02892	7.8
109.06606	6.8
109.10144	10.2
110.09731	9.5
111.08036	6.9
115.03944	8.7
119.08596	22.9
121.02850	6.7
121.10130	9.3
123.04455	7.3
123.08112	8.4
125.09573	6.5
127.03940	17.4
129.07033	7.3
131.08600	9.1
133.04997	14.6
135.11716	31.1
137.05983	31.4
137.13260	9.7
138.09174	6.5
145.04959	8.0
145.10133	8.7
147.08064	12.9
147.11673	6.0
151.11227	7.0
152.64029	6.3
153.12776	100.0
154.52968	5.4
155.14304	6.9
156.10165	7.6
158.64285	5.7
161.09476	5.8
165.12764	37.4
166.05029	24.3
167.07076	38.3
168.06609	16.4
171.12097	5.2
171.13864	19.3
173.09723	8.6
174.11206	10.1
176.99069	7.4
177.12791	12.1
183.06599	10.1
189.12762	8.1
195.22098	6.0
239.05482	9.7
269.08032	11.4
279.16058	10.6
287.09567	10.6
315.09448	8.0
315.18134	16.6
333.10385	20.7
333.14105	11.4
333.20587	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.2
67.05493	1.2
69.07050	0.8
69.41853	1.5
69.42263	3.2
74.40247	0.6
79.05500	1.3
81.07056	1.0
83.04958	0.7
88.07645	1.0
91.05474	1.0
95.08616	1.0
97.06522	2.1
98.43250	0.6
98.98472	9.3
105.07033	0.9
109.10197	1.2
123.11582	0.6
137.06021	0.7
149.02379	1.0
155.35406	0.7
176.98940	2.0
193.05002	1.8
195.10008	1.0
219.13614	0.6
302.24054	2.5
303.04074	0.7
318.06363	2.4
329.85883	0.7
333.09164	4.9
333.20389	100.0
333.26074	4.4
334.20627	0.8
334.29504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01862	1.9
55.05514	4.9
56.05027	1.1
57.03426	1.6
61.02919	2.8
67.05492	1.1
69.03437	5.2
70.06580	3.2
71.01780	1.2
71.04985	2.1
73.02913	0.9
79.05492	3.4
80.07685	0.7
81.03413	2.8
81.07062	15.7
83.08619	6.3
84.04496	0.8
84.08136	2.1
85.02909	16.0
85.06535	2.6
86.09701	1.3
91.05468	1.3
93.07021	1.4
97.02886	5.3
97.06531	1.3
98.06070	1.9
98.09684	2.6
98.97601	0.9
99.04475	1.5
99.08083	1.7
108.08101	3.8
108.35455	0.8
109.02906	1.5
109.06517	14.7
110.07177	1.0
118.06922	0.7
126.09160	43.5
126.96855	0.7
127.03907	1.7
127.07558	15.9
136.07584	1.1
137.06003	2.5
145.04948	2.1
154.08636	59.6
155.07037	33.5
156.07483	0.7
172.09697	100.0
173.08076	0.7
198.07510	1.0
236.65433	0.8
316.10043	1.8
334.08585	1.1
334.11426	1.4
334.14844	1.5
347.60416	0.8
357.10162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01870	5.1
55.05523	5.6
57.03432	2.9
57.07087	5.4
63.91664	1.1
65.03936	1.4
67.05511	17.6
69.07080	8.7
70.40251	1.1
70.64297	3.6
71.04998	1.3
71.08644	11.1
72.04525	70.1
79.05498	7.1
81.07069	20.2
83.08637	2.1
85.06561	3.6
85.42606	1.2
88.07624	1.6
91.05497	13.1
92.29128	1.0
93.07050	12.9
95.04969	17.4
95.08618	19.6
97.06543	4.7
98.09666	1.3
98.98463	1.6
99.08114	5.9
100.07624	3.1
105.07047	8.8
107.08605	11.1
109.06536	24.9
109.10184	6.6
114.09177	12.9
117.07025	1.7
119.08594	5.1
121.06512	3.3
121.10161	4.3
122.51062	1.1
123.08063	2.2
123.11707	1.6
128.10735	7.3
128.11531	1.1
129.07004	1.4
131.08597	5.2
133.10110	7.8
135.08063	2.6
135.11688	2.8
137.09724	1.2
140.10788	2.3
142.12280	4.5
145.10132	4.0
147.11702	4.8
149.09601	1.2
149.13284	3.6
151.14790	1.3
154.12271	1.2
156.13861	2.9
157.10175	1.5
159.11678	2.7
160.48935	1.1
163.11285	1.4
163.14848	2.7
165.12770	100.0
168.13817	1.3
173.13289	7.1
175.11209	4.4
177.12758	1.5
179.14349	1.4
180.13847	3.5
182.15417	13.9
184.13341	2.4
184.16962	1.4
187.14816	1.4
191.14305	7.9
201.12720	5.9
212.16518	9.6
220.16986	12.1
229.19586	3.6
236.20122	38.5
243.21245	1.2
271.20743	6.3
289.21701	7.2
316.26389	7.8
334.27441	72.5
335.22067	2.2
335.25671	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.5
54.28876	3.9
55.01872	14.2
55.05510	22.4
57.03431	14.2
57.07070	6.8
59.04996	5.8
59.57733	4.2
60.51164	3.4
61.02932	6.8
65.03926	4.9
67.05502	12.7
69.03444	19.4
69.07076	28.9
69.37872	29.7
70.06598	20.0
71.04650	5.2
71.05001	44.8
72.08154	11.8
72.44612	4.3
73.02926	10.2
79.05529	21.4
81.03417	14.0
81.07071	37.9
83.04969	11.5
83.08614	6.9
84.04522	5.5
84.08125	11.6
85.02917	83.2
85.06548	4.6
86.09704	10.1
91.05484	29.2
93.07055	46.3
93.80489	4.5
94.06560	5.5
95.04954	10.9
95.08615	27.1
96.04507	14.7
97.02916	20.1
97.06536	16.0
98.98479	48.1
99.82694	4.4
103.03967	6.4
103.05475	7.2
104.12262	3.8
105.07035	37.0
107.04975	5.9
107.08603	52.5
109.02894	13.1
109.06525	8.9
109.10179	11.8
111.04446	5.4
111.08099	5.1
113.09656	4.5
115.03962	6.5
115.05459	6.5
116.07136	3.9
117.06993	11.3
119.08583	37.7
120.08121	16.9
121.02856	8.1
121.06552	8.5
121.10165	5.2
122.06077	6.6
123.04486	6.0
123.05596	6.8
123.08076	9.3
124.04006	6.0
124.07548	4.7
125.07944	6.9
127.03929	19.1
129.05467	6.8
129.07033	5.7
129.10287	4.5
130.06526	6.4
131.08568	16.9
133.04980	13.7
133.06519	9.8
135.08075	9.5
135.11717	36.6
136.06216	4.0
137.06001	11.3
137.13278	10.5
140.07074	11.6
141.07327	4.5
143.08580	13.8
145.04916	8.3
145.10110	18.9
146.06053	10.2
147.08060	24.4
147.11702	4.9
149.09656	12.6
151.11211	4.0
153.07195	4.1
153.09122	8.7
153.12767	100.0
155.08531	3.9
159.08086	8.7
159.11693	6.7
161.05977	6.7
163.07552	6.4
163.11151	5.6
165.12729	29.5
167.07094	15.9
167.08543	5.0
169.10182	4.0
171.10213	9.9
171.11726	5.3
171.13808	4.2
173.09604	21.3
173.13240	14.4
175.07582	10.3
176.98933	8.4
177.12772	8.5
183.02922	6.2
183.08070	4.3
186.09180	7.7
189.09135	4.7
189.12752	14.8
190.04971	5.0
191.10686	7.3
192.05630	14.4
197.07120	17.3
197.13278	4.3
198.07906	7.2
207.13918	4.8
213.06709	10.9
213.08994	4.9
219.13884	10.2
223.08765	8.3
227.08284	9.1
231.13904	7.1
243.10046	4.3
243.13799	6.8
245.04422	4.8
248.03122	4.2
250.31367	3.9
251.08290	12.2
261.14880	9.6
269.09058	13.6
279.15967	9.5
287.10184	24.0
297.08316	7.1
297.16837	13.4
315.09714	34.4
315.13174	6.5
315.17874	19.2
333.06055	13.4
333.10751	81.7
333.14746	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03942	3.6
55.01878	2.9
55.05515	3.5
57.03449	11.7
57.06831	2.2
57.07085	23.0
59.05004	10.6
61.02927	11.1
65.08985	2.1
67.05524	11.4
68.82066	1.8
68.99780	2.3
69.03437	31.4
69.07076	13.3
69.48180	12.5
71.04979	7.5
73.02917	7.2
79.05495	3.5
81.03419	11.9
81.07061	8.4
83.01337	2.3
83.04955	2.8
83.08634	4.9
85.02914	92.6
85.06556	16.7
85.10184	2.5
87.04461	5.2
91.03961	5.6
91.05476	3.3
93.07043	5.3
95.04945	6.1
95.08615	68.5
97.02901	30.4
97.06496	10.0
98.21519	3.9
98.98462	8.1
99.04455	5.1
99.08096	16.4
100.95957	2.0
107.08600	9.3
109.02877	12.8
109.06516	11.8
109.10162	24.0
111.08092	8.5
113.09655	100.0
123.04388	3.5
127.03912	21.4
127.11204	49.9
129.06995	3.8
135.11716	18.6
137.05994	4.7
137.13258	5.2
138.05551	3.7
141.06984	3.3
143.08521	2.4
145.02924	3.1
145.04973	24.2
150.05524	8.7
152.06218	4.4
153.05608	2.1
153.07005	2.8
153.12764	92.5
155.14325	18.4
161.05946	4.3
163.05957	2.2
167.07043	8.1
167.08578	12.0
169.06406	3.2
171.08134	2.1
171.12411	3.7
171.13812	62.1
173.05997	3.2
175.07576	2.8
175.30840	2.1
177.06879	2.4
177.12782	3.9
178.07797	5.1
179.08467	9.9
181.06396	4.5
185.05904	4.7
187.07521	5.7
189.09044	5.7
191.03322	4.6
195.08078	9.4
195.13776	2.1
197.05943	5.5
197.09550	3.2
198.06787	3.1
199.07518	7.1
201.10376	4.8
204.07787	3.4
207.08105	5.4
210.06766	5.7
211.07593	5.1
213.05453	5.1
213.09052	11.0
213.14919	5.1
217.08749	2.4
223.07516	9.5
225.05324	2.6
225.09038	12.9
227.07039	6.6
229.08553	3.0
241.08601	15.0
243.06654	3.7
243.10188	9.5
245.08086	3.6
251.07039	11.1
253.08752	4.1
255.06604	5.1
260.49194	2.8
269.08081	32.0
271.06076	2.5
273.07510	10.3
279.06665	2.6
287.09119	16.7
297.07614	26.9
297.16931	2.6
301.11774	3.1
301.37216	2.1
315.08707	13.2
315.12885	3.9
333.05493	2.5
333.09125	17.3
333.14294	5.1
333.18839	27.1
340.46732	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73086	1.6
55.05517	12.2
57.03455	8.0
57.07082	100.0
57.36814	1.7
67.05179	2.6
67.05511	27.0
67.92443	1.6
69.07080	19.5
70.06586	5.2
70.11308	6.5
71.08640	77.7
75.04467	2.7
81.07069	34.7
83.08626	31.8
85.10191	40.1
88.07654	8.0
89.06013	2.0
89.15826	1.6
90.83171	1.4
93.07047	2.2
95.08614	55.4
97.10184	11.5
98.98475	88.9
99.11768	3.6
100.98926	1.5
106.08668	4.7
109.10152	25.2
111.11729	3.9
116.99543	2.6
123.11697	12.1
125.13239	4.3
127.03909	5.2
137.13286	5.9
148.05382	1.9
151.14850	2.8
172.77385	1.8
174.99257	2.6
176.98943	6.7
221.22661	2.6
239.23727	28.4
245.04472	9.7
252.99867	2.1
257.24762	6.4
269.04535	2.4
273.04001	14.1
284.03149	3.7
298.04807	3.1
299.05554	3.0
301.03500	15.9
313.27390	70.1
313.32983	4.9
315.05075	5.7
316.05795	46.3
317.05829	2.1
331.08151	78.6
331.34018	69.2
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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21403	1.5
55.05518	11.6
57.03433	8.1
57.07080	100.0
67.05180	2.2
67.05511	25.4
69.07071	18.7
69.81115	3.2
69.81518	5.5
70.06581	3.8
71.08638	67.5
74.08910	1.8
75.04459	2.4
81.07061	32.7
83.08618	28.2
85.10186	31.9
88.07645	2.8
89.06056	1.8
95.08614	52.7
97.10181	11.9
98.98477	51.1
99.11752	2.8
100.98884	2.2
102.09155	2.0
106.08675	3.0
109.09463	2.9
109.10163	28.8
111.11718	4.9
123.11710	11.6
125.13258	2.9
125.26672	1.9
126.37913	1.5
126.74257	1.6
127.03975	8.5
137.13252	5.6
139.14819	1.7
151.14857	1.7
155.82487	1.5
168.00482	2.0
174.99300	2.0
176.98936	4.8
189.05676	1.8
206.29256	1.5
221.22675	1.8
239.23688	26.2
245.04427	10.0
257.24768	7.3
269.04260	2.1
273.03888	9.6
284.03082	1.9
287.05502	2.4
298.04779	3.6
301.03552	10.4
313.27386	71.7
313.32895	3.6
315.05042	3.5
316.05829	39.4
331.08133	72.3
331.34021	43.0
332.08517	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03944	1.3
54.71336	0.6
57.03428	2.4
61.02919	2.6
65.03954	1.2
67.05507	2.5
69.03439	9.1
71.05019	0.9
71.50453	1.0
73.02920	1.9
79.05507	1.2
81.03421	2.6
81.07049	0.8
85.02908	8.9
87.04475	3.5
96.08149	0.8
97.02904	5.8
98.97570	2.4
99.04457	1.0
101.00919	0.7
101.02425	0.8
104.10745	1.1
106.06567	5.2
108.08127	89.0
109.02915	1.1
112.99133	2.1
115.03944	1.8
118.40044	0.6
119.01885	0.6
123.06841	3.7
124.07604	16.3
127.03915	1.6
133.04971	1.6
134.06029	22.4
136.07593	14.2
148.41933	0.7
148.98929	0.7
150.05550	1.6
152.07080	100.0
154.08621	1.6
155.02040	0.8
156.01947	0.7
158.99585	0.6
169.04372	0.9
170.08139	34.7
173.01337	0.8
174.03226	0.7
178.04958	3.0
210.03188	0.6
235.06520	1.4
237.03064	0.7
242.08418	0.8
250.07111	1.0
259.16708	0.8
266.08359	1.9
288.81717	0.8
314.12354	35.0
315.12610	0.7
332.09943	2.8
332.13428	73.2
333.14023	0.7
336.12085	0.9
337.08167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	30.3
59.01257	0.8
67.05492	0.9
68.77158	0.8
69.14630	10.2
71.95258	4.4
72.96040	1.7
74.97609	1.7
79.05476	1.4
81.07042	1.8
84.96020	3.2
91.05434	1.0
97.96816	2.2
98.97577	1.9
98.98458	13.0
100.98872	1.2
105.00132	1.2
105.07015	1.7
110.97574	16.8
112.99084	0.9
115.97859	1.0
116.98639	1.0
117.06919	1.2
119.08601	1.1
123.01206	1.0
124.99149	0.9
128.98621	18.0
131.00017	2.2
131.08594	1.0
137.02756	1.9
140.98456	2.8
143.00093	3.0
146.99620	6.3
152.00195	2.1
153.02197	0.9
161.01207	2.3
170.01306	1.4
170.99597	0.9
171.03282	1.7
173.04823	0.8
174.98991	2.0
176.98888	2.3
177.02151	1.1
183.03250	1.3
185.04855	1.7
189.00684	2.2
189.04333	1.0
191.00066	1.2
191.91116	1.1
198.97737	0.8
199.06523	1.0
205.05295	1.0
205.07378	1.3
217.07458	1.4
225.07990	1.0
227.09415	1.5
245.08574	1.2
249.04112	1.0
259.12268	1.1
263.09592	4.0
265.10880	1.9
287.12820	1.1
303.12677	2.5
313.14960	1.0
315.16318	68.1
318.06378	2.4
331.15823	2.5
333.08768	4.1
333.14020	3.8
333.17365	100.0
333.24106	3.0
351.18427	12.7
356.19012	22.4
357.18964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01869	0.7
55.05508	1.1
56.24767	0.5
57.03429	0.6
65.03931	0.7
67.05510	3.8
68.05016	1.2
69.03434	1.5
69.07072	6.1
70.06596	2.1
71.34856	0.7
71.35189	0.8
73.33566	0.4
76.02234	0.7
77.03944	0.7
79.05477	1.5
80.05033	1.0
81.03407	1.3
81.07041	1.6
83.04977	1.1
83.06116	0.4
83.08611	1.0
84.08134	0.9
85.02894	2.0
86.09687	1.2
87.04485	2.3
88.04786	1.1
89.03930	0.8
91.05474	1.4
93.03470	0.6
93.05761	0.7
93.07032	1.5
94.06578	19.2
95.04993	3.2
95.08588	0.5
96.04507	0.5
97.02906	1.0
97.06537	1.0
98.06030	0.6
98.98477	33.0
105.06985	0.5
107.04948	0.6
107.08613	0.5
108.08095	1.6
109.02885	1.1
110.06040	4.0
111.04490	0.5
111.08105	0.9
112.07600	2.4
113.05988	0.5
116.04992	2.8
118.06528	0.8
119.08581	0.6
120.04491	0.6
120.08123	0.5
121.06512	0.7
122.06039	35.8
123.04431	1.8
124.07578	1.5
127.03931	16.0
129.06624	0.6
134.06010	0.9
138.09070	0.7
139.07495	0.4
139.09428	0.8
140.07082	51.0
141.07916	2.5
142.08633	0.8
144.04474	7.7
146.06020	23.4
148.03957	0.5
148.07591	9.3
151.08684	0.6
154.08583	0.5
162.05521	3.5
169.07619	1.2
172.03944	23.6
173.04553	0.5
174.05484	2.5
174.99220	2.2
175.09607	0.7
176.03404	0.9
176.98901	2.7
184.13368	0.5
190.05006	100.0
191.05487	1.2
192.06569	9.9
195.02899	2.2
198.11224	1.0
199.11584	1.5
200.13968	0.5
242.11816	0.8
245.04445	2.0
245.12210	0.7
246.04533	0.5
251.50740	0.5
252.99820	0.9
256.03625	0.5
267.11340	0.6
271.06134	1.2
273.04019	2.8
284.28522	0.5
285.12494	0.5
286.10736	2.5
287.13779	0.8
298.04556	0.6
299.05569	0.5
301.03537	3.0
301.81607	0.5
313.11960	5.7
314.10233	0.5
315.05020	1.2
316.05774	7.5
316.09183	0.6
331.04227	0.8
331.08139	14.7
331.12885	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	331.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67842	0.5
53.03952	0.9
55.01884	1.7
55.05525	0.8
56.46796	0.5
56.96566	0.9
57.03440	1.3
57.07072	2.0
60.98112	0.5
61.02930	0.9
62.26053	0.6
66.29273	0.5
67.01881	0.8
67.05515	1.6
68.99796	1.1
69.03433	1.9
69.07082	1.5
69.58160	3.7
70.06608	1.1
71.04993	1.1
71.08641	1.5
72.08163	1.7
73.02951	1.1
79.05508	1.9
81.03426	2.1
81.07076	1.3
83.06085	1.0
84.04509	1.5
84.08156	2.5
85.02914	6.5
85.10197	0.9
86.09718	7.7
88.02227	2.4
90.05564	1.3
91.05515	1.7
93.07070	1.3
94.06580	1.2
95.04970	1.7
95.08655	1.0
97.02914	4.3
98.98483	100.0
99.04451	0.8
99.80093	0.6
100.98911	2.6
103.03950	2.2
107.04951	3.2
109.02895	3.0
111.04502	1.0
116.45443	0.6
116.99518	1.9
119.05007	0.9
121.02895	1.8
121.06606	0.9
122.06036	2.2
123.04445	2.2
127.03947	12.7
129.10262	0.8
132.95865	0.6
134.02727	1.0
135.04439	1.4
137.05974	1.3
139.03932	2.1
139.07559	1.3
140.07072	3.4
144.06540	0.6
145.06552	1.0
146.06050	1.8
147.04407	4.7
151.03941	7.0
152.07124	1.7
157.04984	2.2
157.06412	0.8
161.06018	0.7
163.03893	5.2
165.05521	3.5
169.04993	6.4
169.06517	0.6
169.07001	0.7
169.09784	1.9
170.08118	1.6
170.09590	0.6
172.04047	1.4
173.06055	0.9
174.99277	4.4
175.03987	2.5
176.98959	10.6
177.53191	0.6
181.04994	13.2
181.06534	1.1
185.05978	0.8
187.03972	1.7
188.07024	0.7
189.05566	2.7
190.05022	7.2
192.06627	0.9
193.05005	23.8
193.06764	1.2
193.77481	0.6
195.02931	2.1
196.14481	1.0
197.12984	1.1
201.05402	0.6
202.08672	1.3
202.96440	0.6
203.13826	0.6
205.05057	3.2
207.06577	5.8
209.04480	0.7
211.06049	18.6
213.05618	0.9
216.10242	0.8
217.04935	1.6
223.06358	0.6
229.04974	3.7
231.06509	1.1
235.06036	16.7
241.04982	2.0
247.03517	1.0
247.06055	18.5
249.07710	1.2
252.99915	1.9
254.99597	0.9
259.06049	8.2
263.95743	0.8
265.07138	2.7
267.11200	0.8
277.07178	4.7
285.07590	3.0
285.12314	1.1
295.08151	3.4
313.08914	1.2
313.12000	2.1
316.06012	0.7
327.99377	0.8
331.04529	0.7
331.09186	1.3
331.13104	10.8
332.13547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.99664	0.3
60.73101	0.3
63.63665	0.3
64.27151	0.3
70.32032	1.1
78.99055	0.3
94.58156	0.3
98.98421	0.8
109.02821	0.4
122.03654	0.3
124.05188	1.0
134.03535	0.3
134.18283	0.3
135.04414	0.4
142.16396	0.3
151.03879	1.3
153.01805	1.4
172.02548	0.3
172.60454	0.3
187.03899	0.3
189.05405	0.5
217.04973	4.6
228.04105	0.9
229.04945	0.4
230.05879	0.4
243.06448	0.3
245.04468	11.2
255.02722	0.4
257.04483	1.0
258.05255	0.6
269.04529	0.5
270.05222	0.9
271.06039	0.7
273.03946	12.0
285.04019	1.0
286.04764	0.5
287.05524	2.9
288.06342	2.2
298.04678	0.6
299.05518	1.0
300.02707	2.1
301.03439	20.4
315.05002	14.8
316.05792	64.5
317.06024	0.5
331.08139	100.0
332.08530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01860	0.2
55.05516	0.1
57.03192	0.1
57.03443	1.7
61.02916	0.2
67.05497	0.2
68.02644	0.1
68.99797	0.6
69.03435	0.3
69.07068	0.1
69.43243	0.4
69.43663	0.2
70.06583	0.1
71.05006	0.1
73.02921	1.2
75.16618	0.1
79.05505	0.1
81.03411	0.2
81.07044	0.1
83.04977	0.2
84.08131	0.1
85.02907	1.0
86.09694	0.2
91.05482	0.1
93.07030	0.2
95.04943	0.3
95.08594	0.1
96.02103	0.4
97.02882	0.3
98.98471	8.1
100.98911	0.2
105.03404	0.4
105.07023	0.1
107.01289	0.1
107.04965	0.2
107.08637	0.2
108.02146	0.1
109.02946	0.1
109.06541	0.1
109.10168	0.2
111.04452	1.7
115.03945	0.1
115.05500	0.1
116.99497	0.2
117.03407	0.1
119.04915	0.1
120.02124	0.1
121.02840	0.2
122.03648	0.2
122.05959	0.1
123.00792	0.3
123.11690	0.1
125.02365	0.1
126.03123	0.1
127.03928	0.9
128.06180	0.1
131.04942	0.1
133.02846	0.6
134.03584	0.1
135.04414	2.3
135.05421	0.1
137.05972	0.4
138.03110	0.1
139.03915	2.1
139.05492	0.1
140.04678	0.1
141.07011	0.1
144.05650	0.2
145.06493	0.1
148.25143	0.1
149.02344	0.6
149.05977	0.1
150.03133	1.8
151.03935	1.3
151.05026	0.2
152.01047	1.2
153.01765	0.2
155.04959	0.5
156.05588	0.1
158.03737	0.1
162.03116	0.5
163.03912	0.4
164.04684	0.7
165.05489	0.3
166.02660	0.3
167.03410	13.2
169.01357	0.3
169.06580	0.3
169.12271	0.5
172.03960	0.2
172.05200	0.7
173.05949	0.2
174.99226	0.4
175.03960	0.1
175.07545	0.1
176.01044	0.1
176.98946	1.0
177.01917	0.3
177.05444	0.9
179.03404	0.9
181.06537	0.1
183.04420	0.6
184.03687	1.0
184.05237	0.3
186.03137	0.4
187.03958	0.5
187.07559	0.7
190.04944	0.3
190.06354	0.2
191.03404	4.0
192.04233	0.1
193.04968	0.6
194.02121	0.6
195.04362	0.2
197.05963	0.3
199.03940	0.4
200.04698	1.6
201.05441	0.5
201.09013	0.1
202.02664	0.3
203.03516	0.1
204.04149	0.3
205.04953	1.3
211.03909	1.0
212.04745	0.8
213.01831	0.2
213.05344	0.1
214.06184	0.2
215.07031	0.8
216.07970	0.1
217.04982	3.7
218.05719	1.8
219.06528	4.3
223.06042	0.4
225.05513	0.2
226.06253	0.3
227.03409	0.4
227.07027	0.5
228.04175	6.3
229.05026	0.6
229.12053	0.1
230.05939	0.1
231.02876	0.3
231.06497	0.4
239.03410	0.9
240.04131	0.4
241.04921	0.4
241.08562	0.1
242.05725	1.8
243.06540	11.6
244.04095	0.1
244.07001	0.3
245.04472	2.1
246.05257	0.4
247.03725	0.1
247.06026	1.1
252.99860	0.2
253.04826	0.2
254.05698	0.2
254.99742	0.1
255.02899	0.4
255.06488	0.8
256.03687	2.9
257.04562	0.3
257.08054	1.0
258.04987	0.1
259.06052	0.4
260.06772	0.1
261.07608	0.4
267.02930	0.4
268.03604	0.1
270.05206	1.2
271.06024	13.4
272.06631	0.4
273.03909	0.7
274.04803	0.1
275.09143	1.1
281.04388	0.1
283.02432	0.7
284.03159	4.0
285.07550	2.1
287.05450	0.3
287.08740	0.2
288.06271	0.5
298.04745	2.0
299.05511	11.2
300.05936	0.2
301.03455	0.7
303.04999	0.7
303.08691	0.4
304.05139	0.1
313.07013	1.3
313.11084	0.1
313.11771	0.1
315.05145	0.2
316.05786	8.4
331.08121	100.0
332.08423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
50.41221	0.2
51.62186	0.2
61.22816	0.2
67.05473	0.2
69.44521	1.4
79.23627	0.2
81.07037	0.4
86.09692	0.3
93.07018	0.3
93.34222	0.2
98.21523	0.2
98.98478	7.4
99.00837	0.5
105.07056	0.3
107.04980	0.3
109.02895	0.3
110.72340	0.2
118.04146	0.7
119.04951	1.4
121.02873	1.2
121.45005	0.2
127.03941	1.0
134.03642	0.5
144.05655	0.2
146.26428	0.2
147.04443	0.5
154.99768	4.9
157.06520	0.2
158.07256	0.8
161.06000	0.6
162.03165	1.6
165.06934	0.2
168.00563	0.3
168.05675	0.3
169.06529	0.6
171.04434	0.5
174.99158	0.3
176.98926	0.8
181.06497	0.2
182.99211	0.6
185.05965	0.6
186.06755	0.5
190.05037	0.3
195.05486	0.4
196.05234	0.2
197.05989	0.5
198.06766	1.1
199.03922	0.3
213.05408	1.9
214.06271	2.4
217.04932	0.4
219.97205	0.2
225.05489	0.7
226.06357	1.1
227.03346	0.5
241.05107	0.2
242.05861	0.4
245.04417	1.1
267.07101	0.2
269.04419	0.8
270.05228	2.5
271.09647	0.3
273.03967	20.2
284.03210	0.4
285.04037	0.3
285.08130	0.4
287.05557	0.5
295.07135	0.2
297.03961	0.2
298.04755	18.8
298.20117	0.2
299.05408	0.2
301.03461	65.6
302.03760	0.7
308.12527	0.2
313.08188	1.3
315.04898	0.9
316.05814	17.3
317.06085	0.2
331.08154	100.0
332.08536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
65.03946	0.1
68.76443	0.1
68.99798	0.1
69.45695	0.2
69.46100	0.6
71.01366	0.2
83.09655	0.1
91.05511	0.2
98.98473	1.3
99.00823	0.5
107.04936	0.2
118.04166	0.6
119.04958	1.9
121.02866	1.3
127.03899	0.3
133.06451	0.1
134.03638	0.2
147.04422	0.3
154.99760	6.7
157.06470	0.4
158.06148	0.1
158.07256	0.7
161.05988	0.6
162.03149	1.1
168.00572	0.2
168.05730	0.4
169.06506	0.2
171.04398	0.6
172.05130	0.1
176.98932	0.1
182.99307	0.4
185.05992	0.8
186.06828	0.5
195.04416	0.1
197.06050	0.2
199.03850	0.6
201.00310	0.1
213.05492	1.9
214.06256	2.1
217.05006	0.3
224.04738	0.1
225.05365	0.1
226.06291	0.2
227.03427	0.6
241.05048	0.3
242.05829	0.5
245.04465	0.3
253.35689	0.1
269.04517	0.9
270.05258	2.2
271.06024	0.1
273.03952	23.2
274.04367	0.3
283.02777	0.1
285.03812	0.2
285.07526	0.2
286.04672	0.2
287.05728	0.2
297.03995	0.4
297.32953	0.1
298.04739	17.8
299.05075	0.3
301.03439	76.1
302.03815	1.1
313.07080	0.2
315.04993	0.4
316.05795	16.0
317.06161	0.2
331.08127	100.0
332.08502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0816
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.41791	0.2
56.21370	0.2
59.09122	0.2
59.76430	0.2
68.99774	0.9
69.40268	0.4
69.40678	1.4
96.72157	0.2
98.20848	0.4
105.03360	0.7
107.04922	0.5
113.94409	0.2
115.05482	0.2
115.96931	0.2
131.04924	0.8
133.02870	0.9
134.03607	0.4
135.04425	0.5
139.00255	0.7
147.04381	0.3
148.05231	1.6
149.05922	0.2
153.01826	0.3
159.04349	0.2
166.99802	1.2
168.00627	1.8
169.01358	1.1
171.04443	0.5
172.05092	0.3
175.03932	1.1
185.00858	1.2
186.01605	0.6
186.06808	0.2
189.05370	0.2
194.02113	0.6
199.03951	0.6
200.04655	0.8
201.05646	0.2
203.03448	0.3
214.06302	0.3
217.04901	0.5
227.03392	0.4
228.04103	0.5
229.04964	0.4
231.03058	0.2
241.04961	0.5
242.05721	0.5
245.04503	14.8
253.04945	0.3
255.02916	0.7
256.03738	2.1
257.04404	0.7
258.05182	0.3
259.06036	0.7
260.06836	0.3
269.04456	2.0
270.05225	1.3
271.06046	0.8
273.03983	14.1
281.04526	0.3
283.02405	0.3
284.03189	3.0
285.04031	0.6
285.07358	0.2
286.04532	0.2
287.05536	2.9
288.06320	0.5
297.03955	0.3
298.04782	2.0
299.05524	1.9
300.02753	0.6
301.03482	9.6
315.05048	5.4
316.05826	41.1
317.06290	0.3
331.08170	100.0
332.08615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0816
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
54.32014	0.3
55.99736	0.3
63.92878	0.3
68.99800	0.8
69.40269	0.8
69.40664	2.4
71.64249	0.3
78.60011	0.3
89.27204	0.4
103.98947	0.3
105.03416	0.8
107.04998	0.5
115.72720	0.3
131.04959	0.7
133.02859	1.0
134.03670	0.7
148.05186	0.6
166.99786	0.9
168.00533	2.0
169.01355	1.0
169.87132	0.4
175.03972	1.2
185.00937	1.2
186.01607	0.7
194.02116	0.9
199.03979	0.7
203.03458	0.5
214.06279	0.5
217.05084	0.8
227.03389	0.5
228.04138	0.5
229.05042	0.6
242.05754	0.6
245.04485	18.4
255.02898	0.9
256.03708	1.2
269.04456	1.0
270.05383	0.9
271.05951	0.7
273.03986	19.2
284.03281	1.4
285.03897	0.5
285.07721	0.5
286.04916	0.6
287.05551	2.1
288.06494	0.5
297.04108	0.5
298.04843	3.6
299.05603	1.4
301.00653	0.4
301.03458	17.0
315.04996	6.0
316.05823	48.8
329.86099	0.4
331.08160	100.0
332.08545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0815
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.99520	0.1
66.39315	0.2
68.99818	0.6
71.16563	0.2
75.80677	0.1
85.02932	0.2
85.19182	0.1
97.02894	0.2
98.98492	1.3
99.00816	0.2
105.03409	0.4
107.04977	0.3
118.04184	0.2
119.04942	0.4
121.02882	0.3
131.04974	0.4
133.02907	0.7
134.03668	0.6
135.04453	0.2
137.02391	0.2
139.00302	0.3
140.01074	0.2
147.04466	0.3
148.05217	1.3
151.03990	0.3
153.01878	0.5
154.99748	1.5
161.05988	0.2
162.03140	0.2
166.99846	0.6
167.07140	0.2
168.00562	1.6
169.01331	0.9
169.07767	0.2
171.04437	0.4
175.03947	0.6
177.05388	0.2
179.03548	0.2
182.02159	0.4
183.02991	0.3
185.00826	0.8
185.06007	0.2
186.01625	0.4
186.06865	0.3
194.02156	0.7
197.05885	0.2
199.03951	0.4
200.04710	0.7
203.03522	0.3
208.05322	0.3
209.05582	0.8
213.05511	0.6
214.06325	0.6
217.05040	0.7
224.04742	0.2
227.03456	0.3
228.04234	0.4
229.05031	0.4
241.04942	0.5
242.05850	0.5
245.04504	10.4
253.05072	0.2
255.02907	0.6
255.06064	0.2
256.03757	1.7
256.07227	0.2
257.04565	0.5
258.05344	0.2
259.06152	0.5
260.06796	0.3
269.04492	1.3
270.05289	2.0
270.08478	0.4
271.05988	0.8
271.09631	0.1
273.03986	17.2
280.44177	0.1
281.04413	0.3
283.05536	0.2
284.03229	2.7
285.04013	0.8
285.07333	0.2
285.07852	0.3
286.04874	0.2
287.05545	2.6
288.06308	0.7
297.03925	0.3
298.04770	6.0
299.05643	1.7
299.09015	0.2
300.02676	0.4
301.03479	26.9
302.03748	0.3
310.08975	0.4
313.08160	0.8
315.05023	5.3
315.08408	0.3
316.05823	45.3
316.08716	2.2
317.06128	0.5
331.08157	100.0
332.08521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
61.71435	0.2
68.99799	0.5
70.64611	0.6
72.08163	0.4
79.05492	0.2
81.03434	0.2
81.07030	0.2
93.07053	0.2
98.98478	6.9
99.79606	0.2
103.61762	0.2
105.03391	0.4
107.04966	0.4
119.04934	0.3
121.02876	0.7
127.03936	0.7
131.04945	0.5
133.02843	0.9
134.03654	0.4
135.04404	0.4
137.02318	0.3
137.06000	0.2
147.04482	0.3
148.05173	1.0
149.06001	0.3
153.01845	0.4
154.99771	1.6
157.06462	0.2
162.03151	0.3
165.01952	0.2
166.99741	0.7
167.03479	0.3
168.00560	1.5
169.01300	1.1
169.07719	0.2
171.04416	0.4
172.05254	0.2
174.99203	0.3
175.03903	0.7
176.98953	0.7
179.03442	0.2
182.02200	0.3
185.00851	1.1
185.05952	0.3
186.01610	0.4
189.05385	0.3
194.02080	0.5
195.05788	0.2
199.03900	0.6
199.10820	0.2
200.04716	0.4
203.03371	0.3
204.54607	0.2
213.05521	0.7
214.06241	0.7
217.05031	0.6
227.03467	0.3
228.04309	0.5
229.04825	0.4
241.05005	0.2
242.05748	0.7
245.04485	10.3
248.60179	0.2
253.04979	0.3
255.02963	0.5
256.03641	1.9
257.04547	0.5
259.05966	0.6
260.06863	0.3
269.04382	1.5
270.05252	1.8
271.05927	0.9
272.03195	0.2
273.03958	16.5
274.86993	0.2
281.04535	0.4
284.03171	2.8
285.04044	0.4
285.08533	0.8
285.11893	0.2
286.04715	0.3
287.05447	2.1
288.06299	0.4
295.07224	0.3
297.03766	0.4
298.04758	6.8
299.05502	2.4
301.03448	28.2
302.03864	0.4
313.08173	1.4
313.11603	0.3
315.05014	4.7
316.05795	41.7
317.06143	0.6
331.08142	100.0
332.08527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97716	2.1
57.03428	6.9
66.10606	2.2
67.04253	2.6
69.03439	17.1
70.06572	2.9
70.54322	2.3
71.50427	3.1
71.66964	2.1
72.08144	2.4
73.02900	3.5
82.06589	26.5
84.08137	6.9
85.02905	18.0
86.09708	4.1
87.04478	9.2
92.86847	2.4
97.02888	14.4
100.07625	41.2
101.00856	5.2
101.07997	2.6
106.06551	2.6
108.08122	5.8
113.00941	3.0
115.03932	6.9
119.01920	4.9
127.03934	4.3
131.01891	3.5
133.04997	6.4
137.00758	2.5
139.02434	2.9
143.01927	5.5
145.03462	12.9
146.08144	4.5
150.05531	9.7
151.05876	7.9
152.07066	17.8
155.01901	5.2
157.03529	8.7
161.02966	4.4
167.01924	2.8
168.06642	3.5
169.09673	7.9
170.08127	4.2
173.02986	12.5
174.04501	2.4
185.03033	7.8
186.06038	2.6
197.03059	4.7
203.04073	5.3
209.03102	2.5
215.04079	2.9
221.05174	2.6
231.07196	3.4
232.06532	3.0
235.06635	7.4
239.04129	2.3
245.05161	3.2
253.07761	4.4
257.04977	3.9
275.06210	3.1
277.07828	2.3
295.69199	2.7
299.05887	2.5
313.12582	3.1
317.07132	4.3
319.08591	3.4
331.07986	100.0
331.13568	44.2
332.13483	4.4
349.06235	3.4
349.09875	17.1
349.14658	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62294	1.9
52.11700	1.9
53.03961	5.9
55.01868	8.0
55.05516	36.4
57.03443	20.8
57.07074	9.6
57.36814	2.2
59.05011	2.7
61.01143	2.6
64.55461	2.8
65.03950	3.5
67.05508	100.0
69.03442	4.6
69.07075	37.3
70.04079	3.7
70.11088	4.2
70.11475	5.4
71.05006	8.3
71.08641	6.8
73.06569	2.5
79.05495	44.3
81.03451	11.4
81.07065	82.8
83.04995	19.7
83.08624	31.7
83.91337	2.3
85.06548	5.5
85.10185	4.2
87.04483	8.7
91.05486	30.9
93.07044	43.4
95.04979	14.2
95.08613	42.6
97.06546	12.8
97.10169	19.9
97.71235	2.4
98.98475	68.8
99.08130	6.3
101.06030	2.9
105.07040	19.9
107.08608	25.3
109.06499	4.3
109.10167	52.4
111.08102	9.7
111.11709	3.0
111.46490	2.6
117.07037	2.3
119.08600	16.4
121.10168	17.4
123.08069	6.4
123.11731	10.9
124.32758	2.6
125.09649	14.5
129.07007	2.8
131.08597	6.9
133.10106	11.7
135.08055	5.7
135.11693	8.3
137.09636	11.1
139.11200	24.9
140.14348	5.9
141.12842	3.2
143.08636	3.2
145.10120	3.1
147.11717	11.5
149.09549	2.6
149.13268	4.9
153.12932	2.7
154.12268	3.1
155.10695	23.7
157.10164	4.0
161.13261	8.3
163.14813	3.1
165.12796	5.6
173.11751	47.7
173.13217	5.1
174.99287	4.5
175.11182	3.4
175.14854	5.9
176.98932	3.8
189.11212	7.4
193.12227	6.8
211.13287	15.0
227.89174	2.6
241.19470	3.2
245.04581	4.1
259.20566	4.7
273.04095	3.3
277.21649	47.8
295.22717	34.7
301.03403	6.5
316.05835	15.1
330.26724	4.4
330.30054	10.6
330.33560	3.8
331.08133	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.1
53.12995	1.6
55.01872	4.2
55.05512	19.4
55.28332	1.6
57.03440	12.0
57.07076	4.8
58.57530	1.3
59.04997	2.6
67.05508	56.3
69.03440	1.8
69.07079	16.0
69.81729	8.7
71.04995	6.0
71.08636	4.6
72.08139	1.5
73.20941	1.4
79.05492	20.6
81.03424	4.1
81.07063	40.8
83.04988	10.7
83.08627	12.8
85.06535	2.9
87.04478	7.3
88.07623	2.4
91.05488	16.2
91.06039	2.2
93.07042	26.0
95.04957	3.9
95.08612	19.2
97.06534	5.8
97.10179	5.3
98.98470	100.0
99.08097	4.0
105.07010	8.3
107.08592	13.1
109.06535	1.6
109.10158	45.0
111.08089	3.7
117.07019	2.7
119.08575	10.8
121.10141	12.2
123.11713	7.7
125.09628	5.2
127.03928	5.6
131.08572	4.4
133.06464	1.8
133.10150	7.0
135.11696	5.7
137.09613	6.9
139.11162	10.0
140.14328	2.7
141.12726	3.3
147.11713	4.0
149.13257	7.6
151.11194	3.4
155.10652	17.4
157.10229	1.8
159.11778	3.1
161.13261	4.3
163.14861	2.1
165.12782	3.4
171.11673	2.2
173.11752	60.3
174.99252	4.3
175.14815	2.5
175.99553	3.2
176.98926	6.7
177.12721	2.4
179.60352	1.7
185.13272	2.3
193.12276	3.2
195.13818	9.0
211.13310	3.9
231.21021	1.5
241.19614	2.0
245.04391	6.0
259.20590	1.9
270.27902	2.8
273.03943	9.4
277.21585	19.5
284.03189	2.0
287.05289	2.0
295.22644	11.4
298.04935	1.8
301.03448	8.4
316.05817	24.3
330.29962	8.2
330.33618	4.5
331.08139	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01885	3.3
55.05513	45.9
57.07065	1.7
67.05511	20.6
69.03425	8.0
69.07072	10.0
70.76537	3.5
71.08636	19.2
79.05499	13.8
81.03399	2.1
81.07059	19.5
83.04971	3.7
83.08154	2.6
83.08624	36.7
85.06541	2.2
87.04449	2.3
91.05485	7.6
93.07021	11.5
95.04974	1.9
95.08614	10.0
97.10178	69.8
98.98473	77.0
99.08103	23.0
100.98882	2.4
101.26772	1.5
105.07030	6.0
107.08588	18.5
107.64811	1.5
109.06540	2.5
109.10155	5.3
111.08066	2.3
115.33569	1.7
119.08558	5.3
121.10172	3.5
125.09644	55.2
133.10092	4.3
135.08063	5.3
135.11697	4.1
143.10670	2.9
151.11169	9.8
153.09123	4.5
159.29605	1.8
161.13249	6.3
163.11191	5.4
163.14838	1.8
171.10158	13.6
171.11526	2.2
173.13368	2.1
174.99245	4.6
176.98917	4.3
179.12949	1.5
179.14270	9.6
187.59276	1.6
189.11226	100.0
209.11740	1.5
211.16861	1.8
221.15569	1.5
241.19493	3.8
245.04454	2.5
259.20551	3.5
273.03983	2.6
277.21643	63.1
286.05060	1.6
295.22702	19.4
301.03503	1.7
316.05835	9.7
324.28604	1.5
325.98489	1.7
330.29990	2.1
331.08093	17.2
352.54974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01873	3.4
55.05517	37.4
57.03439	13.8
57.07072	11.0
58.06605	3.2
58.37976	2.3
59.05013	4.8
67.05514	89.1
69.03433	5.1
69.07083	33.0
69.90258	5.6
69.90652	6.5
70.06573	2.6
71.05002	6.9
71.08635	10.7
72.08162	7.9
79.05081	2.8
79.05505	32.5
81.03431	6.9
81.07063	98.0
83.04995	11.2
83.08628	23.6
85.06567	4.0
87.04472	11.9
88.07648	7.1
91.05499	25.6
93.07056	38.8
94.90320	2.3
95.04977	9.6
95.08618	43.0
97.06516	7.0
97.10191	15.6
98.98481	100.0
99.08128	8.4
100.98871	3.8
101.06023	12.6
105.07030	21.4
107.08601	26.2
109.06536	3.6
109.10172	40.6
110.04311	2.8
111.08088	9.2
117.07052	4.6
119.08592	24.6
121.10176	8.4
123.08129	4.4
123.11717	15.6
125.09647	17.2
127.03927	2.6
129.07016	4.3
131.08557	6.1
133.10130	12.6
135.08089	4.8
135.11711	5.7
137.09625	6.7
139.11197	9.2
147.11761	7.9
149.13272	9.4
151.11200	6.9
153.09134	8.5
155.10693	24.4
156.17513	8.3
161.13290	8.5
165.12802	6.0
170.19086	3.4
171.11670	3.4
173.11771	42.4
174.99301	5.8
175.14885	5.2
176.98981	7.7
179.14337	4.2
189.11250	10.6
193.12244	3.7
211.13312	9.1
231.21098	5.1
241.19518	3.9
245.04538	5.9
249.22371	3.5
256.03821	2.6
256.26419	7.8
259.20709	6.0
268.30023	19.8
273.04037	6.4
277.21658	41.4
294.24203	3.0
295.22733	34.3
301.03604	8.4
316.05856	26.9
330.30029	28.7
330.33719	70.7
331.04541	4.8
331.08133	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	44.4
57.03436	8.5
61.90248	4.1
67.05507	91.6
69.03434	9.3
69.07071	39.4
70.63536	10.8
70.63886	4.0
71.04998	8.9
78.57182	4.6
79.05502	100.0
81.03410	7.6
81.07062	58.9
83.04977	8.9
83.08632	34.5
85.06535	6.6
88.99679	4.4
91.05483	58.0
93.07051	85.6
95.04988	25.4
95.08611	52.9
97.06515	5.9
97.10204	27.6
98.98476	96.1
105.07047	42.4
107.08608	50.8
109.06521	5.7
109.10157	51.7
111.08083	7.2
113.94463	4.7
117.07046	10.2
119.08593	39.5
120.17670	5.0
121.10159	48.4
123.08110	5.7
123.11705	8.7
125.09628	27.7
129.07034	9.3
131.08585	16.1
133.10155	29.8
135.08076	8.8
137.09627	16.6
139.11218	4.8
145.10132	16.9
147.11725	14.9
155.10657	27.9
157.10202	5.2
159.11719	10.6
161.13332	5.3
171.10155	5.5
173.11790	29.3
173.13144	7.1
174.99237	9.4
186.65923	4.9
187.11336	5.5
189.11258	20.4
193.12314	6.8
209.15211	6.1
275.20056	42.2
293.21219	10.1
309.97495	4.4
328.05487	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	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35448	1.9
53.03938	3.5
55.01874	13.1
55.05511	15.3
57.03436	3.1
57.07085	4.3
67.05507	44.6
69.03441	2.8
69.07076	19.4
71.04993	6.7
71.47879	1.9
78.63477	2.4
79.05493	18.4
81.03419	4.4
81.07061	45.0
83.04980	8.6
83.08624	8.8
85.06539	3.7
87.15055	2.3
89.85207	2.4
91.05479	27.5
93.07043	25.4
95.04971	11.7
95.08614	23.9
97.06538	4.6
97.10152	3.1
98.98477	100.0
99.04459	4.2
99.08118	2.7
105.07031	35.1
107.04957	3.3
107.08588	28.4
108.08944	2.1
109.06518	9.5
109.10166	60.2
111.04460	2.3
111.08095	4.7
113.05968	3.1
116.99608	1.9
117.07024	5.3
119.08590	13.3
121.06523	2.2
121.10182	11.1
123.08035	10.1
123.11706	9.5
125.09634	5.5
127.07539	2.9
131.08566	7.6
133.10138	64.0
135.11658	5.7
137.09607	11.3
145.10170	6.6
147.11671	4.3
149.09631	7.4
151.11203	50.2
159.11740	6.6
161.09612	2.5
163.11163	10.3
163.14882	4.2
163.16209	2.4
165.09113	4.6
167.10716	3.1
169.12242	14.9
174.99226	10.5
177.12782	2.0
179.10690	5.3
189.12796	3.0
197.11635	3.0
208.72542	2.0
209.11761	3.4
215.12799	6.7
229.00311	2.9
229.19446	3.6
230.51431	2.3
247.20520	4.8
257.19067	7.0
275.20087	41.0
293.21121	33.7
310.31137	4.9
328.35736	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
54.87652	0.5
55.01890	1.1
55.05488	0.5
57.03429	0.9
57.07069	1.9
58.99579	0.5
67.05515	6.2
68.05026	1.3
68.99791	0.7
69.03431	1.2
69.07066	1.9
70.06606	4.6
70.31617	0.9
70.31995	1.1
72.08136	0.5
74.06075	0.7
78.50612	0.5
79.05522	0.6
81.07059	0.8
82.02960	6.7
82.06590	3.6
83.04982	0.8
84.04507	1.8
84.08148	2.4
85.02915	1.5
85.06082	0.8
85.06557	11.0
85.08481	0.7
86.09712	1.8
87.00819	2.4
87.04479	3.3
91.05466	0.6
93.07023	0.8
94.06575	1.3
95.04972	1.2
95.08611	1.4
96.04510	6.5
97.02900	0.8
97.06535	0.5
98.06091	0.6
98.98479	22.8
101.06056	3.0
110.06027	0.5
110.09712	4.7
112.07582	0.6
114.05552	19.2
115.03945	0.7
116.07130	1.1
116.99612	0.5
120.08101	1.2
121.06546	0.5
122.06022	3.5
124.07575	0.6
126.05529	10.5
127.03932	1.4
128.07109	1.3
133.04965	0.8
136.07545	0.5
137.06026	0.6
138.05528	3.9
138.09160	31.4
140.07063	2.0
146.06055	0.7
147.71252	0.5
148.07597	1.2
160.91219	0.5
166.08632	1.5
168.06560	2.4
174.99258	1.9
176.98952	1.0
179.06953	0.9
180.10239	1.9
195.02878	0.6
198.11285	100.0
199.11560	1.3
208.09669	1.4
226.10809	1.4
244.11841	40.8
245.12384	0.6
266.10153	1.7
312.10907	5.1
330.11856	9.6
330.15530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01880	2.2
55.05510	4.8
57.07084	2.3
65.03950	1.5
67.05506	10.5
69.07080	7.4
71.05006	1.9
73.08887	0.9
79.05497	8.2
81.03418	1.9
81.07070	13.2
83.04993	1.7
83.08627	1.7
85.06551	1.5
91.05489	15.8
93.07051	31.1
95.04977	27.5
95.07989	1.3
95.08607	21.0
97.06022	1.0
97.06521	6.1
98.98475	100.0
100.06225	0.8
103.05490	1.6
105.04550	1.6
105.07041	24.2
107.08605	15.8
109.06521	6.1
109.10153	8.8
115.05434	1.7
116.99492	1.8
117.07028	6.2
119.08587	23.8
121.06506	6.6
121.10153	11.5
123.08076	4.3
123.11707	3.4
125.09624	1.2
128.06226	1.9
129.07019	2.8
130.07845	1.4
131.08583	10.4
133.06540	1.2
133.10133	17.8
135.08076	4.8
135.11691	5.1
137.09662	2.4
141.06935	2.2
142.07791	4.3
143.08569	7.3
144.09393	2.1
145.10146	14.7
147.08107	1.6
147.11739	6.3
149.09610	1.5
151.11269	1.1
155.08583	3.5
156.09349	2.4
157.10146	14.0
158.10916	1.4
159.11691	14.8
160.12477	1.1
161.09621	6.4
161.13254	1.8
163.11229	0.9
167.08627	1.5
168.09454	1.5
169.10158	5.7
170.10896	1.3
171.11658	6.1
173.09554	1.4
173.13281	7.9
174.13985	1.1
174.99240	17.5
175.14850	8.6
179.08533	1.4
181.10139	1.2
183.11716	4.1
185.13277	2.7
187.11238	3.5
187.14806	7.8
189.12810	1.1
191.14442	1.3
193.10094	1.7
194.10773	1.1
195.11794	1.5
196.12450	1.1
197.13225	4.6
199.14868	4.3
201.16377	2.1
209.13271	3.4
211.14853	2.9
213.16388	1.3
215.14499	1.4
217.15955	2.8
221.13216	1.3
223.14977	1.1
225.16432	1.9
235.14771	2.2
239.18005	1.8
251.00061	3.7
271.20679	1.3
281.22830	1.3
309.22198	3.2
327.07822	2.2
327.23300	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	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05497	1.0
57.03432	2.4
59.05004	49.9
61.02928	1.2
67.05506	1.9
69.03440	4.4
69.07061	1.4
70.06599	10.6
72.08157	9.9
73.06559	100.0
81.03423	1.6
81.07082	1.0
82.06583	2.0
83.05005	0.9
84.04505	1.1
84.08131	1.8
85.02911	12.3
86.09710	20.9
87.24011	0.9
87.58548	0.8
88.03983	1.1
89.06014	1.6
93.02815	0.7
93.07026	1.3
95.04961	2.1
96.83446	0.8
97.02891	3.1
98.21528	2.3
98.98470	85.7
99.04417	1.1
99.27150	0.7
105.07053	1.3
106.47312	0.8
109.02882	2.0
110.06074	1.4
116.07096	21.0
116.99493	1.2
117.09142	12.7
120.08118	3.0
121.06513	0.9
127.03906	1.8
131.10687	9.9
133.08609	2.0
136.07562	1.0
137.05943	0.8
138.05513	3.4
138.09114	2.6
139.16432	0.8
145.04880	2.1
148.07579	1.6
149.11736	70.2
152.04243	1.1
152.07059	1.0
154.08658	1.5
156.10143	1.0
166.04924	2.9
166.08630	4.0
174.99226	8.7
175.99478	1.1
176.98959	2.6
177.11232	1.1
178.03186	0.9
182.04553	1.1
184.09647	1.0
185.16515	8.7
213.15967	7.4
267.05829	1.2
283.17572	3.6
328.08853	1.7
328.14764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01870	6.4
55.05513	29.1
58.92038	1.3
58.94791	1.5
59.04999	1.8
65.03918	1.5
67.05176	2.4
67.05508	28.2
69.03436	4.4
69.07072	94.4
70.05375	2.9
70.05759	3.1
79.05496	26.7
81.03433	4.0
81.07057	32.2
83.04977	5.9
83.08621	23.5
91.05490	20.0
93.07040	20.6
95.04976	4.9
95.08612	21.7
95.09191	2.2
97.06531	9.7
97.10171	34.5
98.20836	2.2
98.98468	82.7
105.07030	18.9
106.62026	1.8
106.62700	1.4
107.04971	5.3
107.07886	2.3
107.08603	43.4
109.06533	3.1
109.10171	6.9
111.08059	2.3
113.09625	2.6
116.99473	1.7
117.07041	4.6
119.08575	17.2
121.06539	3.6
121.10157	7.4
123.08089	3.8
125.09635	30.0
131.08598	6.3
133.10130	10.3
133.22871	1.7
135.08046	4.3
135.11711	6.2
137.09628	2.9
143.10768	2.4
145.06511	2.6
145.10103	9.8
147.11684	8.5
149.09628	30.8
151.11195	3.4
153.09088	2.1
159.11691	9.0
161.09705	2.3
161.13287	12.2
163.11191	8.5
165.09178	4.1
171.10188	6.9
171.11598	2.3
173.13266	5.4
174.99271	8.6
175.99597	2.0
176.98840	1.9
177.12825	4.3
179.14288	12.0
183.11707	2.4
187.11201	3.7
189.11230	45.0
189.12918	2.4
198.14893	2.9
199.14787	1.4
216.89056	1.6
229.19675	2.2
239.17981	5.2
247.20511	3.3
257.03946	1.8
257.19016	12.2
275.20074	100.0
293.21042	20.9
328.05429	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.3
55.01880	2.7
55.05517	12.5
57.03454	3.7
57.07072	4.8
59.05013	2.1
65.03950	2.8
67.05516	23.7
68.85107	1.8
69.03420	2.7
69.07083	13.5
70.56966	4.6
71.05000	2.1
79.05501	19.2
81.07066	27.7
83.08614	4.0
91.05494	29.8
93.07056	67.1
95.04980	57.9
95.05577	3.5
95.08617	43.0
97.06541	20.6
98.98477	100.0
103.05521	4.8
105.04574	2.9
105.06404	1.6
105.07041	46.0
107.04967	2.4
107.08613	28.7
109.06523	8.9
109.10174	20.0
115.05448	3.2
117.07036	14.4
119.08590	45.6
121.06506	14.6
121.09335	2.8
121.10153	29.8
121.86742	1.9
123.08080	8.6
123.11692	6.2
128.06236	2.8
129.07001	6.9
130.07832	3.5
131.08591	24.6
133.06512	3.8
133.10147	37.3
135.08076	6.1
135.11726	9.6
137.09639	4.3
141.07024	3.8
142.07806	9.2
143.08557	16.0
144.09358	7.0
145.10146	34.9
147.08142	3.8
147.11693	10.9
149.13290	3.4
152.06245	2.8
155.08635	3.7
156.09355	5.2
157.10149	24.0
158.10944	3.8
159.08080	4.5
159.11708	31.7
161.09628	14.2
161.13298	6.1
165.07109	2.0
167.08588	3.6
169.10172	13.0
170.10944	4.0
171.11717	15.4
172.12553	2.4
173.09639	3.8
173.13295	10.5
174.99248	17.0
175.14877	15.4
179.08441	2.7
181.10179	2.2
182.10976	3.6
183.11728	8.4
184.12679	2.2
185.13293	8.5
187.11263	7.0
187.14876	13.2
189.12747	4.0
189.16391	5.6
194.10934	2.4
195.11693	4.2
196.12636	2.0
197.13313	9.3
199.14827	9.3
201.12764	2.9
201.16432	4.3
209.13197	3.3
211.14891	5.2
215.14326	2.5
217.15854	4.6
221.13365	3.3
222.43663	1.8
223.14838	3.7
225.16457	3.4
227.14307	2.4
233.03694	2.5
235.14894	2.3
239.14296	2.7
239.18069	3.3
251.17946	1.8
253.15886	4.0
267.90176	2.2
291.20874	2.4
309.22110	7.6
327.08078	11.6
327.23105	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	327.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
59.05006	0.5
65.52758	0.3
69.03442	0.7
69.07077	0.9
70.06600	0.6
72.08172	0.5
73.02935	0.3
73.06557	0.6
77.01602	0.7
79.05505	1.1
81.03439	0.9
81.07077	1.7
83.06093	0.3
84.04524	0.3
84.08176	0.6
85.02904	0.9
86.09736	0.5
87.04478	2.5
89.06049	85.1
91.05490	1.3
93.07070	0.7
97.02899	0.8
98.98485	100.0
99.04496	0.5
105.07056	0.5
107.04968	0.5
107.07102	1.5
107.08579	0.5
109.02868	0.7
109.06546	0.4
109.10233	0.5
110.06055	0.3
111.08119	0.3
116.07050	0.4
116.99528	1.6
119.07468	0.3
119.08634	0.4
121.02887	0.7
123.08099	0.3
124.07631	0.5
125.06029	0.4
127.03947	0.4
130.08665	0.4
131.07066	0.7
133.08627	42.8
134.04619	0.6
135.03418	0.6
135.04443	9.1
135.08003	0.3
137.06001	3.1
138.07375	0.3
139.03918	0.4
140.01079	0.5
147.04419	1.7
149.06023	0.5
151.03891	0.5
151.09668	0.5
153.05592	0.3
163.07498	0.4
165.02373	0.3
165.05547	0.7
174.99260	16.0
177.11255	9.3
178.03270	0.6
182.05014	2.8
183.06479	0.3
195.12334	0.7
202.03265	0.5
207.02859	0.5
208.02943	3.0
220.05206	0.5
220.76555	0.3
221.05972	0.8
221.13863	0.8
229.19363	0.3
239.14914	1.7
248.04649	0.4
251.00085	2.9
266.05670	0.8
277.04944	0.5
281.08188	0.5
283.17496	1.3
294.05118	0.9
295.06146	0.6
299.09070	0.6
309.07541	0.7
321.79404	0.4
327.04922	0.7
327.08575	5.0
327.12631	1.1
327.13977	0.9
327.20303	5.9
328.04816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
62.15369	0.3
67.05481	0.5
69.03423	0.9
70.06602	0.5
71.50897	0.4
72.08171	0.5
73.06562	0.7
77.01592	0.5
79.05511	0.4
81.03436	0.7
81.07057	1.0
83.05013	0.4
84.08162	0.3
85.02918	0.8
87.04467	2.4
89.06037	76.3
91.05489	1.1
91.07593	0.3
93.07076	0.8
95.04961	0.7
95.08613	0.5
97.02898	0.7
98.98473	100.0
103.03962	0.4
107.04930	0.4
107.07070	1.2
107.08616	0.5
109.02892	0.6
109.06528	0.8
110.79317	0.3
111.04449	0.5
116.99499	1.2
119.04997	0.4
119.08569	0.4
120.08122	0.3
121.02879	0.5
123.04401	0.5
124.07618	0.7
127.03941	0.5
128.57030	0.3
129.07002	0.3
130.08614	0.4
131.07072	0.9
133.08614	39.6
134.04590	0.6
134.08975	0.3
135.04434	7.2
135.05453	0.4
135.08073	0.4
135.11626	0.4
137.05971	3.2
147.04410	1.4
151.03998	0.4
152.05614	0.3
165.02225	0.4
165.05495	0.9
174.99243	15.8
177.11237	9.9
178.03354	0.5
182.04947	2.7
195.12262	0.9
208.02934	2.5
210.06688	0.3
213.05118	0.3
220.05315	0.4
221.05956	0.6
221.13873	1.0
238.06160	0.6
239.14877	1.3
250.99969	2.8
263.07446	0.3
266.05704	0.9
269.04330	0.3
277.08658	0.4
281.08228	0.6
283.17538	1.1
294.04721	0.4
312.05972	0.8
315.02411	0.3
327.04822	0.3
327.08533	4.8
327.12302	0.5
327.14499	0.4
327.15961	0.4
327.20120	5.1
328.04916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.66650	3.2
53.03957	3.4
55.05515	18.7
57.07077	9.2
59.04972	3.4
60.60860	2.8
67.05508	37.5
69.03469	2.9
69.07074	45.1
69.31200	27.5
71.04993	5.4
75.56718	3.1
79.05493	32.1
81.07061	100.0
83.08623	19.7
85.06542	16.5
91.05482	15.0
92.75583	3.4
93.07043	51.0
95.04977	4.7
95.08614	94.2
97.06509	4.1
97.10175	12.9
99.08098	8.8
105.07043	25.3
107.08600	39.8
109.10166	60.8
111.08089	7.2
111.11733	8.4
113.09641	7.8
117.07034	8.2
119.08587	24.6
121.10152	41.3
123.11702	29.3
125.09673	6.7
129.09067	3.2
131.08597	9.8
133.10129	21.4
135.11711	29.4
137.05988	14.8
137.09631	13.8
137.13318	9.1
139.11180	4.2
145.10103	11.6
147.08043	7.7
147.11668	22.1
149.13274	21.3
151.11177	5.7
151.14835	7.2
155.10672	7.6
157.09853	2.9
159.11664	10.7
161.06049	4.1
161.13214	18.4
163.03902	6.2
163.14828	13.5
165.12810	3.3
169.06471	7.7
173.13254	5.3
175.07574	19.4
175.14839	12.6
177.16417	4.7
179.14285	6.7
181.16075	3.3
187.14804	5.7
189.16414	7.7
201.05411	3.2
201.16348	6.4
215.18112	5.7
247.24826	3.2
263.23776	5.0
271.24234	21.9
277.25381	10.9
277.71265	3.4
289.25290	47.6
293.07944	4.1
300.63934	3.6
307.09714	3.7
307.26331	26.5
316.01364	3.7
325.10721	6.9
325.14029	18.1
325.27411	17.4
335.51813	3.3
338.23242	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03934	3.2
55.01882	1.1
55.05513	17.1
55.83915	0.9
55.89685	1.1
57.03438	2.4
57.07095	5.5
57.07307	1.0
59.04994	2.6
67.05510	19.7
69.03403	1.4
69.07072	100.0
69.78455	2.3
69.78860	3.8
71.04984	2.9
79.05499	24.5
81.03421	1.6
81.07061	93.3
83.04992	8.4
83.08621	9.1
84.89658	0.9
85.06551	12.1
85.10187	1.3
89.42658	1.0
91.05499	8.9
93.07050	33.1
95.04972	16.5
95.08613	52.7
97.06528	7.8
97.10162	6.0
98.20770	1.1
99.08099	12.9
104.34059	1.0
105.07033	17.6
107.04970	1.4
107.08598	32.6
109.06520	2.4
109.10157	31.3
111.08082	3.6
111.11725	25.9
113.09616	2.8
117.06998	2.6
119.08573	12.3
121.10149	23.4
123.08043	1.4
123.11703	18.7
125.09637	2.5
129.12735	2.3
131.08540	2.7
133.02858	3.6
133.10143	10.1
135.04358	1.5
135.11700	37.8
137.05952	1.8
137.09570	2.9
137.13284	5.2
137.63490	1.0
139.11191	18.9
145.10150	5.5
147.11694	11.2
149.13272	11.5
151.11198	1.7
151.14813	3.3
153.12755	19.4
155.10634	1.9
157.12230	2.9
159.11710	8.1
161.13281	7.0
163.03899	4.7
163.14822	4.7
165.12764	3.9
167.14326	1.5
173.13202	3.0
175.14810	3.4
177.16385	8.6
179.14284	1.5
187.14806	4.1
189.16376	2.9
195.17461	3.8
201.16383	2.1
203.17967	1.2
207.54260	1.2
213.18475	4.1
215.17957	2.8
217.19609	1.1
227.20020	3.6
239.20036	3.3
271.24277	5.5
277.25366	3.0
289.25247	12.4
290.11063	1.3
293.08041	1.4
295.26199	5.1
307.09723	1.7
307.26370	15.3
325.06995	2.3
325.10541	2.1
325.16385	3.4
325.27386	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	326.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.2
55.01881	5.1
56.96580	4.4
57.03447	15.9
58.74610	2.3
61.02933	100.0
62.06084	4.2
68.02617	2.6
69.03452	15.6
70.99872	2.4
71.04962	3.0
71.50545	3.0
73.02914	9.2
81.03413	11.7
82.06590	3.9
84.08147	5.0
85.02919	42.8
86.03252	5.3
87.04460	3.8
97.02886	17.3
98.97718	4.1
98.98472	44.6
99.04462	3.3
100.07636	13.1
101.00906	11.7
101.02404	4.2
102.01002	3.6
103.03224	2.6
109.02891	9.5
113.02375	4.0
115.02411	4.8
115.03904	3.3
117.02934	3.9
118.01881	2.6
119.01924	15.6
119.02686	4.3
120.03481	2.9
121.01627	3.5
126.03461	4.6
126.98786	6.1
127.03934	18.6
128.04243	3.0
129.01921	2.8
129.03944	3.0
131.01909	8.6
132.00781	3.5
133.02448	3.1
133.03456	6.6
135.03065	9.1
139.02448	3.2
141.03918	3.8
142.02928	5.6
143.01910	6.1
144.99818	8.6
145.02448	5.8
145.03485	5.4
145.04984	8.8
147.02997	3.4
154.04735	5.1
154.54889	3.8
156.97516	13.1
157.03476	10.5
158.01421	3.1
159.01373	4.0
159.02971	2.9
159.04321	4.1
161.02943	5.4
164.05309	3.9
165.04065	2.8
167.01891	11.9
168.99863	7.6
169.03487	4.1
171.01399	4.5
172.99376	6.1
173.03015	6.5
174.02759	5.5
174.98676	8.9
175.03415	8.9
175.04713	3.8
177.02455	6.6
183.66286	2.5
185.03094	8.2
186.03214	2.6
187.00961	12.3
188.02441	10.4
189.02423	5.5
190.03996	6.9
192.04132	2.9
196.03943	5.7
197.02977	25.6
198.98595	5.6
203.04016	4.8
205.02019	5.6
205.04576	12.1
211.04544	3.5
213.55696	2.5
214.05064	10.1
214.06888	3.1
215.00421	8.5
217.01935	5.9
217.05634	3.1
218.03485	23.6
218.53484	2.8
219.03459	5.0
220.05147	17.9
220.55009	6.7
221.05261	3.6
224.96503	7.6
227.00526	4.4
227.04013	30.0
227.54092	4.9
229.02098	3.1
229.04814	8.4
229.54919	2.9
233.32150	2.6
236.04510	5.9
236.07222	5.9
237.06252	3.5
238.05304	3.2
242.97440	5.3
245.01532	3.8
247.03036	6.8
251.04301	3.7
253.07883	2.8
254.99892	4.5
269.05283	5.1
273.00943	6.1
284.03729	5.9
284.98712	5.5
287.02512	2.7
289.04105	3.6
305.03531	3.5
307.08789	3.5
308.08932	7.5
309.08829	5.9
315.02029	5.5
326.11829	5.0
333.03134	6.7
337.09579	2.9
339.10315	2.9
349.06262	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	325.2011
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
50.59845	2.2
51.46076	2.0
53.03943	6.5
55.01870	15.6
55.05516	32.2
57.03445	13.4
57.07063	2.6
57.64486	1.8
59.04998	6.6
65.03944	4.8
65.04291	2.0
67.05506	61.7
69.03434	22.0
69.07073	32.7
70.77626	5.2
71.04994	23.4
77.53455	2.0
79.05496	58.0
80.06283	2.6
81.03419	15.3
81.06586	4.9
81.07057	76.9
82.04189	5.0
83.04967	12.8
83.08628	15.9
85.02927	2.9
85.06555	6.3
91.05481	56.1
91.06023	3.8
93.07050	53.6
94.04173	5.1
95.04971	35.1
95.08611	42.7
96.05753	2.8
97.02894	2.3
97.06535	100.0
97.10181	15.2
99.04447	3.2
99.08114	4.8
99.14711	2.3
103.05419	2.5
105.07039	42.1
107.04959	44.6
107.08603	31.9
108.05749	5.9
109.02796	2.5
109.06513	47.6
109.10153	20.0
110.07304	2.7
111.04465	4.1
111.08102	7.3
113.06025	6.2
115.05443	3.7
115.07573	6.3
117.07018	21.6
119.04967	3.9
119.08582	29.2
121.06511	32.3
121.10149	24.5
123.04475	3.7
123.08072	9.4
123.11703	10.1
125.09624	9.1
127.07520	3.5
128.06218	4.0
129.06996	11.8
131.08563	39.4
133.06479	11.6
133.10141	20.9
135.04430	4.2
135.08037	17.4
135.11702	8.6
137.09610	19.2
139.07550	14.7
139.11218	2.9
141.07053	2.0
143.08582	10.9
144.09291	2.8
145.06520	6.6
145.10123	19.2
145.54514	2.3
147.08073	13.1
147.11716	13.8
149.09621	13.5
149.13274	3.8
151.07549	4.1
155.08623	5.7
157.06461	3.7
157.10100	10.4
159.08086	8.9
159.11719	12.1
161.09666	9.0
161.13390	2.9
163.03979	3.2
163.07510	3.4
163.11208	7.5
165.09143	2.2
165.12759	5.7
167.10600	2.9
169.08672	3.3
169.10135	5.7
171.11682	4.7
173.09647	5.0
173.13260	10.7
175.11192	4.9
177.12810	2.7
179.10667	3.6
180.11546	4.3
183.11652	4.5
185.13249	5.8
187.11249	5.2
187.14900	2.6
189.11188	5.1
191.14337	4.5
193.12221	4.6
195.11781	2.6
201.05620	2.3
201.12689	6.0
203.14354	3.9
206.13068	3.1
219.13855	14.7
223.13242	2.9
228.07643	2.9
229.08627	3.0
231.13954	2.7
233.15428	4.4
235.13376	3.1
237.14780	11.1
243.17461	3.1
245.18930	2.6
249.14905	3.3
255.17607	2.8
261.18521	4.5
264.56104	2.2
271.17001	7.2
273.18503	66.5
275.19980	6.2
279.19531	3.6
289.18054	16.9
291.19534	15.7
307.19073	21.8
307.22549	4.0
310.04800	9.0
325.07263	17.9
325.10867	3.4
325.14325	11.0
325.20081	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23677	1.3
53.03946	2.3
55.01870	6.4
55.05521	7.8
57.03437	4.2
57.07064	3.4
65.03947	1.8
67.05516	20.2
68.98036	1.6
69.03426	5.1
69.07074	100.0
70.10172	5.9
71.04998	46.4
71.77029	1.5
73.02917	12.1
78.73705	1.6
79.05501	27.7
81.03408	6.2
81.07066	21.7
83.04985	5.5
83.08607	4.8
84.08125	1.8
85.02879	2.8
85.06542	5.3
87.54794	1.5
89.03936	1.5
91.05502	9.7
93.07057	15.5
94.07378	1.9
95.04996	9.1
95.08611	21.3
97.02929	2.3
97.06541	35.8
97.10168	4.8
98.97556	2.0
99.08058	2.2
105.07056	9.7
107.04959	5.8
107.08613	11.3
109.02888	1.7
109.06522	25.8
109.10184	11.1
110.21590	1.6
111.08101	3.9
111.11730	2.0
113.06016	3.1
113.70493	1.7
115.07580	65.9
115.08396	3.7
117.07034	3.7
119.04961	1.7
119.08580	8.7
121.06509	5.8
121.10165	7.9
123.08078	2.5
123.11723	5.3
125.09600	2.5
129.06989	4.2
131.08559	6.5
133.02873	2.5
133.10095	6.3
135.08080	3.9
135.11726	2.0
137.05980	5.5
137.09645	4.1
139.11153	2.3
141.09085	3.0
145.10138	5.3
147.08044	3.6
147.11679	4.0
149.13303	4.4
151.07521	3.4
155.08621	2.2
156.26010	1.8
157.10182	4.8
158.03648	1.6
159.08029	4.9
159.11646	3.8
161.09612	3.2
163.03912	7.1
163.07536	2.0
163.11224	2.1
164.00223	1.8
165.12843	2.1
169.10216	1.9
171.11656	2.8
173.13116	2.2
175.11185	2.9
183.11676	1.8
185.13345	2.1
191.14374	1.9
192.13921	1.8
193.12296	3.4
194.07332	3.0
199.11154	2.0
201.05505	3.5
201.09125	1.9
205.06487	5.7
215.14357	2.2
221.05994	2.4
222.06679	2.9
225.09192	2.5
229.08383	2.0
233.05998	5.0
237.09157	2.5
239.07085	2.3
249.05530	3.0
250.06281	4.6
263.16458	2.1
264.07693	2.0
265.08633	5.2
271.16888	3.2
278.05746	3.3
289.17926	14.3
292.07266	4.6
293.08139	9.3
295.06238	1.8
297.11194	1.9
307.09610	6.8
307.19122	5.2
307.26196	2.9
310.04675	4.9
325.07037	11.1
325.10699	18.3
325.14450	8.4
325.16238	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	324.2173
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01882	0.8
55.05515	1.6
57.03428	0.4
57.18229	0.4
58.06594	0.5
64.22417	0.3
65.03951	0.4
67.05515	3.3
69.03422	0.6
69.07076	10.3
69.83775	1.6
70.04073	1.1
70.04438	0.4
76.86378	0.3
79.05490	3.0
81.07063	7.5
83.04991	3.3
83.08641	0.7
85.52451	0.3
86.09716	100.0
91.05492	8.7
91.06030	0.7
93.07056	12.9
95.04983	2.3
95.08639	2.1
97.06554	0.7
98.21529	0.6
105.07047	14.2
107.04956	0.7
107.08597	3.1
109.06532	9.1
109.10184	1.3
111.08086	3.0
117.06989	0.5
119.08599	5.5
121.06535	0.8
121.10152	1.2
123.08078	1.0
123.11733	1.0
125.13176	0.4
127.57838	0.3
128.10718	4.5
129.06960	1.0
131.08600	4.3
132.10219	31.7
133.06506	1.5
133.09134	0.9
133.10141	18.1
135.07991	0.4
137.05994	0.5
147.08032	0.7
147.11705	13.0
149.09633	1.3
149.13274	0.8
150.96739	0.4
151.07614	2.8
151.11200	43.2
156.10216	1.4
157.10139	1.3
165.12769	1.6
167.14360	0.4
175.11229	4.9
192.13892	0.6
193.12280	4.7
210.14957	0.9
222.14937	1.2
241.38138	0.4
260.20129	8.0
278.21176	30.6
288.19507	0.4
306.20660	6.8
324.21735	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	325.0711
Annotation	Neobanol
Peak:m/z	Relative Intensity
55.01826	0.3
55.05463	0.5
57.03376	0.3
67.05439	0.8
68.99797	1.8
69.03373	0.4
69.07001	1.0
69.88437	0.4
69.88839	0.7
71.04966	0.3
79.05426	0.9
81.07060	1.9
81.77639	0.2
83.04894	0.3
83.08575	0.3
84.02068	0.3
84.95979	0.2
85.06494	0.3
91.05422	0.7
93.07048	1.0
95.04907	0.5
95.08608	1.8
97.02840	0.5
97.06462	0.7
105.06969	0.7
107.04929	0.2
107.08523	0.9
109.06542	1.5
109.10081	0.9
111.08054	0.3
112.01574	0.3
115.05406	0.5
117.06953	0.3
119.08520	0.7
121.02784	0.4
121.10094	0.5
123.07996	0.8
123.11630	0.5
129.07014	0.3
130.17972	0.2
131.08455	0.6
132.04692	0.6
133.02809	0.3
133.10078	0.7
135.04382	0.3
135.11684	0.3
137.05876	0.6
140.01076	1.9
141.09032	0.3
142.04164	2.3
143.04861	0.6
145.02797	0.3
145.10071	0.4
147.04347	0.3
147.11679	0.4
149.13266	0.4
152.06163	0.4
157.10118	0.3
163.03830	0.9
168.00562	10.6
169.06541	0.2
176.00970	0.7
176.07100	0.3
180.05713	0.4
181.06569	0.2
184.05203	0.2
186.01646	3.9
186.03203	0.3
194.02019	0.2
194.07300	0.3
197.05994	0.5
201.05508	0.5
203.80946	0.2
208.05136	0.9
209.06036	0.4
221.06012	0.3
222.06795	0.4
226.06259	0.7
228.13565	0.3
233.05943	0.4
236.04628	1.4
237.05486	0.4
239.07146	0.3
250.06303	0.5
251.07034	0.2
253.04994	1.4
254.05760	0.7
263.53470	0.2
264.04263	1.1
265.05109	0.9
265.08594	0.4
269.08234	0.2
269.12253	0.7
279.06546	0.8
281.04434	1.4
281.17221	1.3
282.05237	2.5
289.18005	0.8
289.25381	0.2
292.03668	1.0
292.06601	0.2
292.14673	0.3
293.04459	0.7
293.07779	0.4
297.07745	0.2
297.11191	0.3
307.09622	0.9
307.19073	0.5
307.26407	0.2
309.03958	21.9
310.04742	76.9
311.05084	0.6
316.15451	0.4
325.07108	100.0
325.16220	54.9
326.07556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.071
Annotation	Neobanol
Peak:m/z	Relative Intensity
50.20155	0.3
55.05517	0.5
67.05476	0.5
68.99799	1.9
69.03426	0.3
69.07063	0.8
69.59733	1.3
79.05479	0.6
80.70937	0.3
81.07055	1.0
83.04980	0.7
84.02122	0.4
89.12516	0.3
91.05478	0.4
93.07053	0.7
95.04939	0.3
95.08632	0.6
97.06570	1.8
105.07012	0.4
107.08607	0.5
109.06522	0.3
109.56807	0.2
115.05420	0.3
121.10163	0.6
123.11722	0.3
125.09675	0.3
133.10104	0.4
137.06073	0.2
139.00221	0.3
140.01045	2.3
142.04150	2.1
143.04948	0.5
145.02840	0.4
149.13257	0.4
152.06201	0.5
155.08641	0.3
163.03856	0.3
168.00558	10.5
169.06575	0.3
180.05716	0.4
181.06395	0.4
186.01614	3.5
197.06017	0.4
201.09085	0.4
208.05231	0.8
211.03848	0.4
211.07544	0.4
225.05434	0.4
226.06247	0.5
236.04697	1.0
237.05452	0.4
253.04961	1.6
254.05719	0.6
264.04181	1.4
265.05011	0.8
279.06561	1.2
281.04486	1.1
282.05310	2.5
283.09558	0.3
292.03644	1.0
293.04657	0.4
309.03949	22.4
310.04736	79.5
311.05051	0.8
325.07089	100.0
325.14337	3.0
326.07446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
61.02925	0.2
67.05510	0.4
69.03410	0.5
70.06605	0.5
71.04984	0.6
71.30700	0.4
73.02964	0.2
79.05492	0.3
81.03427	0.5
84.08145	0.2
85.02906	1.6
85.06570	0.2
91.05491	3.9
95.04956	0.3
97.02891	0.8
107.04967	8.4
109.02896	0.6
109.06499	0.3
109.10166	0.3
112.29005	0.2
117.03442	0.5
117.96447	0.2
119.04950	7.6
123.04371	0.3
124.07594	0.5
127.03920	0.6
127.11203	0.4
133.02866	0.8
135.04439	1.2
137.05991	0.5
137.62546	0.2
138.05452	0.3
145.02858	0.5
145.05046	0.2
147.04375	0.6
149.05972	0.4
151.03922	0.3
163.03914	100.0
164.04254	0.8
175.03954	0.6
177.05489	0.4
178.05865	0.3
181.04970	0.4
181.92596	0.2
191.03334	0.5
203.03400	0.2
205.06590	0.2
231.02931	0.2
244.09639	0.3
259.06070	0.5
265.08920	0.3
279.04999	0.9
279.08136	0.2
289.11801	0.3
293.08096	0.4
307.10168	0.3
307.13040	1.9
311.67975	0.2
325.10590	0.3
325.14072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1437
Annotation	Glabridin
Peak:m/z	Relative Intensity
55.01879	1.1
55.05512	1.7
58.04216	1.1
67.05508	2.4
69.03430	1.4
69.07100	1.8
69.31268	5.4
73.02906	1.1
73.06561	23.8
79.05499	3.2
80.67742	0.7
81.03444	1.0
81.07060	3.4
83.04980	1.0
89.06075	3.5
91.05484	8.4
93.07032	1.4
94.04209	0.9
95.04961	0.9
95.08640	3.9
100.89876	0.7
103.05490	6.3
105.07050	3.1
107.04966	2.2
107.08608	1.5
109.06500	1.1
109.10184	1.8
115.05453	6.7
117.07050	6.1
119.08594	7.5
121.10130	1.4
122.03661	4.6
123.08113	1.1
123.11737	1.1
128.06232	3.4
129.07021	7.7
131.04031	1.1
131.04945	12.3
131.08597	0.8
132.05734	5.8
133.08661	1.8
133.10153	0.9
135.04396	0.9
135.11694	1.2
137.05995	71.7
141.07018	11.2
143.04938	1.3
145.06499	3.1
145.10153	0.9
145.49240	0.7
147.08066	23.7
147.09225	1.3
149.13275	1.0
157.06535	2.9
158.07379	0.7
159.08115	1.4
159.45717	0.8
160.05196	4.6
161.06030	6.6
163.03955	7.6
163.07567	16.5
168.00591	1.5
169.06499	21.9
173.05939	1.6
175.07567	100.0
185.05971	1.0
186.06825	2.0
187.07556	3.4
189.05513	1.6
189.09157	8.2
191.03366	2.3
191.07019	2.5
193.05020	2.5
201.09135	7.6
205.06470	1.5
205.08548	1.5
206.14398	0.7
215.08708	0.8
219.08128	0.8
233.06041	1.0
233.09776	4.2
235.05986	10.3
237.09030	0.8
261.09070	3.4
262.47058	0.8
263.07092	0.9
264.04208	0.8
265.08621	1.4
265.12137	2.2
271.24255	1.0
289.25211	1.0
293.08298	1.4
293.11578	3.7
307.12042	7.1
309.03983	2.1
310.04788	8.6
325.07391	10.4
325.11157	3.0
325.14355	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03941	0.2
65.03926	0.2
65.58799	0.2
69.03424	0.4
69.72549	0.3
69.72937	0.4
79.05502	0.3
81.03423	0.2
85.02914	0.7
91.05487	4.7
91.41829	0.1
95.04974	0.2
97.02884	0.3
105.43753	0.2
107.04965	8.1
117.03384	0.2
119.04953	7.1
120.16956	0.1
127.03992	0.2
128.96150	0.1
131.04890	0.1
133.02856	0.3
135.04448	0.9
140.30811	0.2
145.02802	0.2
163.03917	100.0
164.04291	0.7
175.07390	0.2
177.05460	0.2
178.05832	0.2
265.08334	0.1
325.10458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03948	3.3
55.01867	2.9
55.05514	28.6
57.07070	10.9
59.05006	5.2
67.05515	41.1
69.03436	8.0
69.07077	45.9
71.04998	10.6
71.08632	4.8
71.41982	3.0
73.06565	4.8
79.05508	40.1
81.03429	4.4
81.07067	100.0
83.04965	5.6
83.08630	19.2
84.99586	3.0
85.02909	14.6
85.06540	5.7
85.10187	3.6
86.09710	5.1
91.05500	18.0
91.10651	2.8
93.06479	5.0
93.07052	67.3
95.04976	8.4
95.08617	93.3
97.06541	10.5
97.10155	15.9
98.21529	8.8
98.97556	3.4
99.08093	28.8
105.07042	33.4
106.43345	3.0
107.08604	48.9
109.06546	11.5
109.10171	51.2
111.08102	5.8
111.11726	7.0
117.07034	2.9
119.08586	31.7
121.10159	47.8
123.08084	11.6
123.11697	21.6
125.09635	6.0
129.06989	2.7
131.08582	8.0
133.10135	64.4
135.11720	26.4
137.06006	5.1
137.09619	9.9
137.13350	6.5
139.11151	3.2
139.14893	2.8
141.01863	7.5
143.08592	4.4
145.10161	6.8
146.12173	2.7
147.04457	3.4
147.11728	23.9
149.13283	49.7
151.11223	7.2
151.14847	3.6
159.11662	14.4
161.13229	15.0
163.14848	20.6
165.07043	3.8
165.12741	9.4
167.14403	3.9
171.11662	3.4
173.13272	5.2
175.14839	7.0
177.16423	6.6
181.06570	2.7
189.16409	12.8
203.18018	4.7
259.24234	46.7
266.12949	2.8
269.22681	6.0
277.25262	36.1
287.23706	7.4
295.13464	3.0
305.17737	3.5
305.21313	5.9
305.24768	52.3
323.05493	7.0
323.09119	6.2
323.12750	21.9
323.16507	16.9
323.25723	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	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.05519	48.0
57.03428	5.2
57.07084	80.0
67.05498	26.8
69.07075	100.0
69.19862	5.3
71.05016	7.3
71.08640	63.9
74.46812	4.9
74.99062	5.5
79.05495	7.3
81.07064	72.1
83.04980	6.0
83.08636	72.2
85.02871	5.2
85.06538	13.4
85.10217	29.4
89.38063	4.9
91.05485	13.5
93.07038	22.8
93.35910	4.9
95.08614	72.7
97.06517	9.8
97.10172	47.0
105.07021	19.9
107.08605	26.7
109.10167	51.6
111.08040	8.2
111.11748	26.7
115.07565	8.9
118.30431	5.5
119.08573	21.3
121.10190	28.8
123.08077	8.5
123.11713	27.6
123.12485	5.3
125.09642	8.0
125.13248	8.1
127.07616	5.9
129.09113	7.8
133.10175	26.7
135.04372	6.5
135.11685	14.0
137.09596	6.6
137.13266	11.5
141.09135	7.8
145.10085	7.3
147.11679	17.6
149.13213	13.1
151.11188	18.2
153.12653	9.5
155.10657	7.7
161.13268	18.4
163.14786	9.8
165.12769	27.1
175.14886	11.7
177.16508	6.6
179.14264	27.8
183.13823	7.8
193.15855	13.2
197.15343	11.6
207.17448	9.2
217.19485	6.6
229.44365	5.4
235.20576	7.6
263.27344	19.5
287.27332	18.1
305.28326	16.7
323.29645	6.4
337.79767	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07718	0.7
50.48014	0.7
53.03945	1.7
55.01866	2.3
55.05515	9.1
57.03441	7.3
57.07074	1.6
59.04998	2.6
65.03941	2.7
67.05509	27.1
69.03426	1.7
69.07074	22.2
70.64004	2.2
71.01356	0.7
71.04991	8.7
71.08627	1.1
72.39928	0.7
73.06570	4.5
75.04471	0.7
79.05502	16.2
81.03427	1.4
81.07060	24.1
83.04998	3.3
83.08628	5.6
85.02899	7.4
85.06555	6.0
91.05482	13.1
93.07049	18.5
94.28252	0.7
95.01337	0.7
95.04976	13.7
95.08615	17.4
97.02906	1.1
97.05971	0.7
97.06543	3.1
97.10158	5.0
98.74091	0.6
99.08100	100.0
100.66939	0.7
101.06026	0.8
105.04477	0.8
105.07036	14.3
107.04961	3.5
107.08604	13.3
109.06524	18.9
109.10154	7.1
111.04449	0.8
111.08112	2.0
111.11777	0.7
113.06017	4.3
115.05460	1.0
117.07027	5.1
119.08592	10.2
121.06525	3.0
121.10160	9.5
123.08074	4.0
123.11695	3.4
125.09635	1.4
127.07558	5.4
128.06253	1.6
129.05470	1.0
129.07021	3.2
130.07742	0.8
131.08575	9.5
133.06512	2.2
133.10135	10.7
135.04434	0.7
135.08078	9.2
135.11696	6.2
135.17207	0.7
137.05959	2.0
137.09610	1.8
137.13271	3.5
139.11229	1.1
141.01825	3.4
141.07005	1.1
141.09103	2.0
143.08600	4.3
145.02885	0.8
145.06474	1.2
145.10123	6.3
147.08049	4.7
147.11702	4.0
149.09630	4.7
149.13255	3.8
151.11172	1.7
153.06992	0.8
155.08582	1.5
157.10161	5.4
159.08125	1.4
159.10471	0.7
159.11659	4.2
161.09666	4.5
161.13295	3.0
163.11226	2.4
163.14890	1.9
167.08514	1.0
171.11760	2.1
173.13286	1.6
175.11192	2.4
175.14856	1.7
177.12732	1.7
177.16402	0.9
179.10760	1.0
179.14301	1.0
181.10196	0.8
183.11739	1.5
185.09732	1.2
185.13316	1.1
189.12772	1.1
189.16437	1.7
195.08012	0.8
195.11858	1.3
195.13763	1.5
197.13248	0.7
199.14915	2.0
200.72980	1.0
201.12814	1.1
207.13808	1.1
209.09668	0.9
213.16406	0.7
217.15831	5.6
219.13820	1.1
227.17909	1.5
235.16893	0.8
237.16570	0.9
245.19029	2.4
255.17445	3.5
259.24216	2.6
263.20123	0.9
273.18515	16.4
275.20074	1.2
277.18546	0.9
277.25314	2.4
279.67767	0.7
287.20294	0.9
287.23587	1.6
291.19574	19.2
291.22891	0.9
305.17841	1.4
305.21176	6.7
305.24802	5.1
322.27197	0.8
323.09201	1.4
323.12775	3.5
323.16510	3.5
323.22281	1.7
323.25888	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66467	0.4
69.03460	0.5
69.07066	0.6
70.27031	1.1
80.03609	0.4
81.07088	0.5
82.06570	0.8
84.04510	0.7
89.03924	5.8
98.21507	0.6
103.05457	0.4
107.64269	0.4
108.41535	0.4
109.02898	0.5
110.06051	2.0
112.81557	0.4
117.03387	20.6
117.39968	0.4
117.91835	0.5
127.11257	0.5
130.05038	1.0
134.03624	1.4
135.04372	0.6
137.05983	0.5
145.02852	51.4
145.12169	0.4
147.04324	0.7
149.05986	7.9
163.03865	1.3
166.05055	0.6
167.07019	0.6
167.55528	0.4
175.03874	0.7
176.04225	1.1
177.05478	100.0
178.05843	0.9
180.13849	1.2
186.05533	0.7
204.14871	0.4
248.79616	0.4
306.10001	0.5
307.19980	0.8
324.14810	0.5
324.22876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.96588	0.3
57.03429	0.4
60.78341	0.3
61.02908	0.6
62.74763	0.3
67.05509	2.4
69.03423	1.0
69.07078	7.3
70.06602	0.8
71.04988	0.5
71.51213	0.5
72.08152	0.5
73.02921	1.2
81.07079	0.9
84.04505	0.7
84.08163	0.6
85.02916	2.9
85.06561	0.4
86.09726	0.6
89.03919	5.4
91.05508	1.2
97.02905	1.5
105.06989	0.5
106.04222	0.5
107.05027	0.3
109.10171	11.1
111.05582	1.1
111.11764	2.0
115.03933	1.2
115.63996	0.3
117.03388	22.4
120.08148	0.5
121.02863	0.4
125.02375	0.7
127.07616	0.6
127.11216	7.1
130.05025	0.8
133.04971	2.7
134.03685	2.1
135.04440	1.6
136.07538	0.5
137.06050	0.3
138.05498	0.5
139.05049	1.3
145.02858	55.6
146.03214	0.5
147.04396	1.6
148.04958	0.5
149.05994	8.3
150.09102	0.5
151.03918	1.2
152.07095	0.5
161.05940	0.5
162.53636	0.4
163.03928	1.3
167.11842	0.6
177.05484	100.0
178.05823	0.8
179.05495	2.5
180.06560	0.4
186.05516	1.0
191.03540	0.4
195.11310	1.6
272.43887	0.3
292.10422	0.3
324.10513	15.2
324.15433	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74118	3.1
55.01862	5.2
55.05502	11.1
57.03440	29.5
61.68161	2.7
62.58224	2.8
65.03954	3.0
67.05513	32.3
69.03450	2.9
69.07053	6.4
70.91479	6.1
71.04994	3.8
79.05499	15.4
81.03431	3.4
81.07066	26.5
83.04960	5.2
83.08626	6.4
83.63204	2.7
85.06555	25.2
91.05494	13.9
93.07050	14.5
95.04980	41.4
95.08623	14.2
97.06496	4.5
97.10159	4.3
105.07014	7.8
107.08588	9.9
109.06525	27.3
109.10172	9.6
111.04434	3.3
113.05251	5.6
113.06019	100.0
117.06976	4.3
119.08582	8.8
121.06493	4.6
121.10098	4.7
123.08068	4.0
123.11794	4.1
131.08546	5.9
132.89606	3.3
133.10158	6.0
135.04434	2.8
135.08072	26.1
135.11755	5.3
143.08568	5.0
145.10144	5.4
147.08017	4.2
149.09578	4.4
159.11719	6.3
161.09505	5.5
163.11115	4.7
165.12761	6.3
199.14915	3.6
200.36652	3.3
217.15915	8.3
255.17503	2.9
273.18576	18.4
287.20233	3.5
291.19543	40.9
305.21185	9.5
323.05591	5.0
323.12665	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	323.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02956	4.5
71.03309	2.5
83.45328	1.9
94.93281	2.0
112.81800	2.1
143.01907	2.3
323.07413	100.0
323.11282	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28238	2.2
53.03939	3.3
55.05506	8.0
57.03435	8.2
57.60057	2.2
60.04530	2.4
65.07690	2.7
67.05505	6.7
69.03421	7.3
69.07066	4.4
70.63725	7.7
70.64101	2.2
71.01332	3.7
71.05009	18.4
73.02932	5.8
75.04484	8.9
79.05509	5.8
81.03425	6.8
81.07066	9.2
83.05003	12.0
85.02914	100.0
88.95271	2.6
91.05443	5.3
93.07055	4.0
95.01333	15.8
95.04964	4.8
95.08606	7.2
97.02903	4.4
97.06524	3.9
103.03876	2.6
105.07047	6.5
107.04958	3.1
107.08611	6.6
109.02928	3.8
109.10198	4.6
111.04465	9.7
113.02319	4.5
119.08574	6.8
121.06553	3.0
121.10182	4.9
123.11710	3.3
127.03932	3.4
129.05496	17.1
129.07024	2.9
131.08530	3.6
133.10120	2.8
137.06018	4.6
141.01855	35.2
142.14813	2.5
145.02867	3.1
145.10109	2.9
147.04439	3.0
147.06512	12.8
157.10168	3.0
159.02917	10.4
166.81717	2.6
171.06471	3.2
182.32060	2.5
210.30920	3.0
240.22588	2.4
287.07455	4.3
287.16623	3.6
305.08789	5.2
305.17606	3.0
323.05515	2.5
323.12833	4.9
323.16296	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	323.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
57.03443	10.2
61.02929	1.3
67.05508	4.6
69.03445	5.9
69.07076	3.1
71.01359	5.2
71.04996	19.3
71.52117	1.4
73.02919	6.4
75.04491	9.0
79.05486	3.6
81.03425	3.4
81.07069	6.0
81.39661	1.8
81.42682	1.2
83.04982	11.4
85.02911	100.0
86.06084	1.3
87.04472	2.2
87.75340	1.4
91.05461	3.4
93.07047	3.8
95.01324	14.7
95.04955	3.5
95.08637	3.3
97.02901	5.1
97.06541	1.9
99.00828	2.6
99.04475	1.8
101.06013	1.9
103.03963	2.9
105.07043	2.8
107.08593	4.4
109.02876	2.2
109.06510	2.3
109.10168	1.8
111.04460	9.8
111.66000	1.1
113.02385	3.5
113.06032	3.2
119.08591	2.7
121.06518	1.9
121.10174	2.9
127.03902	1.5
129.05493	21.4
133.10164	3.6
139.03850	1.5
141.01834	38.7
143.08553	1.6
147.06529	11.7
147.11717	2.0
157.04947	2.0
159.02853	6.4
171.06531	2.8
177.05508	1.8
195.06541	1.4
201.03996	3.5
204.33208	1.4
213.03867	1.7
241.07040	1.6
259.08179	1.6
269.06747	2.7
287.07428	2.0
291.19824	1.3
305.08658	7.0
305.21118	4.1
305.24567	1.8
323.05447	1.7
323.09146	1.6
323.12830	1.6
323.27438	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16901	0.4
55.01889	0.7
55.05514	1.1
56.05035	2.2
56.96568	3.1
57.03434	1.3
57.07075	0.6
58.06607	11.8
58.26792	0.4
59.04976	0.6
61.02934	1.2
67.05500	1.1
69.03435	4.6
69.47414	1.8
69.47817	1.2
70.06622	2.1
70.98140	0.6
71.05000	0.9
72.08173	1.1
73.02927	1.7
74.02456	0.9
74.06089	0.6
76.69714	0.4
81.03419	1.7
82.06577	0.8
84.04510	18.2
84.08148	100.0
84.96009	0.5
85.02908	8.0
85.06541	0.7
86.06074	11.4
86.09708	4.8
87.04483	1.5
87.09248	1.2
88.03993	1.0
91.03969	0.4
91.05477	1.0
95.04993	0.8
96.04505	0.5
97.02903	4.9
98.03109	0.4
98.06071	0.4
98.97588	6.5
99.04449	0.9
100.07632	1.1
101.00867	1.7
102.05563	2.1
102.09176	1.9
103.00664	0.5
103.03971	0.5
105.03394	0.5
107.04958	0.4
107.31004	0.4
109.02863	0.8
110.97581	0.8
111.05611	0.5
112.07596	0.8
113.00916	0.5
113.07145	2.4
114.09168	1.0
114.97054	0.5
115.03899	1.2
116.98634	2.1
117.02224	0.4
119.01917	3.1
119.04942	0.9
121.01687	1.0
121.02851	0.6
122.07159	0.9
123.05553	2.4
127.03905	2.8
128.98634	0.9
130.08646	9.0
131.00140	0.6
131.01924	0.7
133.01663	0.6
133.04947	0.6
133.06564	0.5
135.03221	0.8
136.06226	0.6
137.05991	0.8
141.06602	4.6
141.13809	0.6
142.05052	0.7
143.00177	0.7
143.01871	2.5
144.98152	0.5
145.01695	0.7
145.03455	0.9
145.05014	0.8
146.06015	1.2
147.04385	2.2
148.07582	0.6
149.01225	1.4
153.05847	0.9
155.01880	1.1
157.03453	0.8
158.99593	2.3
159.07671	1.3
160.09703	0.9
161.02931	1.3
161.04639	1.0
161.06992	0.9
166.08629	0.9
168.10204	0.7
170.05121	0.7
170.95953	0.6
170.99672	0.5
173.01328	0.6
173.03006	0.9
177.00754	0.6
180.07668	1.0
182.03772	0.5
185.03027	1.2
185.12848	0.6
189.00705	1.0
190.04947	0.5
191.02121	0.8
193.03783	0.5
195.05029	0.5
196.09668	0.6
200.04375	0.5
203.04007	1.1
204.07271	0.5
205.03510	0.5
213.12325	0.9
214.10736	0.9
215.07481	0.6
217.00148	1.0
219.01802	1.2
219.05002	0.6
220.99591	0.5
223.04520	0.6
226.06088	0.7
227.06799	0.9
228.10159	0.5
231.01628	0.8
231.13406	24.6
233.03159	0.8
233.06592	2.7
237.02815	0.8
237.06097	1.7
242.07368	1.3
242.57677	0.5
245.05109	0.7
249.02760	1.5
251.07666	1.9
255.07077	0.6
259.16556	42.4
260.17026	0.7
263.00705	1.1
263.04196	0.5
273.08057	0.8
277.07648	0.7
277.15759	0.6
278.10617	4.4
279.06842	0.6
281.01733	0.6
281.05331	1.0
291.03769	0.6
293.06241	0.4
297.08163	0.7
300.01535	0.5
305.10870	1.6
305.15100	0.7
321.10397	0.8
323.06351	3.1
323.12231	1.9
323.16324	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	322.0923
Annotation	RD 01A4
Peak:m/z	Relative Intensity
52.11178	1.1
56.05024	3.3
57.03425	1.9
58.06596	1.7
60.04534	5.3
61.02922	1.9
69.03427	3.2
69.07057	7.6
69.64622	1.1
69.73260	6.1
70.06600	6.5
71.04994	2.0
71.08640	1.5
72.08170	1.2
79.05509	1.5
81.03425	1.8
81.07071	1.6
82.06581	2.1
84.04504	1.4
84.08163	1.9
84.30600	1.0
85.02922	8.3
91.05473	1.3
93.03408	1.9
96.04517	1.7
97.02886	6.6
97.06544	2.5
105.03392	2.3
109.02927	2.2
111.47995	1.0
114.09189	2.2
115.05457	2.8
115.07616	5.8
119.01289	2.0
121.02883	4.2
125.05943	1.8
126.05552	1.4
127.03928	2.5
128.06232	1.3
129.07010	2.5
141.07021	3.9
142.06567	3.9
142.08643	10.1
143.07068	10.4
144.06595	4.7
144.07971	1.3
145.06425	1.4
147.04453	2.5
149.02408	1.7
157.06535	3.7
158.11781	2.9
160.07613	20.8
160.09688	11.4
162.07581	1.6
163.03954	2.3
164.04709	7.1
165.01859	6.8
167.03476	1.6
169.06566	3.6
173.06059	1.7
175.03906	2.1
176.04698	15.0
180.08775	1.2
184.09735	4.4
185.05977	7.1
187.07556	2.2
189.05582	1.7
191.03403	1.1
197.06006	7.8
199.07620	1.7
201.05453	1.8
202.10815	3.0
205.95512	1.3
213.05495	13.1
214.08612	2.0
215.03630	1.2
215.07076	5.7
219.03018	2.9
223.04053	1.3
225.05551	3.4
229.04953	7.0
231.06546	2.4
241.04967	11.7
243.06543	2.3
243.12186	1.3
244.03769	1.6
247.06026	4.0
257.04559	2.8
258.07733	2.8
259.06033	41.2
260.09116	1.8
261.07492	1.3
269.04541	3.1
275.05621	2.0
276.08719	2.3
277.12637	1.1
278.10257	2.2
287.05591	6.9
295.10437	1.3
304.08160	10.8
304.13937	1.7
317.01370	2.5
322.09290	100.0
322.13007	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	322.1289
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03958	1.1
55.01886	1.2
55.05521	1.3
55.06877	0.6
57.03445	2.6
59.05007	0.6
60.04520	1.9
61.02929	3.4
67.05495	0.7
69.03437	10.6
69.07069	2.5
69.44333	3.7
70.03797	0.6
70.06596	2.7
71.05001	1.8
72.04535	0.7
72.08184	0.7
73.02928	3.6
73.03300	0.7
73.06577	1.2
74.06880	0.9
79.05507	0.7
81.03413	4.0
81.07089	0.5
82.03727	1.0
82.06615	0.6
83.04986	0.5
83.56317	0.5
84.04512	0.6
84.08154	1.0
85.02912	14.2
86.06075	2.8
86.09713	0.6
87.04021	0.6
87.04461	3.3
90.05556	1.2
90.78637	0.5
91.03958	0.6
97.02905	7.4
97.06503	0.8
98.03229	1.2
98.97617	0.6
99.04457	1.7
101.06010	1.1
102.06419	0.9
105.07027	0.9
105.72549	0.5
109.02898	2.1
114.05526	0.6
114.09183	0.8
115.03918	0.7
115.05468	2.2
115.07582	1.2
116.07072	0.9
117.07035	1.1
118.06519	0.7
122.02695	1.0
127.03892	3.8
128.04259	1.1
130.06551	3.4
132.08122	6.2
133.08870	0.9
137.06049	1.1
137.72824	0.5
142.06534	23.9
142.08633	2.0
143.07280	8.2
144.06628	1.0
144.08101	13.0
145.04965	1.3
147.04427	0.9
152.05670	1.3
155.06073	0.9
158.06012	3.7
159.06841	1.2
160.07594	76.1
160.09738	2.6
161.08023	0.6
162.09203	0.8
163.03937	0.6
172.09732	0.8
189.07906	1.1
190.08620	0.7
190.10802	2.4
202.08704	1.1
232.05786	0.6
256.03500	0.5
259.06094	0.6
268.11624	0.6
304.11670	0.7
304.13904	0.6
322.12827	100.0
323.13013	1.1
341.05005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1441
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02385	0.5
53.03947	1.0
57.07074	0.5
67.23416	0.2
71.08632	0.4
71.52307	0.3
77.03954	0.3
78.03454	1.3
78.10083	0.2
89.06052	1.0
91.05477	0.9
95.04971	1.0
96.04504	100.0
96.87258	0.2
105.04542	0.6
105.07037	1.7
105.61222	0.2
107.04962	0.3
111.31377	0.2
115.05484	0.5
119.04960	6.7
128.06230	1.2
129.07024	7.0
133.06506	2.2
133.08621	0.3
134.07288	7.1
136.07573	1.6
141.07002	1.2
142.72037	0.2
146.83128	0.2
151.09721	0.7
153.06972	0.2
157.06555	1.2
170.07306	0.3
171.07991	0.3
181.10048	0.2
185.06000	13.8
186.06740	0.4
198.06705	0.3
199.07643	1.4
209.09619	0.3
227.10680	10.5
228.41507	0.2
290.07462	0.3
322.14374	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	322.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	100.0
59.99121	6.5
62.06081	2.7
69.18190	12.3
81.07064	2.3
85.07674	2.0
86.06067	13.1
92.09846	1.3
95.08643	1.2
102.03786	2.0
102.99681	2.1
116.04476	1.5
116.05322	40.7
122.06040	62.4
141.13922	1.2
142.42014	1.5
145.04315	9.3
201.10583	77.0
224.04919	3.5
233.24030	1.2
266.09583	2.2
322.15982	7.0
322.27493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.01870	3.9
55.05517	24.5
56.96560	3.0
57.03425	7.4
60.04524	1.7
61.68463	2.0
67.05486	5.1
68.99759	3.3
69.03436	67.4
69.82401	5.1
70.06588	7.7
70.91215	2.0
71.01363	2.9
71.04999	13.5
72.08117	2.6
73.02927	4.3
73.06561	61.5
79.05476	3.0
79.76553	2.3
81.03427	49.5
81.07066	3.7
83.04984	3.9
84.04472	2.8
84.08136	12.1
85.02910	58.3
87.00836	14.5
87.04472	4.5
91.05476	3.4
93.07056	3.2
94.06597	2.1
95.04968	4.1
95.08641	3.4
97.02891	52.4
97.06557	2.2
98.20731	2.3
98.97583	3.1
99.00115	1.9
99.04462	28.2
101.06028	48.0
103.03970	2.2
105.01864	6.0
109.02885	39.1
111.04464	4.8
113.06047	2.2
114.05565	9.9
114.06237	2.5
115.07561	3.6
116.07114	4.4
119.04951	5.7
120.08099	3.1
121.02854	2.6
122.06036	3.6
123.08056	4.1
127.03927	79.1
132.08037	2.3
134.09581	2.5
135.04343	2.3
136.07576	4.7
137.05972	3.4
137.16901	2.1
138.05525	11.1
140.07057	8.3
141.09106	2.9
142.06558	3.3
143.07243	2.9
144.08128	2.1
145.04953	6.9
147.02998	2.0
147.04391	7.8
157.08652	3.6
159.06548	4.5
160.07600	13.9
162.09181	7.1
163.00699	2.2
163.03886	2.2
164.07126	6.0
166.05081	4.4
169.08672	3.2
171.02951	3.2
177.05617	2.3
179.07034	2.6
180.10226	7.8
181.08598	6.5
182.08156	4.1
183.16087	2.0
189.03990	4.2
189.10272	3.3
190.08659	3.4
191.07101	2.0
199.09683	7.4
200.09485	4.1
201.10260	3.6
208.09677	24.7
210.11305	3.3
213.03937	4.9
215.11829	5.6
229.13351	20.5
231.04980	17.2
239.11775	3.0
257.12885	13.6
259.14499	3.2
267.11331	10.6
275.13892	9.9
285.09525	6.1
285.12332	22.7
303.05109	3.4
303.10455	4.3
303.13440	45.1
321.10962	5.9
321.14484	100.0
322.12747	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	321.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
53.97218	0.6
55.01864	0.7
55.05522	2.2
60.04534	1.5
67.05515	3.2
69.03439	2.5
69.07081	10.0
71.05005	1.1
71.52231	0.8
71.52587	0.7
72.04551	0.7
79.05517	3.0
81.03423	3.2
81.07069	6.5
81.45430	0.8
83.05003	1.4
85.02950	1.2
85.06572	0.8
86.09720	100.0
91.05505	3.2
93.07080	6.2
95.04987	2.1
95.08616	5.1
97.02907	1.6
97.06554	1.1
97.10217	1.2
103.05478	4.4
105.07056	2.7
107.04990	1.3
107.08615	3.8
109.01989	0.6
109.02876	2.3
109.06564	1.9
109.10169	4.2
117.03377	1.6
117.07028	0.9
119.08595	3.5
120.08125	96.4
121.06506	0.9
121.10170	4.0
123.08070	0.9
123.11698	1.7
128.10738	79.9
131.04955	3.1
131.08563	1.1
133.10161	2.9
135.08098	1.2
135.11697	3.0
137.09660	2.4
145.02885	4.0
145.10127	1.9
147.04434	2.7
147.08044	0.9
147.11729	1.7
149.06033	2.2
149.09631	1.3
149.13298	1.4
156.10222	19.1
159.11711	1.2
164.07153	1.4
165.09129	2.7
166.08669	70.5
173.13271	1.2
175.11171	1.6
177.05502	5.6
187.07742	0.9
230.21255	1.0
263.07269	0.9
275.09207	1.5
285.22177	1.7
289.08337	1.0
303.23206	5.5
306.08841	0.7
321.10367	3.6
321.14734	1.2
321.24408	4.1
322.25882	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49581	0.2
82.99877	0.3
91.14084	0.1
92.84128	0.1
98.97557	1.0
101.00890	1.0
112.73474	0.1
116.98621	0.2
117.50284	0.1
118.63932	0.1
119.01936	1.4
121.01595	0.1
122.97766	0.3
137.03047	0.1
140.98799	1.0
158.99928	2.1
177.00964	8.6
179.01302	0.2
182.99850	2.9
183.01213	0.2
193.41478	0.2
196.49968	0.1
201.00949	11.4
202.01003	0.2
202.93510	0.3
214.95706	0.1
219.02020	100.0
220.02190	1.9
220.94582	0.3
221.02545	0.7
224.02544	0.3
233.03709	0.1
236.99571	0.2
237.03156	0.2
238.95578	3.2
242.03615	4.8
256.96637	7.1
257.96835	0.4
260.00278	0.2
261.97256	0.3
262.95593	0.4
265.05164	0.2
272.94489	0.1
274.94977	0.2
274.97690	1.1
279.98221	1.2
280.96570	2.2
296.94839	0.2
298.18692	0.3
298.97699	40.1
299.18777	0.3
299.97812	1.0
303.98184	0.3
307.93106	0.5
308.43060	0.2
310.43439	0.3
316.93494	0.5
316.98846	0.2
317.43326	0.3
319.43869	1.1
319.94077	0.3
321.99295	5.1
322.99792	0.2
325.93881	0.2
328.44214	0.8
328.94363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74105	1.5
57.12969	1.6
58.06085	1.6
60.88072	1.4
63.17259	1.4
67.30095	1.4
70.73053	4.2
73.82311	1.5
82.06580	4.6
83.39400	1.4
84.28255	1.5
93.23459	1.5
100.07630	11.2
101.00884	5.5
113.00890	3.4
115.02466	2.3
119.01910	5.7
121.01614	1.5
123.05537	1.7
123.98325	1.3
131.01892	4.1
133.03477	3.6
141.06631	2.8
143.01924	2.8
144.13702	1.4
145.03485	2.3
146.08147	25.9
147.03204	1.6
147.08484	4.6
155.86649	1.8
159.07564	2.7
161.02966	2.3
168.99750	1.5
173.02864	3.2
187.00938	2.5
191.04070	1.7
211.83942	1.5
215.00316	2.7
223.76929	1.6
233.05046	2.1
237.06442	2.0
247.03056	6.3
249.19102	1.5
279.09082	2.0
320.09027	1.7
321.12076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
53.26418	1.1
55.01874	2.4
55.05518	12.5
56.96571	2.6
57.03430	3.4
61.02920	1.4
67.05498	2.3
68.06792	0.9
68.99795	1.9
69.03095	1.9
69.03442	26.9
69.07062	1.3
70.06576	3.5
71.04993	5.4
71.51571	1.3
72.08152	1.7
73.02908	2.9
73.06564	26.9
81.03426	20.5
81.07027	1.4
83.04961	2.1
83.28036	1.2
84.04504	1.6
84.08150	14.9
85.02915	26.0
85.06529	1.0
86.09727	5.5
87.00837	6.6
87.04460	1.3
91.05484	2.4
95.04987	1.9
95.08597	1.2
96.04527	0.9
97.02912	18.3
97.06556	1.7
98.97592	3.1
99.04479	9.9
101.06025	22.0
103.03951	2.0
105.20282	1.1
109.02901	16.6
111.04469	2.9
112.78237	1.0
113.05972	2.1
114.05577	5.0
115.03938	1.8
116.07069	1.8
119.04921	2.5
120.08131	1.6
121.02918	1.5
122.06027	1.9
123.04427	1.7
123.08057	2.1
123.68945	1.1
127.03929	32.4
136.07622	2.2
138.05502	4.7
138.09160	1.2
140.07086	2.6
141.05447	2.4
141.09100	2.1
147.04420	5.9
152.05699	1.2
154.08595	1.5
157.08670	1.4
159.06555	1.4
162.09184	2.6
164.07368	3.5
166.05069	2.3
166.08757	1.1
169.08643	1.5
176.09515	1.7
180.10234	3.2
181.08612	2.9
182.08206	1.9
187.14638	1.1
189.10333	4.9
189.12357	4.4
196.10017	1.1
199.09673	5.2
200.09428	5.9
200.83223	1.2
201.10324	5.6
202.11014	4.4
208.09685	7.1
213.03998	1.9
213.10347	1.5
214.11075	4.5
215.08374	1.1
215.11757	6.1
227.11618	1.3
229.13391	26.7
231.03035	1.2
231.05026	5.9
239.11766	3.0
257.12854	18.8
257.15240	1.8
259.14371	2.2
261.12613	1.2
267.11316	3.9
272.11658	1.6
275.09369	2.5
275.13840	10.2
285.09573	2.2
285.12387	16.3
286.10696	1.1
290.12689	1.2
303.10587	2.2
303.13434	53.6
304.11813	2.0
321.11127	4.7
321.14490	100.0
322.09271	3.0
322.14487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.6
57.44954	1.9
69.03432	5.2
69.35393	15.6
70.99873	3.4
82.06579	3.4
82.99852	12.3
84.11488	2.1
85.01395	2.8
85.02888	9.1
86.44298	2.3
92.57774	2.6
97.01366	3.9
97.02881	6.0
98.21574	4.9
100.07632	14.3
101.00888	92.0
103.00645	6.1
103.02467	5.1
111.05572	3.9
113.00867	25.7
115.02438	33.4
119.01929	96.9
121.03443	2.7
126.98805	3.0
127.02432	9.5
127.03900	4.2
129.02162	3.9
129.03983	8.8
131.00223	2.0
131.01912	39.3
133.03481	52.8
137.02951	10.4
137.66403	2.2
139.02399	2.7
139.23662	2.3
141.03963	4.1
141.06581	9.7
143.01900	24.4
144.99797	6.8
145.01625	6.6
145.03452	19.5
146.08134	14.5
147.03215	5.1
147.05032	6.9
149.02942	8.8
151.04489	5.5
155.01894	19.4
157.01674	2.6
157.03465	14.8
159.01430	3.4
159.03142	3.2
159.05022	9.4
159.07565	4.0
160.47604	2.3
161.02966	35.4
168.99861	28.2
171.01358	11.1
171.05023	6.2
173.03001	41.2
175.04529	20.9
177.02397	4.4
177.04074	3.1
177.06071	3.1
183.01378	2.8
185.02946	8.5
187.00908	46.9
187.02484	3.7
187.04559	5.4
189.02440	26.6
189.06084	4.0
191.02359	4.0
191.03984	20.5
196.99345	17.5
197.03049	3.1
199.00787	3.9
199.04547	4.3
201.02414	24.1
201.06116	4.5
203.04048	11.2
205.01939	8.8
205.03725	2.7
207.03479	3.7
210.02502	3.0
213.02440	4.5
215.00400	48.9
217.01970	5.8
217.05669	3.9
219.01605	4.0
219.03519	36.1
219.07158	7.8
221.05008	11.9
229.01956	35.1
231.03563	12.8
231.07162	7.2
233.01399	3.5
233.05072	33.3
233.08673	3.0
235.06621	13.4
237.06447	3.6
245.05063	9.8
247.02998	100.0
249.04588	5.8
249.08142	3.6
253.07646	12.0
255.07504	5.2
259.06647	3.1
261.04602	9.3
261.08185	8.3
265.04144	13.0
270.04584	2.8
277.07654	4.5
279.05670	8.3
279.09268	9.4
289.04074	20.2
298.09042	5.4
298.18533	2.8
321.06577	14.3
321.10507	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35403	1.1
59.95882	1.1
63.10516	1.2
69.03414	2.5
70.99857	2.6
71.50422	1.7
73.01429	3.7
82.99835	11.9
85.01405	2.9
85.02896	1.9
85.27925	1.3
89.00900	2.3
91.02479	2.1
97.01421	4.8
97.02869	1.6
98.97608	3.5
99.02956	1.6
101.00890	77.5
102.00967	2.1
103.00642	5.1
103.02448	3.3
105.04064	1.7
105.89532	1.5
108.59338	1.5
113.00879	22.6
115.00626	3.7
115.02448	26.2
115.03969	2.3
116.07125	1.9
117.02205	2.1
117.04009	3.3
119.01926	67.0
121.01718	3.1
125.00874	1.8
126.98814	3.3
127.02437	4.4
129.00331	1.3
129.02161	3.8
129.04008	7.9
131.01913	28.8
133.01852	1.4
133.03482	37.4
135.05045	2.2
137.00841	3.0
137.02980	5.5
143.01907	21.6
144.99828	3.9
145.01649	3.1
145.03455	12.0
146.08141	3.1
147.03183	7.9
147.05043	4.9
149.02991	4.7
151.04541	3.9
155.01929	11.1
156.02641	1.3
157.01694	3.8
157.03445	7.7
159.01459	1.3
159.03268	4.1
159.05031	10.5
161.02986	19.2
163.02769	1.6
163.04547	2.4
167.01982	1.6
168.99846	19.4
171.01398	9.1
171.05089	8.3
173.02966	20.1
173.06639	2.4
175.02817	1.6
175.04541	5.8
177.02496	2.8
177.06111	5.1
183.01393	2.4
183.05013	3.6
185.03047	3.5
187.00916	41.0
187.02631	2.9
187.04492	2.8
187.51765	1.4
189.02475	17.3
189.06061	3.2
191.04053	15.5
196.99353	16.3
199.00986	2.0
199.04625	1.4
201.02425	7.5
201.06094	3.9
203.04036	7.2
205.01981	9.7
205.03731	2.6
213.06238	2.1
215.00388	51.1
217.01918	1.8
217.05560	1.9
219.03539	5.9
219.07135	9.9
221.05093	11.2
229.01933	36.7
229.04083	2.6
231.03513	5.8
231.07146	10.1
233.01466	3.2
233.05096	33.1
235.06682	3.4
237.06381	8.4
245.05168	7.1
247.03017	100.0
248.03024	1.8
249.04562	3.3
251.06215	1.7
253.07838	1.8
255.07341	8.0
261.04648	3.9
261.08243	13.4
265.04044	9.5
270.04718	1.8
273.08182	1.5
279.05640	5.6
279.09274	16.6
289.03986	11.9
307.05164	2.3
321.06650	10.9
321.10226	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
65.03938	1.8
67.05497	0.8
69.07065	1.1
70.50513	0.3
71.08965	0.8
79.05497	0.6
80.05014	1.1
80.97741	0.4
81.07049	1.4
91.05499	1.0
92.05013	4.8
93.07040	1.2
93.68948	0.3
94.06559	0.5
95.04955	0.7
95.08614	1.2
95.56761	0.3
96.08127	1.0
97.02894	0.7
105.07063	0.9
106.06589	0.7
107.08562	0.7
108.04495	1.4
109.10197	0.5
110.06047	0.8
110.09699	1.4
115.05473	0.6
117.07023	0.5
119.08599	0.9
120.04481	1.3
121.06542	0.5
122.09647	0.4
124.07611	2.7
125.08428	0.7
129.07011	0.6
130.40205	0.4
131.05959	0.4
131.08615	0.4
133.10138	0.5
136.03938	6.7
137.05931	0.4
138.05501	0.5
138.09151	18.6
144.08080	1.3
145.10196	0.5
147.11670	0.6
149.05981	3.0
150.05496	0.4
150.09108	0.9
151.03938	3.5
153.07007	0.6
154.05013	2.8
154.06160	0.4
155.08568	1.6
156.08121	0.6
157.07629	0.4
157.08977	0.4
157.10155	0.9
157.66515	0.4
158.09676	0.8
158.50429	0.4
159.09218	0.7
159.11682	0.8
164.03442	4.9
167.07300	0.9
167.08662	0.5
169.08841	0.8
170.05957	0.5
170.09691	0.5
171.09160	0.6
172.09946	0.5
172.11307	0.5
174.12825	1.3
176.03392	1.9
177.05476	4.2
178.04919	0.4
182.04524	17.3
182.05969	0.9
182.08188	0.6
182.09709	1.1
184.07607	0.7
184.11259	1.7
185.10838	0.5
186.12857	0.6
195.06822	0.7
196.09938	0.6
198.07857	1.3
199.08659	2.3
199.12373	1.0
200.09479	1.1
201.10237	0.6
201.13905	7.0
202.12338	1.0
210.09213	1.3
211.08685	1.3
211.12393	1.3
212.09291	1.6
212.10770	2.2
213.10229	0.5
214.12256	1.6
226.07396	0.7
227.08237	1.3
227.11810	3.7
228.08778	2.8
229.09698	1.2
229.13379	38.4
230.11716	1.3
237.10271	0.7
238.08565	2.1
239.11833	1.0
240.08618	0.8
240.10429	0.6
245.09239	0.8
255.07498	0.5
255.08522	0.6
255.11287	8.6
256.09851	0.8
257.12872	23.7
258.11322	1.0
266.08151	0.6
268.08551	0.5
271.10953	0.5
272.07901	2.0
272.11057	0.4
273.12350	7.9
283.07867	0.8
283.10803	10.1
284.09155	12.8
287.63370	0.4
290.09012	0.7
291.13477	1.8
301.11865	25.2
319.12909	100.0
320.13144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.8
67.05499	0.7
69.07056	0.6
69.27884	4.2
79.05473	0.7
81.97610	0.4
89.06056	1.1
90.48718	0.4
91.05501	0.6
92.05005	0.8
93.07046	1.1
95.08576	0.6
97.02886	0.5
105.07043	0.5
114.53008	0.5
118.06557	1.0
119.08575	0.8
120.04471	0.7
122.06016	0.5
123.08113	0.5
133.08662	0.5
135.11668	0.5
136.07614	3.9
138.05508	7.3
138.80717	0.4
141.05476	0.5
147.11664	0.6
148.03967	0.8
148.07549	0.9
152.03336	0.5
155.08598	0.7
157.10205	0.5
158.09656	0.6
162.05566	0.7
166.05014	15.7
167.07329	1.1
168.08028	0.6
169.05048	0.6
169.08899	0.8
172.07521	0.6
172.11209	0.6
182.09689	1.6
184.09886	0.9
184.11392	1.0
185.10759	0.8
186.09119	0.6
188.88647	0.5
194.08359	1.2
196.07616	0.9
199.08705	0.9
199.12433	2.4
209.10751	4.3
210.09190	2.7
212.10982	2.9
214.08574	3.1
221.87468	0.5
227.08138	1.8
227.11806	3.0
228.10167	0.6
230.11795	3.5
232.09747	0.8
237.10255	3.7
238.08618	1.6
240.10339	0.6
241.09735	0.7
242.08080	0.8
242.10416	0.7
243.07718	1.3
245.09267	12.3
247.17336	0.5
250.07533	0.7
255.11314	21.8
257.13153	1.0
258.11194	0.7
260.09241	1.1
265.09750	6.7
270.09918	3.2
273.12366	16.4
274.12933	0.5
283.10818	19.9
283.14020	0.9
301.11853	100.0
302.12180	1.4
310.64987	0.5
319.07584	0.5
319.12933	2.0
319.16260	0.9
319.22403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01870	0.7
55.05507	0.6
57.03435	1.2
58.04553	0.3
61.02928	1.7
67.05499	0.6
69.03434	4.5
69.07075	2.1
70.06599	1.4
70.07397	0.4
71.04990	0.6
71.50876	0.4
72.08146	0.8
73.02914	0.7
79.05482	0.3
80.05023	0.3
81.03426	1.9
81.07059	0.5
82.02953	0.3
82.06558	0.8
83.08635	0.4
84.04499	0.5
84.08153	0.3
85.02914	7.5
86.09705	1.3
87.04470	0.8
91.03963	0.5
91.05489	0.8
93.07048	1.1
94.06569	0.3
95.08624	1.5
96.04498	2.7
96.08133	1.6
97.02901	3.4
97.05283	1.7
97.06536	0.9
99.04446	0.9
100.07618	1.2
108.08114	0.4
109.02892	1.3
109.06520	0.8
110.06052	5.8
110.09705	3.4
111.08064	1.0
116.07106	0.3
118.94847	0.3
120.08106	0.9
121.06516	3.9
124.07675	0.3
125.08392	0.6
126.09161	7.6
127.03928	1.8
130.08488	0.3
131.18065	0.3
132.93741	0.3
135.08160	0.2
137.05960	0.7
138.09149	23.3
139.07565	1.6
141.52800	0.3
145.04988	1.1
151.07574	0.3
152.10754	0.3
156.10213	100.0
157.10530	0.5
168.10229	1.1
173.12874	0.9
177.07114	0.3
180.10220	0.4
183.07959	0.3
191.08447	0.2
195.08104	0.3
198.11298	0.6
201.12648	0.3
202.08630	0.5
206.33287	0.3
222.11258	0.4
241.08440	0.3
252.12325	0.3
280.00153	0.3
303.04440	0.4
318.06769	0.8
318.12479	0.2
318.15756	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99673	2.1
52.86454	1.7
53.03943	3.1
55.01866	4.3
55.05490	2.3
56.96552	2.8
57.03433	3.6
57.64994	1.7
60.10157	2.4
60.37617	1.7
61.02923	8.5
65.03917	2.0
67.04245	3.8
67.05514	5.3
69.03436	18.6
69.07063	2.8
69.91432	8.9
69.91782	3.7
70.06590	8.0
71.04986	3.2
72.08148	8.4
73.02913	3.6
78.63752	2.1
81.03413	7.3
81.07073	13.3
82.06590	100.0
84.04504	7.5
84.08128	4.4
85.02914	84.8
86.09716	24.4
87.04473	2.4
88.04002	7.1
91.03956	6.3
91.05488	3.2
93.07050	4.8
95.04991	2.0
96.08144	2.3
97.02908	21.2
97.06531	3.0
98.21458	2.0
99.04466	5.8
100.07632	33.8
102.05548	3.8
107.04967	3.8
109.02911	6.6
109.06525	10.8
110.09725	2.9
111.04426	3.7
112.07616	3.6
121.02934	3.7
121.06525	53.5
124.07607	4.6
127.03938	16.4
127.07515	3.0
128.07094	75.5
128.69438	2.2
131.04984	3.4
132.10248	5.8
137.05998	17.5
138.05484	8.4
138.09145	18.1
139.03932	3.8
139.20059	2.1
145.04967	29.8
146.08122	18.0
147.04448	3.7
151.07535	2.2
152.07054	5.8
155.07082	3.6
156.06589	5.3
156.10210	25.0
159.07822	6.6
161.05920	2.7
163.06067	5.8
163.24443	1.9
173.12885	3.2
174.03879	2.1
179.06976	2.9
180.08694	17.2
187.07455	11.5
189.12305	2.3
201.12384	8.4
205.08626	5.6
229.11848	3.2
231.56735	2.3
247.09613	3.9
247.79395	2.3
249.83138	2.4
265.10675	4.3
283.15366	2.2
303.04590	5.0
318.07095	5.3
318.12317	4.2
318.15512	93.0
318.29922	2.1
319.13617	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	318.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05515	1.9
56.96561	2.3
57.03443	2.7
60.04526	1.4
61.02927	3.9
65.03948	1.0
65.71268	1.0
67.05524	2.3
68.05036	1.4
68.79852	0.9
69.03443	10.9
69.07063	3.0
70.06600	11.4
70.20877	3.7
70.24966	0.9
71.05005	1.6
72.04539	1.1
72.08167	24.5
73.02914	2.1
73.75138	1.1
73.75593	1.1
76.51271	1.0
77.71991	1.0
81.03413	4.1
81.07047	1.1
82.06591	3.8
83.04991	1.7
84.04514	9.1
84.08146	4.1
85.02915	20.4
86.06094	2.2
86.09721	46.0
87.04478	2.9
88.04005	1.7
93.03429	1.2
95.04961	1.7
96.04509	26.0
97.02901	9.7
98.97591	2.5
99.04461	2.1
100.07620	1.9
102.05569	1.8
104.46017	1.1
105.07020	1.2
107.42615	1.1
109.02876	4.4
109.06503	1.2
110.06032	1.9
110.07181	1.5
111.04416	3.0
112.08742	1.1
114.05521	3.5
114.09220	1.2
116.07062	2.2
121.02853	3.7
124.07563	1.7
125.07175	1.0
127.03955	6.7
128.07127	5.3
129.06612	1.7
130.04968	1.3
137.06023	2.3
138.04456	2.3
138.05527	44.8
138.09152	1.7
139.03909	4.7
140.07092	2.3
141.10193	1.6
142.08714	1.1
143.11819	4.7
144.01184	9.6
145.05002	3.8
147.04404	2.4
148.06097	3.0
152.07127	1.2
156.06581	100.0
156.10168	3.8
157.04974	1.5
157.13385	2.4
164.07063	1.1
167.84137	1.3
171.11322	2.1
180.06598	2.4
185.16536	17.6
197.12892	4.8
198.07642	1.7
201.12341	1.4
209.66220	1.1
213.15945	7.9
215.13918	2.3
217.53885	1.0
219.01674	1.5
225.12354	2.6
226.12709	1.4
277.07587	1.2
316.07516	1.2
318.06378	1.4
318.11996	22.2
318.15463	3.3
318.19238	1.7
318.30060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.4
59.65888	1.4
61.02918	4.4
62.04527	1.2
62.05229	1.3
66.65312	1.2
69.03423	5.4
69.49557	3.9
69.49983	6.5
70.06589	3.7
72.08137	2.1
81.03412	6.4
82.99849	3.3
84.08140	2.3
85.02915	8.0
86.06085	8.3
87.04458	2.5
90.66622	1.3
91.05482	2.3
97.02890	5.8
98.20791	2.9
98.97570	3.0
99.04437	3.8
99.51574	1.4
100.00125	1.6
100.07618	3.4
101.00892	23.7
109.02885	5.6
113.00857	3.2
115.02419	5.2
119.01930	25.8
119.04916	5.1
127.02449	1.7
127.03938	15.6
131.01877	4.6
133.03523	7.5
137.02927	2.1
137.05026	1.9
137.06000	19.1
138.05528	16.0
139.02415	4.9
141.00320	2.7
142.01158	1.9
143.01933	17.9
145.03513	8.1
146.08130	2.7
147.04414	11.2
148.23624	1.5
155.01924	1.9
156.06557	6.5
156.10216	3.5
157.03476	22.0
159.01372	5.7
160.02240	1.9
161.02983	22.2
167.01909	5.0
169.03506	2.2
171.05043	3.1
173.03024	2.8
173.09213	2.3
175.00861	2.4
175.04529	14.7
179.03809	1.4
179.07140	7.4
181.03413	1.6
183.05054	3.4
185.03006	14.8
187.04526	4.4
199.04501	5.9
201.06055	3.8
201.08784	2.1
203.03973	7.6
217.01984	5.7
217.05562	3.5
219.05014	1.5
221.05179	2.4
227.04033	2.1
228.07227	2.3
231.13507	2.8
235.03113	2.7
244.84201	1.5
245.04956	1.8
249.06195	2.3
253.07907	1.7
259.03226	1.4
259.06638	4.6
277.07712	60.6
293.94363	1.6
295.08774	100.0
296.08850	2.2
318.10419	2.5
318.16443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67015	0.5
51.02347	0.5
53.03918	0.9
55.01851	1.1
55.05470	3.1
57.03392	2.3
57.03656	0.7
65.03922	0.9
67.05511	11.0
68.99747	1.8
69.03389	1.2
69.07069	5.7
69.61579	1.0
69.61987	1.8
70.43420	0.5
71.01310	0.5
71.04945	1.6
74.29164	0.5
77.07639	0.5
77.35286	0.5
79.05499	6.7
79.18994	0.5
81.07064	29.1
83.04987	2.7
83.08569	2.1
84.02078	0.5
85.02881	0.5
85.06503	2.1
88.76478	0.5
91.05489	10.9
93.07056	6.4
95.05008	2.4
95.08619	6.7
97.06535	4.7
98.20801	0.6
99.00800	0.6
99.08074	1.1
103.05419	0.9
105.07046	12.7
107.04942	1.2
107.08578	4.8
109.06506	2.5
109.10093	1.1
112.01542	1.0
113.06050	0.5
115.05428	0.8
116.06190	0.6
117.07021	0.8
119.07834	0.8
119.08597	9.3
120.02054	0.9
121.02872	9.4
121.09465	0.5
121.10154	5.5
123.04375	1.0
123.08018	1.8
123.11713	7.8
127.00255	0.9
129.06990	1.2
131.04897	0.9
131.08546	1.9
133.10150	5.8
134.03639	3.7
135.04395	1.0
135.08026	0.6
135.11674	0.8
137.02313	0.6
137.13214	1.6
140.00974	1.9
141.09091	0.6
145.10115	1.0
147.04387	1.5
147.11700	27.9
149.09592	1.1
151.07503	0.5
157.06470	0.6
157.10175	2.5
159.04430	0.6
159.11647	1.0
161.88997	0.5
163.03880	1.3
163.07506	0.6
163.11057	0.6
165.06993	0.6
165.12767	20.0
166.02603	1.4
167.10626	0.7
168.00563	11.5
169.01328	3.7
173.00940	0.4
175.03902	0.7
175.11177	4.0
175.14777	0.5
176.04800	0.5
177.05457	1.1
179.03410	0.9
181.04965	15.3
186.01584	5.9
193.04852	0.5
193.12244	9.4
197.04373	0.6
197.06001	0.6
197.15376	5.4
200.04640	1.2
202.16713	0.6
203.03436	0.6
205.04729	0.5
207.06517	0.6
209.09619	0.6
211.07626	0.6
217.05013	0.7
217.22778	0.5
218.05740	1.4
221.04451	1.4
225.05489	0.6
225.09145	1.6
225.14865	1.9
228.04152	1.6
229.05011	1.1
229.08693	0.8
229.14360	1.2
231.02951	0.6
243.15936	1.9
245.04449	3.7
246.05197	2.4
253.08572	2.3
256.03641	2.0
256.06131	0.6
256.75192	0.5
257.04422	2.0
257.08191	0.7
267.15894	4.9
271.06122	0.8
271.09506	1.4
273.04074	0.6
273.07547	0.7
273.11215	0.9
274.04776	1.9
281.08102	1.4
284.03055	1.3
284.05933	0.8
285.03925	0.9
285.16922	1.1
299.05969	0.7
299.09201	2.0
299.18518	16.2
301.03403	7.7
302.04233	67.5
303.04654	1.3
317.06580	100.0
317.09921	6.9
317.23264	1.6
317.24557	1.6
317.28088	0.6
318.06885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.03931	0.3
53.89659	0.2
54.78297	0.2
55.15120	0.2
57.03410	0.7
64.55567	0.2
67.05476	0.4
68.99789	1.5
69.03413	0.2
69.07044	0.5
71.51512	0.4
71.51871	0.3
74.20913	0.2
77.35236	0.2
79.05467	0.8
81.07043	0.6
81.18913	0.2
84.02068	0.3
85.06532	0.6
86.09703	0.4
91.05453	0.5
93.07026	0.6
95.04958	0.3
95.08603	0.4
97.06023	0.3
97.06535	3.3
99.00786	1.1
105.03344	0.3
105.06987	0.5
107.04961	0.3
107.08556	0.3
107.88475	0.2
109.10147	0.4
109.55431	0.3
112.01572	0.6
116.06247	0.3
119.08559	0.3
127.00282	0.9
131.04889	0.6
133.10060	0.3
134.03645	4.1
135.04390	0.4
137.02327	0.3
137.05983	0.3
140.01015	1.6
143.08539	0.3
147.04399	0.4
147.11789	0.2
153.01817	0.8
153.05536	1.4
159.04425	1.4
168.00557	14.1
169.01331	3.6
172.05234	0.5
173.06064	0.3
175.03784	0.2
176.04620	0.3
177.05463	0.4
180.34677	0.2
183.02869	0.4
186.01619	4.3
187.04010	0.3
189.05348	0.3
200.04709	1.7
201.09209	0.9
203.03377	0.7
217.05037	0.6
218.05780	2.0
228.04137	1.5
229.04994	0.6
229.08598	0.4
231.02916	3.4
245.04457	3.7
246.05228	2.4
256.03696	2.1
257.04425	2.4
271.05991	1.1
273.04050	0.9
273.07602	2.8
274.04663	1.8
284.03146	1.7
285.03952	0.8
299.05423	0.6
299.09067	0.6
299.20081	0.4
301.00012	0.5
301.03458	7.6
302.04233	71.9
303.04575	0.4
317.06583	100.0
318.06842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
51.89158	0.5
53.03947	0.6
55.01655	0.4
55.01874	3.8
55.05508	2.1
62.07494	0.4
67.05496	1.5
68.99790	1.0
69.03420	0.4
69.07062	2.4
70.06113	0.8
70.06491	1.4
73.86666	0.4
76.66979	0.4
79.05499	5.9
80.06256	0.6
80.48859	0.5
81.03465	0.4
81.07059	6.2
83.04989	0.8
91.05460	2.7
93.07048	0.4
95.04958	1.4
97.06533	2.9
99.00763	0.4
103.05450	1.1
105.04514	0.5
105.07021	0.7
107.04974	2.4
110.03682	0.6
112.01582	0.7
115.05469	1.1
117.07023	0.6
119.04974	2.7
123.04442	1.0
128.06224	0.9
129.07013	1.2
129.81168	0.5
131.04941	2.5
132.05727	0.4
134.03650	4.6
135.04460	2.1
137.02359	0.8
137.05968	1.5
140.01027	1.4
141.06978	0.7
145.02858	0.9
145.06555	2.1
147.04402	2.6
149.02319	0.7
153.01801	0.4
153.07077	0.6
157.06499	0.7
159.04417	5.0
159.08096	0.5
160.05217	0.6
163.03925	2.1
165.07072	0.6
168.00562	11.4
168.05714	0.5
169.01318	2.8
169.06494	0.9
171.04456	0.7
172.05208	0.6
173.06003	1.9
175.03937	1.6
177.05449	0.9
181.06496	0.9
182.07170	0.5
185.05988	27.2
186.01627	3.6
187.03946	1.1
187.07538	1.3
188.08319	1.9
191.03438	3.6
197.05968	1.1
197.09560	1.0
198.06810	0.7
199.03883	0.4
199.07562	0.8
199.11223	0.5
200.04730	1.1
201.05511	0.9
203.03419	4.1
205.04996	3.1
207.08124	0.5
209.09619	0.5
210.06644	0.5
211.07480	0.8
213.05403	1.3
216.04237	0.5
217.04993	0.8
218.05728	0.9
225.09109	1.5
227.10648	5.4
228.04211	2.3
229.04959	4.9
229.08501	0.5
231.03117	2.5
231.06529	13.9
235.07507	0.5
242.05792	1.6
244.07387	0.5
245.04483	4.4
246.05254	1.7
249.03931	5.8
253.08643	1.1
256.03668	2.0
257.04456	13.6
259.09680	0.9
271.06000	1.5
271.09671	1.3
272.06818	1.1
273.03937	1.2
273.11298	0.9
274.04724	3.3
275.05511	15.8
281.08060	0.7
284.03101	0.8
285.03900	1.3
287.09161	1.6
289.07272	0.6
299.05875	0.6
299.09119	10.3
301.03445	11.3
302.04224	70.9
303.04581	0.9
317.06561	100.0
317.10211	52.7
318.06973	1.3
318.10391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
56.02648	0.2
68.99796	1.8
70.00571	0.2
70.76520	0.4
80.05836	0.2
84.02094	0.6
98.21461	0.2
99.00807	0.7
99.84422	0.2
100.85668	0.2
107.04948	0.2
112.01616	0.9
116.06222	0.2
127.00272	0.8
134.03647	6.0
135.04402	0.4
137.02345	0.4
140.01057	2.4
144.05640	0.4
153.01822	0.5
154.99744	0.4
164.01059	0.2
168.00552	18.3
169.01332	4.8
171.04369	0.2
172.05141	0.6
175.03839	0.3
176.04655	0.3
179.03464	0.2
183.02869	0.2
185.27982	0.2
186.01614	4.3
189.05466	0.3
200.04678	1.7
203.03426	0.2
204.04239	0.2
211.78511	0.3
217.04900	0.3
218.05730	1.8
228.04178	1.6
229.04959	0.8
232.03818	0.2
245.04477	4.1
246.05254	2.7
256.03687	3.0
257.04465	1.8
261.07626	0.2
271.06058	1.2
273.03937	1.2
274.04709	1.6
284.03098	1.4
285.03870	0.8
289.06967	0.2
299.05438	0.6
301.03452	8.4
302.04230	74.6
317.06577	100.0
318.06912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.066
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
70.80257	0.9
70.80606	0.6
85.52617	0.4
92.02648	0.5
110.03664	1.5
122.52971	0.4
133.12431	0.4
134.03654	0.6
136.01569	0.5
137.02345	3.3
140.00981	0.5
147.94431	0.4
153.01895	2.2
168.00587	2.1
169.01305	0.5
186.01581	0.8
187.03998	0.5
193.01324	0.8
200.04761	1.9
203.03371	0.6
204.04309	0.8
216.23915	0.5
218.05621	0.5
228.04228	6.1
229.04947	2.4
231.03055	0.5
245.04411	2.7
246.05312	0.6
256.03613	1.2
257.04480	1.7
273.03928	1.9
274.04749	6.5
285.04010	2.0
291.67944	0.4
301.03464	21.0
302.04254	69.8
303.04745	0.7
317.06607	100.0
318.06900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03932	0.1
55.01874	0.2
65.03945	0.6
67.05509	0.3
68.99806	0.6
69.03429	0.2
69.07072	0.3
69.34595	0.9
72.08170	0.3
79.05505	0.3
81.03402	0.1
81.07061	0.8
81.57221	0.1
86.09713	0.2
91.05489	0.1
92.02631	2.4
93.03415	2.2
93.07053	0.3
95.08620	0.5
97.06552	0.3
98.97596	0.2
107.04955	0.3
107.08604	0.3
109.02871	0.2
109.10117	0.3
111.00822	0.6
113.73128	0.1
115.46378	0.1
117.07034	0.1
120.02154	0.2
121.02882	1.7
121.10187	0.1
122.03707	0.2
123.04440	0.2
126.03141	1.0
133.02863	0.2
133.06586	0.1
134.03659	0.4
135.04391	0.3
135.11665	0.1
136.07564	0.2
136.75171	0.1
137.02365	0.5
139.03903	0.7
139.27957	0.1
145.06526	0.2
147.04395	0.2
149.13341	0.1
150.03181	0.2
151.03932	1.3
151.05011	0.2
152.01082	0.2
153.01843	14.4
154.99771	0.1
155.04890	0.4
159.71040	0.1
161.06065	0.2
163.03940	0.4
165.01866	0.9
166.02632	0.2
168.00571	1.0
169.01361	0.2
173.05962	0.6
177.05495	0.7
179.03386	0.3
181.10046	0.1
183.02971	0.3
183.04440	0.3
186.01613	0.5
188.08362	0.2
190.06297	0.2
191.03421	0.2
192.04274	0.2
197.05972	0.2
199.07607	0.2
200.04659	0.8
201.05524	1.7
203.03418	1.3
204.04175	0.3
205.04991	0.3
207.08121	0.1
209.09612	0.3
211.07545	0.3
213.05559	0.2
217.04976	2.4
218.05772	1.4
219.02802	0.6
225.09210	0.4
227.10593	0.2
228.04187	3.1
229.04974	4.9
229.08528	0.3
231.02905	0.7
232.03683	0.3
239.03284	0.3
243.06555	0.3
243.10245	0.4
245.04480	2.9
246.05258	3.2
253.08646	0.6
256.03632	0.5
257.04486	3.5
257.08200	0.3
260.03177	0.7
261.07645	0.6
271.06067	0.5
271.09729	0.4
273.03943	2.8
273.06900	0.2
274.04752	5.4
281.08191	0.5
281.12756	0.2
284.03183	0.8
285.03986	5.1
286.04730	0.2
287.01892	0.2
288.06284	0.4
299.05676	0.3
299.09296	0.6
301.03503	1.1
301.06866	0.2
302.04236	23.8
303.04626	0.3
317.06577	100.0
318.06973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
54.79691	0.2
58.99709	0.1
68.99788	1.4
71.01413	0.2
71.16149	0.3
78.34875	0.2
83.97314	0.1
84.02130	0.5
86.09708	0.2
99.00835	0.5
107.04939	0.3
112.01602	0.8
116.06316	0.2
120.52324	0.2
127.00336	0.8
134.03641	4.4
135.04430	0.5
136.01558	0.2
137.02322	0.2
140.01077	2.3
144.05708	0.3
148.05147	0.2
153.01782	0.2
154.99847	0.3
159.04492	0.2
168.00557	15.4
169.01334	4.2
169.02795	0.2
172.05205	0.5
175.03894	0.3
180.67674	0.2
183.02960	0.5
186.01607	4.9
188.88388	0.2
190.06311	0.2
199.03955	0.2
200.04663	1.5
203.03377	0.3
217.05014	0.3
218.05725	1.6
227.03519	0.3
228.04181	1.6
229.04976	0.4
240.15576	0.1
245.02184	0.3
245.04501	3.5
246.05249	2.4
256.03696	2.4
257.04526	1.5
261.07632	0.3
271.05997	0.7
273.03903	1.3
274.04779	1.6
284.03220	1.4
285.03912	1.3
289.06985	0.2
299.05566	0.4
301.03458	7.9
302.04230	71.2
303.04617	0.6
317.06573	100.0
318.06873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31535	0.3
57.03437	0.3
59.12833	0.3
65.78785	0.3
68.99782	1.5
69.03427	0.5
70.73859	0.3
70.90053	0.7
77.35264	0.3
93.12099	0.3
97.02896	0.6
99.00835	1.1
112.01608	0.5
127.00282	0.5
134.03638	4.1
135.04410	0.4
137.02388	0.7
137.05946	0.3
140.01015	1.7
145.06544	0.3
153.01863	2.7
153.59915	0.3
154.99783	0.4
160.41968	0.3
168.00548	13.5
169.01347	3.5
173.05977	0.5
186.01575	3.2
187.42751	0.4
191.03441	0.5
200.04710	0.8
203.03429	0.5
205.05038	0.4
209.09593	0.5
213.05406	0.5
215.03423	0.3
217.05019	0.4
218.05740	1.9
227.03284	0.3
228.04108	1.8
229.02931	0.5
229.05000	2.8
232.03786	0.4
245.04474	4.3
246.05272	2.2
256.03702	2.0
257.04474	3.0
271.05981	0.8
273.03961	1.1
274.04736	1.9
284.03113	1.0
285.04031	2.6
299.05649	0.4
301.03494	6.7
302.04221	64.8
303.04462	0.7
317.06567	100.0
318.06906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
65.03937	0.6
67.01888	0.2
67.05495	0.3
68.99793	0.6
69.07061	0.2
70.56142	0.5
70.56461	0.2
71.04993	0.2
71.65230	0.2
72.86076	0.2
77.31053	0.2
92.02637	3.1
93.03414	2.0
95.08627	0.3
109.02875	0.4
111.00841	0.3
121.02881	2.0
122.03663	0.2
123.04407	0.5
126.03138	1.3
129.06969	0.2
136.01530	0.2
137.02341	0.6
137.06006	0.3
139.03905	1.2
145.06487	0.5
147.04402	0.2
150.03084	0.4
151.03902	0.9
151.04984	0.2
152.01028	0.2
152.06160	0.3
153.01842	14.6
153.07025	0.3
155.08560	0.2
159.08148	0.2
161.05942	0.3
163.03972	0.3
165.01825	1.3
165.06844	0.3
166.07764	0.3
167.08554	0.5
168.00519	0.5
169.06462	0.3
169.10199	0.3
173.06017	1.5
177.05482	0.8
179.03381	0.3
179.08572	0.8
181.06551	0.5
181.10138	0.7
183.02924	0.4
183.04443	0.4
183.08063	0.6
185.05959	0.5
185.09659	0.2
186.01634	0.4
187.03865	0.2
187.07574	0.7
188.08345	2.6
190.06287	0.4
190.09901	0.3
194.07449	0.4
195.08055	0.6
197.06027	0.5
197.09616	0.3
198.06743	0.4
199.07562	0.7
200.04671	0.6
201.05499	1.4
202.00757	0.2
203.03413	1.3
207.08105	0.9
209.09656	1.7
210.06757	0.8
211.03900	0.3
211.07550	1.8
212.08377	0.3
213.05438	0.3
213.09074	1.1
215.03374	0.3
215.07030	0.3
217.03143	0.3
217.05003	2.5
218.05743	0.8
219.02907	0.6
225.09108	3.6
227.07159	0.3
227.10663	1.8
228.04187	3.0
229.04976	6.0
229.08521	0.4
231.02928	0.8
232.03639	0.4
235.07532	0.7
237.09074	0.6
238.06560	0.3
239.07065	0.6
243.10228	0.8
245.04529	3.4
246.05244	2.6
247.02319	0.3
253.08618	2.3
256.03680	0.6
257.04480	4.3
257.08023	0.9
260.03189	0.8
261.07642	0.5
271.06107	0.3
271.09671	2.5
273.03976	2.9
273.07190	0.3
273.11182	0.6
274.01749	0.4
274.04742	6.4
281.08109	1.4
284.03162	1.0
285.03949	6.9
287.02200	0.2
288.06277	0.3
299.09088	2.5
301.03494	1.0
302.04230	23.8
317.06573	100.0
318.06958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.5
57.03432	0.6
59.05000	4.1
60.04521	1.6
67.05513	0.6
69.03432	3.3
69.07066	1.6
70.06597	9.6
70.06994	0.3
70.59241	0.9
70.59556	0.5
71.04981	0.4
72.08176	0.5
73.02917	2.3
73.06562	0.8
81.03445	0.6
82.06565	0.7
83.04971	0.5
83.11760	0.4
84.04504	0.8
84.08134	1.5
85.02885	0.8
86.06084	0.7
86.09711	10.9
87.04473	100.0
89.06037	4.7
91.05474	0.6
92.86691	0.5
93.07053	0.7
95.04977	1.7
95.08578	0.6
97.02911	1.5
97.06537	0.7
98.97601	0.5
100.07607	0.5
105.07033	0.4
109.02941	0.5
111.04409	0.5
112.03970	1.2
113.06009	1.5
115.08689	0.5
116.07096	13.2
119.04956	0.4
127.03921	1.3
128.07088	0.6
128.10709	0.7
129.10312	0.6
130.08539	0.5
131.07051	5.8
133.08626	0.7
136.06252	0.5
136.07629	1.7
137.06000	0.5
138.09181	1.7
139.07532	0.6
140.03398	2.8
146.53970	0.4
153.05544	0.5
154.08623	1.0
157.08626	2.9
166.08669	2.9
168.00648	0.5
173.12866	5.7
175.09669	26.3
182.99736	0.6
183.08199	0.7
184.07005	0.4
195.02975	0.6
195.06604	0.6
199.18130	2.1
201.12415	1.4
203.13960	0.7
207.08156	0.7
219.12256	0.7
224.82118	0.4
227.17569	0.4
235.07697	0.5
245.14095	0.7
252.10590	0.5
253.08685	1.5
257.08005	1.1
263.14929	9.2
266.06662	0.6
270.11520	3.0
280.11920	0.5
283.82443	0.4
298.12595	0.8
299.09259	2.3
302.04272	0.8
316.08731	0.8
316.11996	5.2
316.18008	0.7
317.06500	1.0
317.12112	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.04635	0.3
52.55145	0.3
53.03961	0.7
53.99833	0.3
55.05514	4.8
55.11029	0.3
56.05042	3.9
57.03438	0.6
57.07080	1.9
60.04532	100.0
66.52829	0.4
67.05511	9.2
67.86914	0.4
68.05034	0.8
68.99792	0.4
69.07079	5.2
69.95251	1.8
71.08639	0.7
72.04530	2.3
74.06096	1.6
77.49110	0.3
79.05508	4.0
80.05018	0.8
81.07065	7.4
82.06586	1.4
83.04983	0.8
83.08620	3.2
86.06078	0.8
87.04469	0.3
89.88374	0.4
90.05588	1.1
91.05493	2.8
93.07052	3.8
94.06571	0.8
95.04982	0.5
95.08620	6.6
96.08146	0.7
97.10186	1.9
98.20813	0.4
100.07600	0.4
105.07046	0.9
107.08612	1.4
107.60823	0.3
108.08070	0.5
109.10174	2.5
111.11768	0.5
112.07629	0.4
113.11851	0.3
118.74484	0.3
119.08621	1.4
121.10146	2.1
123.11735	1.2
133.10135	1.0
135.11696	0.6
137.09760	0.4
138.32640	0.3
147.11699	0.4
149.13248	0.6
245.04369	1.2
245.22659	0.5
250.25308	1.4
262.25372	1.8
268.26563	0.7
273.03928	1.3
280.26379	12.9
298.27432	15.3
301.03351	0.7
302.04205	0.8
316.05737	3.5
316.08994	0.5
316.28488	54.4
317.06396	1.8
317.29120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76565	0.2
53.05319	0.1
55.01874	0.3
57.23740	0.1
66.01057	0.2
68.83372	0.1
68.99798	0.4
69.07029	0.1
70.38871	0.5
74.85332	0.1
78.01100	0.2
81.03425	0.2
81.07060	0.4
84.08163	0.3
86.09720	1.1
87.10053	0.2
91.05454	0.1
92.02639	0.5
93.03433	0.2
95.08579	0.2
96.64083	0.2
105.07028	0.2
108.02122	0.2
110.03669	1.7
121.02885	0.4
126.03145	0.4
134.03667	0.5
135.04419	0.1
137.02357	3.7
137.03394	0.3
137.05988	0.3
147.04318	0.2
150.03156	0.4
153.01851	2.2
157.13364	0.4
158.13715	0.3
162.48534	0.2
163.03958	0.2
165.01843	0.3
166.02725	0.2
168.00572	1.5
169.01343	0.4
173.06059	0.2
176.04703	0.2
180.14938	0.2
186.01616	0.4
186.13187	0.2
188.08275	0.2
192.04221	0.2
193.01349	0.5
200.04684	1.7
203.03383	0.3
204.04205	1.2
215.03535	0.2
217.04977	0.6
218.05765	0.4
221.25722	0.2
227.03407	0.2
228.04170	5.8
229.04964	2.5
231.03096	0.3
245.04497	2.7
245.06831	0.3
246.05334	0.6
253.08757	0.2
256.03662	1.1
257.04468	2.2
271.06085	0.3
271.10526	0.3
273.03986	1.5
274.04733	7.6
284.03168	0.2
285.03964	2.8
285.07037	0.3
287.10495	0.2
299.05826	0.2
299.10135	0.4
301.03458	20.9
302.04224	72.2
303.04623	0.6
317.06570	100.0
318.06891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0818
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
52.85921	0.3
54.65032	0.3
55.05489	0.3
67.05508	0.3
68.99805	0.5
69.07065	0.3
74.32980	0.2
75.79867	0.2
76.34931	0.2
79.05474	0.4
97.06537	0.7
99.00848	0.4
105.05778	1.1
106.06535	0.4
112.01595	0.3
117.05722	0.2
127.00299	0.5
131.04892	0.3
132.04411	0.3
133.05251	10.1
134.03670	0.5
134.06024	2.0
153.05685	0.4
156.04449	0.5
157.05269	1.4
158.03667	0.3
160.03984	0.5
165.01837	0.4
168.00551	3.4
169.01353	1.2
170.05920	0.4
171.06772	0.5
172.05214	0.4
181.05193	0.4
183.02925	1.4
184.03957	1.8
186.01630	2.1
196.04065	0.3
199.06259	0.9
200.04733	1.6
209.04758	0.9
227.05750	3.2
228.04305	1.5
228.06342	0.3
237.04297	0.6
238.04951	0.3
245.04430	0.8
254.04533	2.0
255.05229	2.7
256.03595	3.1
256.05957	0.4
257.04300	0.3
266.04510	0.7
270.08298	0.9
271.06042	1.2
272.05508	0.6
273.03787	0.5
273.06485	0.5
281.04523	0.3
282.03998	0.7
283.04791	26.7
284.03131	2.3
284.05756	1.1
288.05984	0.4
288.08835	0.3
298.03903	0.3
298.07104	6.0
299.02185	0.5
299.05594	2.0
300.05157	1.0
301.05865	51.6
302.04047	3.2
316.08224	100.0
317.06360	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	316.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
64.24458	0.2
67.05528	0.3
69.03441	0.3
70.06599	0.7
71.04990	0.2
71.51175	0.4
72.08160	0.7
79.05505	0.5
81.03416	0.3
81.07066	1.4
82.06578	0.5
83.08602	0.4
84.08138	0.6
85.02914	0.5
86.09705	1.1
93.72968	0.3
97.05279	0.7
98.06048	0.5
100.07597	0.3
101.72644	0.2
105.70111	0.3
107.08585	0.3
108.08132	0.7
109.06528	1.1
110.06072	0.5
111.06837	0.6
117.86155	0.2
119.08614	0.4
121.06571	0.3
121.10192	0.6
123.08031	0.3
124.07620	0.3
126.09154	1.0
137.06004	0.7
138.09196	0.3
139.06351	0.8
149.09669	1.0
154.08655	100.0
166.08743	0.3
167.10696	0.3
177.09171	0.8
185.16492	0.3
195.10199	2.2
207.08102	1.0
225.09633	0.3
235.07664	0.6
253.08665	0.7
270.08856	0.3
270.11383	1.2
299.09534	0.7
302.04266	1.0
316.08755	0.4
316.12085	3.6
316.21326	0.4
317.06680	1.4
338.44946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0867
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.93233	0.2
66.91134	0.2
68.99879	0.3
69.73213	0.8
76.23542	0.2
79.49033	0.2
95.01423	0.3
98.20873	0.4
105.03545	0.6
110.03749	0.3
110.31326	0.2
115.98595	0.2
123.00903	0.8
124.60095	0.2
131.05048	0.2
133.03001	0.4
134.03653	2.0
138.03244	0.6
139.03973	0.3
139.05484	0.2
148.05293	0.4
151.00414	0.5
151.04013	0.3
152.01184	0.3
155.04971	0.2
159.04529	0.2
160.05325	0.3
166.02655	2.5
167.03439	6.3
169.01328	1.1
170.03708	0.3
171.04469	0.2
175.04042	0.3
183.04546	0.5
184.03728	3.7
184.05281	0.7
185.54416	0.2
188.04694	0.2
192.70490	0.2
195.04552	0.5
195.11378	0.2
199.07637	0.4
201.05515	1.0
211.04010	0.5
212.04724	2.4
213.05609	0.7
215.03600	0.2
215.07123	0.7
216.04280	1.0
216.07820	1.8
223.03893	0.4
224.04590	0.2
226.06299	0.2
227.03590	0.2
227.07016	1.5
228.04286	0.4
229.05019	2.5
239.03476	0.6
240.04224	5.5
243.06563	5.8
244.03773	3.3
244.07405	3.3
245.04221	0.3
254.05859	0.3
255.06570	4.7
257.04550	1.2
259.06097	1.7
259.09665	1.7
267.02951	1.2
268.03696	3.6
269.04535	0.5
271.06100	1.1
272.03238	1.3
272.06873	2.0
283.06058	6.9
284.03192	0.3
285.03992	1.2
286.04828	0.3
287.05582	3.3
287.09000	0.4
299.02994	0.1
299.05539	5.6
300.06317	29.0
301.06735	0.3
315.05188	6.7
315.08630	100.0
316.09006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.7
54.53420	6.2
55.01881	25.6
55.05515	45.6
57.03437	31.4
59.05002	4.5
61.02908	15.7
67.05502	19.1
69.03440	40.7
69.07059	18.3
69.27879	6.9
69.28283	35.3
70.06592	8.5
71.01343	12.5
71.04999	69.0
73.02911	24.4
78.03365	5.1
79.05501	25.1
81.03422	19.5
81.07059	43.8
83.04964	5.3
85.02914	58.6
85.06535	5.4
86.09727	8.2
87.04477	10.3
90.58849	4.9
91.05501	50.9
93.07056	79.8
94.44808	4.8
95.04979	20.8
95.08603	32.9
96.04491	5.7
97.02909	31.3
97.06535	18.5
103.03912	11.8
105.07047	66.9
107.04952	10.8
107.08602	80.6
109.02883	11.9
109.06528	41.1
109.10149	27.4
111.04450	13.7
111.08113	9.7
113.05994	5.7
115.03927	23.9
117.07010	18.6
119.07356	7.3
119.08592	68.4
121.06506	14.3
121.10126	13.9
123.04469	6.7
123.08070	30.2
125.09666	6.3
127.03909	13.5
127.11180	9.5
128.06168	6.8
129.07072	6.4
130.07819	5.8
131.08554	36.4
133.04988	20.4
133.06526	13.7
133.10130	16.1
135.04424	5.4
135.08073	13.7
135.11693	30.3
137.05977	14.7
137.09641	13.7
142.07727	6.1
143.08585	18.7
145.10115	33.2
146.55135	5.2
147.08034	28.2
147.11723	11.3
149.09616	10.9
151.07518	11.4
151.11200	7.6
153.12761	21.3
155.08571	7.0
157.10054	5.1
159.08067	12.6
159.11658	16.1
161.09680	6.9
163.11188	16.1
165.12776	100.0
171.08066	6.3
171.11650	7.7
173.09605	37.3
173.13214	12.4
175.07587	8.4
175.11075	5.6
177.12764	35.1
182.13589	5.0
183.08115	8.1
183.12019	5.5
189.12746	18.2
191.10661	10.1
195.08180	6.0
195.13834	8.5
201.12840	6.4
205.12279	6.6
207.13814	10.4
219.13852	16.9
224.65100	6.0
231.13802	8.6
241.08987	5.1
242.90009	5.2
243.13933	8.8
255.06349	5.1
261.14920	19.3
279.15927	16.0
283.09653	7.7
297.07541	6.9
297.16846	13.0
315.05103	10.5
315.08817	28.6
315.13272	22.6
315.17798	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	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.41969	0.2
60.47444	0.2
62.07162	0.1
65.32853	0.1
68.99786	0.7
70.24467	0.7
91.05483	0.3
97.06554	0.2
112.01589	0.2
115.38332	0.2
117.03394	0.4
119.94872	0.2
132.05704	5.0
133.06540	0.9
135.04463	0.3
140.01031	1.1
145.14757	0.2
153.01833	0.2
155.04881	0.2
158.53073	0.2
164.01041	0.3
166.99765	0.2
168.00548	6.8
169.01334	0.3
170.07300	0.3
179.03328	0.2
183.04399	0.2
185.00806	0.4
186.01584	2.1
198.06821	0.6
201.05516	0.2
211.03914	0.4
213.05476	0.2
225.05458	0.2
226.06252	0.6
229.04996	2.4
239.03401	0.4
241.04982	0.6
243.06509	0.4
244.03687	0.3
254.05730	2.1
255.06543	0.7
257.04453	4.9
259.05865	0.2
259.09573	0.2
269.04562	0.9
269.08127	0.7
270.05209	0.5
271.06030	2.5
272.06793	1.6
282.05286	1.2
284.02951	0.4
285.03931	12.1
287.05579	0.3
297.07559	0.3
299.05499	13.0
300.06281	76.4
301.06638	0.5
302.04178	0.5
315.08612	100.0
316.08984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	7-Ethoxy-3,3',4'-trihydroxyflavone
Peak:m/z	Relative Intensity
55.01860	0.9
55.05480	0.3
55.82844	0.2
59.36621	0.2
65.03942	0.2
67.05484	0.4
68.99790	1.8
69.03416	0.4
69.07061	0.4
71.01360	0.2
71.52588	0.4
79.05479	0.5
81.03382	0.3
81.07048	0.4
83.01339	0.6
83.04993	0.3
85.02915	2.4
85.31190	0.2
91.05480	1.6
93.07032	0.4
94.04177	0.3
95.01318	0.3
95.08604	0.4
97.02889	0.5
97.06532	2.5
98.97628	0.3
103.05475	0.4
104.06234	0.8
105.07013	0.5
107.04951	0.6
107.08607	0.3
108.02105	4.3
109.02884	0.4
109.10184	0.4
110.97534	0.3
111.00786	0.3
111.02367	0.2
113.02380	2.9
115.05441	0.3
118.04169	7.2
119.04946	4.4
120.05729	0.5
121.02874	3.3
121.10220	0.3
123.00777	1.4
123.04416	0.2
128.06253	0.3
131.04933	4.7
132.05714	9.6
133.02855	0.3
133.10150	0.2
134.03627	0.9
135.04385	0.4
136.05287	0.2
139.00275	1.6
141.01811	0.3
141.06985	0.3
142.04128	0.5
142.07802	0.3
143.04950	0.6
144.05708	1.0
145.06451	0.4
146.03615	0.9
147.04420	3.6
151.00252	0.7
151.03996	0.3
152.06201	0.9
153.01846	0.3
153.06892	0.3
155.04938	0.4
157.06480	0.9
159.04402	0.8
160.05202	6.2
161.06046	0.3
162.03107	1.3
163.04004	1.2
166.99789	0.4
169.01338	9.8
169.06458	1.9
170.07254	0.8
171.04448	1.3
172.05104	0.3
175.03877	0.5
176.04715	0.4
180.05696	0.3
181.06509	0.6
185.00688	0.3
185.05949	0.9
187.03912	2.0
188.04733	4.2
189.05426	0.4
191.03406	2.3
194.99194	0.3
195.08084	0.3
197.00810	0.9
197.05972	1.4
198.03136	0.3
198.06775	0.5
199.03883	0.3
200.04706	4.1
208.05168	0.5
213.00400	0.4
213.05547	0.6
215.03307	0.5
216.04207	1.4
217.04971	0.3
225.05431	0.6
226.06259	17.9
227.03369	0.3
228.04248	0.2
231.06573	0.3
233.04617	0.4
241.05002	0.8
243.06572	0.4
244.03694	3.4
249.03951	0.4
252.04092	0.4
253.05008	0.8
254.05756	33.0
255.06508	0.3
255.10013	0.3
256.03601	0.4
257.04462	3.4
259.05875	0.3
259.09705	0.5
269.04492	5.3
269.07730	0.5
270.05179	0.4
271.05933	1.3
272.03186	18.9
273.03665	0.3
273.55301	0.3
279.07574	0.3
282.05258	25.1
282.55997	0.6
283.02496	0.3
283.05713	0.3
283.09650	0.9
285.04062	2.1
286.04742	0.3
287.05545	18.2
287.08951	1.8
297.03934	5.0
297.08456	0.9
299.05539	1.9
300.02716	2.1
300.06244	11.9
313.03403	0.6
315.04984	100.0
315.08655	84.1
316.05347	1.2
316.08786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
54.00191	0.2
69.40215	0.2
69.44724	1.3
83.08586	0.2
91.05453	0.3
98.21551	0.2
101.89611	0.2
108.01375	0.4
108.02104	5.9
109.02875	0.3
118.04166	3.0
119.04932	0.9
121.02842	0.5
125.03455	0.2
134.03600	0.3
137.02342	0.3
141.06973	0.4
142.07758	0.2
144.05713	0.3
147.88919	0.2
152.01097	0.2
152.06226	0.7
153.01773	0.3
153.06960	0.3
169.06512	2.4
170.07291	1.5
181.06497	0.7
197.05948	2.0
198.06763	0.4
208.05145	0.6
225.05508	0.7
226.06258	23.4
227.06818	0.4
251.03401	0.2
252.04333	0.5
253.04921	0.8
254.05751	44.2
255.06255	0.6
256.03760	0.2
257.04437	0.7
269.04437	0.2
270.05295	0.7
271.06006	1.8
281.04535	0.2
282.05243	35.8
283.05707	0.3
284.26016	0.2
285.03937	0.7
297.07596	0.2
299.05518	2.1
300.06302	16.0
315.08630	100.0
316.09073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
65.83120	0.3
67.05618	0.5
68.99617	0.4
68.99937	0.7
69.07188	0.5
70.10732	1.0
76.85924	0.3
79.05637	0.5
84.41277	0.3
85.03039	0.3
91.05617	0.6
92.99936	0.3
93.46704	0.3
95.05087	0.4
95.08253	0.3
95.08797	1.0
97.06731	2.3
98.20788	0.3
105.03549	0.5
105.07185	0.9
107.08725	0.5
115.05641	0.3
119.05099	0.6
121.06725	0.9
131.05127	0.8
132.05844	0.5
133.05804	0.4
133.06718	1.4
133.10332	0.5
134.07457	0.7
135.08250	0.5
139.00452	0.7
141.11060	0.3
145.06641	0.4
147.04576	0.5
147.08238	0.4
159.04611	0.6
160.05334	0.7
161.05989	1.5
168.00722	0.7
169.01596	1.0
170.07373	0.7
171.04631	0.8
173.06116	0.5
174.06982	1.0
175.07681	0.5
184.05374	0.5
186.01685	0.4
187.04053	0.4
198.06822	0.7
199.04121	0.7
199.07721	0.5
200.04724	0.5
201.05695	1.1
211.03929	0.5
213.05675	1.0
215.03497	0.4
216.04274	0.5
226.06316	0.6
227.07213	0.8
229.04996	2.0
230.05840	0.6
231.02887	0.4
239.03508	1.0
240.04353	0.5
241.04991	7.4
243.06734	0.7
244.03697	2.4
245.04526	0.7
248.06877	0.7
254.05756	1.5
255.06715	1.1
257.04498	3.3
259.06131	0.9
267.02933	0.9
268.03705	0.4
269.04489	8.5
269.07620	0.5
271.06110	2.1
272.03571	1.6
272.06720	2.0
282.05325	0.9
285.03992	2.2
287.05615	2.4
299.05426	2.0
300.06317	64.6
301.06641	0.7
315.05051	10.2
315.08618	100.0
316.09052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
59.04226	0.2
68.99789	0.3
69.40478	1.3
69.40900	0.5
70.28290	0.2
115.63052	0.2
123.00764	0.5
134.03641	1.8
138.03125	0.3
139.03918	0.4
139.05457	0.3
148.05148	0.4
151.00281	0.3
151.03886	0.4
152.01064	0.2
155.04822	0.2
156.05632	0.2
166.02631	2.0
167.02010	0.3
167.03424	4.9
167.04846	0.4
169.01311	0.9
171.04379	0.4
175.03931	0.4
180.11798	0.2
183.04401	0.5
184.03720	2.9
184.05205	0.5
185.05983	0.3
188.08150	0.3
195.04391	0.6
199.07530	0.3
201.05495	0.9
212.04697	2.0
213.05580	0.3
215.07008	0.6
216.07744	1.4
223.03850	0.5
227.07002	1.4
228.04141	0.3
229.04974	2.3
239.03459	0.2
240.04179	3.3
243.06532	5.6
244.07312	3.1
255.06549	4.2
256.07339	0.3
257.04474	0.9
259.09708	1.9
267.02908	0.8
268.03644	2.1
271.06039	1.0
272.06714	2.0
283.06039	4.5
285.04010	0.5
286.04559	0.3
299.05487	4.9
300.06296	26.3
315.08627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55295	0.4
61.13639	0.3
68.99786	0.4
69.68272	1.1
69.68682	1.1
71.28209	0.3
79.68306	0.3
92.71565	0.3
97.06513	0.7
119.04935	0.3
123.00795	0.7
123.04441	0.4
134.03613	1.2
137.02351	2.3
137.05988	0.8
155.04800	0.4
166.02638	1.3
167.03441	5.1
167.04823	0.7
169.01317	0.6
175.03841	0.5
183.04343	0.4
184.03690	3.0
184.05196	0.8
191.03397	1.4
195.04407	0.4
201.05446	0.8
205.04916	0.5
208.03696	1.0
211.03938	0.4
212.04710	3.0
213.05527	0.6
215.06982	0.6
216.07872	0.9
223.03880	0.8
225.05441	0.4
227.06992	1.9
229.04913	1.8
239.03481	0.4
240.04256	4.7
243.06557	4.7
244.03677	0.9
244.07404	3.0
254.05701	0.7
255.06543	5.1
257.04596	0.9
259.06055	0.4
259.09683	2.0
267.02893	1.0
268.03708	2.6
271.05978	1.3
272.03387	0.6
272.06830	2.2
282.05325	0.7
283.06064	5.0
283.09271	0.6
285.04028	1.0
286.04730	0.5
287.05554	1.2
299.05551	4.6
300.06290	24.0
315.08636	100.0
316.09024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
55.01864	0.2
55.05521	0.2
59.39179	0.1
68.99795	1.0
69.69150	0.4
69.69563	0.5
71.05008	0.2
74.88690	0.2
89.79325	0.1
91.05475	0.4
93.07043	0.2
95.04935	0.3
95.08636	0.2
96.02100	0.5
97.06546	0.3
107.04958	0.2
107.08652	0.2
111.04441	2.1
119.04947	3.1
121.02853	0.2
121.06508	2.5
123.04384	0.2
124.01553	0.5
125.55297	0.2
128.06252	0.2
133.02853	0.6
134.03595	0.5
135.04437	1.1
137.05952	0.6
139.02957	0.2
139.03926	3.3
147.04460	0.3
148.05191	4.4
149.06007	1.3
151.03909	0.7
152.01048	2.6
156.05705	0.2
157.06569	0.2
161.05937	0.3
163.03911	2.2
166.02597	0.4
167.03409	12.9
169.01456	0.2
171.08061	0.4
173.05959	0.4
175.03915	8.3
179.03391	0.4
181.06625	0.2
184.03667	0.4
184.05215	0.4
185.06058	0.3
187.03995	0.2
198.06802	0.4
199.07591	0.8
201.05511	0.8
202.06296	0.2
205.05029	0.2
211.03949	0.3
211.07611	0.3
212.04698	1.2
213.05513	0.7
215.03493	0.2
215.07033	0.3
216.04187	0.2
216.07768	0.6
217.04939	0.3
226.06190	0.8
227.07027	2.1
228.07765	0.2
229.04999	1.2
230.05730	0.8
231.06523	0.6
239.03496	0.2
240.04161	3.0
241.04967	0.3
241.08604	0.4
243.06508	1.7
244.03613	0.3
244.07286	1.4
254.05789	1.4
255.06548	6.9
256.07220	0.7
257.04407	1.4
259.09689	5.0
267.02945	0.3
268.03622	0.3
271.06076	0.5
271.09647	0.4
272.03488	0.3
272.06787	3.1
273.04013	0.4
282.05234	2.1
283.06198	0.8
283.09131	0.2
285.03983	0.3
287.05557	0.5
287.09119	2.4
297.07526	1.0
299.05444	0.3
300.02936	0.4
300.06290	7.4
315.08615	100.0
316.05862	0.3
316.08820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
55.05514	6.1
57.03165	0.6
57.03444	15.9
57.07080	48.0
60.12518	0.5
64.35616	0.5
67.05187	0.9
67.05511	8.9
69.07072	8.7
71.08638	30.9
74.56867	0.4
77.43872	0.5
79.05485	1.0
81.07062	13.2
81.63990	0.5
83.08626	9.2
85.06512	0.5
85.10190	16.1
87.66638	0.5
89.06039	2.6
91.70041	0.5
93.07040	0.7
95.08612	14.8
97.06527	0.9
97.10178	4.9
99.08025	0.5
99.11717	1.1
99.48454	0.5
103.07581	1.9
107.08597	0.7
109.10157	7.6
111.08070	0.6
111.11713	1.0
113.13268	0.7
117.09125	0.9
121.10144	0.6
123.11724	3.5
125.13283	1.1
137.13234	1.5
144.51746	0.5
158.76952	0.5
163.14600	0.5
179.58795	0.5
214.87346	0.5
218.81738	0.5
221.22559	0.5
239.23657	4.1
257.24786	5.2
259.49643	0.5
313.27380	100.0
314.27655	1.2
326.75784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
55.05281	0.5
55.05520	6.6
57.03445	16.9
57.07083	44.9
59.04977	0.5
66.35954	0.4
67.05512	9.6
69.07076	7.2
71.05006	0.9
71.08640	28.3
75.04485	0.5
75.08783	0.5
79.05498	0.5
81.07065	11.8
83.08628	9.3
85.06538	0.7
85.09676	0.9
85.10193	17.1
87.04463	0.5
87.40465	0.4
89.06045	3.2
91.05479	0.7
93.07053	1.1
93.74846	0.6
95.08618	18.2
97.06522	0.7
97.10180	5.9
98.21510	1.4
99.11742	0.9
99.79013	0.5
102.46871	0.4
103.07594	2.1
105.07009	0.6
106.95032	0.4
107.08606	0.9
109.09481	0.8
109.10170	10.0
111.11725	1.0
117.09122	0.6
121.10125	0.9
123.11730	3.6
125.13301	0.6
133.10138	0.4
137.13280	1.3
145.12228	0.6
151.14842	0.5
165.79869	0.5
221.22800	0.6
239.23701	3.9
257.24750	5.2
275.25928	0.6
313.07092	1.7
313.27402	100.0
314.27640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	Bulbophyllanthrone
Peak:m/z	Relative Intensity
53.03949	1.0
65.03960	0.9
67.05516	4.4
68.91730	0.7
69.38276	5.8
74.82222	0.8
76.95747	0.8
79.05485	2.7
81.07072	1.4
93.07066	0.9
95.05002	4.5
97.06500	1.1
99.04469	3.2
107.04969	19.3
109.06555	6.0
121.02901	5.1
121.06492	0.9
123.04446	63.1
125.06001	1.8
133.02855	2.1
134.03702	1.6
137.05998	80.5
139.07553	3.1
147.04428	3.0
149.02356	14.4
153.05493	19.5
153.06757	1.1
163.03909	1.3
165.05502	1.0
167.03421	1.1
168.05724	0.9
178.06258	1.4
178.07707	1.0
184.05222	1.9
185.05989	1.1
191.07050	1.3
193.05042	1.9
199.07704	1.5
212.04738	4.5
213.05493	2.7
216.07784	1.2
227.07048	11.8
240.04245	1.2
241.04953	4.9
251.06891	1.4
255.06526	5.8
256.07401	4.7
257.04523	4.7
259.09702	53.9
269.08087	1.9
271.06033	2.4
272.06808	7.1
286.08414	2.1
287.09171	100.0
288.09271	1.1
300.06320	1.4
315.05035	6.6
315.08658	21.2
315.12402	1.5
315.19708	1.0
316.05731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01871	0.2
55.05515	0.3
57.02077	0.2
64.59023	0.1
67.05504	0.2
68.99794	1.1
71.16382	0.3
79.05480	0.3
81.03420	0.2
81.07043	0.3
82.77050	0.2
84.08181	0.2
89.23430	0.1
91.05475	0.5
92.99750	0.4
93.07030	0.4
95.04977	0.5
95.08611	0.3
96.02117	0.4
97.06522	0.7
104.06207	0.2
105.03397	0.3
105.07017	0.5
107.01286	0.2
107.08604	0.3
108.17448	0.2
109.10174	0.3
111.04447	2.2
119.04956	3.3
119.08615	0.3
121.06515	2.6
123.00782	0.2
123.04418	0.2
124.01560	0.5
131.04933	0.4
131.08568	0.2
132.05728	0.3
133.02872	0.8
134.03615	0.7
135.04445	0.8
137.05963	0.7
139.00319	0.2
139.03908	3.1
141.06934	0.2
143.08600	0.2
145.10062	0.2
147.04408	0.3
148.05206	4.2
149.05957	1.3
149.35797	0.2
151.03903	0.6
152.01054	2.2
153.07045	0.2
156.05707	0.2
159.04369	0.3
159.11659	0.2
161.05965	0.3
163.03931	2.5
167.03413	12.5
168.05682	0.2
169.01337	0.5
171.08073	0.3
172.12784	0.2
174.06758	0.2
175.03915	8.4
177.05460	0.3
179.03426	0.4
183.04431	0.4
184.03651	0.5
184.05125	0.3
185.05968	0.2
187.04016	0.3
187.07452	0.2
189.05469	0.2
191.03473	0.2
195.08023	0.2
198.06744	0.6
199.07545	0.9
201.05487	0.8
202.06268	0.2
211.07539	0.4
212.04729	1.0
213.05406	0.7
215.03372	0.3
215.06978	0.5
216.04202	0.3
216.07828	0.6
223.03987	0.2
223.07596	0.3
225.05470	0.3
226.06287	1.1
227.07054	2.1
228.04175	0.2
228.07874	0.3
229.05008	1.2
230.05695	0.6
231.06561	0.6
239.03378	0.2
240.04207	3.5
240.07831	0.2
241.04958	0.3
241.08794	0.2
243.02887	0.3
243.06514	1.7
244.03633	0.8
244.07324	1.1
251.07048	0.2
254.05728	1.4
255.06540	7.2
256.07324	0.6
257.04468	2.0
257.07346	0.2
257.08170	0.2
259.05917	0.3
259.09689	5.0
267.02893	0.2
268.03647	0.5
269.04492	0.3
269.08044	0.5
271.06067	0.5
271.09665	0.4
272.03180	0.9
272.06812	2.6
273.03937	0.5
282.05243	2.1
283.05981	0.7
283.09637	0.4
285.03937	0.3
287.05490	1.3
287.09113	2.0
297.04492	0.2
297.07547	0.8
299.05429	0.4
300.02734	0.9
300.06250	7.1
301.03485	0.2
315.05154	6.9
315.08606	100.0
316.05710	0.5
316.09048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.78757	0.2
57.62547	0.2
69.40744	1.7
70.50343	0.2
88.32315	0.2
95.01347	0.3
105.03397	0.6
110.71120	0.2
123.00791	0.7
128.06198	0.2
133.02873	0.4
134.03644	2.5
138.03146	0.5
139.05374	0.3
144.05707	0.4
148.05196	0.4
151.03903	0.5
152.01051	0.4
156.05684	0.2
166.02637	1.9
167.03421	5.3
167.04745	0.3
169.01357	0.9
171.04524	0.3
173.05968	0.3
175.03900	0.4
183.04376	0.4
184.03725	3.5
184.05243	0.6
187.03941	0.3
195.04414	0.6
201.05481	1.0
211.03976	0.5
212.04697	2.3
213.05495	0.4
215.07016	0.5
216.04201	0.6
216.07849	1.5
223.03931	0.4
227.07103	1.0
228.04170	0.4
229.04964	1.8
240.04205	4.1
241.04997	0.4
243.06502	5.0
244.03719	2.2
244.07312	3.4
254.05829	0.3
255.06523	4.6
257.04465	1.0
259.06033	1.2
259.09650	1.6
267.03003	1.3
268.03683	3.3
271.06082	1.3
272.03275	0.7
272.06815	1.7
283.06009	6.5
285.04019	0.6
286.04599	0.3
287.05515	2.1
299.05524	4.8
300.06290	32.7
315.05338	4.7
315.08618	100.0
316.09042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.2
55.01860	14.5
55.05505	39.7
57.03440	13.3
57.07063	34.0
67.05511	72.9
69.07054	39.4
70.81841	23.8
71.04986	10.3
71.08607	16.7
77.34048	10.7
79.05496	51.0
81.07058	92.2
83.04973	30.3
83.08600	16.7
85.06532	11.3
91.05482	61.6
93.07050	91.2
94.10711	10.1
95.04968	49.4
95.08605	87.0
97.06517	39.6
97.10128	13.5
99.08115	11.4
104.00996	7.8
105.07036	100.0
107.08584	53.9
109.06474	13.7
109.10172	52.7
114.33424	9.4
117.07010	23.0
119.08586	95.0
121.06514	30.5
121.10115	43.4
123.08018	13.9
123.11720	11.8
124.98174	9.5
129.06998	17.0
131.08542	32.9
133.10132	68.6
135.11690	26.2
137.09619	15.6
139.11205	9.5
142.07745	10.7
143.08553	20.6
145.10127	80.7
147.11714	26.1
149.06007	32.3
149.13255	10.2
154.07770	10.5
155.08588	18.5
156.09335	21.3
157.10170	46.0
158.10861	14.8
159.11685	24.5
160.37971	11.1
161.13316	9.1
165.01808	23.2
169.10121	32.0
171.11652	35.9
173.09610	11.9
173.13246	87.4
175.11215	9.3
175.14850	20.8
179.08571	10.9
181.10107	13.6
183.02931	15.5
183.11671	17.7
185.13248	17.1
187.14778	16.6
195.11760	11.5
197.13237	17.9
199.14854	23.0
209.13252	18.9
211.14766	26.1
244.65541	10.1
251.17984	11.7
267.20892	12.6
277.21661	32.3
295.20154	20.2
295.23019	21.7
313.03656	9.5
313.07086	40.5
313.17776	23.0
313.21732	24.5
313.27353	28.4
318.82819	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	313.2378
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
51.02388	0.2
53.03941	0.5
55.01864	0.5
55.05502	0.7
57.03425	0.3
57.07061	0.7
67.05509	1.5
68.99789	2.3
69.03414	0.3
69.07055	0.7
69.47747	0.7
69.48176	0.8
71.01357	0.3
71.04973	0.2
71.08626	0.3
74.20107	0.2
78.04701	0.2
79.05478	0.8
81.03413	0.6
81.07063	1.1
83.04967	0.4
85.02908	0.2
85.10198	0.5
91.05471	0.9
93.07050	1.0
95.04449	0.2
95.04980	1.1
95.08600	1.3
97.10148	0.3
98.20792	0.4
102.04661	0.4
103.05473	4.4
104.06264	1.4
105.03385	0.5
105.07034	0.6
107.08585	0.8
109.06554	0.3
109.10140	0.8
110.41149	0.2
111.00812	0.6
112.01575	0.3
113.09639	0.4
115.05466	0.7
116.06229	0.5
117.07022	0.4
118.07788	0.3
119.04913	0.3
119.08575	0.3
121.06517	0.3
123.08037	0.2
124.11724	0.2
129.07030	0.8
130.04184	0.3
130.07785	0.7
131.04935	8.7
131.08623	0.4
132.05753	1.8
133.10133	0.4
135.11688	0.3
139.00266	1.1
140.01033	0.6
140.06224	0.4
141.07010	0.7
143.04918	0.2
144.05670	0.9
145.06526	1.1
145.10127	0.3
146.07327	0.3
147.04370	1.0
149.02385	0.2
151.11176	0.3
153.01852	0.4
153.06973	0.3
155.04919	0.4
155.08565	0.5
157.01680	0.2
157.02840	1.0
157.06450	1.2
157.10092	0.3
158.07321	1.1
159.04443	0.5
160.05240	0.2
161.05989	0.5
165.07048	0.7
165.12769	0.6
166.99791	0.4
168.00539	3.5
168.05653	1.3
169.06500	1.0
170.07281	0.4
171.04407	1.5
172.05191	1.4
173.05980	1.0
173.13283	0.3
175.03891	0.5
176.04649	0.2
183.02921	3.9
183.04527	0.4
183.08075	0.5
185.00871	1.0
185.06009	2.5
186.01593	2.1
186.06772	2.5
193.04991	0.4
196.05171	0.5
197.05978	1.7
199.03906	1.2
200.04735	0.9
201.05345	1.0
211.07466	0.3
213.05505	2.4
214.06239	4.0
216.94394	0.2
224.04710	0.7
225.05460	1.2
226.06204	0.2
227.03386	0.4
229.04776	0.3
239.07033	0.8
241.04959	1.4
242.05769	4.4
252.04184	0.8
253.04929	1.3
255.03024	0.4
257.04288	0.7
257.08084	2.0
265.05164	0.4
267.06583	1.0
268.26352	0.4
269.04465	12.9
270.05234	39.4
271.05624	1.2
277.21655	1.4
281.04504	0.5
283.02502	0.5
283.06039	0.3
285.03891	0.3
285.07593	6.6
295.06000	5.2
295.22711	5.5
296.06418	0.2
297.03955	1.2
298.04733	28.0
299.05106	0.8
302.04297	0.5
313.07056	100.0
314.07391	3.1
330.03745	0.5
338.48358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01877	0.4
56.48732	0.2
64.45660	0.2
65.03939	2.5
65.76157	0.2
68.99781	0.3
69.77843	1.1
71.08625	0.2
79.01884	0.2
79.56001	0.2
83.04986	0.7
93.03412	0.5
95.04961	1.5
98.21531	0.2
111.04452	2.1
119.46960	0.2
120.04414	0.2
121.02875	100.0
122.03194	0.3
129.05507	0.3
131.27805	0.2
139.03903	2.0
157.40283	0.2
166.99597	0.2
167.01181	0.2
188.14812	0.2
231.57584	0.2
295.08286	0.3
313.09445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39742	0.2
58.52868	0.2
65.03944	2.3
65.70570	0.2
67.17857	0.2
68.99802	0.3
69.03448	0.2
69.65058	1.2
75.96103	0.2
82.06593	0.9
83.04983	0.5
84.08133	0.5
93.03412	0.3
95.04978	2.0
100.07630	0.2
107.04990	0.3
111.04467	2.0
121.02886	100.0
122.03198	0.3
128.07077	0.3
129.05441	0.4
139.03928	2.0
249.02803	0.3
267.03937	0.3
295.08261	0.5
313.14246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05503	0.2
55.81900	0.3
56.96552	0.2
65.03943	2.8
67.05499	0.6
68.79922	0.2
68.99797	0.3
69.03427	0.4
70.08614	0.9
71.01328	0.3
79.29311	0.2
83.04991	1.3
85.02888	0.4
86.43413	0.2
93.03416	0.6
93.24577	0.2
95.04980	2.9
98.21440	0.2
111.04469	2.7
120.04485	0.4
120.63692	0.2
121.02879	100.0
122.03217	0.3
129.05482	0.6
139.03908	3.8
139.07524	0.2
146.13351	0.2
151.03914	0.5
253.18854	0.2
295.08142	0.8
306.11447	0.2
313.27454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62730	0.3
53.03957	1.6
55.01864	0.8
55.05520	0.7
56.17618	0.3
57.07071	1.2
57.86807	0.3
65.03940	2.2
67.05509	2.3
69.07073	0.9
71.04971	0.4
71.08643	0.7
71.52457	0.5
74.56256	0.3
79.05505	1.5
81.03440	0.5
81.07055	1.3
83.08613	0.7
86.41215	0.3
91.05486	16.9
93.06482	0.6
93.07049	8.9
95.04991	1.1
95.08611	1.0
97.06499	0.4
97.10154	0.5
103.05486	1.7
105.04520	0.3
105.07040	3.2
106.04144	0.4
107.08580	0.7
109.06524	5.6
109.10161	0.7
114.23350	0.3
119.06082	3.6
119.08582	0.4
121.02885	0.4
121.06517	1.2
121.10158	0.5
123.08101	0.8
125.09615	0.7
131.04947	0.5
133.06512	11.4
133.07582	0.9
139.07568	1.4
143.08577	0.5
145.10147	0.3
145.67400	0.3
149.05994	100.0
150.06339	0.5
155.08461	0.3
171.11736	0.4
179.34094	0.3
242.05803	0.7
269.04449	1.4
270.05237	2.5
277.21674	0.6
285.07791	0.4
298.04782	1.7
313.03537	0.3
313.07092	9.9
313.10635	0.5
313.18237	0.3
313.21747	1.0
313.27319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.3
57.03441	0.4
59.43484	0.2
61.02937	0.5
62.64220	0.2
69.03427	1.2
70.06602	0.6
70.73151	0.3
70.73476	0.3
71.04982	0.3
73.02907	0.3
74.53514	0.2
81.03424	0.6
82.06596	0.6
84.08177	0.2
85.02907	1.6
86.09736	1.1
91.05482	0.2
92.02451	0.2
97.02894	1.1
98.97565	1.1
100.07629	0.9
101.00876	0.6
108.05610	0.5
109.02901	0.4
109.05129	0.4
115.03959	0.2
116.98685	0.3
119.01973	0.5
121.02861	0.3
127.03940	0.5
131.01877	0.3
132.08073	0.4
133.05099	5.4
137.05975	0.3
143.01881	0.4
146.08136	0.4
147.04434	0.4
150.07764	100.0
151.08093	0.3
161.02921	0.3
170.06645	0.3
171.06766	0.4
173.03018	0.3
178.06949	0.3
185.02948	0.4
186.03108	0.5
204.07109	0.2
216.98604	0.3
234.99817	0.3
245.05182	0.3
289.04068	0.3
294.05804	0.4
312.06448	1.1
312.12988	18.1
330.06937	0.4
330.15918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01871	1.5
57.03426	4.7
61.02930	10.0
65.24342	1.0
69.03433	17.3
69.07072	14.9
69.76902	6.2
71.04991	2.7
73.02911	5.3
81.03421	6.5
82.06595	1.1
85.02909	100.0
86.09701	1.8
87.04477	2.7
87.08112	19.1
91.03952	6.6
97.02296	2.0
97.02895	28.2
97.06534	1.1
98.21397	2.2
99.04446	4.5
103.03963	1.7
103.70992	1.2
105.09144	3.3
109.02856	8.0
115.03954	1.2
115.07558	2.1
119.69193	1.3
120.04499	1.9
127.03925	24.4
132.59253	1.2
133.08578	6.0
145.04965	49.6
148.88947	1.3
160.20264	1.1
162.05536	2.6
163.06023	16.7
168.06671	1.2
202.07433	1.1
204.10320	2.0
250.10767	3.8
295.13950	1.4
312.16461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	1.6
55.05517	38.7
57.03443	15.5
57.06801	0.7
57.07081	19.1
67.05511	6.7
69.07075	43.2
71.04996	0.6
71.08636	11.5
73.02898	1.0
79.05508	3.6
81.07069	8.8
83.04973	1.7
83.08627	39.4
85.10180	4.8
91.05495	1.0
93.07054	5.5
95.08607	5.6
97.06537	4.3
97.10180	27.5
105.07043	0.7
107.08606	4.0
109.10184	2.5
111.04388	0.4
111.08079	1.9
111.11730	8.5
115.07594	0.4
121.10155	4.4
123.11703	1.3
124.33445	0.4
125.09628	1.5
125.13282	2.3
135.04416	0.6
135.11714	4.4
137.13216	0.7
139.11221	1.0
139.14784	0.5
149.13245	1.9
153.12718	0.6
163.14859	1.2
171.49098	0.4
177.16220	0.5
181.15910	0.6
209.11737	2.1
219.21132	1.3
228.99521	0.5
237.11189	2.4
237.22134	0.7
240.03603	0.4
248.91739	0.4
255.12267	0.8
311.05585	0.6
311.25830	100.0
312.26251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68169	3.3
51.24572	3.3
53.03958	5.1
55.05521	36.7
57.07074	15.2
67.05518	38.2
69.07081	75.3
71.08640	6.6
79.05515	20.6
81.07074	100.0
82.06593	4.2
83.05040	3.4
83.08641	35.1
85.06564	13.9
91.05494	11.5
93.07069	25.0
95.04991	5.4
95.08625	99.8
97.06550	37.1
97.10191	28.0
99.08121	11.9
100.11286	6.7
105.07085	8.4
107.08614	23.4
109.10177	56.1
111.08096	4.0
111.11725	20.6
119.08638	5.7
121.02863	4.2
121.10176	13.4
123.11700	25.7
125.13294	5.5
129.07039	4.3
131.08708	3.6
133.10130	4.1
135.11751	12.6
137.06035	7.9
137.13278	13.7
145.10147	5.6
149.13304	23.0
151.14801	18.7
159.11850	4.4
163.14847	6.1
165.01875	7.6
165.16475	9.2
168.80661	3.7
173.59271	3.6
174.83057	4.2
175.14987	4.2
179.17992	6.0
182.07217	4.3
185.13139	4.8
191.08705	5.0
215.10736	8.6
219.08150	4.0
225.09206	7.5
237.11095	3.6
251.10712	6.9
275.27405	13.1
279.10181	5.2
283.06070	36.1
293.28418	12.3
311.05597	33.7
311.09125	6.4
311.12759	23.6
311.16443	31.3
311.19641	6.0
311.23865	4.9
311.26553	6.0
311.29553	16.6
312.06244	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	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01871	4.5
55.05314	2.8
55.05519	36.5
56.87581	3.1
57.03436	11.1
57.07080	21.5
67.05511	43.5
69.03446	3.4
69.06735	4.2
69.07076	76.7
69.47043	22.7
71.05003	5.0
71.08638	7.1
79.05486	23.4
81.03433	3.8
81.07066	44.8
83.04977	5.5
83.08625	30.1
85.10158	4.1
91.05488	46.8
91.67996	3.1
93.07049	100.0
95.04977	68.8
95.08614	89.9
97.06535	32.5
97.10183	10.7
98.20717	3.4
105.07040	72.2
107.04948	4.0
107.08591	56.9
109.06525	13.2
109.10162	45.0
111.04387	4.7
111.11729	5.8
115.05466	4.0
117.07027	19.2
119.07726	3.6
119.08582	74.2
121.06521	19.7
121.10155	58.0
123.08095	22.0
123.11722	24.0
128.06326	3.6
129.07040	5.4
130.07805	3.8
131.08586	23.1
133.10126	44.9
134.59608	3.4
135.04398	14.3
135.08051	12.8
135.11737	18.7
137.09677	4.7
137.13255	5.2
142.07774	10.3
143.08563	17.0
145.10117	37.3
147.11707	25.5
149.09540	4.3
149.13286	7.9
150.78458	3.0
155.08571	5.5
156.09395	4.6
157.10133	27.1
159.08076	5.0
159.11702	50.6
161.09633	18.6
161.13275	11.8
163.11125	3.6
163.14845	3.7
169.10149	10.9
171.11691	17.5
172.12390	3.9
173.13249	13.7
175.14835	13.0
177.12723	3.1
177.16394	24.8
181.10204	4.3
183.11681	10.6
185.13284	10.2
187.11238	5.2
187.14885	5.6
189.12680	3.8
189.16429	17.0
191.10672	6.5
194.10829	4.0
195.11708	4.4
197.13248	11.0
199.14838	5.6
201.16403	12.0
203.17978	4.5
209.11656	23.4
209.13322	6.4
211.14899	5.2
213.16402	6.5
215.18011	9.1
219.17247	3.2
223.14774	5.6
237.11156	22.9
237.16551	4.2
251.51979	3.4
255.12305	8.5
273.13135	3.0
293.22757	9.5
311.16333	3.3
311.23547	24.1
311.26105	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95092	0.5
53.03936	1.2
53.27125	0.5
54.94687	0.5
55.01858	1.6
55.05512	37.0
55.53573	0.5
57.03439	14.8
57.06795	1.0
57.07076	20.1
67.05509	6.4
69.07069	42.9
71.04972	0.7
71.08636	11.6
73.02927	1.6
79.05497	4.2
81.07055	8.5
83.04973	1.2
83.08620	39.6
85.10184	5.7
88.37010	0.5
88.52162	0.5
91.05489	1.2
93.07043	5.5
95.08615	8.4
96.33432	0.6
97.06523	3.4
97.10168	26.2
98.21523	1.6
105.07024	0.8
107.08595	4.6
109.10176	3.2
111.04419	1.4
111.08086	1.5
111.11726	8.7
113.09631	0.6
121.10143	5.5
123.11723	1.7
125.06010	0.8
125.09616	1.5
125.13258	1.8
135.04420	3.3
135.11708	4.1
137.13324	0.7
139.11256	0.7
149.13254	2.6
153.05458	1.2
153.12651	0.8
161.09604	1.7
163.14864	0.9
169.51547	0.5
181.12141	0.6
191.10707	0.8
191.30125	0.6
209.11694	8.1
209.13387	0.7
219.19180	0.6
219.21156	1.9
221.63870	0.7
229.00952	0.7
237.11172	8.2
255.12288	2.1
255.92453	0.6
293.17664	1.0
293.21158	0.9
311.05371	0.8
311.25812	100.0
312.26138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05515	9.3
57.07089	2.1
67.05518	5.7
69.03421	0.8
69.07071	4.4
69.29581	0.5
69.85406	2.2
71.04992	0.6
71.08637	7.2
72.94513	0.4
79.05505	4.4
81.03433	1.0
81.07063	5.4
83.04985	1.8
83.08625	6.0
85.06569	0.6
91.05497	2.4
91.43932	0.4
93.07049	3.5
95.04974	2.6
95.08613	3.0
97.06529	0.8
97.10187	7.9
99.08103	5.6
105.07021	1.3
107.04961	2.1
107.08587	3.4
107.63669	0.4
108.05727	0.6
109.06519	1.8
109.10158	1.0
111.04436	1.6
111.08086	1.0
117.07041	0.8
119.08590	0.9
121.06519	4.3
121.10113	1.2
123.08116	0.7
125.09644	5.7
131.08553	0.7
133.06537	0.4
133.10173	0.5
135.08069	1.5
135.11671	0.8
145.10196	0.7
149.09669	0.8
151.11203	1.1
153.05463	0.8
153.09068	0.6
155.54720	0.4
159.11717	0.7
163.11206	0.9
164.11993	1.0
165.12807	0.7
177.12816	1.9
189.11241	2.3
191.10635	1.0
193.12151	0.7
209.11774	5.7
226.48842	0.4
226.90030	0.4
237.11205	4.2
237.14856	0.6
247.20494	0.9
255.12311	1.1
257.18976	1.0
265.21667	0.7
275.20065	5.5
293.21136	100.0
294.21454	1.0
311.18619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03938	3.9
53.58068	1.5
55.01880	18.0
55.05278	2.1
55.05517	29.6
57.03431	3.9
57.07080	12.4
65.03939	2.1
67.05511	57.9
69.03424	4.5
69.07076	21.8
69.44041	2.7
69.44453	9.9
71.04985	7.7
71.08627	3.6
79.05499	29.3
81.03419	7.6
81.07067	56.9
83.04972	11.4
83.08633	16.2
85.02907	2.7
85.06542	8.6
85.10181	4.4
91.05488	32.5
93.07053	34.6
95.04976	14.6
95.08619	35.0
95.18958	1.7
97.02918	4.3
97.06526	7.7
97.10181	5.7
99.04489	3.5
99.08090	4.5
105.07042	36.7
107.04964	8.1
107.08604	35.4
109.06573	9.0
109.10165	44.9
111.04462	15.7
111.08099	4.6
113.06060	2.1
113.09640	3.3
117.07019	5.9
119.08603	13.7
121.06523	6.5
121.10132	11.7
123.08074	6.9
123.11726	8.8
125.05991	4.1
125.09651	10.4
129.07030	3.3
131.08574	9.7
133.10147	48.5
135.04431	100.0
135.08089	3.2
135.11673	8.5
137.09584	10.8
139.11188	1.9
141.09203	2.5
143.08580	2.6
145.10133	8.4
146.07312	1.8
147.11700	4.7
149.09595	9.6
149.13286	3.3
151.11192	33.5
153.05470	4.9
153.12708	2.8
159.08165	1.8
159.11713	6.1
161.09634	41.1
161.13289	3.4
163.11244	11.9
163.14838	3.0
165.09146	4.3
165.12798	2.5
167.10661	2.8
169.12236	9.5
173.13300	3.7
177.12756	4.0
179.10736	1.9
181.12251	4.6
183.11682	3.1
187.11209	2.5
189.12759	1.8
193.12207	1.9
207.13722	2.1
209.11772	19.7
219.13594	2.8
223.13359	3.3
225.14755	1.6
229.19522	5.4
237.11278	19.1
247.20601	13.2
255.12318	4.5
257.19034	6.1
265.21698	4.2
275.20081	60.5
293.21130	71.4
311.16476	4.9
311.25854	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.88397	0.3
53.03935	0.7
53.45079	0.3
55.01862	1.2
55.05275	0.5
55.05513	6.4
57.03422	0.5
57.07078	2.3
59.28548	0.4
64.56744	0.4
65.03931	0.5
67.05188	0.4
67.05510	6.7
69.03427	0.5
69.07071	2.6
69.91298	1.3
71.04973	0.4
71.08637	8.9
79.05494	5.2
81.03405	0.6
81.07061	6.7
83.04969	1.0
83.08619	3.4
85.06541	0.8
91.05486	4.0
93.07038	3.7
95.04981	3.0
95.08607	4.5
97.06510	0.9
97.10166	4.0
98.21437	0.4
99.08100	5.2
105.07041	4.0
107.04960	1.9
107.08592	3.9
108.05745	1.0
109.02898	0.4
109.06503	1.3
109.10173	1.8
109.13605	0.4
111.04456	1.0
111.08063	0.4
117.07003	1.0
119.08569	1.3
121.06514	4.4
121.10156	1.4
125.05906	0.4
125.09637	2.9
131.08572	1.9
133.10104	1.3
135.08049	1.3
135.11665	0.8
139.11215	0.5
145.10106	1.2
147.11685	1.1
149.04788	0.7
149.05989	12.0
149.09633	0.6
151.11183	1.3
153.05447	1.0
157.10130	0.4
159.11708	0.6
161.09644	0.5
163.11198	0.5
164.11934	0.4
165.12756	3.2
177.12782	1.4
181.12239	0.5
189.11244	0.9
191.10681	0.7
209.11729	5.8
237.11256	5.4
255.12152	1.0
265.21747	0.6
275.20117	5.3
293.21118	100.0
294.21475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03949	5.2
55.01880	86.3
55.05267	3.1
55.05517	39.2
57.03436	4.8
57.07080	13.6
66.60254	2.1
66.76818	2.1
67.05178	3.5
67.05515	48.8
67.05876	2.5
69.03438	5.4
69.07080	16.8
71.01361	2.2
71.04997	6.6
71.08634	4.9
79.05505	27.9
79.98713	1.9
81.03439	12.2
81.07072	38.5
82.81358	2.0
83.04988	11.6
83.08619	9.7
85.06561	2.9
91.05495	25.2
93.07058	28.3
95.04977	13.5
95.08060	3.2
95.08626	39.1
97.06562	10.5
97.10206	13.5
99.08118	5.6
105.07055	9.8
105.11008	2.1
107.04961	18.5
107.08610	15.4
109.06531	8.8
109.10172	15.8
111.04460	6.8
111.08049	4.2
117.07037	7.1
118.42618	1.9
119.08600	14.6
121.06542	4.8
121.10150	13.7
123.08108	6.0
123.11745	2.4
125.05953	2.2
125.09649	100.0
131.08568	9.9
133.10152	8.0
135.04424	3.0
135.08057	12.1
135.11684	5.5
135.77364	1.9
137.06087	2.0
137.09641	17.0
139.11136	2.3
141.07027	2.5
141.09137	2.9
145.06528	2.1
145.10181	6.9
147.08015	3.3
149.09662	6.2
149.13280	3.1
151.11206	20.1
153.05513	5.7
159.11736	7.3
161.09686	4.0
163.11230	4.8
165.12810	3.2
167.10713	4.2
173.13292	3.1
177.12749	17.7
181.12234	12.2
183.11827	2.0
183.13835	2.1
187.11218	2.6
191.10747	4.7
191.14331	7.8
195.13812	7.8
209.11755	29.9
228.94896	2.2
229.19629	5.9
237.11311	25.4
247.20636	6.5
255.12447	4.6
257.19025	12.4
265.21802	3.1
275.20111	38.4
283.06161	4.3
293.17880	3.7
293.21161	45.2
311.05511	3.7
311.17972	3.2
311.22311	2.9
311.25568	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.06366	1.5
53.03950	2.1
54.77803	1.5
55.01865	7.1
55.05504	9.5
57.03441	1.5
57.07077	29.0
57.37310	1.3
57.39084	1.4
66.23981	1.3
67.05506	21.1
69.03431	2.5
69.07073	7.7
69.73431	7.7
71.04980	3.7
71.08627	1.9
79.05495	12.9
80.05839	2.4
81.03410	6.4
81.07063	19.2
81.10585	1.4
83.04980	10.4
83.08623	6.3
85.02877	1.5
85.06573	1.8
89.26486	1.3
91.05482	16.7
93.07040	15.2
95.05013	8.0
95.08608	17.9
97.06523	6.7
97.10181	1.7
99.08061	1.8
105.07042	14.1
106.60822	1.3
107.04946	6.2
107.08584	10.7
109.02873	3.9
109.06497	3.1
109.10172	11.0
111.04436	20.8
111.08075	3.9
117.07012	4.0
119.08582	10.9
121.06493	3.1
121.10138	9.4
123.08072	4.1
123.11678	2.2
125.05972	7.0
125.09638	2.1
129.06993	3.2
131.08542	6.7
133.10143	14.5
135.04440	2.7
135.08104	1.8
135.11673	3.5
137.09616	3.7
139.11157	3.8
141.06989	1.6
143.08580	1.9
145.10118	7.0
147.11682	5.1
149.02348	1.9
149.09615	6.3
149.13240	1.3
153.05469	22.0
153.12706	1.6
155.08485	1.4
155.10667	3.3
157.10120	1.7
159.11739	6.1
161.09627	1.7
161.13260	2.3
163.11195	9.0
169.10115	1.8
171.11670	3.0
173.11752	7.4
173.13121	2.2
175.07721	1.6
179.14276	1.6
181.04941	5.3
181.12230	7.6
183.11801	1.8
185.13332	1.6
187.11159	2.5
191.10622	11.3
193.04970	2.7
193.53369	1.5
197.13234	2.3
205.12321	2.0
209.11728	100.0
221.15419	3.9
223.13205	3.5
237.11218	91.1
239.18074	3.1
255.12274	26.5
257.19058	4.1
275.20081	21.6
293.17480	10.2
293.21094	18.5
311.05466	3.5
311.18527	8.0
311.24225	7.7
311.27692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	3.3
55.05512	19.7
57.07079	33.6
66.72878	4.4
66.74373	3.9
67.05503	45.6
69.07053	12.7
69.55914	25.2
71.04974	9.1
79.05502	21.3
80.64712	3.9
81.07067	33.8
83.04971	5.9
83.08601	10.6
91.05483	51.3
93.07053	25.8
95.08617	25.7
97.06491	6.5
105.07039	44.8
107.04954	7.2
107.08588	15.0
109.02848	5.5
109.10178	18.7
111.04425	13.6
111.08040	4.8
117.06996	9.1
119.08586	22.1
121.10154	24.4
122.10397	3.6
125.05946	7.0
131.08580	30.0
133.10120	39.2
135.04396	9.4
137.09557	4.8
139.11203	7.9
143.08540	5.5
145.10098	14.2
147.11629	6.6
149.09651	10.7
153.05498	13.3
155.10703	9.1
157.10164	5.9
159.11699	11.1
163.11169	8.8
171.11688	8.0
173.11723	24.0
173.13200	8.9
181.04877	4.9
181.12257	9.1
183.11760	6.0
187.66238	4.2
191.10661	12.6
197.13254	6.2
209.11743	100.0
231.94823	4.0
237.11215	72.1
239.17924	14.6
247.01584	3.6
255.12227	18.1
257.19046	10.0
275.20047	44.2
293.17667	7.6
293.21011	11.9
311.05441	14.9
311.18735	7.9
311.24326	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	311.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43932	0.8
53.03944	3.5
55.01876	6.4
55.05513	8.2
57.03428	1.2
57.07080	28.6
57.88897	1.0
65.03949	1.2
65.59117	0.9
67.05180	1.5
67.05512	19.5
68.05832	1.1
69.03419	1.4
69.07075	8.7
69.82600	4.0
69.83009	2.0
71.01340	1.5
71.04980	4.3
79.05498	10.4
80.87035	1.1
81.03429	6.7
81.07058	18.3
83.04980	10.0
83.08636	5.1
85.02911	2.6
85.06509	0.9
85.41496	1.0
91.05480	12.7
93.07043	14.1
95.04984	10.9
95.08061	1.5
95.08617	16.7
97.06521	5.0
97.10161	1.4
99.04475	1.1
105.07040	13.4
105.92616	1.0
107.04945	7.0
107.08603	8.2
109.02871	3.1
109.06508	3.6
109.10155	9.9
111.04456	23.1
111.08070	3.2
113.98540	1.0
117.07043	3.5
119.08585	8.7
121.06550	2.1
121.10168	7.0
123.08081	4.0
123.11668	2.0
125.06017	6.7
125.09641	1.3
128.35320	1.2
129.06995	2.7
131.08549	6.2
133.06602	1.0
133.10143	12.0
134.01044	1.1
135.04460	2.8
135.08037	1.1
135.11693	4.5
137.09636	3.2
139.11186	3.8
141.09154	1.4
145.06535	1.0
145.10143	5.2
147.11681	3.7
149.02364	1.6
149.09615	6.5
149.13248	1.3
151.11240	1.8
153.05481	15.7
155.10704	7.1
157.10100	1.5
159.11661	5.4
161.09612	1.3
161.13268	1.4
163.11191	7.2
165.09010	1.1
169.10081	1.9
171.11707	1.5
173.11757	3.8
173.13239	2.4
175.07542	1.3
177.12782	1.3
181.05014	5.5
181.12297	7.3
187.11240	2.1
187.14909	1.5
191.10696	11.1
193.05034	1.7
193.08656	1.3
195.13847	1.7
196.62489	1.6
199.14832	1.4
209.11748	100.0
210.12097	1.9
219.10098	1.2
221.15399	3.1
223.13312	4.5
229.25623	1.2
237.11232	82.3
239.17928	2.2
241.14397	1.8
255.12296	23.1
257.19055	3.5
275.20096	19.9
293.17484	9.4
293.21130	21.3
311.05548	1.9
311.08908	1.4
311.18674	8.0
311.24518	4.5
311.27655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01868	2.3
55.05513	8.6
57.03440	1.1
57.07079	3.9
59.19411	0.6
61.42125	0.6
63.61443	0.7
66.58930	0.6
67.05506	7.9
69.07076	2.4
69.84697	3.4
71.08634	8.6
79.05500	6.2
81.03421	0.7
81.07059	7.9
83.04999	1.5
83.08646	3.6
91.05505	3.3
93.07033	4.8
95.05000	2.9
95.08624	4.6
97.06525	1.0
97.10178	3.8
99.08098	4.6
105.07043	2.7
107.04957	2.6
107.08597	4.7
108.05766	1.1
109.06550	1.1
109.10172	2.8
111.04469	1.9
111.08093	1.2
117.07041	1.3
119.08589	1.9
121.06509	2.8
121.10159	1.7
123.08084	0.7
123.11710	0.8
125.06000	0.9
125.09640	3.0
127.58344	0.7
131.08565	1.4
133.10155	1.8
135.08046	1.8
135.11684	1.2
145.10103	1.2
147.11690	1.3
149.09631	1.3
151.11206	1.1
153.05473	2.2
155.82759	0.6
159.11693	0.8
163.11232	1.1
165.12737	3.2
177.12825	1.2
181.12325	1.0
189.11221	2.1
191.10609	0.7
195.13899	0.7
209.11740	8.9
223.13351	0.6
237.11256	6.5
247.20702	0.7
255.12299	1.9
265.21619	1.3
275.20087	7.4
293.21115	100.0
294.21558	1.2
332.11023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
54.35478	0.2
55.05524	0.4
61.02927	0.3
65.03939	0.4
67.04249	0.5
67.05511	0.8
68.88030	0.2
69.03440	0.4
70.23245	0.2
70.63074	0.6
79.05503	0.3
81.07089	0.2
82.06586	2.7
83.05008	0.2
84.08141	0.8
85.02907	0.3
85.06546	0.3
86.06087	0.2
88.30810	0.2
93.07124	0.2
95.04933	0.3
97.19905	0.2
107.04951	0.7
109.06533	0.5
110.06053	100.0
111.04485	0.3
112.07619	2.9
113.86101	0.2
117.07060	0.2
122.06020	0.6
124.07606	1.0
135.04466	0.3
136.07585	0.8
140.07079	28.7
142.08641	2.8
152.06996	0.5
154.08630	2.8
156.06569	1.5
156.10272	0.4
162.09196	0.6
165.85268	0.2
170.86548	0.3
172.09723	2.8
177.05496	0.4
180.10217	0.5
196.19388	0.2
203.07092	0.4
208.09686	1.8
230.11728	0.6
248.12909	0.8
251.13899	0.9
257.12851	0.5
258.11368	0.9
275.13907	3.4
276.12234	1.3
293.14978	12.4
311.16028	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	311.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
59.83153	0.2
61.02944	0.2
65.03947	0.4
67.04251	0.7
67.05511	0.9
69.03435	0.3
69.07064	0.3
69.96232	0.7
70.06615	0.5
79.05505	0.3
80.05005	0.3
82.06599	2.9
84.08157	0.8
85.02894	0.2
85.06544	0.4
86.06175	0.2
88.09740	0.2
91.05503	0.5
94.06596	0.2
95.04990	0.3
96.04555	0.2
97.02836	0.2
107.04992	1.2
108.08120	0.4
109.06539	0.7
110.06061	100.0
111.06403	0.3
112.07616	3.2
122.06059	0.4
124.07609	1.0
127.03965	0.3
131.15419	0.2
135.04483	0.6
136.07619	0.7
137.06006	0.4
138.05464	0.2
140.07086	29.7
142.08652	3.2
146.08162	0.2
152.07095	0.5
154.08647	2.5
156.06566	1.3
156.10216	0.6
162.09193	0.5
164.07047	0.2
172.09726	2.8
177.05429	0.3
180.10202	0.6
208.09665	2.0
230.11768	0.5
235.02504	0.3
248.12817	0.7
251.13922	0.9
257.12943	0.6
258.11224	0.6
275.13889	3.5
276.12250	0.7
283.06171	0.3
293.15005	13.3
311.16058	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82526	0.5
69.84272	1.2
69.84660	1.3
73.97619	0.5
98.20802	0.7
101.00903	4.2
102.00981	0.8
103.00631	1.1
104.64130	0.5
118.50806	0.5
119.01934	4.4
120.02051	1.0
121.01678	2.4
134.99910	0.7
137.02905	0.7
139.02785	0.5
140.98872	0.7
158.99902	1.0
160.99644	1.0
161.99779	2.1
177.00949	6.3
179.00713	4.3
180.00841	5.3
181.12628	0.5
184.99670	0.8
185.99910	1.3
189.08899	0.6
201.01015	0.7
203.00821	1.1
204.00859	2.6
218.01225	6.3
219.02017	5.5
219.03802	0.9
220.02107	0.7
220.03999	2.1
221.01804	6.9
222.01923	12.5
228.00923	1.7
233.03630	2.3
245.01753	3.7
245.99461	1.0
246.01924	11.2
250.00233	0.7
259.00046	0.5
261.03046	0.6
263.02887	26.9
264.00470	18.9
264.03073	100.0
265.02908	1.2
282.01553	4.3
286.04471	0.8
287.01926	3.0
287.04892	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	310.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78248	1.0
55.05511	1.9
56.96573	3.4
57.03447	2.4
57.07078	1.2
61.02920	1.8
67.05492	3.3
69.03436	6.1
69.07085	9.8
70.06605	10.0
71.05008	2.7
71.50480	1.0
72.08201	2.6
73.02941	1.4
79.05521	1.7
81.03449	1.8
82.06593	1.5
83.04989	2.4
84.04530	2.1
84.08148	4.2
85.02933	11.2
85.06557	82.6
86.09742	1.7
87.04476	1.8
91.05492	2.7
93.07079	1.6
95.04990	2.4
96.64892	1.1
97.02902	4.9
98.06074	1.7
98.97581	6.7
102.24131	1.0
103.05495	1.3
105.07130	1.3
107.04967	2.2
109.02888	2.2
110.06071	2.1
113.06026	85.9
116.07095	1.4
116.98625	2.4
117.03377	1.9
119.04955	1.3
120.08147	6.4
121.02885	2.2
124.93777	1.0
126.05570	1.8
127.03909	5.9
129.09209	1.2
131.07066	100.0
132.08122	3.1
135.04420	3.0
136.06194	2.6
136.07587	3.1
137.06058	1.1
145.02843	2.1
145.05034	1.6
147.04440	3.4
149.12010	1.1
150.05479	1.4
161.07045	1.4
163.03925	16.8
166.08730	3.3
193.18015	1.0
195.11172	1.2
201.00795	1.9
212.06233	3.0
212.56401	6.1
213.12354	3.3
214.06090	1.2
218.07188	4.9
219.01805	2.1
229.05402	1.5
237.02789	1.5
257.10077	1.5
264.12149	3.3
275.11060	1.5
292.07147	1.8
292.11923	3.9
310.08264	7.2
310.12750	9.8
310.17746	2.7
311.07184	2.5
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	Viteagnusin D
Peak:m/z	Relative Intensity
53.03942	1.8
55.05273	1.9
55.05516	25.1
57.03428	3.7
57.06832	1.7
57.07080	21.1
59.05014	2.1
63.88565	1.3
64.60954	1.3
65.03924	1.6
67.05509	41.1
69.03421	1.7
69.07074	50.4
70.03429	3.1
70.03838	3.9
71.04976	5.6
71.08637	13.0
79.05498	25.3
81.03416	3.2
81.07062	100.0
83.04961	6.2
83.08626	24.5
85.06533	6.5
85.10182	4.7
91.05494	15.2
93.06488	2.4
93.07053	41.0
95.04959	6.0
95.08614	93.4
97.06536	6.9
97.10179	18.6
98.21482	2.7
99.08089	3.5
102.05117	1.3
105.07026	23.8
107.08599	31.1
109.06503	5.5
109.10166	44.9
111.08084	7.1
111.11758	9.1
119.04956	3.9
119.08586	21.0
121.10157	28.1
123.08099	8.2
123.11717	27.6
125.09612	4.0
125.13256	3.7
131.08522	2.9
131.82454	1.5
133.10144	18.3
135.11711	21.3
137.09595	9.7
137.13286	12.5
139.11198	4.5
141.09065	2.0
145.10117	2.2
147.04442	13.8
147.11702	21.0
149.13297	18.6
151.11240	3.4
151.14827	5.9
155.10706	2.1
161.13269	12.9
163.14793	10.6
165.12761	6.0
165.16420	3.1
173.13229	1.4
175.14825	7.6
177.05606	1.7
177.16397	4.8
179.17899	4.2
189.11229	2.2
189.16402	7.4
191.17979	4.9
203.17941	7.1
217.19498	6.3
233.22729	1.8
247.24171	1.8
254.06366	1.7
272.82974	1.4
273.18536	2.0
273.22797	1.9
273.25769	32.4
291.19635	4.6
291.26843	22.7
309.07590	2.6
309.11151	2.4
309.20770	2.9
309.27859	25.6
328.01105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03954	2.2
55.01866	2.0
55.05516	16.8
56.11125	1.4
57.03429	5.3
57.07083	8.9
59.05011	11.0
61.02930	2.4
66.76266	1.2
67.05509	38.0
69.03441	7.6
69.07076	31.3
69.65951	8.6
71.04996	3.6
71.08622	3.7
73.06559	3.9
77.03958	1.4
79.05503	17.2
81.03427	4.6
81.07063	100.0
83.08620	16.3
84.88459	1.3
85.02911	40.3
85.06087	2.6
85.06552	33.1
85.10183	1.9
91.05476	12.5
93.07051	32.1
95.08615	86.4
97.02892	3.8
97.06520	3.1
97.10174	10.1
99.04501	1.6
99.08100	26.4
105.07018	8.5
107.07885	2.1
107.08604	40.1
109.02890	6.6
109.10165	59.2
111.08099	12.1
111.11743	7.5
113.09655	8.8
117.05497	2.7
119.04953	20.9
119.08593	10.1
121.10152	25.3
123.11721	37.7
125.09624	4.3
127.03924	3.1
127.11214	2.8
133.10133	5.0
134.39014	1.3
135.11702	21.2
137.13254	13.6
139.11169	4.1
145.02769	1.4
147.04420	94.4
147.11729	7.3
149.13258	36.4
151.14844	4.6
153.12784	3.6
161.13254	5.1
163.14856	22.0
165.05473	6.7
165.16452	2.1
167.14342	4.2
175.11275	1.3
175.14832	4.4
177.05496	4.4
177.16422	12.7
181.15874	2.1
189.16319	3.5
191.17941	6.5
195.17450	2.5
203.17982	5.8
209.19113	2.7
217.19479	8.5
220.45290	1.5
221.18971	1.5
234.06537	1.9
235.20517	2.8
247.24237	4.7
265.25266	5.0
273.25812	14.8
279.27020	1.4
291.08624	3.4
291.26849	34.2
309.03976	2.2
309.10007	5.2
309.17004	1.6
309.27887	40.7
310.04440	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
53.09839	1.7
54.39858	1.6
55.01871	2.8
55.05521	16.6
57.03428	5.4
57.07065	3.2
59.25288	1.5
60.99445	1.4
65.03930	3.1
66.26271	1.4
67.05183	2.3
67.05512	32.3
69.03415	2.6
69.07079	17.4
70.00613	6.0
71.04963	3.5
71.08620	2.5
75.48863	1.3
79.05074	2.1
79.05502	31.2
81.03423	5.2
81.07069	38.8
83.04998	4.3
83.08613	6.4
91.05489	42.9
93.07054	84.5
95.04979	46.0
95.08071	2.4
95.08620	37.9
97.06544	20.2
97.10158	1.6
103.05476	2.8
105.04533	1.9
105.07043	73.7
107.04966	2.8
107.08602	40.5
109.06522	13.3
109.10186	22.9
115.05452	4.8
116.06230	1.9
117.07051	18.1
119.08595	58.7
121.06515	11.8
121.10159	100.0
123.08048	9.4
123.11694	7.0
128.06212	7.0
129.07007	10.4
130.07796	6.6
130.28363	1.8
131.08588	33.2
133.06496	3.6
133.10149	37.9
135.08073	4.9
135.11722	10.5
141.06972	6.4
142.07787	18.9
143.08577	27.5
144.09337	7.4
145.06514	3.3
145.10144	50.3
147.08054	3.1
147.11710	13.4
149.09648	3.8
149.13248	3.2
154.07776	3.8
155.08559	7.6
156.09398	10.1
157.08952	3.1
157.10150	35.8
158.10950	5.3
159.08090	3.6
159.11708	34.5
161.09604	10.5
161.13243	6.6
163.11205	3.2
164.06070	1.6
167.08557	3.1
168.09341	3.9
169.07904	1.7
169.10132	15.9
170.10910	5.7
171.11713	18.2
173.09648	4.2
173.13306	18.0
175.11217	2.6
175.13423	1.7
175.14775	9.3
179.08583	3.6
181.10135	5.6
182.11087	3.4
183.11690	14.8
185.13217	8.7
187.11147	9.8
187.14850	20.6
189.12730	4.2
193.10117	3.7
194.11047	1.7
195.11693	5.5
196.12402	3.1
197.13255	9.2
199.14868	11.4
200.15593	2.4
201.12747	2.4
201.16428	2.6
207.11766	2.6
209.13368	8.2
211.14807	6.9
213.12872	2.8
213.16357	4.2
215.14296	5.0
221.13318	4.2
222.14134	1.9
223.14828	4.1
225.16415	4.6
235.14830	4.5
237.16443	2.1
239.17953	3.7
253.15846	6.0
253.19495	3.5
265.19565	3.8
277.21594	2.6
281.22607	5.4
291.21069	7.7
309.14639	2.3
309.22141	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.9
55.01873	2.3
55.05315	1.3
55.05513	14.3
56.39244	1.2
57.03429	3.8
57.07066	3.6
59.04988	1.8
61.91069	1.2
67.05511	42.9
69.07082	16.6
71.04975	2.1
71.08639	52.1
79.05076	2.4
79.05499	36.2
81.03430	6.2
81.06596	3.0
81.07062	45.8
83.04994	14.1
83.08630	9.8
85.06525	3.3
91.05489	21.5
93.06493	2.8
93.07055	49.3
95.04967	7.7
95.08617	29.0
97.06527	7.9
97.10168	3.7
99.08106	37.5
105.07042	17.6
107.04953	4.8
107.08604	31.5
109.06542	3.3
109.10146	9.9
111.08076	3.7
113.09632	2.6
117.07005	2.9
119.08594	15.4
121.10149	28.8
123.08064	1.7
123.11764	1.5
129.06973	3.9
131.08566	3.5
133.06488	1.6
133.10147	11.7
135.11700	32.9
137.09613	4.7
141.09088	3.3
143.08565	1.5
145.10120	5.6
147.11691	4.8
149.13271	11.8
151.11191	14.9
153.12730	2.9
157.10173	2.2
159.11658	4.2
161.13255	10.2
163.11125	6.7
163.14812	2.1
165.12798	2.6
167.10612	1.7
171.11659	2.1
175.14839	1.5
177.12718	4.0
179.14320	100.0
189.12744	3.4
195.13870	1.9
199.14838	2.2
207.13937	1.9
221.15395	3.3
235.16946	5.2
256.64642	1.5
259.20612	5.3
277.21649	59.4
309.24158	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03948	7.5
55.01877	22.6
55.05277	2.0
55.05515	33.4
57.03433	7.0
57.07071	3.2
59.04993	1.7
59.87008	1.6
60.36147	1.2
65.03932	2.4
67.05507	81.7
68.07285	1.4
69.03424	5.8
69.07069	24.5
69.37952	11.7
71.04988	9.4
77.03894	1.5
79.05495	47.6
81.03413	11.8
81.07059	90.5
83.01340	2.0
83.04987	17.7
83.08617	11.5
85.02418	1.5
85.02878	3.3
85.06537	10.0
91.05486	52.7
93.07050	54.4
95.04970	13.3
95.08608	55.1
95.64409	1.5
97.02878	2.1
97.06541	8.3
97.10150	5.3
99.04445	5.0
99.08109	2.6
105.07034	50.3
107.04963	11.6
107.07878	2.8
107.08601	52.7
109.06506	13.6
109.10160	77.0
111.04434	4.8
111.08070	6.4
113.06009	2.6
115.05406	1.8
117.07028	9.6
119.06092	1.6
119.08586	19.9
121.06515	8.9
121.10147	12.5
123.04475	4.0
123.08073	17.4
123.08870	2.3
123.11723	12.1
125.05967	3.4
125.09608	6.1
127.07576	3.8
128.06213	2.0
129.06982	6.2
131.08571	13.6
133.06483	9.2
133.10133	100.0
135.08073	10.0
135.11676	8.7
137.05952	2.8
137.09610	6.7
139.07542	6.0
143.08546	8.9
145.06409	1.4
145.10172	9.9
147.08060	10.5
147.11708	7.8
149.09624	7.8
151.09972	2.9
151.11185	58.5
153.09119	1.6
157.10117	5.7
159.11729	5.0
161.09595	13.3
161.13264	4.4
163.11182	3.9
165.09119	3.9
165.12737	2.5
167.10658	1.7
169.12227	14.2
171.11700	5.7
173.09607	2.0
175.11165	5.4
177.09106	2.5
179.10628	4.3
179.14333	1.6
181.08698	2.3
181.12070	1.9
185.09613	1.8
185.13297	2.4
189.12714	3.7
193.12251	1.9
195.11751	2.2
203.14340	2.6
207.13728	2.4
213.16324	1.8
215.12759	9.5
217.12314	3.1
227.17877	3.3
245.19014	15.2
255.17381	5.5
263.20087	12.3
273.18484	40.9
291.19522	64.9
309.20493	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03936	5.4
55.01856	4.9
55.05520	15.8
57.03432	7.4
57.07054	4.3
62.91871	1.4
65.03928	2.6
67.05188	2.0
67.05513	32.2
69.03415	2.3
69.07074	17.5
69.23744	3.3
69.24140	14.4
71.04980	2.1
77.03923	2.0
79.05087	2.3
79.05501	32.8
81.03400	4.3
81.07067	48.7
83.04961	3.8
83.08606	6.4
84.76978	1.5
85.06538	1.6
91.05484	46.3
93.07050	76.4
95.04373	2.7
95.04973	49.0
95.08616	47.3
97.06538	21.1
103.05446	5.0
105.07040	91.5
106.07819	2.3
107.04935	3.1
107.08601	45.7
109.06527	12.6
109.09483	2.3
109.10175	23.8
115.05428	4.8
117.07033	18.9
119.08591	66.7
121.06509	9.9
121.10151	100.0
123.08089	10.4
123.11713	6.1
128.06219	11.0
129.07027	13.6
130.07814	8.2
131.08572	38.9
132.37038	1.5
133.06505	2.6
133.07550	2.0
133.10139	45.8
135.08043	5.1
135.11693	11.8
137.09637	2.2
139.62883	1.7
141.06995	6.2
142.07770	12.0
143.08580	30.9
144.09369	8.7
145.06454	2.8
145.10133	55.1
147.08009	6.2
147.11673	15.1
149.09596	4.6
153.06926	1.8
154.07791	4.2
155.08553	12.6
156.09331	9.8
157.10152	35.2
158.10832	4.9
159.08081	1.9
159.11707	43.5
161.09628	9.0
161.13257	9.1
163.11110	2.2
167.08565	4.4
168.09331	4.2
169.10164	20.1
170.10901	5.5
171.11694	21.5
173.09581	3.8
173.13268	18.1
175.11195	2.4
175.14821	5.4
179.08548	4.1
180.09369	2.4
181.10104	5.0
182.10913	5.7
183.08090	1.8
183.11708	14.4
183.13147	2.3
185.09610	2.0
185.13232	11.6
187.11188	14.2
187.14821	22.1
189.12767	2.9
193.10139	4.5
194.10902	2.6
195.11673	9.6
196.12463	4.2
197.13261	13.3
199.11314	3.5
199.14845	12.6
200.15527	2.2
201.12776	4.6
201.16432	2.9
205.10126	1.6
207.11668	5.4
209.13307	7.3
211.11227	2.0
211.14746	8.4
213.16411	4.5
215.14278	3.4
219.11670	1.6
220.12428	1.9
221.13251	5.4
222.13985	1.9
223.14816	4.7
225.12769	1.5
225.16406	4.9
227.14302	3.5
229.15837	1.9
235.14767	5.9
237.16322	4.9
239.14452	2.4
239.17944	3.6
249.16373	3.7
253.15855	6.9
253.19576	3.3
265.19565	3.9
267.17563	1.5
281.22595	5.4
290.16055	1.7
291.21082	9.6
291.26401	1.6
295.60550	1.6
309.22110	70.2
310.22574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.03178	0.7
53.03936	0.8
55.01875	4.8
55.05513	4.7
57.03442	31.9
57.07067	1.4
57.96680	0.7
65.03939	2.0
67.05511	26.0
69.03408	1.7
69.07072	3.9
70.96159	1.1
70.96509	1.2
71.05001	4.8
79.05067	1.3
79.05498	14.4
81.03407	1.1
81.07057	11.2
83.05006	2.3
83.08623	3.0
85.02914	2.6
85.06552	30.2
85.87357	0.7
91.05490	11.0
93.07048	10.2
95.04977	41.6
95.08613	6.9
97.06536	1.6
97.10164	1.2
99.08061	0.8
99.12807	0.7
105.07044	7.3
107.04972	3.3
107.08615	8.3
109.06525	39.7
109.10173	2.4
111.04454	0.7
111.08085	1.3
111.77486	0.9
113.06015	100.0
117.07047	5.5
119.08591	5.0
121.06538	1.9
121.10154	3.4
123.08076	2.4
128.06238	0.7
129.07011	3.2
131.08580	8.8
133.10158	4.2
135.08067	29.7
135.11696	3.3
143.08601	4.4
145.10136	5.6
147.04384	1.8
147.08060	1.7
147.11665	1.7
149.09642	2.7
149.13283	1.1
157.10156	2.7
159.08070	0.9
159.11720	2.9
161.09618	4.2
163.11183	1.5
169.10141	0.8
171.11707	2.2
173.13258	1.2
177.12778	1.8
183.11671	0.9
189.12794	0.8
189.16367	1.0
195.13954	0.7
199.14853	3.0
201.12886	0.9
217.15891	11.6
219.13852	1.0
235.17044	0.8
255.17409	2.3
263.20087	1.2
273.18530	15.1
291.19565	46.6
292.19812	1.0
309.20715	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	1.3
55.01868	2.9
55.05516	20.9
57.03426	1.1
57.07081	0.7
59.05006	0.7
64.37853	0.5
65.03941	1.1
67.05512	11.4
69.03441	3.3
69.07073	7.9
69.96586	1.4
71.04980	1.6
73.02934	0.6
76.38794	0.4
79.05500	11.9
81.03427	2.5
81.07067	12.9
83.04975	2.7
83.08154	0.7
83.08626	10.3
85.02910	4.4
85.06523	0.7
87.04443	0.6
91.05488	7.4
93.06488	0.7
93.07049	9.1
95.01344	1.0
95.04980	4.7
95.08614	6.0
97.02906	2.1
97.06568	1.9
97.10178	16.3
99.08102	0.6
101.09635	0.4
105.07037	6.2
107.04977	2.7
107.07882	0.5
107.08600	7.0
109.02863	0.6
109.06506	1.6
109.10155	3.7
111.04448	1.6
111.08100	1.4
115.05449	0.5
117.07034	2.6
119.04948	1.2
119.08594	6.0
121.06506	2.0
121.10152	3.5
123.04422	0.7
123.08073	5.3
123.11690	0.7
125.08776	0.8
125.09644	12.8
128.06285	0.5
129.05482	0.9
129.06978	1.3
131.08577	4.1
133.06509	2.3
133.10152	2.6
135.08099	2.5
135.11700	1.6
137.05965	0.9
137.09631	1.5
139.11151	0.4
143.08530	1.6
145.06543	0.5
145.10132	3.0
147.06859	0.6
147.08031	4.0
147.11691	2.3
149.09610	1.4
151.11179	0.8
153.09058	0.8
157.10110	1.5
159.08214	0.6
159.11705	1.7
161.09612	1.2
163.11250	1.9
165.09132	2.5
171.10185	0.9
171.11682	0.7
175.11221	1.5
181.12122	0.4
187.11305	0.6
189.11227	7.9
189.12840	0.5
191.10771	0.7
193.12292	0.8
199.11235	0.5
205.12236	0.7
217.12328	0.5
221.11792	1.2
223.13313	6.7
227.18025	0.6
231.17349	0.7
245.19128	1.1
249.14891	1.2
255.17436	1.3
263.20016	0.9
273.18512	9.4
283.13345	0.4
291.19562	100.0
292.19931	1.0
309.20615	3.6
309.23819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.13872	1.0
53.03941	3.5
55.01872	11.2
55.05515	34.3
55.63754	1.0
57.03439	32.3
57.07080	1.5
59.04995	1.4
65.03940	1.9
67.05510	25.7
69.03437	3.3
69.07075	8.8
70.77272	2.6
71.04989	4.1
79.05495	33.4
81.03425	1.8
81.07059	53.5
83.04977	3.1
83.08622	15.2
85.02903	7.7
85.06538	5.5
91.04922	1.5
91.05486	24.4
93.07044	21.7
95.04963	10.1
95.08612	16.1
95.35102	1.0
97.06518	4.2
97.10175	21.8
99.08083	5.3
105.07045	19.5
107.04957	21.7
107.08612	16.5
109.06519	19.2
109.10127	7.2
111.08091	1.8
115.05450	2.4
117.07023	19.4
119.04941	2.8
119.08578	36.2
121.06517	10.1
121.10132	9.4
123.08064	8.4
123.11711	1.3
125.09631	20.7
128.06201	1.5
129.05495	1.6
129.06982	7.5
130.07803	1.8
131.08566	13.3
133.06506	1.7
133.10097	5.4
135.08087	9.7
135.11728	3.8
137.09633	3.5
143.08583	6.0
145.10129	17.6
147.04422	5.0
147.06729	1.5
147.08052	18.5
147.11673	2.7
149.09576	5.4
149.13281	1.3
151.11198	1.8
153.09180	2.6
155.08592	1.6
156.09380	1.2
157.10104	5.5
159.08064	3.3
159.11687	4.4
161.09616	6.8
161.13266	1.7
163.11180	3.1
163.14925	1.2
165.09113	2.6
169.10141	1.7
171.10271	2.6
171.11705	4.6
173.13255	3.9
175.11226	2.3
177.09105	1.5
183.11714	2.3
185.13266	2.7
187.11194	1.2
189.11240	12.8
189.12785	1.9
189.16324	1.3
191.14278	1.6
199.11224	2.4
199.14771	1.1
201.12827	3.0
203.14465	1.5
217.15837	3.1
219.13802	8.4
223.13289	3.4
227.17918	2.8
237.14848	4.1
245.19003	1.3
249.14883	6.8
255.17488	3.8
273.18506	46.1
291.19553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.7
57.03444	10.4
58.47757	0.7
61.02921	2.7
69.03426	3.4
69.77124	3.8
70.06605	1.6
71.01363	1.3
71.05000	24.1
72.08163	0.8
73.02924	5.2
75.04485	14.3
75.84499	0.8
81.03419	1.7
83.04995	5.0
84.04501	3.5
84.08154	10.2
85.02911	100.0
85.08469	0.8
86.06070	1.2
86.09708	1.4
87.04501	1.9
91.05484	2.3
93.07056	1.8
95.04984	1.3
97.02918	4.9
98.97562	0.8
99.04452	2.3
101.06010	1.0
102.05527	1.0
107.04962	0.9
109.02877	2.2
110.06083	0.8
111.04473	3.6
116.07104	1.3
119.04938	1.6
121.02859	0.9
121.06539	0.7
122.06004	0.8
123.00681	0.8
123.04414	0.9
127.03910	3.4
129.05493	24.9
130.08807	0.9
132.95839	0.8
134.08078	1.0
135.04399	1.0
140.07007	1.3
143.08600	1.1
145.02803	1.0
147.04446	8.3
147.06525	14.2
152.07097	2.3
154.08627	1.4
161.05949	0.8
162.09189	2.0
163.03900	2.2
171.06589	0.9
175.03990	1.1
177.05479	1.8
177.82799	0.9
178.05193	0.9
180.10217	1.6
182.99626	0.9
201.00735	2.5
204.12659	0.8
208.09703	4.6
215.13931	2.0
217.06953	1.8
217.13493	2.7
227.11710	2.0
231.11328	0.8
231.13585	0.9
243.17068	2.5
245.12828	3.5
255.08713	1.0
263.05478	1.4
263.13940	3.5
273.12357	2.3
291.13385	10.1
309.07727	1.3
309.11090	1.5
309.14294	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	309.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.04178	0.7
55.05511	0.9
57.03439	0.9
61.02942	1.3
64.95007	0.6
65.03958	1.3
67.05515	8.1
68.05029	0.8
69.03428	2.5
69.07064	3.0
69.46413	3.9
69.46832	1.6
70.06602	1.9
71.05016	0.9
72.08164	0.7
77.03943	0.8
79.05476	2.1
80.05016	0.9
81.03428	5.4
81.07049	2.1
82.06589	8.3
83.04998	1.9
84.08138	1.9
85.02926	3.4
85.06566	0.9
86.09712	1.9
91.05492	5.8
93.03423	4.8
93.07056	2.5
95.04982	6.1
96.04503	14.4
96.08162	0.7
97.02879	1.0
97.06580	1.1
98.06065	2.0
100.07632	1.9
101.07967	1.2
105.07034	1.0
107.04982	1.7
107.08582	0.9
108.08129	1.9
109.02898	3.1
109.05219	0.7
109.06519	1.0
110.06062	44.9
111.04464	3.5
112.07594	1.0
113.06017	1.7
119.04964	6.9
119.08556	1.4
120.08115	1.9
121.02907	2.5
122.06026	1.7
123.04446	1.9
124.07626	6.8
125.06019	0.9
126.05553	1.8
127.03912	1.4
128.07101	1.3
129.10220	0.8
131.04916	1.2
133.06477	0.7
134.06017	0.7
135.04448	1.5
136.07599	75.7
137.05986	4.6
138.04462	1.3
138.05524	27.0
138.09167	0.7
139.03920	2.5
140.07146	3.7
141.05449	1.3
145.02911	1.7
145.06541	0.7
145.10173	0.7
147.04431	26.0
147.08072	0.9
147.09161	1.2
149.06012	1.2
150.05530	2.1
152.07083	13.9
153.05495	0.8
154.08653	100.0
155.07074	1.6
155.08720	0.7
156.06583	19.4
160.07510	0.8
161.05959	1.7
161.08446	0.8
162.09125	0.8
163.03996	1.3
164.07120	1.0
165.02373	1.2
165.05525	1.2
166.08727	1.3
171.04364	0.8
175.03955	2.5
175.07542	1.9
177.05487	5.6
182.04935	1.3
186.09163	1.7
188.07025	1.3
188.09447	1.4
190.08792	1.6
190.12248	1.4
193.04999	1.9
200.10721	2.6
201.05591	0.7
201.09192	1.3
202.08629	1.2
203.07047	1.5
204.10272	1.7
207.06555	2.1
208.02933	12.2
214.11043	0.8
216.10287	1.2
217.06839	1.0
217.13358	1.9
218.08167	3.2
218.11832	1.6
219.06598	1.2
225.99895	0.8
228.10249	3.0
229.08554	0.8
231.11452	1.1
231.13763	0.8
242.10539	0.8
245.08281	0.9
245.12881	4.8
246.11287	6.7
247.09665	1.9
248.09450	1.0
249.07602	1.0
249.12389	1.3
255.11407	2.1
256.09839	1.7
261.12296	1.5
263.05536	2.5
263.13971	0.9
264.12424	1.0
273.12375	5.3
274.10794	8.3
291.13464	9.3
292.11807	24.7
294.04996	1.2
309.07419	9.0
309.14499	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.05512	1.5
57.03422	0.8
65.03962	1.4
67.05509	7.5
68.05034	1.2
69.03429	1.9
69.07071	4.3
69.57520	4.6
70.06598	1.3
71.04990	1.1
77.03927	1.3
81.03414	5.7
81.07065	1.2
82.06598	6.6
83.04987	1.2
84.08147	1.6
85.02909	2.9
85.06609	0.9
87.94073	0.7
91.05479	5.9
93.03410	3.2
93.07051	2.2
93.19936	0.6
94.06569	0.9
95.04982	5.6
96.04502	15.2
97.02901	2.0
97.06556	1.0
98.06084	1.3
98.21251	2.2
100.07617	3.2
103.05493	1.2
105.07037	1.2
107.04948	1.6
108.04485	0.9
108.08133	2.0
109.02872	1.5
109.06535	2.1
110.06058	44.0
111.04444	2.9
112.07626	0.8
113.05990	1.4
117.07037	0.7
119.04983	5.3
120.04538	0.7
120.08142	2.0
121.02876	2.2
122.06014	0.9
123.04414	1.8
124.07597	6.4
126.05546	1.8
127.03943	0.9
128.07085	1.1
129.07074	0.8
131.08606	0.7
134.06024	1.2
135.04420	1.7
136.07594	75.1
137.06013	3.5
138.05516	29.2
139.03923	1.4
140.07039	2.6
141.05492	0.9
143.08607	0.9
145.06497	0.8
146.06041	1.0
147.04425	20.7
147.08122	0.8
147.09277	0.7
149.06026	0.9
150.05576	2.1
152.05898	1.1
152.07085	13.6
154.08647	100.0
155.07002	0.9
156.06569	18.9
156.07826	1.3
160.07648	1.1
161.05901	0.7
162.09195	0.8
163.03979	1.4
165.05592	1.1
171.61945	0.7
172.11186	1.4
174.09172	0.9
175.03943	2.2
175.07603	1.4
177.05502	5.0
185.13318	0.8
186.09129	1.5
188.09364	1.5
188.10857	1.7
189.70097	0.8
190.08652	2.3
190.12437	1.0
191.07101	1.2
193.04967	1.6
200.10741	1.5
201.09161	0.8
202.08571	1.0
204.10136	1.0
207.06529	2.2
208.02913	5.5
216.12216	0.7
217.04927	1.2
217.06790	0.8
217.13416	1.1
218.08182	3.2
218.11769	2.3
227.11827	0.8
228.10258	2.0
230.08064	0.7
231.11292	1.0
236.24391	0.8
242.10568	0.8
245.12814	3.7
246.11244	5.0
247.09706	1.3
248.04866	0.8
248.09196	1.8
249.10025	1.1
249.12386	2.7
255.11194	1.7
256.09622	1.2
260.11679	1.4
263.05505	2.2
263.13953	0.9
264.12531	1.0
265.05106	0.9
273.12378	5.3
274.10782	10.6
291.08713	1.8
291.13422	7.3
292.11810	25.8
292.15073	1.6
309.07327	5.2
309.14474	73.3
310.14801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01872	9.4
55.05505	8.9
56.96351	1.3
56.96570	11.7
57.03443	19.4
57.89716	1.5
59.04986	2.3
61.02931	20.5
65.03939	3.2
67.05498	4.5
69.03435	60.7
69.07048	2.3
69.17381	15.0
70.03759	2.0
70.06578	5.3
70.98088	1.8
71.01365	2.3
71.05007	8.6
72.08159	4.8
73.02921	18.4
73.06554	5.9
75.04471	3.8
79.05484	1.9
81.03424	24.9
82.06585	23.9
83.04981	3.7
83.06927	7.5
84.04510	3.0
84.08154	21.4
84.96020	1.8
85.02911	100.0
86.03240	3.9
86.06077	1.7
86.09696	2.5
87.04479	14.3
88.04009	2.2
88.36282	1.7
91.03956	5.1
91.05479	7.0
94.06551	1.8
95.04972	3.7
96.04477	3.6
97.02900	50.3
98.03249	2.5
98.06057	2.1
98.97594	55.9
99.04463	6.3
100.07619	21.2
101.00874	11.4
101.02396	4.6
102.05536	1.9
103.00645	5.3
103.02456	3.5
109.02905	14.3
110.06063	8.5
110.97583	7.3
111.02962	2.3
111.04480	4.0
112.07621	1.9
113.00873	5.2
114.10310	3.6
115.02457	4.1
115.03955	9.0
116.98633	18.3
117.01866	2.0
118.01102	3.1
119.01933	15.2
119.04951	7.8
120.02019	4.0
121.01679	9.1
121.02873	7.3
122.07161	3.6
124.07590	2.1
124.99157	2.0
126.05520	2.6
127.02487	2.7
127.03918	41.0
128.04167	1.9
128.07077	8.1
128.98595	10.0
129.83205	1.7
130.08672	5.9
131.00209	3.1
131.01907	11.2
132.95853	5.1
133.01686	1.9
133.03439	7.9
133.04991	4.1
134.99652	4.5
135.03215	6.5
136.07590	16.1
137.02895	4.0
137.05983	23.7
138.05423	9.4
139.02483	2.7
140.04967	2.2
140.07007	2.5
142.01199	2.5
143.00166	4.8
143.01903	27.0
144.02020	1.9
145.01590	3.3
145.03467	8.6
145.04976	16.7
146.08119	10.5
146.99655	6.6
147.03256	3.9
147.04417	23.9
147.05771	17.4
147.08440	5.1
147.55919	2.2
149.01141	2.4
150.05505	4.4
150.96867	4.6
152.06998	2.3
153.04117	3.6
153.05695	3.5
154.08633	20.6
155.01932	13.8
155.04579	3.9
156.06535	2.7
157.03456	5.9
158.56572	1.7
158.99670	14.6
159.01018	2.9
159.03262	2.1
159.05827	2.0
161.01068	3.2
161.01598	2.3
161.02936	21.4
161.06631	3.2
162.03096	2.2
163.02686	5.5
163.03932	2.8
165.00813	2.3
165.04147	1.8
167.02040	2.3
168.01723	10.4
170.06285	2.8
170.99693	4.5
171.05074	2.9
172.97557	2.9
173.01308	10.6
173.02980	9.1
173.06558	12.2
174.04518	5.3
175.04501	6.6
177.00745	13.6
177.02376	7.2
177.04089	5.5
177.06560	5.4
178.05016	2.2
179.05481	2.2
179.07013	2.6
179.55656	1.8
182.99701	2.4
183.05055	5.1
185.01448	2.5
185.02890	10.0
185.06590	14.0
187.02681	1.6
187.04503	2.8
187.08240	1.9
188.98495	2.4
189.00671	7.7
189.02380	6.2
189.06070	3.1
190.05943	1.7
190.98701	3.5
191.02219	5.3
191.03801	3.3
191.07603	4.3
195.05072	6.1
197.02919	2.8
197.06673	10.9
198.02887	4.4
198.99026	1.7
199.00909	1.6
199.08177	1.9
200.06102	4.2
201.00743	4.2
201.06491	1.6
203.02292	3.5
203.04050	7.7
203.07755	7.6
205.03697	3.0
207.01701	3.1
207.05223	2.3
210.02928	4.1
210.07388	5.4
213.06071	2.8
215.03999	2.4
215.07643	9.7
216.06400	2.4
217.00148	2.9
217.06973	6.7
218.98126	1.9
219.01781	7.5
219.03404	5.7
219.05203	11.7
219.07907	46.8
219.58022	4.3
220.04161	2.2
221.04938	12.4
223.01178	3.1
223.04602	2.4
225.12378	4.9
227.03940	2.5
228.03935	4.7
228.08435	10.2
231.01692	2.5
231.05280	2.0
233.05055	2.0
235.06638	3.4
237.02734	3.8
237.06194	7.4
244.04424	2.5
245.01634	2.3
245.05110	4.4
249.02606	9.1
249.06396	2.1
249.08757	2.1
253.07881	2.6
255.07376	3.1
257.08844	2.9
263.02945	13.2
263.07358	2.9
267.03964	8.3
267.07022	1.9
273.14532	4.2
275.09750	15.4
276.09753	3.3
277.02271	2.5
277.07910	4.6
286.07693	2.7
288.09534	2.3
291.03967	4.1
293.10892	31.2
294.11130	2.6
295.08646	2.0
305.10846	6.0
309.02350	2.7
309.05106	3.8
309.07727	13.3
309.13760	30.7
310.08438	1.9
327.03247	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
53.73759	0.6
54.51400	0.7
55.05525	4.1
57.03194	1.0
57.03450	11.8
59.05018	1.7
61.02930	3.4
63.87635	0.8
66.89893	0.7
67.05519	5.7
69.03437	2.0
69.07072	2.2
71.01401	1.7
71.05003	19.4
71.52789	1.1
73.02934	4.8
73.06538	0.9
75.04499	15.2
79.05502	4.5
81.07072	5.8
83.04993	5.6
83.08645	0.9
85.02917	100.0
87.04472	3.3
91.03977	1.5
91.05492	3.5
93.07047	5.3
95.04997	1.8
95.08633	3.3
97.02903	2.9
97.06542	2.2
97.10211	1.6
99.04475	1.5
99.85275	0.8
101.06037	0.9
105.07067	2.1
107.04952	1.1
107.08605	1.8
109.02888	1.3
109.06533	1.3
109.10149	1.7
111.04467	3.3
111.08018	1.0
114.45451	0.8
117.07051	1.2
119.08580	1.8
121.06436	0.8
121.10155	1.6
123.08099	1.2
125.16924	0.8
127.03951	3.3
129.05496	18.9
131.34561	0.8
133.10205	1.6
137.09633	0.9
143.08624	1.0
145.05005	3.0
147.04544	1.8
147.06540	15.2
147.11679	1.0
151.11292	0.8
159.11699	1.1
163.06065	0.8
165.07579	0.9
171.06567	1.3
173.13368	1.0
199.14897	1.3
213.16344	0.8
255.08585	1.0
258.01971	0.8
258.94705	0.7
273.18546	1.0
277.21680	1.9
291.19662	1.9
308.62247	0.8
309.07559	1.0
309.20718	2.3
309.24463	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03942	2.4
54.08065	0.9
55.01862	2.3
55.05273	1.9
55.05517	20.7
57.03420	2.8
57.07087	8.4
57.19471	0.9
57.21485	1.0
64.71243	0.9
65.38963	0.9
67.05512	35.1
69.03429	2.3
69.07076	45.4
70.86444	2.5
71.04985	4.1
71.08636	2.5
72.08161	1.4
73.06553	3.4
79.05502	20.7
81.07065	100.0
83.04991	2.5
83.08630	16.7
85.06558	17.7
85.10183	1.2
91.05494	15.2
93.07052	43.8
93.07640	2.1
95.04976	5.2
95.08617	87.0
95.56760	0.9
97.06537	26.7
97.10186	12.4
99.08103	8.7
105.07037	28.7
107.08604	38.5
109.06521	5.0
109.10166	54.8
111.08095	6.3
111.11739	9.2
113.09647	3.4
117.07011	3.1
119.08581	23.1
119.91027	0.9
120.08110	1.4
121.06503	1.7
121.10150	30.0
123.04421	4.0
123.08068	3.8
123.11714	23.3
125.09640	4.6
125.13249	1.8
127.11226	2.3
129.12814	0.9
131.04947	1.5
131.08575	7.1
133.10143	18.8
135.08130	2.4
135.11700	27.3
137.05896	1.7
137.09621	7.7
137.13268	8.8
139.11205	5.8
145.10126	10.8
147.11726	16.1
149.09653	2.1
149.12054	1.2
149.13274	25.2
151.11191	4.3
151.14842	3.3
155.10585	1.6
159.11726	9.8
161.06018	1.6
161.13264	19.9
163.03981	1.4
163.11237	3.1
163.14851	13.0
165.05562	1.2
165.12804	5.4
165.16405	2.3
166.08676	1.3
167.14366	1.2
173.13269	5.9
175.03876	1.2
175.07510	1.1
175.14850	11.7
177.05566	2.6
177.12790	1.3
177.16348	6.8
179.14307	4.0
179.17995	2.5
187.14857	4.1
189.16393	12.3
191.17966	2.8
193.05057	1.9
193.15868	1.6
201.16415	4.3
203.03394	5.3
203.17914	3.6
205.15878	1.4
207.17451	1.6
210.88298	1.0
215.18036	7.4
217.19536	2.3
219.10178	6.6
229.19572	1.6
231.21172	1.3
233.19051	2.0
245.08145	4.9
245.22699	3.6
263.23752	2.8
264.07785	1.4
271.24219	20.3
277.25308	1.3
288.93716	1.2
289.10699	17.7
289.18237	1.7
289.25293	42.9
296.44473	1.3
302.19141	1.1
307.09439	2.1
307.26331	57.6
310.94763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.077
Annotation	Narciclasine
Peak:m/z	Relative Intensity
57.03422	0.7
68.99785	0.4
70.06574	0.3
70.72914	1.0
80.04990	0.5
82.06586	0.4
85.02916	5.9
98.97594	0.5
108.04503	2.4
111.04456	0.8
113.02382	0.8
115.05422	0.7
121.02848	0.4
124.42003	0.3
130.06483	0.4
131.03484	0.4
133.02890	1.0
142.06554	2.2
146.05995	1.1
146.08095	0.5
150.03125	0.7
150.05424	0.5
151.03983	0.5
158.06013	1.0
162.03143	0.4
163.03952	0.6
170.06041	5.4
178.05020	12.6
179.03426	2.2
186.21005	0.4
188.07083	2.9
190.05026	1.1
193.04817	0.4
198.05511	2.7
199.06221	0.4
204.06673	0.5
215.05702	0.5
216.06589	100.0
217.06848	0.8
218.08121	0.4
226.04947	0.4
244.06096	12.4
244.59531	0.3
262.07126	18.7
290.06635	23.4
308.07684	94.4
309.07901	1.1
316.02325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76394	0.2
65.03941	0.8
71.51540	0.2
76.02223	0.2
79.05470	0.2
81.07041	0.3
82.06571	0.6
84.04508	2.5
84.08135	0.3
85.02871	0.3
91.05487	9.7
95.08654	0.2
100.07621	0.2
102.05572	0.3
109.10175	0.3
116.07073	0.4
119.04950	25.5
136.07600	0.6
144.06577	4.9
146.08131	0.3
147.04417	100.0
148.04765	0.3
162.07658	1.4
164.07069	0.4
175.07523	0.2
177.07872	0.7
216.06738	0.3
218.09669	0.4
219.87837	0.2
246.15044	0.3
290.10385	0.2
308.09393	0.3
308.13455	0.3
308.18820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.34535	0.2
55.01874	0.2
55.05515	0.3
57.07076	0.5
58.02959	0.2
60.38007	0.1
65.03941	0.2
67.05514	0.5
69.07073	0.9
70.63882	0.4
70.64220	0.2
71.08652	0.8
71.83615	0.2
76.02206	0.2
79.05502	0.6
79.24110	0.2
81.07063	1.8
83.08622	0.2
91.05489	0.8
93.07065	0.4
94.04189	1.6
95.08613	0.7
99.08070	0.3
100.07655	0.2
103.30910	0.2
105.07062	0.2
107.04951	0.3
107.08620	0.3
109.06510	0.5
112.21449	0.2
114.09203	0.2
119.08633	0.2
121.06503	0.2
122.03657	5.8
137.05989	100.0
137.13269	0.4
138.06297	0.6
143.36449	0.2
153.12793	0.3
155.14297	0.4
165.12755	0.4
167.11469	0.3
172.16966	1.5
184.16991	2.7
291.23212	1.5
302.17288	0.2
308.22446	0.6
308.25885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	(1R)-2-Oxo-3,4-dehydroneomajucin
Peak:m/z	Relative Intensity
51.02369	0.3
53.03949	1.4
55.01867	0.6
55.05508	0.3
57.03441	1.3
59.05028	0.4
61.74663	0.2
63.02401	0.2
65.03947	0.6
69.03093	0.3
69.03439	4.1
69.07071	0.8
71.04986	0.9
71.25600	0.4
71.62646	0.2
73.02922	0.6
81.03426	13.9
81.07055	0.2
85.02911	6.0
87.46575	0.3
89.03876	0.2
91.05492	9.3
93.07034	0.2
95.08599	0.3
97.02904	4.2
98.69595	0.2
99.04459	1.4
104.14731	0.2
109.02888	5.9
117.03388	1.0
119.04954	24.2
119.08540	0.3
127.03943	1.3
145.02849	1.9
146.37093	0.3
147.04420	100.0
148.04756	0.4
149.05994	0.3
152.86011	0.2
163.04018	0.4
165.05495	3.5
165.06744	0.4
175.07600	0.9
177.05495	3.1
229.08481	0.3
245.08139	0.5
249.07578	0.6
254.92815	0.2
273.07562	0.4
283.20493	0.2
291.08655	16.3
309.09760	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	1.2
55.05511	2.3
57.03431	2.5
57.07077	0.5
59.04997	0.7
61.02919	2.4
67.05512	2.5
69.03089	0.6
69.03434	7.9
69.07073	4.4
70.07410	0.9
71.04987	1.0
71.51726	0.6
74.29679	0.5
75.61519	0.4
79.05479	2.0
81.03429	5.7
81.07063	5.6
83.04990	0.6
83.08625	1.5
85.02910	45.5
85.06532	1.8
89.03886	0.7
91.05489	9.5
93.07049	3.9
95.04948	0.8
95.08617	5.3
97.02901	6.3
97.06522	0.9
97.10159	1.9
99.04491	0.7
99.08071	0.7
105.07030	1.9
107.08607	2.4
109.02885	5.9
109.06540	0.9
109.10168	4.6
111.08095	1.0
111.11737	0.8
117.03375	3.2
119.04949	21.9
119.08575	1.8
121.10137	2.2
123.04500	0.5
123.08087	0.9
123.11691	2.0
125.09654	0.6
127.03918	2.8
131.04948	0.9
131.08578	0.5
133.10121	1.5
134.03612	0.6
135.04404	0.5
135.08003	0.5
135.11691	1.7
136.12022	0.9
137.05995	0.7
137.09537	0.5
137.13251	0.8
139.11189	0.9
145.02861	10.4
145.04980	1.5
145.10130	0.6
147.04419	100.0
148.04778	0.6
149.05988	1.4
149.13303	1.5
151.14772	0.7
161.13260	0.8
165.05505	5.9
171.07964	0.5
171.11661	0.5
175.07536	3.4
177.05481	18.6
177.16455	0.7
191.03464	0.6
199.07573	0.6
205.12076	0.4
207.35448	0.5
229.08615	1.4
234.06754	0.6
245.08139	1.5
263.06857	0.5
270.50604	0.5
273.07608	2.1
277.08572	1.2
281.11960	0.8
291.08560	3.1
291.11432	1.2
291.23462	0.6
291.26804	1.1
294.08871	0.6
309.09665	7.3
309.27759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.04053	1.1
53.03955	2.7
55.01856	3.9
55.05513	23.3
57.03424	3.2
57.07085	9.1
59.04989	2.6
59.97123	1.0
67.05510	29.9
69.03426	4.5
69.07072	96.9
71.04992	4.0
71.08614	3.2
73.06557	5.2
76.13005	1.2
79.05073	2.1
79.05500	32.5
81.07061	100.0
83.05000	6.4
83.08628	16.9
85.06552	15.7
91.05482	16.2
93.07050	51.7
95.04979	6.0
95.08612	75.0
97.06537	77.0
97.10172	10.0
98.20724	2.5
99.08105	10.0
100.84135	1.2
105.04519	1.1
105.07042	28.7
107.04956	1.5
107.08601	48.4
109.06522	4.9
109.10164	43.7
111.08074	4.8
111.11724	21.7
113.09642	2.9
117.07066	2.4
119.08585	25.8
121.06535	2.2
121.10152	31.4
123.04440	10.5
123.08128	5.3
123.11709	23.0
125.09622	4.2
129.12790	2.1
131.04890	1.3
131.08539	5.8
133.06578	1.1
133.10146	19.7
135.08052	3.0
135.11697	56.9
137.06036	1.3
137.09604	7.7
137.13258	6.9
139.11189	17.2
145.10129	11.6
147.04410	4.6
147.11696	18.3
149.09619	1.4
149.12155	0.8
149.13260	21.7
151.11208	2.9
151.14825	4.7
153.12767	2.5
155.10696	1.8
157.12302	1.4
159.11691	13.7
161.05983	1.2
161.13271	14.2
163.03938	2.3
163.11220	3.7
163.14828	14.2
165.05495	4.0
165.12776	7.6
165.16385	2.0
173.13268	7.6
175.03987	2.1
175.07567	4.0
175.14813	10.1
177.05463	8.3
177.12827	1.7
177.16344	8.1
179.14331	3.6
179.18030	1.6
181.15907	1.3
187.14787	5.9
189.05519	2.9
189.16402	5.8
189.22678	1.1
191.03316	1.8
191.14436	1.3
191.17972	3.9
193.04970	7.2
193.15884	1.9
201.09177	1.5
201.16499	3.1
203.03413	20.4
203.17915	2.5
207.17365	1.7
209.19003	1.4
213.18486	1.5
215.18002	5.6
217.08585	2.5
219.10179	20.3
219.17438	1.7
229.19238	1.3
233.18950	1.5
245.08101	16.6
245.22572	1.6
261.11179	2.7
263.09286	2.2
263.23788	2.2
271.09927	1.5
271.24289	14.9
277.25262	1.4
289.10727	63.4
289.17886	2.0
289.21991	1.2
289.25250	34.5
295.25323	1.4
307.09583	1.9
307.19150	2.0
307.26321	64.0
323.95416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.9
53.13385	1.8
55.01881	27.7
55.05275	2.7
55.05515	28.8
57.03448	12.1
57.07061	2.1
65.03942	4.2
67.05506	62.9
69.07071	43.1
69.81651	10.4
71.04976	4.6
73.06552	3.6
73.08756	2.1
79.05495	57.2
81.02991	3.1
81.03426	32.2
81.07060	99.3
83.04997	13.2
83.08617	13.1
85.06528	3.9
86.10293	2.0
91.05487	51.1
93.06496	3.7
93.07052	60.4
95.01330	5.1
95.04986	16.2
95.08612	50.8
97.06535	53.6
97.10168	10.4
98.20839	3.2
99.04465	4.0
99.08067	3.8
105.07038	67.5
107.04968	30.3
107.08592	37.3
109.06527	18.4
109.10168	16.8
111.08064	7.2
115.05492	2.8
117.07015	21.0
119.08593	43.3
121.06491	7.6
121.10147	16.8
123.04422	2.0
123.08077	12.4
123.11707	5.0
125.09642	15.9
129.06984	5.1
131.08565	27.7
133.10136	42.1
135.08072	9.4
135.11678	20.5
137.05963	3.0
137.09613	2.9
138.06313	2.0
139.07562	3.5
141.07013	2.4
143.08562	3.7
145.06529	4.5
145.10120	21.9
147.11693	16.4
149.09642	20.3
149.13277	11.5
151.11159	5.3
157.10114	3.9
159.11700	23.0
161.13226	8.3
163.11189	7.8
165.09181	2.7
169.10168	4.2
171.11671	4.7
173.13280	7.3
177.12738	18.4
179.14282	14.5
183.11771	3.5
185.11636	2.9
185.13219	5.1
187.11255	10.5
201.12691	3.1
201.16425	2.3
203.12749	11.0
203.14458	4.5
205.12248	4.6
209.15355	8.3
215.18001	3.1
219.17435	34.4
229.19565	5.3
233.15208	2.1
239.17941	4.4
246.73567	1.9
247.20538	5.8
257.19012	10.7
275.20084	100.0
307.22913	20.5
307.26004	4.3
307.28458	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03936	1.9
55.05276	1.5
55.05516	20.2
57.03436	2.8
57.07085	9.4
59.04977	2.0
59.41917	1.3
63.13905	1.5
65.03920	2.0
67.05511	37.7
69.07076	44.0
69.86121	8.5
70.01081	1.2
71.04993	4.0
71.08644	1.7
73.06553	3.4
79.05018	1.5
79.05497	29.7
81.03394	2.9
81.07061	100.0
83.05004	1.8
83.08627	16.1
85.06541	16.5
91.05492	14.4
93.06494	3.2
93.07053	42.0
95.04953	5.0
95.08614	89.6
97.06535	17.8
97.10175	12.0
99.08099	10.0
105.07043	29.2
107.08600	43.6
109.06532	2.3
109.10164	50.2
110.86319	1.6
111.08099	8.1
111.11729	8.0
113.09693	2.5
117.07011	2.8
119.08582	22.4
120.08094	1.8
121.06462	2.0
121.10158	31.6
123.04417	1.8
123.08078	4.4
123.11704	23.3
125.09644	6.7
125.13265	1.5
127.11168	2.1
131.08559	8.8
133.10143	19.7
135.08115	2.2
135.10732	1.6
135.11714	27.8
137.09601	6.7
137.13295	8.8
138.45911	1.5
139.11172	6.5
139.12115	1.4
145.10147	8.9
147.11691	22.5
147.33473	1.7
149.13268	26.6
151.11230	4.8
151.14803	2.7
153.99332	1.5
155.10696	2.5
159.11702	10.5
161.13286	18.1
163.11205	1.6
163.14856	13.3
165.12762	5.4
165.16376	1.6
173.13261	6.4
175.14861	9.0
177.05518	2.4
177.12663	1.6
177.16382	5.8
179.14293	4.1
187.14854	5.3
189.16399	10.6
191.17960	2.2
201.16425	4.9
203.03371	2.2
215.18013	9.6
217.19499	2.2
219.10208	4.5
219.17416	2.0
233.19048	2.4
245.08189	3.6
245.22755	3.7
261.25665	1.9
263.23639	4.2
271.24216	23.2
289.10736	11.0
289.25284	40.1
307.26312	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90829	1.0
53.03938	4.9
55.01874	5.8
55.05515	31.1
57.03443	11.7
59.04994	2.0
67.05513	16.5
69.03423	3.0
69.07076	10.2
70.05178	5.1
71.04984	1.1
73.06532	1.3
79.05064	1.8
79.05498	19.9
81.03436	7.5
81.07062	17.4
83.05003	5.6
83.08630	14.1
85.06538	1.6
91.05498	17.1
93.07052	9.1
95.04977	6.5
95.08620	8.6
97.06538	58.6
97.10184	20.3
103.05457	2.7
105.07050	8.6
107.04926	5.2
107.08612	11.2
109.06534	12.2
109.10188	8.3
111.04429	1.3
111.08083	3.6
117.07008	4.0
119.08575	5.7
121.06516	100.0
121.10149	3.5
123.04423	1.4
123.08072	2.7
123.11678	1.2
125.09615	10.1
129.06987	4.0
129.62770	1.2
131.08556	4.8
133.06522	2.2
133.10117	3.3
135.08046	9.8
135.11690	1.9
137.09613	4.8
143.08580	2.0
145.10118	2.8
147.08060	6.4
147.11659	3.9
149.09618	1.7
149.13351	1.0
151.07559	2.1
153.09117	1.2
157.10124	1.9
159.08072	49.9
159.11673	2.0
161.09622	3.5
163.07576	1.7
169.10170	1.9
173.09627	3.1
175.11212	2.9
177.08890	1.3
185.09692	5.5
187.14828	1.8
189.11227	2.9
193.12271	4.8
197.09698	3.2
197.13200	1.5
199.11166	2.2
211.11304	2.6
211.13310	2.8
212.22357	1.3
215.14322	3.8
227.14359	1.2
233.15411	4.1
233.19275	1.0
243.17532	3.1
253.15944	9.0
261.18607	3.1
270.70926	1.1
271.16971	11.1
289.18008	35.4
289.21259	1.8
307.18988	7.3
307.26465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03936	2.2
55.01864	8.2
55.05271	2.7
55.05516	43.4
57.03442	35.3
67.05180	3.1
67.05508	37.0
69.03424	4.0
69.07075	10.1
69.84908	9.6
70.31738	1.8
79.05493	38.8
81.03423	3.3
81.07058	19.5
83.04982	4.6
83.08621	16.8
89.42589	1.9
91.05485	24.3
93.07037	14.0
95.04954	7.0
95.08571	5.2
97.06512	4.5
97.10181	23.0
99.08105	2.3
103.34006	1.8
105.03444	2.4
105.07039	13.2
107.04963	19.1
107.08595	22.9
109.06503	8.7
109.10190	9.3
111.08051	3.7
115.05487	2.1
117.07017	12.3
119.08591	11.7
121.06501	6.8
121.10194	3.0
123.04359	2.0
123.08044	2.7
125.09649	23.2
129.06972	5.4
131.04890	2.3
131.08565	6.7
133.06473	5.0
135.08060	23.0
137.09605	5.5
141.06932	2.6
142.96948	1.7
143.08571	2.4
145.06508	4.1
145.10112	7.0
147.08040	5.3
147.11647	2.2
153.09097	7.1
155.08629	2.3
157.10130	5.0
159.08067	63.2
159.11703	2.7
160.08856	3.5
161.09576	4.8
163.07573	6.3
169.10094	2.4
171.10242	2.3
171.11653	3.8
173.09621	4.0
175.07552	1.9
177.09126	3.9
185.09663	3.9
187.14861	5.1
189.11264	10.1
191.10638	2.6
193.12236	3.1
197.13315	3.4
199.11174	2.4
207.11795	1.8
215.14325	13.5
225.16385	3.1
233.15352	25.9
243.17461	5.3
253.15907	11.8
261.18457	2.2
271.16946	36.2
289.17984	100.0
292.68674	1.9
307.24594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	1.9
55.01862	2.9
55.05511	12.3
57.03432	0.9
57.07064	2.0
67.05510	27.7
69.03448	1.5
69.07072	19.6
69.43058	5.7
71.04967	1.5
71.08627	0.8
73.06560	1.2
73.75388	0.8
79.05495	18.1
81.07059	31.6
83.04993	6.4
83.08631	4.4
85.06535	1.4
91.05488	20.6
93.07053	24.1
95.04979	8.9
95.08612	20.4
97.06513	3.2
97.10179	2.5
105.07035	26.5
107.04956	7.3
107.08600	16.7
109.06531	10.9
109.10159	9.7
111.08073	2.0
112.05634	0.9
117.07022	6.8
119.08590	13.7
121.06510	9.4
121.10154	9.1
123.08077	6.4
123.11688	2.8
125.09598	1.2
129.07002	1.4
131.08562	14.0
133.06458	2.4
133.10149	15.9
135.08028	4.2
135.11703	5.0
137.06006	3.1
137.09601	2.9
137.13216	1.4
138.06401	1.4
143.08580	2.8
145.06520	1.9
145.10120	10.8
147.08035	3.3
147.11707	11.2
149.09644	6.2
149.13289	3.3
151.11198	7.8
155.08594	2.0
157.10098	4.2
159.08090	1.8
159.11688	8.0
161.09645	2.9
161.13289	2.8
163.11188	6.1
165.12752	1.9
169.10141	1.5
171.11710	2.1
173.09593	2.2
173.13217	5.4
175.11192	2.1
175.14964	1.2
177.12791	2.6
183.11716	2.8
185.13274	1.5
187.11235	1.5
187.14772	1.1
191.14355	4.8
201.12819	2.7
207.13824	3.4
213.16319	1.1
215.14282	1.5
215.17976	0.9
219.13794	5.3
229.19460	2.0
231.17361	0.8
233.15312	1.2
233.18976	1.0
235.17218	1.0
237.72595	0.9
239.17926	3.5
247.20667	4.5
251.16594	1.5
257.19025	16.4
275.20078	100.0
288.49225	0.9
289.21585	3.5
307.22690	56.0
308.23312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05493	1.1
56.05022	0.6
57.03425	0.9
59.48791	0.7
60.04509	0.8
65.90343	0.8
67.05499	1.7
69.03441	1.8
69.07072	1.5
70.02953	1.6
70.06597	4.5
71.04982	1.2
71.50655	1.2
72.08148	3.2
77.44022	0.8
81.03414	1.8
81.07056	2.0
82.02930	0.9
83.04972	0.7
84.04517	2.0
84.08131	2.1
85.02908	2.4
85.06546	1.3
86.09704	4.3
87.00830	2.9
91.05476	2.4
93.07057	1.9
94.06571	2.3
95.04935	1.2
97.02896	1.9
97.06539	1.5
98.98477	1.1
103.05463	2.0
105.07042	2.3
107.04948	0.9
107.08591	1.4
109.10199	0.8
115.05454	3.3
116.03493	0.9
116.07083	0.8
117.07033	2.3
119.04974	1.9
119.08578	1.1
121.02845	3.8
121.06551	1.5
122.06090	0.8
123.04480	1.1
124.07624	1.2
127.03877	1.2
128.06198	0.8
129.07014	0.8
129.10237	1.0
130.06541	80.6
131.04942	1.6
131.08524	1.3
132.04462	22.0
132.95836	1.0
133.06487	1.7
135.08020	1.0
137.05994	1.9
138.05495	1.4
140.07011	1.0
145.06516	3.5
146.06029	18.6
147.04449	5.0
147.08118	1.3
149.06006	1.1
149.09647	1.2
155.06039	1.2
157.07631	71.3
158.06029	100.0
159.06416	1.3
160.05238	0.9
161.06013	2.9
163.03928	1.1
167.10715	1.2
173.05956	2.3
173.07225	4.5
174.05507	3.4
174.62349	0.8
175.08698	46.1
176.07085	1.1
177.05453	2.1
179.07117	1.0
185.06044	0.9
189.05547	4.7
191.03394	1.9
191.07063	1.4
197.07118	2.1
199.08853	1.5
200.07101	0.9
201.06888	4.3
201.09444	0.8
203.08209	5.1
205.08604	1.3
216.06546	1.3
217.05066	0.9
217.09909	1.0
217.12239	0.8
221.09242	3.3
232.76501	0.8
233.08159	1.6
235.06197	0.8
235.16875	1.0
243.07774	10.7
243.11449	0.9
245.09293	3.2
245.12750	0.9
247.07158	3.0
261.08759	43.9
263.14050	0.9
271.07040	2.7
277.12000	0.9
289.08194	14.8
289.11804	3.6
290.10342	0.9
292.07266	0.8
307.05875	2.0
307.09225	8.1
307.12888	7.4
307.16330	5.3
307.19470	1.6
314.88318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.60305	0.3
52.65200	0.4
55.01876	1.4
55.55844	0.3
60.92839	0.3
68.12718	0.3
69.07057	0.4
69.61594	0.8
69.62006	1.0
79.62025	0.3
87.87526	0.3
94.06541	0.4
97.02937	0.3
98.06060	0.6
106.06547	0.4
107.08611	0.7
108.04477	1.1
112.07590	0.3
121.02760	0.3
122.06031	1.7
123.04446	0.7
124.07581	0.4
132.08083	0.5
133.66055	0.3
134.09753	0.4
135.08066	1.7
136.07610	0.6
138.05472	0.3
140.07100	2.0
144.08083	0.4
148.07591	0.4
150.05547	0.5
150.09129	0.5
156.08124	0.5
159.08032	0.4
159.09280	0.6
160.07590	1.5
163.08669	1.3
164.07063	0.6
168.06577	1.8
168.39691	0.3
170.05994	0.4
172.07552	0.4
173.07060	0.4
174.09142	2.1
176.07053	0.7
177.06567	0.6
177.10257	1.3
178.08655	13.4
182.08144	0.6
184.07593	1.4
184.78214	0.3
186.09239	0.7
187.08693	1.2
188.07088	3.2
188.10812	0.4
189.10327	0.4
190.08720	0.4
191.08147	0.6
196.09648	0.6
198.09148	1.4
200.07268	0.4
201.06581	0.5
201.10326	2.7
202.08644	5.6
204.10265	0.6
205.09756	3.7
206.08136	1.9
212.07083	1.1
215.08224	0.4
215.11830	0.8
216.10234	2.8
217.09750	0.7
219.07771	0.8
219.11290	4.6
220.09715	2.2
226.08694	2.0
229.09760	4.7
230.08136	3.6
235.10826	0.4
243.11302	1.7
244.09729	3.3
247.10829	11.6
248.09125	1.1
254.08038	0.8
261.12366	1.2
262.10730	1.5
265.11859	12.7
271.10754	1.6
272.09167	1.6
278.55255	0.3
279.13492	0.4
289.11853	14.4
290.10352	0.5
307.12909	100.0
308.13199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82096	0.5
56.05052	2.6
58.06612	4.1
61.01163	0.6
69.03448	0.7
69.07066	0.5
70.06613	0.9
71.30100	0.9
71.30438	0.4
73.02956	0.5
81.03425	0.8
81.07051	0.9
83.05048	0.5
84.04520	24.9
84.08158	100.0
85.02911	0.5
85.06564	1.0
85.08491	0.7
86.06075	6.3
86.09723	6.8
88.04005	1.9
104.44262	0.5
107.05029	0.4
114.12859	0.6
119.04948	0.6
121.02883	0.4
122.06156	0.4
124.27766	0.5
127.07652	0.5
130.06544	3.4
130.08635	2.0
132.04494	0.9
132.08485	3.0
133.06479	0.8
140.07085	0.7
141.13892	4.8
144.10258	1.3
145.06563	0.7
145.08598	0.8
146.06010	0.5
147.04448	1.9
157.07671	3.5
158.06067	3.9
161.06007	1.2
169.13387	9.1
173.05981	0.7
175.08681	2.3
189.05537	1.4
191.03427	0.9
198.11307	1.4
201.05519	0.8
205.05029	0.5
215.13943	41.1
216.06848	0.5
219.03009	0.5
243.17091	51.4
261.08707	1.9
262.11111	2.9
282.40512	0.4
289.08533	0.7
289.11826	1.5
307.13028	2.4
307.16873	28.4
308.07803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86499	2.1
62.01016	2.7
63.35981	2.3
69.51987	14.8
81.20713	2.0
82.03592	2.3
82.06570	3.7
96.73773	2.2
98.09667	7.5
100.07628	16.6
101.00867	6.5
103.75456	2.9
104.10732	3.6
119.01871	6.9
126.81283	2.4
131.01842	4.1
133.03429	9.0
144.10139	2.5
145.10487	4.6
146.08189	12.8
146.09181	4.1
147.08418	3.1
162.07660	21.9
175.04436	7.7
187.04410	4.1
215.00267	3.3
217.05586	14.8
229.01976	3.0
247.02890	4.3
265.07599	6.4
277.07620	2.9
292.24570	2.3
307.07782	100.0
307.15479	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	307.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60009	0.6
51.48867	0.6
52.54529	0.6
59.62343	0.6
64.67654	0.6
69.03430	1.4
69.07069	1.3
69.80500	3.2
70.06591	1.7
72.08171	0.9
72.93818	0.7
77.03947	0.7
79.05498	0.8
84.08157	0.8
85.02901	1.3
85.06525	0.6
86.09715	0.8
87.00842	2.7
87.04464	1.4
91.05508	1.3
94.06569	2.8
97.02926	0.7
98.21467	0.8
103.05523	0.8
105.07039	1.2
107.04964	0.9
109.02895	0.8
110.17535	0.6
113.28371	0.6
115.05449	1.4
117.78699	0.6
121.02898	1.2
124.07578	0.8
127.03944	0.9
130.06537	89.2
130.99437	0.6
132.03468	1.2
132.04466	24.1
132.95857	4.6
133.06509	1.0
137.05978	0.9
139.04037	0.8
144.95747	0.7
145.06477	1.4
146.06015	6.7
147.04413	2.5
147.09245	0.8
150.96846	1.1
157.07626	80.7
158.06027	100.0
158.70010	0.6
158.97411	0.7
161.06006	3.8
173.05934	0.7
173.07147	4.7
174.96899	1.7
175.08687	50.8
176.07100	1.4
176.98500	0.9
177.05453	1.4
189.05486	3.0
197.07202	1.5
198.96927	0.7
199.08691	2.5
201.06810	4.9
203.08214	5.4
216.06747	1.0
216.98015	3.0
221.09283	4.2
225.06584	0.8
243.07727	10.0
245.09210	2.4
246.98961	2.0
247.07285	3.1
261.08746	54.0
271.07071	2.7
271.10117	0.7
289.05188	1.2
289.08243	15.1
289.11823	2.1
301.38068	0.6
307.05814	1.6
307.09274	8.5
307.12854	4.8
307.16232	3.4
308.07324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.96692	2.2
53.03944	6.3
55.01870	14.8
55.05513	37.1
57.03440	92.7
57.07061	4.1
59.04996	3.2
65.57857	2.5
65.69899	2.1
67.05511	59.0
67.74266	2.7
69.03416	4.5
69.07076	21.4
70.04311	4.5
70.04703	5.4
71.04982	9.9
73.06254	2.1
73.06564	26.2
79.05495	44.8
81.07065	48.5
83.04987	83.3
83.08609	7.6
85.06522	6.5
91.05482	55.5
92.37389	2.7
93.07049	48.5
95.04977	18.9
95.08619	39.6
97.06527	8.1
97.10172	4.1
98.20821	3.5
99.04466	9.0
99.08085	7.2
105.07036	44.1
107.04963	95.6
107.08609	30.4
108.05733	7.5
109.06523	31.4
109.10168	14.9
111.03713	4.8
111.04439	54.2
111.05200	2.8
111.08064	5.9
113.06014	6.4
115.05373	4.1
117.07018	23.5
119.08583	35.9
121.02888	4.4
121.06532	15.9
121.10130	19.8
123.08046	23.7
125.05984	11.3
125.09621	7.6
129.07021	13.3
131.08572	31.3
133.06500	15.2
133.10136	24.9
135.08061	25.4
135.11731	13.7
137.05981	42.1
137.09619	12.2
138.06308	23.5
141.06975	7.5
143.08575	15.0
145.06447	11.8
145.10133	21.9
147.08084	14.5
147.11671	10.2
149.05980	11.8
149.09627	10.5
149.13234	2.8
151.07631	6.0
151.11234	3.1
155.08542	14.7
157.10104	11.3
157.11328	2.7
159.08113	18.9
159.11699	13.4
161.09633	16.9
161.13255	6.8
163.07579	10.5
163.11194	13.7
164.32640	2.7
165.09190	3.2
165.12692	3.5
169.10135	7.6
171.11726	13.0
173.09619	9.2
173.13252	7.4
175.11168	7.8
177.09111	8.9
177.12727	30.4
178.13457	3.9
183.11688	4.5
185.09615	3.1
187.11124	3.3
187.14824	9.8
189.09169	4.5
189.12756	10.6
197.13271	7.5
199.11192	3.4
201.09200	4.4
205.15860	20.4
215.14403	14.0
215.17995	5.2
217.12250	3.6
225.16435	5.9
227.14124	2.8
233.15388	58.4
239.18060	2.8
243.17419	12.0
253.15820	10.2
261.18521	44.9
264.91479	2.7
271.16885	32.2
275.19965	14.1
289.18027	100.0
289.21295	7.8
290.22070	3.5
307.22604	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	306.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55140	0.5
53.55840	0.5
55.58148	0.5
57.07078	100.0
58.07407	1.1
59.99113	9.6
69.36340	4.3
71.08627	1.3
85.07673	1.5
86.06072	17.5
86.10542	0.8
86.72729	0.5
95.04945	0.9
102.03781	2.9
102.99625	1.3
106.06559	62.7
106.34286	0.5
116.05325	43.6
125.22272	0.6
137.05977	4.4
141.13849	0.7
142.12276	0.7
145.04309	10.7
164.23778	0.6
201.10580	77.2
208.05388	4.7
250.10178	3.7
306.13107	0.8
306.16376	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06250	0.3
54.20839	0.3
57.35301	0.3
58.02966	0.4
62.83988	0.3
69.07062	1.2
69.53819	0.4
69.54224	1.5
74.62412	0.3
75.89897	0.3
81.07055	0.6
91.05487	0.4
93.07027	0.4
94.04201	1.8
95.08652	0.3
105.07026	0.3
107.39645	0.3
109.10170	0.9
114.09203	0.4
118.74572	0.3
122.02796	0.2
122.03652	5.5
133.10158	1.0
135.11734	1.2
137.05986	100.0
138.06432	0.4
151.11215	0.6
153.12764	1.2
170.15443	2.4
182.15407	3.6
213.39389	0.3
225.69608	0.3
250.39276	0.3
263.78998	0.3
306.20557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.05042	0.4
57.07081	4.6
58.06599	1.7
66.95863	0.3
68.05024	0.4
69.07093	1.3
69.07378	0.2
70.06599	19.7
70.81744	0.3
71.03469	0.6
71.08298	0.3
71.08639	3.3
72.08160	1.7
75.92327	0.2
81.07029	0.8
84.08150	2.3
86.09714	2.4
88.07642	9.3
89.06010	0.5
93.07044	0.4
95.08611	0.5
97.06520	0.9
100.07650	0.3
102.09190	5.3
107.08602	0.4
109.10151	0.4
111.11723	0.3
113.57751	0.3
114.09199	0.7
120.57407	0.3
121.10122	0.6
132.10222	7.1
146.11772	7.4
147.32169	0.3
156.17520	2.9
182.19048	1.3
194.44975	0.3
200.20114	21.1
201.57083	0.3
244.22745	36.0
245.23029	0.4
254.66147	0.3
288.25522	1.5
289.10635	0.6
306.26413	100.0
307.26599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
58.99872	1.1
61.02916	4.1
69.03421	2.8
71.08691	1.0
71.09012	1.9
81.03448	1.3
82.06573	1.8
82.99837	8.3
84.04540	1.3
85.02897	4.6
88.18324	1.2
89.00900	1.4
92.77181	1.2
95.01310	1.0
97.01400	3.9
97.02880	2.4
98.09666	2.5
100.07629	5.7
101.00890	68.4
103.02441	1.4
113.00873	8.7
115.02457	15.2
117.04009	1.7
119.01933	100.0
120.02024	1.6
121.01664	2.3
126.98792	1.7
127.02363	1.2
127.03901	2.6
129.00345	1.1
129.04016	7.8
131.01926	15.5
133.02554	1.9
133.03490	21.1
133.48935	1.1
135.04951	1.2
137.02974	8.9
143.01915	14.2
144.99843	4.2
145.03505	6.5
146.08125	2.7
147.01395	3.2
147.05049	7.1
149.02960	2.9
151.04547	1.8
155.01921	2.3
157.03477	6.4
159.01419	6.4
159.05058	1.1
161.02982	21.2
162.07666	7.7
168.99841	20.3
171.01376	2.7
173.02980	7.4
175.04530	3.7
177.02463	15.0
185.03011	2.1
186.07655	1.9
187.00896	42.8
187.02589	2.2
187.04521	2.0
189.02448	3.4
191.03984	4.2
193.03484	1.0
196.99332	13.2
197.03070	1.5
198.60289	1.1
199.00845	2.0
199.04492	1.3
201.02423	3.8
202.02122	1.2
203.04031	3.6
205.01947	13.4
215.00388	47.8
217.01979	3.3
217.05507	5.3
219.03505	12.8
219.05305	1.7
221.04977	3.4
228.99655	1.6
229.01964	32.1
233.01466	4.8
235.06479	2.8
247.03015	93.9
248.03307	1.4
253.07613	2.3
261.04453	1.3
263.06561	1.1
265.04053	16.1
265.07407	1.7
270.04721	2.8
277.07675	4.2
283.05029	1.6
284.03650	2.0
289.04059	16.6
302.05060	1.8
307.05057	17.6
307.09198	6.5
307.16089	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45259	1.6
56.96565	2.5
57.03429	2.8
64.97630	1.8
69.03440	5.0
69.35587	13.7
70.06591	2.9
70.99860	3.0
81.03419	4.0
82.06585	9.4
82.99842	9.9
85.01446	4.2
85.02898	8.8
87.04469	2.2
89.00948	1.7
90.88291	1.8
96.76512	1.5
97.01407	6.0
97.02912	3.5
98.09702	4.2
98.97580	1.9
99.10062	4.0
100.07624	37.5
101.00896	68.7
102.17722	1.8
103.02469	6.5
104.10749	4.6
113.00890	11.3
113.01561	2.0
115.02443	20.9
117.04018	3.1
119.01931	100.0
124.02499	2.2
125.00883	2.2
127.02479	4.8
127.03947	5.4
129.03999	7.2
131.01920	25.8
133.03496	44.7
135.03203	2.4
135.05086	2.3
137.03004	9.2
143.01923	22.7
144.06573	3.6
144.10184	3.5
144.99899	4.1
145.03453	15.1
145.10609	3.2
146.08145	19.9
147.05017	6.9
149.02931	3.6
151.04543	5.4
155.01924	7.2
156.05069	2.4
157.03513	11.2
159.01454	8.0
159.05070	4.1
161.02962	28.9
162.07640	63.8
167.01903	2.5
168.25464	1.8
168.99840	18.2
169.03514	4.6
171.01399	3.3
173.02969	9.8
175.04518	21.5
177.02460	14.0
179.50108	1.9
180.75648	2.1
185.03011	8.0
187.00906	36.5
187.02612	2.2
187.04526	11.5
187.56735	2.2
189.02487	4.6
189.06097	3.0
191.03972	3.3
196.99335	12.6
199.04535	8.1
201.02501	5.7
201.06215	3.4
203.03976	8.5
204.06348	1.9
205.01999	10.7
210.07489	2.0
213.66003	1.8
215.00398	43.7
217.02202	3.2
217.05589	44.7
219.03510	13.0
221.05110	7.3
229.01964	28.3
233.01495	5.5
235.06566	7.3
245.05145	6.9
247.03029	88.3
247.06801	4.4
253.07700	4.5
265.04102	11.6
265.07782	17.1
275.06146	1.9
277.07895	11.4
284.03937	7.1
289.04187	17.1
302.04831	3.8
307.05078	12.4
307.08505	43.6
307.15958	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	305.1596
Annotation	Creoside I
Peak:m/z	Relative Intensity
51.66448	1.5
53.03944	2.3
55.01875	3.6
55.05511	8.5
57.03436	6.1
57.07077	3.5
59.04997	3.1
61.02927	5.8
67.05505	6.4
69.03444	17.3
69.07077	5.0
70.06591	7.2
71.05002	32.0
71.52036	1.8
72.08168	1.9
73.02921	2.1
73.06570	4.4
79.05502	4.9
81.03416	7.1
81.07070	6.7
83.04979	10.4
83.08610	8.3
84.08149	2.2
85.02914	35.8
85.06549	15.8
86.09708	3.0
87.04486	2.2
91.03915	1.7
91.05484	4.4
94.06566	2.5
95.04982	7.4
95.08619	3.7
97.02899	13.3
97.06531	5.5
97.10173	12.7
98.97633	2.2
99.04478	3.4
103.03928	1.8
103.05457	1.6
105.07066	3.2
107.08606	53.0
109.02894	4.6
109.06567	2.4
109.10152	2.6
110.07186	2.0
116.04999	8.0
119.08607	2.7
120.08060	4.0
121.02906	3.7
122.06045	2.1
123.04462	2.0
123.08112	3.3
124.07583	1.7
125.05997	3.4
125.09646	93.1
127.03941	7.5
129.10286	2.2
130.06573	1.8
135.04449	2.1
136.06258	4.6
136.07591	12.8
137.02423	1.9
137.06003	4.1
137.09631	2.2
140.07095	2.1
142.08624	1.9
143.07062	5.4
143.10689	100.0
144.04483	3.3
145.04997	3.5
145.10094	2.2
146.05957	3.2
147.04439	4.3
147.08037	2.0
149.09683	2.2
157.07626	3.9
158.06039	4.3
164.07121	7.1
167.10713	6.9
172.03925	10.6
185.11813	1.9
187.08681	1.9
190.05074	3.9
191.03488	2.6
191.10747	2.0
195.02731	2.0
209.11737	1.7
215.08334	1.8
217.08684	3.2
229.13443	2.0
231.07700	1.8
235.05933	2.7
241.09778	2.0
241.13399	2.0
251.12711	2.8
258.52267	1.8
259.06000	3.2
259.14554	1.9
261.12326	1.9
269.13083	5.4
287.06732	4.0
287.10553	1.8
287.13834	7.5
305.00592	3.4
305.08194	15.9
305.11328	11.2
305.14676	17.9
305.18185	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05502	2.3
57.03431	2.0
58.01650	0.8
58.99592	6.9
59.04993	2.1
64.02406	0.8
65.03943	0.9
67.05512	13.8
69.03423	1.3
69.07058	2.8
70.06586	2.2
71.04977	0.8
71.50764	0.9
71.51170	0.9
73.02901	1.5
76.02234	17.7
76.74877	0.8
79.05499	13.8
80.92953	0.7
81.07063	74.5
83.08617	3.4
84.08147	1.2
85.02909	17.7
85.06551	16.8
86.09694	1.1
86.99059	6.5
91.05482	2.4
93.07037	2.1
97.02921	0.8
103.03937	3.9
105.00099	10.2
105.07037	3.4
107.08595	17.8
109.06525	20.7
109.10167	9.0
116.07128	1.5
121.10159	2.2
122.02738	100.0
127.07566	60.5
127.08350	0.7
133.04979	1.0
136.03838	1.1
137.05969	2.3
143.38870	0.8
147.04440	1.5
149.09648	9.6
161.06079	1.1
165.07465	1.2
167.10669	6.1
185.11731	2.5
209.41824	0.8
229.37054	0.8
244.15228	1.0
288.12213	1.5
304.87265	0.9
306.13242	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	305.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
55.01880	2.1
55.05517	9.7
57.03439	12.8
60.30156	1.1
61.02915	3.8
65.92649	1.2
67.01838	1.2
67.05507	6.2
69.03434	13.7
69.07076	1.4
69.70808	6.1
71.01366	12.3
71.05000	19.3
73.02921	11.2
75.04481	10.8
79.00120	1.3
79.05495	3.9
81.03423	6.5
81.07039	2.5
83.01352	1.8
83.04988	24.8
85.02913	100.0
87.04463	4.2
91.05489	1.6
93.07021	1.8
95.01334	3.7
95.04971	8.8
95.08660	1.4
97.02905	7.8
97.06528	2.9
99.00815	1.8
99.04469	3.6
101.02361	3.0
101.06018	4.0
103.03938	4.6
105.05495	1.6
109.02888	3.8
109.06512	2.3
111.04448	22.4
111.96516	1.2
113.02374	4.9
113.06001	7.6
119.08602	1.8
121.10159	1.7
123.04377	1.4
125.02346	3.3
125.06011	2.8
127.03925	3.8
129.05489	18.8
129.06978	1.0
130.13437	1.1
131.03423	2.1
135.04420	1.4
137.02319	3.1
137.05893	1.6
139.03937	1.4
141.01836	7.0
147.06540	12.0
149.02303	2.1
151.03900	2.1
153.05444	1.5
155.03380	2.9
155.06993	1.1
157.01352	2.9
157.04990	11.1
159.02913	6.8
159.06494	1.5
165.01871	6.7
166.06152	1.0
167.03375	1.4
167.07115	1.7
169.04941	2.0
171.06523	2.3
173.08099	3.2
183.02910	6.1
187.02402	5.8
195.06558	2.4
201.03966	11.4
204.62402	1.2
213.03894	2.5
213.07637	5.0
215.05542	1.1
217.07045	3.0
223.06004	1.2
241.07190	7.9
243.04927	2.2
251.05511	1.1
259.08179	6.8
265.56360	1.0
269.06638	8.5
287.07614	6.6
293.79822	1.2
305.08710	9.6
305.20932	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	305.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.05499	1.3
56.05030	1.7
56.96567	3.1
56.97869	0.6
57.03427	0.6
58.06604	3.3
67.05502	2.0
68.05024	0.8
69.03445	3.2
69.07068	0.8
70.06605	3.2
70.98149	0.7
71.05006	1.0
71.50484	0.7
72.08152	1.4
73.02929	0.8
73.06519	0.5
79.05505	1.0
81.03423	2.0
81.07053	1.4
82.02957	0.6
82.06618	1.5
83.05005	3.6
84.04507	8.5
84.08149	100.0
85.02901	5.2
85.06527	1.1
86.06075	2.5
86.09711	4.8
86.43335	0.5
87.04487	1.3
87.10031	1.0
93.03388	1.0
93.07047	0.7
94.06589	2.0
95.04968	1.4
95.08562	0.6
96.08149	2.0
97.02892	2.9
97.06548	1.0
98.97570	3.4
99.05553	0.8
100.07623	0.6
101.00890	1.0
101.07151	9.5
102.05585	1.4
107.04900	0.6
109.02901	1.1
110.07133	0.6
110.97588	0.6
111.04455	6.3
112.11256	19.3
113.06020	1.8
113.66702	0.7
116.04996	1.6
116.98622	1.8
119.01917	1.9
121.02935	0.6
121.06580	0.6
123.04490	0.6
124.07611	7.3
125.06001	2.2
125.07146	0.9
125.07954	6.8
127.03947	2.3
127.42839	0.6
128.07118	1.2
129.10231	1.6
130.06538	4.4
130.08636	0.7
131.01921	0.6
139.12282	1.3
140.07082	1.3
142.08640	3.2
143.00266	0.8
143.01886	1.0
143.03426	0.8
143.07056	12.8
143.08095	1.0
143.08998	2.0
144.04466	0.9
145.04988	1.0
146.06006	4.2
147.04427	0.8
148.04173	0.7
156.04497	0.9
157.06178	0.7
158.06033	11.5
158.99677	1.0
161.02972	5.0
164.07112	0.9
168.10175	0.6
172.03957	1.3
173.03000	0.7
173.07130	5.0
174.05553	1.1
175.04335	0.8
177.00786	0.8
185.12898	1.9
196.09801	1.0
197.02995	0.6
202.05000	0.9
203.04018	1.3
212.06303	1.4
213.12357	27.5
215.07739	0.6
219.01755	0.8
224.08159	0.6
237.03041	0.6
241.15494	38.2
241.38194	0.6
249.90758	0.7
259.07379	2.0
259.14841	1.2
260.09750	2.8
263.01108	0.6
287.10300	0.8
287.14017	1.0
305.07819	1.9
305.11920	12.2
305.15369	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	305.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85804	1.8
53.03946	3.7
54.43914	2.0
55.01880	3.9
55.05526	10.3
56.05044	10.5
57.03445	14.4
57.07067	9.0
58.06591	8.3
59.05003	3.2
60.04525	3.3
61.02910	6.1
67.01799	2.1
67.05502	8.7
69.03439	13.4
69.07053	6.5
71.01363	14.9
71.04999	19.7
71.08628	2.7
73.02921	9.8
73.26859	2.1
74.06088	10.9
75.04482	10.2
79.05492	5.6
81.03417	5.9
81.07040	7.1
83.01318	2.3
83.04999	27.5
83.08622	4.0
85.02917	100.0
86.06065	2.6
87.04466	4.1
88.07643	47.5
89.07972	3.7
90.52485	2.0
91.05491	3.3
93.07069	3.8
95.01318	4.5
95.04965	10.8
95.08620	5.9
97.02886	7.5
97.06512	7.6
98.97611	2.6
99.04453	4.5
101.02419	4.3
101.06032	3.7
101.76043	2.1
103.03933	6.1
105.07018	4.1
107.08588	5.2
109.02870	5.0
109.06541	4.4
109.10124	3.5
111.04461	20.7
113.02367	5.7
113.06016	8.3
118.08657	7.2
119.08617	2.7
121.06467	3.5
121.10144	3.4
122.08134	6.2
123.04459	2.6
125.02344	2.6
125.05984	3.0
125.09634	3.9
127.03898	6.2
129.05505	20.9
135.04388	2.4
135.08052	3.8
135.11748	2.4
137.02367	4.2
137.05980	4.0
141.01868	5.2
141.05432	2.9
143.07005	3.8
146.18015	2.0
147.06561	10.3
157.01295	4.3
157.04953	9.5
157.10060	2.1
159.02916	4.8
164.12024	1.9
165.01828	4.0
173.08110	3.5
177.04044	2.0
183.02913	7.7
187.02399	5.6
195.06471	2.4
201.04057	16.0
208.12204	2.1
213.04021	3.9
213.07611	3.0
241.07100	4.9
256.26395	33.5
257.26678	19.1
259.08200	6.7
269.06555	6.9
287.07590	8.1
287.16199	2.7
287.20178	4.2
290.06000	2.4
304.28506	92.8
305.05692	4.8
305.08588	11.3
305.21216	7.5
305.28827	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05521	9.1
57.03448	14.5
59.05010	2.6
61.02919	4.5
61.49311	1.3
65.03932	1.2
67.05511	6.1
68.99765	1.4
69.03443	15.1
70.03658	3.8
71.01366	11.4
71.04658	1.6
71.05008	21.0
73.02933	12.7
75.04485	10.3
79.05492	2.8
81.03426	6.0
81.07053	4.7
83.01351	3.0
83.05002	22.9
85.02918	100.0
85.89415	1.0
87.00809	1.3
87.04474	5.3
93.07057	2.4
95.01355	2.6
95.05003	10.5
95.08611	3.0
95.37950	1.1
97.02917	9.2
97.06541	3.6
99.00812	1.5
99.04458	3.7
101.02393	3.9
101.06039	5.1
103.03967	6.5
105.07066	1.7
105.65811	1.2
107.04950	1.8
107.08607	2.2
109.02871	4.0
109.06503	3.2
111.03721	1.5
111.04463	24.1
113.02399	6.2
113.06024	9.0
119.08607	2.3
121.02859	1.2
121.10155	1.8
123.04392	1.4
123.08073	1.5
125.02329	3.3
125.05990	2.7
127.03896	5.5
129.05501	20.5
131.03378	3.5
135.04440	1.9
137.02344	4.3
137.05969	2.7
139.03914	2.6
141.00861	1.0
141.01822	6.4
147.06554	14.0
149.05969	1.1
149.23807	1.0
151.03979	2.7
151.07530	3.5
153.05437	2.1
155.03412	1.3
157.01324	3.1
157.05031	10.3
159.02956	6.7
159.11664	1.2
163.03885	2.0
165.01871	4.5
169.01273	1.3
169.04909	1.7
171.06500	1.4
173.08090	3.1
175.02403	1.5
177.05464	1.8
179.03416	1.3
183.02896	7.9
187.02425	6.6
195.06523	2.6
201.03970	14.5
207.13750	1.5
213.07620	6.0
217.07144	3.6
225.04089	1.2
233.11734	1.3
241.07054	8.0
243.04938	3.3
255.66190	1.3
259.08072	7.0
269.06711	7.5
287.07584	7.8
287.16617	1.5
287.19965	2.2
302.71271	1.4
305.05518	2.2
305.08603	12.5
305.21179	2.6
305.24930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
54.92810	1.5
55.01867	2.8
55.05518	10.8
57.03440	12.0
57.07089	2.5
59.05003	2.7
61.02924	4.8
67.01880	2.1
67.05505	9.7
69.03441	10.2
69.07072	2.9
71.01357	13.5
71.04993	18.2
71.51918	1.7
71.52354	2.1
73.02918	9.6
73.06557	2.2
74.06068	1.9
75.04493	9.8
79.05499	3.9
80.24012	1.3
81.03413	5.3
81.07062	7.3
83.01345	2.1
83.04990	27.7
85.02911	100.0
85.06551	1.7
87.04475	5.6
91.05481	1.9
92.40272	1.5
93.07046	2.3
95.01334	5.7
95.04980	7.6
95.08601	4.6
97.02898	9.8
97.06530	3.8
97.10190	1.7
99.00841	1.5
99.04445	3.1
101.02409	2.8
101.06016	4.5
103.03958	5.8
105.07035	3.3
107.04960	2.9
107.08605	1.9
109.02896	5.5
109.06557	3.2
111.04460	20.7
113.02370	4.3
113.06028	6.4
117.06978	2.1
120.26929	2.3
121.06590	2.1
121.10187	2.7
123.04466	2.6
123.11686	2.1
125.02356	3.6
125.05999	3.4
127.03927	5.0
129.05492	16.6
131.03387	2.8
133.10181	2.0
135.11746	2.0
137.02327	3.6
139.03902	2.1
141.01857	8.2
141.05476	2.4
145.10172	1.5
147.04449	2.4
147.06537	10.3
155.03473	1.9
157.01363	2.1
157.04997	10.9
159.02939	5.8
165.01866	3.7
169.01410	2.6
171.06575	2.7
173.08148	2.4
175.09511	1.4
177.05457	1.9
183.02914	5.5
187.02415	8.3
195.06532	2.6
197.04320	1.6
199.06065	1.6
200.00400	1.5
201.03955	11.4
210.20241	1.8
213.07556	3.5
217.07083	1.8
219.05101	1.7
223.05963	2.9
225.03885	2.9
241.07141	5.1
259.08157	5.8
269.06552	8.7
287.07666	6.2
287.20212	1.6
304.28534	4.0
305.08652	14.5
305.17923	1.8
305.21439	2.9
305.25037	3.2
305.28796	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01855	1.0
55.05516	1.4
57.03427	3.0
57.03684	0.7
58.06590	1.4
60.04524	6.4
61.02917	3.6
64.51403	0.7
69.03431	11.9
69.07069	34.1
69.85136	3.7
71.05006	0.9
71.08636	18.5
73.02902	1.7
81.03418	6.1
84.04501	2.6
85.02909	55.1
86.02428	4.6
86.06049	1.6
96.08131	2.9
97.02898	36.1
97.06549	5.1
99.04436	2.3
103.03948	5.9
104.16785	0.7
109.02889	10.0
114.08424	1.3
114.09174	18.7
115.03951	0.9
124.07604	0.8
127.03932	11.8
138.09190	2.3
142.08646	100.0
145.04959	7.7
154.08717	1.0
156.10201	1.6
171.06693	0.8
180.10229	1.4
184.09702	65.8
208.09709	15.3
220.09857	1.8
222.11256	0.8
223.07623	0.8
238.10762	2.2
250.10777	8.2
268.11908	1.1
286.12909	2.8
304.05292	1.8
304.08478	1.1
304.14124	3.9
305.15680	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	304.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13094	0.3
50.65749	0.3
53.03959	0.4
55.05504	0.9
56.05033	0.8
56.96589	1.6
57.03439	0.7
58.06597	0.8
60.04561	0.4
61.02916	0.9
67.05508	1.2
68.05026	0.7
69.03441	3.3
69.07054	0.7
69.67068	1.5
70.02947	0.3
70.06596	3.7
71.05005	0.6
73.02919	0.6
74.06068	1.2
79.05504	4.8
80.05019	0.6
81.03416	1.4
81.05801	2.7
81.07067	4.4
82.02950	0.5
82.06590	1.8
83.01409	0.3
83.04970	0.6
84.04513	1.0
84.08160	3.8
85.02431	0.5
85.02919	6.0
85.06544	0.6
86.06093	1.4
86.09226	0.6
86.09721	9.7
87.04473	0.6
88.03978	0.5
88.07613	0.4
93.07053	0.6
94.06569	1.1
95.04990	0.7
96.04482	1.7
96.08144	7.3
97.02927	2.5
97.06521	0.4
98.06063	1.1
98.09705	1.5
98.97581	1.9
99.04449	0.7
100.07628	1.2
102.05515	0.8
106.06591	0.8
107.04964	1.0
109.02913	0.9
109.05247	0.5
110.05392	0.3
110.06020	1.9
110.09647	0.5
111.04409	0.4
112.07636	1.1
112.11253	0.9
113.06021	0.8
114.05552	3.0
116.98679	0.5
120.06622	0.5
121.02898	0.8
122.06068	0.9
123.08086	0.4
124.07611	100.0
127.03953	2.6
128.07106	0.8
128.98697	0.4
129.06609	0.5
130.05000	0.5
136.07556	0.3
137.06023	0.6
138.09120	0.7
140.07101	1.9
140.14380	0.4
141.10269	0.4
142.08658	21.9
143.11803	3.3
144.06612	0.4
145.04959	1.1
147.04427	1.0
157.09863	0.4
157.13347	2.7
158.99643	0.6
171.11296	0.8
173.09297	0.4
174.04503	0.4
175.04060	0.5
182.99681	0.7
183.06650	0.4
185.09258	5.4
185.12907	1.2
187.14474	1.0
191.10393	0.4
201.00703	0.8
201.12389	0.7
203.75485	0.3
213.12321	0.8
215.14046	0.7
216.46313	0.3
223.08076	0.7
232.06445	1.1
241.15604	0.9
268.11917	0.6
281.01883	1.1
286.14139	2.8
286.17154	0.6
304.08005	2.2
304.11252	0.4
304.13895	2.1
304.18967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.74957	0.5
55.01864	0.9
55.05509	1.6
57.03434	2.8
58.06598	1.6
60.04531	7.0
61.02933	3.5
67.05505	1.0
69.03436	11.3
69.07072	33.5
70.06330	2.1
71.01342	0.9
71.04993	1.2
71.08636	16.6
72.08172	1.0
73.02911	2.5
79.05496	1.1
81.03412	6.5
81.05805	0.8
82.06569	0.7
83.08653	1.1
83.67357	0.7
84.04512	4.2
84.08141	1.0
85.02913	58.2
86.00650	1.4
86.02433	4.9
86.06057	3.1
86.09708	0.9
87.03365	0.6
87.04490	1.1
91.03957	1.4
96.08141	4.4
97.02901	35.5
97.06547	4.5
98.97574	0.8
99.04460	2.3
103.03971	4.4
109.02897	10.7
110.02368	0.8
110.07139	0.8
114.05594	0.7
114.09171	17.2
114.09973	0.8
116.07137	0.7
124.07614	7.6
126.09156	1.2
127.03922	10.6
130.06570	0.6
131.07133	0.7
132.01120	1.5
138.09158	2.3
142.08646	100.0
145.04994	7.8
147.04445	0.8
152.10690	0.8
156.10223	3.2
166.08618	0.7
180.10194	1.7
184.09708	63.5
208.09694	14.9
220.09711	2.4
222.11237	1.2
232.06390	7.3
232.79787	0.7
238.10774	2.3
239.85960	0.7
244.79999	0.7
250.10710	7.1
268.11847	1.3
281.02042	1.1
286.12921	3.2
289.05490	1.0
304.05200	6.0
304.08151	1.6
304.14282	4.4
305.15674	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81128	8.6
55.05531	10.7
56.96577	31.7
61.02945	12.0
69.03441	27.9
70.06599	40.7
70.85670	17.6
70.98138	18.1
71.99223	9.6
74.23157	9.0
81.03436	11.0
81.04546	17.8
81.99461	10.6
84.04517	13.1
84.08157	28.6
85.02921	39.8
86.06108	20.1
88.28031	9.5
95.05036	9.8
97.02888	25.9
98.09710	11.4
98.97609	58.0
101.00889	63.9
107.13017	10.0
109.02891	22.6
114.05556	49.3
115.02416	11.4
115.05901	19.0
116.98650	20.7
119.01974	77.1
125.07167	15.9
127.02486	14.9
127.03914	39.7
129.03989	12.3
131.01938	26.3
133.03505	18.8
137.02956	12.0
142.03566	21.2
143.01956	24.7
143.08211	100.0
144.99902	11.9
145.03490	36.7
147.01392	19.4
147.04355	12.7
150.98700	10.3
157.03537	26.5
161.02985	45.7
169.03459	16.6
171.01488	12.1
173.02985	29.6
175.04466	12.8
177.02501	16.6
185.02974	36.5
185.09258	44.4
186.02444	24.6
186.09598	59.6
188.97099	21.3
202.98752	12.2
203.04021	29.4
227.04108	17.8
245.05148	41.5
248.99001	13.5
253.07970	11.7
263.00681	11.3
286.14374	12.5
287.14316	54.0
305.00418	63.6
305.07019	41.4
305.11459	16.0
305.14783	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01875	3.2
55.05518	9.9
57.03450	12.9
57.07067	1.8
57.17817	1.3
59.05015	2.1
61.02933	3.0
65.03946	1.5
67.05512	9.0
68.13674	1.4
69.03436	12.5
69.07069	5.4
70.06586	2.1
71.01357	13.0
71.04997	20.4
71.52171	2.1
73.02929	12.2
73.06567	1.6
75.04482	9.1
79.05498	4.4
81.03421	4.4
81.07058	11.6
83.01334	2.4
83.04987	28.1
83.08614	2.3
85.02913	100.0
85.06538	2.3
86.00707	1.4
86.30398	1.5
87.04462	3.6
88.07620	1.4
91.05482	4.0
93.07056	6.2
95.01328	4.0
95.04968	10.5
95.08617	8.4
97.02906	10.0
97.06514	4.0
99.00807	2.1
99.04469	3.4
101.02365	3.8
101.06019	4.9
103.03950	4.3
105.07024	1.9
107.04955	1.5
107.08604	5.9
109.02893	4.3
109.06544	2.8
109.10168	4.2
111.04454	19.2
113.02386	4.2
113.06036	8.2
117.17490	1.3
117.45577	1.2
119.08590	3.0
121.02919	1.7
121.06533	2.1
121.10162	4.6
123.04446	2.1
123.11718	4.6
125.02362	2.5
125.05991	1.7
125.09632	2.6
127.03922	5.7
129.05502	19.4
131.03400	2.6
131.08575	2.3
133.10149	2.4
135.08066	2.3
135.11705	2.5
137.02373	3.5
137.06024	1.8
137.09543	1.7
139.03905	3.4
141.01840	6.9
143.07013	1.8
147.06526	9.5
149.02371	1.8
149.06012	1.7
149.13191	2.3
151.03896	2.9
155.03419	2.0
155.06990	1.4
157.01332	4.0
157.04985	10.5
157.06195	1.9
157.10158	1.9
159.02905	6.0
161.13272	1.4
165.01852	4.7
167.07034	1.3
169.01230	2.2
169.05000	1.4
171.06573	2.3
173.08127	3.0
177.04036	1.7
177.05431	2.7
181.05034	1.7
183.02954	6.2
187.02417	5.3
195.06505	3.0
199.05989	2.4
201.03925	10.1
213.07584	4.0
217.07018	2.1
219.04959	1.9
223.06073	1.9
241.07123	4.9
242.24809	2.9
251.05421	2.1
259.08215	7.8
269.06628	7.4
274.51642	1.2
287.07559	5.1
287.16476	2.2
304.28610	3.6
305.08591	11.1
305.21146	3.8
305.24756	4.1
305.28894	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	303.0869
Annotation	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.03959	3.4
55.01886	1.1
55.05523	0.8
56.44000	0.7
57.03459	0.8
65.03954	1.1
67.05513	2.3
68.99810	2.3
69.07079	1.3
69.35612	4.6
77.03928	1.6
79.05513	2.4
81.07069	1.9
91.05497	2.8
93.07054	3.4
95.04987	54.0
95.08609	1.6
97.06554	1.1
103.05485	0.9
105.04539	0.9
105.07028	2.1
107.04976	45.5
107.08604	2.1
109.10190	0.8
111.04484	1.1
119.04973	1.6
119.08589	1.6
120.05755	4.6
121.02897	13.0
121.06509	4.0
122.03622	0.7
123.04452	90.4
127.95583	0.7
131.04892	0.7
131.08559	1.0
133.10135	1.0
137.02379	1.5
137.06007	10.9
138.03119	1.2
140.01018	0.8
145.06508	1.1
145.10126	0.9
147.11697	2.2
149.02373	27.9
150.03062	0.8
153.01903	0.9
153.05504	3.5
153.06854	0.7
155.03397	1.3
157.06552	0.7
163.03938	0.8
165.01884	0.8
165.07043	1.7
166.02576	1.4
166.08623	0.7
168.00594	8.4
169.01384	3.7
169.06512	1.4
173.05937	0.9
181.04993	17.9
181.06400	0.7
182.02124	0.7
183.02940	11.4
183.08057	1.7
186.01611	2.7
189.09114	0.7
194.02179	3.7
197.04459	1.7
197.05995	2.2
201.05482	1.3
209.04478	29.1
211.07472	0.7
213.05574	1.2
215.07059	1.1
225.05447	1.4
229.05020	1.1
229.08476	0.8
239.07133	0.8
242.05759	1.2
243.06531	1.1
253.04985	8.4
257.04404	2.0
260.02954	0.7
267.06674	3.0
267.16177	1.0
270.05225	2.5
271.09583	1.2
275.09128	1.7
285.03989	2.0
285.07565	5.8
285.16995	1.2
288.05368	4.0
303.05011	16.1
303.08612	100.0
303.23062	2.5
304.08948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25295	0.3
55.01871	0.3
55.05503	1.3
57.03416	0.4
60.02927	0.2
65.03661	0.3
65.03944	3.5
67.05513	2.5
68.99776	1.1
69.03424	0.7
69.07078	1.8
70.62479	0.2
70.62821	0.6
71.04982	0.5
72.13902	0.2
76.36443	0.2
79.05484	1.7
81.07062	4.6
83.04989	0.3
83.08615	0.5
91.05496	1.9
92.05019	3.9
93.03395	0.2
93.07060	2.7
94.06567	0.7
95.04963	1.0
95.05515	0.3
95.08620	2.9
96.08113	0.4
97.02895	2.4
97.06556	1.3
97.10179	0.7
103.05495	0.4
105.03433	0.2
105.07040	4.4
107.04926	0.6
107.07343	0.3
107.08593	2.2
109.06532	0.3
109.10185	1.6
110.06040	0.3
111.04451	0.3
111.08091	0.5
115.05470	0.5
117.07046	0.4
119.04941	0.4
119.08586	3.2
120.04488	1.4
121.06502	0.8
121.10151	2.4
122.03639	0.7
122.09647	0.5
123.04443	1.1
123.08041	0.4
123.11732	0.9
124.11266	0.3
127.03920	0.3
128.06186	0.3
129.06998	0.3
130.04144	0.3
131.04915	0.4
131.08586	0.9
133.06525	0.4
133.10172	1.7
134.03661	1.0
134.05984	0.4
135.04050	0.9
135.11691	1.2
137.02356	1.3
137.05984	9.5
138.05516	23.9
138.09142	10.7
140.01022	0.6
141.01299	0.3
141.06953	0.3
143.08551	0.8
144.08119	0.6
145.02855	0.4
145.06505	0.5
145.09059	0.3
145.10104	1.4
146.06046	0.3
147.04530	0.3
147.11685	3.9
148.03934	2.7
149.05995	0.7
149.09572	0.4
149.13264	0.5
150.09174	1.5
151.07629	0.4
152.03448	0.4
152.06265	0.4
153.01855	1.7
153.05492	0.7
153.06998	0.3
157.10138	1.0
158.09642	0.3
159.11713	1.4
160.07516	0.3
160.11154	0.3
161.05963	0.3
161.13287	1.0
163.03922	2.1
163.05099	0.6
163.07608	0.4
163.11172	0.4
164.07088	0.5
165.01854	0.8
165.05693	0.3
165.07030	1.1
165.12808	0.8
166.05014	40.0
167.07063	0.6
167.08510	0.3
168.00517	1.5
168.08105	0.3
169.00972	1.1
169.08815	0.5
170.01772	0.3
171.10373	0.3
171.11661	0.4
173.06024	0.7
173.13248	0.7
174.09138	0.5
175.11148	0.3
175.14879	0.5
176.07045	0.4
176.10661	0.5
177.05475	0.8
177.07339	0.3
177.11140	0.4
177.12778	0.5
181.06403	0.4
181.08772	0.4
182.47934	0.3
183.02879	0.3
183.07990	0.6
184.11250	1.6
186.01653	0.5
186.12831	0.7
187.01939	0.8
187.07494	0.4
187.11156	0.3
187.14897	0.5
189.12711	0.5
191.06963	0.3
193.04994	0.3
194.09711	0.5
196.09940	1.0
198.09143	0.7
199.09923	0.4
200.09361	0.5
200.10971	0.6
201.05478	1.7
201.10298	0.6
201.13968	0.6
201.16302	0.3
202.12242	0.4
204.04214	0.3
205.10773	0.5
206.11438	0.4
207.13795	0.4
211.07521	0.5
211.12306	1.8
211.14626	0.3
212.10719	4.2
213.13898	0.6
214.12335	3.8
219.06535	5.5
219.08574	0.4
224.09395	0.3
228.08980	0.7
229.04990	1.6
229.09735	1.2
229.13257	3.0
230.05389	0.3
230.11842	2.5
232.13347	3.3
235.07097	0.3
239.07515	0.3
239.11824	2.0
240.10213	2.0
241.11136	0.4
241.13423	1.1
242.11880	3.8
243.11331	0.9
246.04910	0.7
247.05876	0.5
256.08478	2.9
257.04453	1.2
257.09247	2.0
257.12897	12.0
258.11313	0.7
259.12006	1.1
259.14456	0.5
260.03152	0.4
260.12885	3.0
267.11319	2.8
267.16013	0.4
267.21100	0.5
268.09680	1.0
271.09763	1.0
272.11575	12.3
274.09491	6.7
275.10318	1.5
275.13931	6.4
285.03860	0.6
285.07596	0.6
285.12369	17.7
285.17166	0.8
285.22241	0.8
286.10767	1.0
287.04651	1.2
288.05313	4.9
302.03775	1.7
303.04819	27.2
303.07904	6.3
303.13403	100.0
303.22977	6.8
304.13663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01879	0.4
55.05527	0.2
55.19933	0.1
58.44657	0.2
58.70555	0.1
65.03943	0.6
67.01861	0.2
67.05499	0.4
68.99794	1.9
69.07037	0.2
69.46648	1.2
69.89311	0.1
81.03428	0.3
81.07087	0.2
83.81951	0.1
91.05459	0.2
93.03416	0.6
95.04968	0.8
95.08613	0.2
103.05515	0.2
105.03403	0.3
105.07060	0.3
107.04977	0.5
109.02921	1.0
111.00836	1.8
111.33392	0.2
117.07011	0.3
119.04968	0.2
119.08600	0.3
121.02891	1.8
121.10233	0.2
123.04457	0.6
127.03917	0.2
131.04941	0.5
133.10167	0.2
135.04424	0.5
137.02367	6.9
137.03412	0.4
137.05974	1.3
138.09222	0.1
139.87634	0.2
145.06514	0.5
149.02386	1.1
153.01854	9.6
155.04945	0.9
159.04451	0.2
161.06013	0.6
163.03951	1.3
165.01865	3.3
166.02628	0.4
166.05032	0.2
167.07021	0.2
173.06013	1.3
177.05534	0.3
179.03476	0.3
183.02902	1.5
183.04451	0.9
187.03976	0.9
191.03497	0.4
195.02911	0.2
201.05496	4.1
204.04170	0.2
204.07413	0.2
205.05029	0.5
211.03899	0.3
213.05534	0.3
219.02934	0.3
219.06470	0.4
228.04192	0.6
229.04988	8.3
232.03629	0.3
239.03424	0.5
246.05252	0.2
247.06140	1.2
257.04483	4.8
257.12863	0.3
274.04721	1.3
275.05478	0.3
285.04016	2.4
285.12225	0.2
288.05399	0.3
303.05029	100.0
304.05353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
65.03944	1.5
67.05505	2.2
68.99795	1.6
69.03442	1.2
69.07071	1.9
69.54208	3.4
71.03564	0.6
79.05498	1.7
81.03456	0.7
81.07070	2.7
83.04994	0.7
83.08627	0.6
89.03982	0.6
91.05489	3.3
93.03426	2.0
93.07062	2.2
94.04222	0.6
95.04990	1.7
95.08624	3.9
97.06542	2.1
98.97624	0.7
105.07047	2.7
107.04932	1.2
107.08624	2.6
109.02904	0.9
109.10189	1.8
111.00764	0.9
111.04456	1.8
115.05516	0.6
117.07006	0.9
119.04980	3.0
119.08611	2.9
120.95440	0.5
121.02909	0.9
121.06500	0.6
121.10155	1.9
122.03661	0.9
123.04444	5.1
123.11726	1.3
125.06017	2.3
126.77595	0.6
131.04938	0.8
131.08578	1.2
133.10164	2.0
135.11711	1.2
137.02333	2.7
137.04974	0.6
137.06000	15.5
139.00232	0.8
145.02902	0.6
145.10197	1.3
147.04478	1.2
147.11696	2.0
151.03902	6.7
151.04958	0.6
151.07565	1.0
153.01843	4.4
153.05431	3.1
155.08553	0.8
156.00208	0.7
157.00235	1.2
157.06447	0.5
159.08000	0.7
159.11736	1.0
161.13272	1.1
163.03998	1.0
163.07622	0.8
163.11162	0.6
165.01895	1.0
168.00586	1.2
169.00954	1.0
170.01065	2.2
171.11673	0.8
173.04747	0.8
173.73839	0.6
175.14847	0.6
179.03445	5.5
183.08179	1.1
184.05231	0.9
186.05847	0.7
188.02124	0.8
189.09363	0.6
197.06085	0.9
199.03920	0.7
201.05518	1.4
211.07643	1.2
213.05383	1.3
217.04109	0.8
222.52315	0.7
229.04991	2.4
241.04991	1.0
242.04990	1.5
243.05701	1.7
243.10371	0.9
253.04984	1.9
257.04520	7.4
257.07330	0.9
259.05222	1.2
260.05923	2.4
269.04279	0.7
270.04611	1.1
271.05148	2.3
271.09625	1.1
275.04477	1.7
275.09348	0.7
285.03983	5.5
285.07642	1.7
285.22211	0.8
287.04886	7.6
288.05316	69.2
303.04800	23.3
303.07809	100.0
303.23242	4.6
304.07922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.77324	0.2
53.03942	0.2
55.01863	0.2
62.36819	0.1
65.03944	0.4
67.05492	0.5
67.39240	0.2
68.99791	2.1
69.03416	0.2
70.91277	0.2
71.01388	0.2
71.61961	0.2
76.13358	0.2
79.05487	0.2
81.03429	0.5
81.07037	0.3
86.80621	0.2
88.70985	0.2
91.05450	0.2
91.41475	0.2
93.03389	0.7
93.07041	0.4
95.04964	1.0
95.08586	0.3
105.03359	0.2
105.07042	0.6
106.86659	0.2
107.04941	0.2
109.02869	0.7
111.00809	1.5
117.06992	0.2
119.08575	0.2
121.02880	1.9
123.04423	0.4
127.03918	0.5
131.04944	0.5
131.65501	0.2
133.10164	0.2
135.04424	0.5
137.02351	6.4
137.03401	0.4
137.05986	1.4
137.24446	0.2
142.76358	0.2
143.04918	0.2
145.06497	0.6
148.85313	0.2
149.02344	0.7
149.05972	0.2
153.01834	9.3
155.04926	0.6
161.05966	0.8
163.03931	1.4
165.01848	3.7
166.02626	0.5
167.06996	0.3
173.06035	1.2
177.05426	0.2
179.03423	0.5
183.02896	1.5
183.04440	0.8
187.03957	0.7
191.03435	0.3
195.02885	0.4
201.05469	4.3
205.05002	0.3
211.04007	0.3
219.02934	0.3
219.06485	0.6
228.04172	0.4
229.04964	8.8
239.03487	0.3
245.04424	0.2
247.06030	1.3
257.04453	4.6
257.12955	0.4
274.04803	1.2
275.05457	0.3
285.03961	2.4
285.12180	0.3
288.05307	0.7
303.04993	100.0
304.05228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01868	0.3
65.03920	0.4
67.01855	0.4
67.05498	0.3
68.99452	0.1
68.99791	1.8
69.03426	0.2
70.90456	0.2
71.01329	0.1
81.03412	0.5
91.05500	0.1
93.03425	0.6
95.04979	0.8
103.05475	0.1
105.03394	0.3
105.07052	0.2
107.04947	0.2
109.02874	0.9
110.03658	0.1
111.00805	1.9
111.46304	0.1
115.05424	0.2
117.07011	0.3
121.02872	1.8
123.04424	0.4
127.03933	0.5
129.07007	0.2
131.04929	0.3
133.02808	0.2
135.04407	0.4
137.02351	6.8
137.03412	0.5
137.05920	0.3
145.02818	0.3
145.06493	0.6
147.99223	0.1
148.51390	0.1
149.02344	0.7
151.03993	0.1
153.01834	8.9
155.04909	0.7
157.06459	0.3
159.04468	0.2
161.05966	0.7
163.03925	1.1
165.01849	3.4
166.02618	0.4
173.02322	0.2
173.06006	1.2
177.01886	0.1
177.05446	0.2
179.03395	0.4
183.02893	1.3
183.04442	0.8
187.03928	0.8
191.03394	0.4
191.06969	0.2
195.02861	0.5
201.05481	4.3
205.05005	0.3
207.02998	0.2
211.03845	0.4
213.05534	0.2
215.03484	0.2
219.02942	0.2
219.06476	0.6
228.04172	0.5
229.04967	8.5
230.05331	0.1
232.03772	0.2
233.04408	0.1
239.03603	0.5
245.04536	0.2
246.05293	0.2
247.06033	1.1
257.04471	4.6
258.05127	0.2
261.03809	0.1
267.03040	0.1
274.04749	1.4
275.05533	0.3
285.03973	2.5
288.05338	0.3
303.04996	100.0
304.05301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27578	0.2
65.03925	0.4
66.63138	0.2
67.01869	0.3
68.99796	2.1
69.03434	0.3
70.54318	0.2
70.90263	0.5
81.03426	0.6
93.03414	0.7
95.04960	0.9
109.02892	1.0
111.00830	2.0
115.05450	0.2
117.07007	0.4
121.02891	2.0
123.04430	0.6
127.03999	0.4
131.04938	0.5
135.04402	0.5
137.02373	7.2
137.03404	0.5
144.24402	0.2
145.06522	0.6
149.02357	0.7
153.01855	10.3
155.04907	0.8
155.06044	0.3
157.06503	0.2
159.04501	0.2
161.06026	0.7
163.03934	1.6
165.00555	0.3
165.01871	3.6
166.02632	0.4
173.05972	1.4
177.01866	0.4
177.05518	0.2
179.03358	0.2
183.02921	1.3
183.04459	0.8
187.03922	1.2
191.03436	0.5
193.72305	0.2
195.02945	0.5
201.05504	4.4
205.04987	0.5
207.02905	0.2
211.03976	0.3
213.05519	0.6
215.03394	0.2
215.05952	0.2
219.06573	0.5
228.04298	0.4
229.05006	10.2
233.04507	0.2
239.03471	0.5
245.04692	0.3
247.06042	1.4
257.04486	5.5
257.07092	0.4
265.53891	0.2
271.05170	0.2
274.04837	1.6
275.05374	0.3
285.03976	2.8
286.04639	0.2
288.02408	0.2
303.05035	100.0
304.05444	1.0
313.91968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.36678	0.2
55.01878	0.2
61.83032	0.2
65.03943	0.4
67.01863	0.2
67.05493	0.2
68.99796	2.1
69.15110	1.3
69.91968	0.2
81.03432	0.8
89.72866	0.2
91.05440	0.2
91.15547	0.2
93.03404	0.7
95.04951	0.6
98.21133	0.9
109.02919	1.0
111.00817	1.7
113.13480	0.2
115.05431	0.2
117.07021	0.4
119.04980	0.2
121.02875	2.1
123.04427	0.7
127.03947	0.4
131.04936	0.3
135.04420	0.4
137.02359	7.8
137.03471	0.7
138.15831	0.2
145.02844	0.3
145.06471	0.6
147.04358	0.2
149.02327	1.0
153.01834	10.1
155.04898	1.0
157.06526	0.2
159.04449	0.4
160.79883	0.2
161.06000	0.6
163.03975	1.3
165.01849	3.7
166.02599	0.5
173.02396	0.2
173.05997	1.5
177.01869	0.2
179.03413	0.4
183.02895	1.6
183.04445	1.0
187.03918	1.1
191.03442	0.2
194.02095	0.3
195.02911	0.5
201.03787	0.3
201.05493	4.4
205.04961	0.5
207.03015	0.2
211.03886	0.3
213.05374	0.2
215.03479	0.3
219.02998	0.3
219.06599	0.6
228.04182	0.6
229.04976	9.1
232.03786	0.2
239.03416	0.6
245.04585	0.3
246.05406	0.2
247.06076	1.2
257.04462	4.8
274.04736	1.6
278.59711	0.2
285.03970	2.5
303.05008	100.0
304.05414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.1
55.01871	0.4
65.03943	0.5
66.39838	0.1
67.01852	0.4
67.05495	0.2
68.99796	1.7
69.03422	0.2
77.75835	0.1
81.03415	0.6
93.03408	0.6
95.04957	0.8
98.20723	0.3
107.04946	0.1
109.02873	0.9
111.00818	1.7
115.36295	0.2
117.07013	0.3
119.04990	0.2
121.02882	1.7
123.04412	0.5
127.03887	0.4
131.04935	0.4
133.06509	0.2
135.04396	0.6
137.02356	7.2
137.03409	0.6
145.02896	0.2
145.06491	0.6
149.02335	0.8
153.01843	9.7
155.04912	0.8
157.06514	0.3
159.04436	0.3
161.06010	0.6
163.03925	1.2
165.01849	3.8
166.02669	0.5
167.13625	0.2
173.02583	0.2
173.05980	1.4
177.01926	0.3
177.05566	0.2
179.03394	0.4
181.43375	0.1
183.02887	1.4
183.04440	0.8
187.03918	0.7
191.03398	0.3
195.02896	0.2
201.05475	4.4
205.05017	0.3
207.02818	0.2
211.03902	0.3
219.02940	0.3
219.06537	0.6
228.04111	0.8
229.04980	8.5
239.03491	0.3
246.05223	0.3
247.06116	1.2
257.04483	4.8
274.04773	1.5
275.05533	0.3
285.03915	2.4
303.05005	100.0
304.05386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0503
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.00582	0.2
53.50131	0.2
55.01869	0.6
55.05512	0.5
58.08432	0.2
59.82926	0.2
63.92145	0.2
65.03930	0.5
67.01854	0.3
67.05493	0.8
68.99796	1.9
69.03437	0.5
69.07056	0.7
69.73447	0.6
69.73867	0.7
71.04997	0.3
73.03897	0.3
79.05470	0.5
79.87224	0.2
81.03405	0.7
81.07060	1.3
83.08604	0.3
85.06513	0.3
85.68351	0.2
91.05506	0.3
93.03401	0.6
93.07042	0.6
95.04983	1.6
95.08607	0.5
97.06516	0.4
105.07037	1.0
107.04948	0.5
107.08573	0.7
109.02899	1.3
109.10168	0.7
111.00822	1.8
115.05526	0.2
117.03300	0.3
117.07023	0.5
119.08603	0.6
121.02879	1.9
121.06502	0.4
121.10159	0.6
122.03604	0.3
123.04456	0.7
127.03931	0.6
129.07033	0.3
131.04996	0.4
131.08574	0.5
133.10100	0.5
134.03749	0.3
135.04459	0.4
135.08041	0.3
135.11690	0.4
137.02370	7.2
137.03409	0.5
137.05997	5.7
138.79645	0.2
141.01744	0.3
143.08577	0.4
145.02827	0.4
145.06482	0.5
145.10094	0.4
147.04402	0.3
147.11705	0.4
149.02362	0.8
151.07523	0.4
153.01854	8.9
153.07045	0.3
155.04909	0.8
161.06000	0.6
163.03946	1.0
163.07544	0.3
165.01857	3.3
165.07007	0.3
166.02620	0.6
170.01060	0.4
171.11717	0.3
173.05998	1.0
177.05475	0.4
179.03424	0.6
183.02914	1.5
183.04486	0.7
183.08057	0.4
187.03931	0.7
189.16452	0.3
191.03378	0.4
195.02914	0.3
201.05470	4.2
205.04868	0.3
211.03952	0.5
211.07674	0.3
219.06596	0.9
225.05484	0.5
228.04213	0.7
229.04982	8.4
233.04524	0.2
239.03427	0.2
241.05013	0.3
245.04483	0.3
247.06029	0.8
257.04495	4.7
260.03238	0.5
260.05908	0.3
271.09714	0.3
274.04825	1.4
275.05521	0.5
275.08960	0.3
285.04071	2.8
285.07404	0.4
285.12213	0.8
287.04706	0.4
288.02655	0.4
288.05377	2.8
303.05014	100.0
303.07739	3.6
303.17670	1.4
303.22882	1.7
304.05389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
60.79383	0.2
60.82611	0.2
67.02505	0.2
71.49931	0.3
89.73610	0.2
98.97598	5.8
101.00900	2.3
112.38730	0.2
116.98626	2.6
119.01153	0.4
119.01931	5.3
119.59663	0.2
120.97881	0.2
122.97800	0.5
134.99713	1.3
137.02939	0.5
140.98779	1.1
142.03488	1.0
158.99910	3.4
160.04567	0.4
165.11028	0.2
171.69217	0.3
177.00974	13.0
178.01114	0.6
182.99892	0.4
196.90985	0.3
196.94539	1.4
201.00957	2.1
202.93359	2.1
204.93408	0.4
205.95192	0.4
213.93919	0.4
214.92128	0.4
214.95580	2.4
217.04121	1.1
217.95198	0.4
218.03639	0.9
218.94974	0.4
219.02034	13.4
220.02257	0.3
220.94479	3.2
221.01724	1.3
222.94461	0.3
223.01514	1.2
225.00867	1.3
226.95578	0.9
227.45656	0.3
227.95518	0.9
228.45372	0.4
229.46014	0.3
230.45747	0.5
232.96553	0.5
234.96588	0.2
235.96075	0.3
236.94131	0.3
236.96234	0.3
237.97461	0.3
238.46419	0.9
238.95576	29.8
239.46228	1.1
239.95694	1.3
240.96783	0.7
243.02022	6.6
243.96161	0.7
245.92958	0.5
246.94537	0.7
247.44528	0.6
248.46272	0.5
248.96196	0.5
249.97197	1.1
250.96873	0.7
253.91742	0.4
254.93282	0.5
255.95151	2.0
256.45142	1.2
256.96652	100.0
257.43692	0.6
257.96738	2.7
258.45374	0.5
258.96542	1.2
258.99905	0.5
259.45261	0.4
261.03091	55.5
261.97195	11.0
262.03119	2.5
263.03400	0.3
264.95499	0.9
266.03571	0.3
267.45929	1.2
267.95502	1.3
268.45468	1.0
268.94836	0.5
272.94513	0.6
273.94574	0.3
274.94214	2.8
274.97668	19.0
275.97842	0.4
276.93250	0.3
276.95813	0.3
277.01028	0.3
277.46033	0.5
277.95508	0.3
279.98248	55.2
280.45340	0.4
280.98303	1.0
284.04572	1.2
284.98770	2.1
288.96185	0.5
289.45847	0.4
290.94992	0.8
291.44873	0.3
291.51852	0.3
292.95190	1.1
297.96051	0.5
297.99295	5.1
298.97766	0.9
302.97116	0.5
302.99887	4.2
303.04303	1.2
309.96066	0.3
315.95941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84838	0.2
71.38487	0.3
81.86638	0.2
82.99865	0.3
98.97594	1.0
101.00883	2.7
116.98659	0.3
119.01929	3.5
134.99837	0.3
137.02971	0.4
140.98837	0.6
158.99907	2.1
165.99652	0.2
175.03094	0.2
177.00960	8.8
178.01016	0.4
179.00771	0.2
182.99863	1.0
200.02692	0.2
201.00957	3.0
217.04092	2.3
219.02023	16.3
220.02116	0.8
221.01738	0.5
221.72673	0.2
225.00864	2.6
234.02919	0.2
242.03625	0.2
243.01994	12.2
244.02135	0.6
261.03070	100.0
262.03201	4.5
263.03342	0.6
266.03543	0.2
279.00775	0.5
279.98074	0.2
280.10760	0.1
282.99896	0.3
284.04697	1.7
284.99835	2.3
285.04919	0.4
285.99850	0.2
288.05142	0.4
290.27625	0.1
301.01007	0.2
303.00815	2.2
303.04327	2.7
303.08035	0.2
310.23276	0.1
320.97836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.90305	0.8
57.03423	2.4
58.05637	0.7
61.02918	2.1
65.03938	1.6
67.05510	26.8
69.03434	14.7
69.07077	11.3
69.66834	2.3
69.67252	2.3
69.93929	0.8
73.02887	1.6
81.03429	4.3
84.04502	1.0
84.08154	1.5
85.02913	36.1
86.09708	1.3
88.39478	0.8
94.06554	1.2
95.04977	44.8
97.02901	29.3
99.04479	1.5
103.03954	4.4
109.02899	7.4
112.07611	34.3
113.06004	4.3
119.09275	0.8
122.06017	1.8
124.07594	1.5
127.03924	7.9
136.07600	2.1
140.07077	100.0
145.05008	2.5
152.07051	1.2
154.08624	5.8
168.00560	3.5
169.00966	1.8
178.08623	2.4
182.08144	60.4
185.05566	0.9
191.03458	0.9
206.08121	12.8
213.05096	1.1
217.01286	1.1
218.08104	2.0
236.09244	1.9
241.04521	0.9
245.02147	0.9
248.09209	9.3
258.04861	0.8
266.10269	1.0
269.04010	0.9
284.11331	1.0
286.04364	7.8
287.05087	38.4
302.07425	44.3
302.12463	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01863	1.1
57.03431	1.9
61.02925	2.5
66.35521	0.7
67.05514	27.6
67.81850	0.8
69.03442	13.8
69.07075	8.2
69.36789	5.7
71.04987	1.3
73.02921	2.3
81.03437	3.8
85.02918	33.4
91.06615	0.7
94.06628	0.8
95.04984	46.3
97.02904	30.9
99.04470	1.3
103.03957	3.2
109.02899	6.1
112.06838	1.7
112.07619	31.0
113.06004	3.4
122.06039	2.2
123.04444	1.7
124.07650	1.8
127.03943	6.3
136.07610	1.8
140.07085	100.0
145.04996	3.2
154.08662	5.0
178.08665	3.0
182.08150	55.3
206.08141	12.7
218.08209	2.5
236.09099	1.8
248.09207	6.2
266.10385	0.9
276.48410	0.8
284.11383	1.5
287.04953	0.8
302.12344	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.12287	1.3
55.01879	1.4
57.03429	5.3
61.02922	4.7
67.05510	7.1
67.90066	1.5
69.03435	13.4
69.07042	1.4
70.06586	2.3
70.81975	2.2
72.08164	15.8
73.02929	3.2
79.05479	4.7
81.03431	7.5
81.07056	9.0
83.01340	1.5
85.02914	98.7
86.09719	4.4
91.03965	1.9
92.63528	1.2
94.06581	1.9
95.04963	5.7
97.02904	44.6
97.06551	2.5
99.04436	2.3
103.03956	8.2
108.08125	13.9
109.02882	11.6
109.06545	1.6
110.06068	2.8
122.06054	9.5
125.06005	8.0
126.05553	8.4
126.09180	3.6
127.03921	17.2
128.07082	2.6
136.07599	19.1
140.07079	49.8
143.11829	12.6
145.04964	14.6
148.13712	1.3
150.09164	4.5
152.07079	19.9
154.08643	7.0
163.06064	4.1
164.07094	25.9
168.00542	2.2
169.00902	2.3
171.11240	4.4
178.08650	18.6
182.08144	100.0
206.08147	44.2
218.08144	4.7
236.09187	4.1
248.09215	11.0
286.04373	4.9
287.05096	23.0
302.07419	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	302.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44820	0.2
55.01872	0.3
56.02650	0.2
56.51625	0.1
62.37430	0.1
66.01079	0.2
68.99795	5.1
69.66806	0.7
69.67220	0.2
70.00572	0.3
71.01351	0.4
71.36777	0.1
78.04710	0.3
79.05473	0.2
81.07043	0.2
84.02126	1.2
87.56297	0.1
88.63902	0.2
93.07079	0.2
95.08598	0.3
98.00044	0.2
99.00845	1.0
105.03406	0.4
107.04974	0.2
108.02110	0.2
111.04442	1.6
112.01585	1.7
115.05488	0.2
116.02608	0.2
116.06243	0.5
118.04162	0.2
121.02905	0.2
122.02757	0.4
123.00782	0.2
125.06025	0.3
126.04689	0.5
127.00285	1.0
131.04953	0.4
134.03642	12.3
135.04393	0.5
135.11668	0.3
136.01550	0.3
137.02350	0.5
139.00267	0.4
140.01051	4.3
144.05693	0.7
145.10127	0.2
147.04427	0.2
148.05209	0.2
149.05940	0.2
150.03053	0.2
153.01828	0.4
154.04199	0.3
154.99835	0.2
155.04945	0.2
158.03716	0.2
161.02438	0.2
163.11258	0.3
168.00555	15.7
169.01337	6.1
171.04451	0.5
172.05188	1.0
175.03899	0.3
176.04736	0.3
176.07109	0.6
176.10712	0.9
181.12233	1.9
182.03685	0.2
183.04398	0.2
186.01611	6.9
187.02106	0.2
187.03865	0.3
189.05452	0.4
190.06282	0.2
199.03932	0.7
200.04677	2.3
200.06415	0.2
201.05513	0.3
203.03481	0.5
204.04083	0.2
204.10234	0.3
205.10934	0.8
210.03030	0.2
211.03963	0.3
217.05009	0.6
218.05775	2.3
227.03476	0.7
228.04221	1.5
229.04985	0.9
245.04474	5.9
246.05254	2.5
247.67278	0.2
255.02856	0.4
256.03674	2.4
257.04465	2.1
259.05579	0.3
260.03000	0.2
273.04007	1.1
273.13538	0.2
274.04712	1.7
284.03107	1.1
285.03848	0.9
286.04471	1.3
287.05090	5.8
301.03452	11.4
301.74777	0.2
302.04236	100.0
302.07294	6.8
302.17426	2.3
302.74603	0.2
303.04617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01875	1.5
55.05507	1.5
57.03426	5.5
61.02922	5.1
65.03943	1.9
65.05483	1.4
67.05515	9.0
68.99805	1.8
69.03436	13.6
69.45928	3.7
69.46339	5.0
72.08164	17.2
73.02898	4.1
79.05492	5.4
81.03436	7.7
81.07059	5.1
82.06567	1.7
84.08125	1.7
85.02913	90.2
86.09698	5.8
91.05495	1.5
94.06587	2.1
95.04982	5.9
97.02901	42.6
99.04438	2.5
103.03951	7.4
108.08128	12.9
109.02895	13.6
109.06498	2.0
122.06057	7.2
125.05978	4.9
126.05534	7.7
126.09131	4.6
127.03922	21.1
127.91107	1.2
128.07088	9.6
132.10182	1.6
134.06039	1.3
136.07593	20.1
140.07077	49.0
140.34871	1.1
143.11821	10.2
145.04979	16.1
150.09154	6.1
152.07069	19.6
154.08647	8.2
157.78300	1.4
163.05989	2.2
164.07071	22.8
168.00554	6.2
171.11320	7.1
178.08647	18.0
180.80505	1.1
182.08147	100.0
202.08568	1.7
203.13934	1.7
206.08134	41.0
212.04565	1.5
218.08191	4.0
220.09947	1.3
230.08087	1.8
236.09157	6.1
248.09178	11.6
266.10208	1.6
278.21902	1.3
286.04355	10.4
287.05072	45.5
295.67908	1.2
302.07416	49.2
302.15912	2.0
303.04935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01870	0.2
57.03426	0.2
60.12104	0.2
64.07687	0.2
69.03423	1.6
70.06596	1.3
71.01688	0.3
71.02028	0.3
73.02937	0.3
74.09711	0.8
75.04465	0.2
78.03465	2.7
80.05018	2.2
81.03426	2.2
82.47935	0.2
83.76992	0.2
85.02912	3.4
86.09714	1.1
89.06039	0.6
96.04510	1.2
97.02869	0.9
99.04454	0.7
100.67392	0.2
106.02924	12.1
108.11649	0.2
109.02877	2.0
116.07100	1.8
120.04543	0.2
124.03962	100.0
125.04305	0.3
127.03905	2.0
132.26947	0.2
138.05522	1.9
145.04915	0.4
157.13379	0.4
168.00610	0.3
172.08667	0.2
185.12859	0.3
232.06076	0.2
250.07126	7.0
268.08191	4.1
283.17612	0.5
285.04022	0.4
286.04736	2.9
293.53525	0.2
300.10797	25.6
301.07089	2.7
301.10364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67435	0.3
60.24061	0.2
65.39064	0.2
68.99804	0.6
69.40254	0.6
69.40662	1.6
73.35233	0.3
75.81426	0.2
90.28603	0.2
92.75296	0.2
99.00777	0.3
108.02129	0.3
112.01597	0.4
119.04980	0.8
120.05737	0.7
123.70197	0.3
127.00298	0.4
128.06232	0.5
131.04900	0.3
131.93846	0.3
132.05779	0.3
136.01588	0.3
140.01105	0.5
147.04466	0.9
151.00339	0.6
156.05701	1.0
160.05229	1.2
161.06046	0.3
168.00563	3.6
171.04453	0.7
184.05188	2.3
186.01631	0.6
187.03993	0.6
188.04729	0.6
202.06258	0.3
212.04796	0.8
213.05527	1.2
215.03447	1.9
216.04272	0.8
229.05029	0.8
234.05302	0.7
240.04204	2.0
241.04996	3.3
257.04556	2.6
258.05310	2.5
268.03635	0.8
269.04486	4.0
285.04016	2.8
286.04761	77.7
287.05139	0.9
300.06439	0.3
301.07104	100.0
302.07507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59525	0.3
65.27904	0.4
68.99784	1.2
71.24973	0.3
71.25320	0.8
93.28645	0.4
100.12967	0.4
118.04203	0.4
119.04989	0.5
124.01517	0.6
131.04901	0.7
134.03616	3.0
140.01027	0.9
152.01054	1.2
153.01840	6.7
159.04437	0.5
168.00558	4.1
171.04436	0.6
184.05176	0.8
185.05972	0.6
186.01622	0.8
187.03969	0.5
199.03934	0.9
201.05524	0.7
202.06258	0.7
212.04732	1.1
213.05521	2.4
229.04935	5.4
230.05716	2.2
240.03978	0.5
241.04970	8.7
245.08084	0.8
257.04456	0.9
258.05258	2.1
269.04465	6.2
285.03958	7.1
286.04736	42.7
301.07083	100.0
302.07376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.85195	0.2
57.03428	0.4
60.88297	0.2
68.99784	1.3
70.06596	0.5
71.04977	0.3
73.35247	0.3
81.03406	0.3
81.07053	0.4
85.02887	0.3
86.09704	0.3
91.05568	0.3
93.07022	0.3
95.08615	0.2
96.58202	0.2
97.02876	0.4
99.04464	0.3
107.08642	0.3
115.05394	0.2
116.07072	0.3
118.04148	1.8
119.04945	0.5
121.02883	0.4
121.10130	0.3
126.58022	0.2
133.02846	0.2
133.10149	0.3
135.04430	0.2
135.11734	0.2
137.02335	2.3
138.09200	0.3
139.07535	0.3
140.01074	1.6
147.04419	0.4
157.06482	0.8
159.04390	0.4
165.01854	2.5
166.04990	0.7
166.79004	0.2
167.07155	0.3
168.00549	9.1
169.01315	0.8
169.06465	0.3
171.04388	0.3
173.48288	0.2
175.03976	0.4
181.06494	0.5
183.02887	0.6
184.05211	1.1
185.05978	0.4
186.01605	3.8
187.03879	0.5
188.04674	0.5
189.05473	0.3
197.06012	1.1
199.08647	0.2
199.47311	0.2
201.05560	0.3
211.07535	0.3
212.04655	1.4
213.05464	3.3
215.03487	0.4
225.05371	0.3
227.06914	0.4
227.11716	0.3
229.04997	1.1
239.07028	0.5
240.04195	1.7
241.04935	3.8
245.07956	0.3
255.06404	1.2
255.11217	0.4
257.04532	0.8
258.05243	2.9
268.03784	1.2
269.04477	3.1
270.09940	0.4
271.10605	0.2
272.11682	0.4
273.12338	0.4
283.06137	0.5
283.10889	1.2
285.03961	11.9
286.04736	74.2
287.05078	1.0
292.85825	0.2
301.07083	100.0
302.07266	1.3
321.95609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
68.99799	1.4
69.31583	0.6
69.32008	1.1
73.35214	0.2
84.02135	0.4
112.01556	0.3
118.04161	2.4
119.04946	0.6
121.02901	0.4
128.06258	0.3
132.05760	0.3
140.01071	2.2
147.04425	0.2
153.01758	0.2
155.05026	0.2
156.05664	0.3
159.04428	0.3
160.05313	0.3
168.00565	10.3
169.01352	0.9
173.05980	0.3
184.05246	1.1
186.01622	2.6
211.03871	0.3
212.04733	1.4
213.05524	0.4
219.15324	0.2
229.05013	0.9
240.04149	2.0
241.05087	1.0
255.06555	0.9
257.04492	1.1
258.05234	2.7
268.03687	0.9
269.04483	0.8
274.56778	0.2
283.06018	0.3
285.03970	12.4
286.04755	82.3
287.05179	0.8
301.07104	100.0
302.07416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.071
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	1.2
70.54807	0.5
73.35243	0.4
81.21622	0.2
84.02119	0.4
90.47347	0.2
117.82595	0.2
118.04167	2.0
119.04968	0.4
121.02878	0.3
132.05736	0.3
140.01064	1.8
159.04420	0.3
160.05264	0.4
168.00569	11.1
169.01302	1.4
184.05260	1.3
186.01614	3.0
199.64897	0.3
211.03673	0.2
212.04744	1.2
213.05513	0.6
229.04933	1.2
240.04230	2.2
241.05003	1.0
255.06602	1.1
257.04480	1.3
258.05273	3.7
268.03778	1.0
269.04605	0.3
283.06174	0.4
285.03992	15.2
286.04764	100.0
287.05145	0.6
301.07114	99.6
302.07336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Diosmetin
Peak:m/z	Relative Intensity
68.99438	0.1
68.99792	1.5
69.40108	0.4
70.00582	0.1
77.32579	0.1
84.02116	0.2
91.05482	0.2
107.04922	0.1
108.02113	0.1
112.01581	0.3
118.04157	2.1
119.04944	0.5
120.05608	0.1
121.02863	0.3
127.00248	0.1
128.06178	0.4
131.04906	0.2
132.05701	0.2
134.03622	0.1
136.01492	0.1
140.01035	1.9
141.80666	0.1
147.04362	0.1
153.01854	0.3
155.04930	0.1
156.05701	0.3
158.03636	0.1
159.04430	0.2
160.05168	0.2
164.01277	0.1
168.00548	9.5
169.01347	0.8
169.02730	0.1
171.04372	0.1
173.05965	0.1
174.06750	0.1
184.05205	0.9
185.05898	0.1
186.01598	2.7
187.04002	0.1
188.04648	0.1
194.03532	0.1
201.05527	0.1
202.06245	0.1
210.01778	0.1
211.03850	0.1
212.04675	1.1
213.05469	0.3
227.03386	0.1
227.07008	0.1
229.05011	0.7
230.05615	0.1
240.04175	1.7
241.04930	0.8
245.08104	0.1
255.06502	0.8
257.04446	0.7
258.05264	2.4
268.03687	0.8
269.04321	0.2
283.06052	0.2
285.03949	10.5
286.04721	72.4
287.05081	0.1
301.07065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71621	0.2
64.78866	0.2
66.92318	0.2
68.99906	0.9
69.58129	1.0
71.01459	0.5
83.08710	0.2
84.68559	0.2
85.46978	0.1
89.04045	0.2
91.05584	0.3
99.00848	0.9
107.05028	0.2
118.04311	1.8
119.04961	1.3
121.03006	0.6
132.05881	0.2
134.03790	0.8
135.27614	0.2
140.01022	1.4
144.06013	0.2
147.04457	0.3
150.25955	0.2
152.01210	0.5
153.01863	1.7
154.99768	3.1
156.05817	0.2
157.06595	0.3
159.04568	0.3
167.99222	0.4
168.00548	11.0
169.01262	0.8
171.04536	0.6
184.05133	1.0
185.06047	0.4
186.01614	3.0
186.03058	0.2
199.04027	0.3
201.05562	0.3
202.06308	0.2
212.04739	1.5
213.05380	1.0
227.03421	0.3
229.04991	2.1
230.05853	0.6
240.04169	1.8
241.04953	3.2
245.08395	0.3
255.06599	0.8
257.04459	0.8
258.05237	3.4
268.03778	1.1
269.04471	2.7
273.03955	2.8
273.07193	0.3
285.03967	12.0
286.04733	80.6
287.05081	0.7
301.03613	7.5
301.07050	100.0
302.07452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
52.83403	0.2
55.24098	0.2
61.01155	4.7
69.03426	0.5
70.78661	0.4
71.01360	0.2
71.38995	0.2
75.02706	2.2
84.28406	0.2
92.26556	0.2
94.04060	0.4
97.02893	1.5
103.02168	0.4
118.37385	0.2
119.03572	0.7
136.06190	100.0
137.06581	0.2
145.03221	1.4
154.29036	0.2
163.04237	1.7
298.09695	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
50.06875	0.1
51.97102	0.1
52.49255	0.1
56.34993	0.2
63.26609	0.2
68.99809	0.2
98.21580	0.2
105.07020	0.2
111.04472	0.2
118.04175	0.4
123.00818	0.3
124.01566	0.4
132.05721	1.6
133.06471	0.5
135.04427	0.3
137.05986	0.7
139.03918	0.6
147.04439	0.3
148.05202	0.3
152.01057	0.2
153.06982	0.2
157.06555	0.2
159.08081	0.4
161.05922	0.2
163.03914	0.3
166.02625	1.2
167.03387	0.7
168.05743	1.1
169.01292	0.3
169.06551	0.2
171.04398	0.3
172.08818	0.3
176.04689	0.3
182.07265	1.2
183.08061	1.6
184.03664	1.8
185.05951	0.6
196.05202	1.1
197.05984	0.9
199.07648	0.2
200.08313	0.5
208.05182	0.2
210.06792	1.2
211.07559	3.0
212.43945	0.1
213.05478	1.2
224.04709	0.6
225.05522	0.9
227.07016	2.8
228.07788	1.5
239.07030	3.8
240.07925	0.4
241.04988	1.9
243.10188	4.9
252.04015	0.2
253.04962	0.2
255.06512	1.3
256.07321	11.2
267.06564	1.7
269.04584	0.3
270.61826	0.2
283.05994	2.7
284.06799	20.0
285.07260	0.2
299.09146	100.0
300.09479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0916
Annotation	3-Hydroxy-3',4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
59.15728	0.2
66.52635	0.2
79.05512	0.2
91.05506	0.4
95.08592	0.2
97.10144	0.3
107.04966	2.2
109.06551	0.5
117.08957	0.2
125.02431	0.3
129.07024	0.2
135.04430	1.5
137.05988	2.2
139.93837	0.2
147.04431	3.1
148.05164	0.2
153.05478	0.6
157.06551	0.5
160.05240	0.7
161.06026	0.3
165.05530	0.8
168.05750	0.3
173.05981	0.4
177.05493	3.7
182.07295	0.3
184.03719	0.3
185.05995	0.8
189.05414	0.2
190.06284	0.4
197.06015	0.5
210.06915	0.3
211.07584	0.3
213.05536	1.0
224.04842	0.3
225.39258	0.3
227.07071	0.7
227.10753	0.4
228.07938	0.3
229.01556	0.3
239.07021	0.3
241.05026	2.1
243.06645	0.5
243.10103	0.4
253.08621	0.4
255.06506	0.3
256.07303	2.2
257.04532	0.7
267.06494	1.5
268.03650	1.7
269.04565	1.5
271.06180	0.3
271.09564	0.3
274.55127	0.3
283.06042	46.8
284.06815	11.9
284.10062	0.4
299.09164	100.0
300.09415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0917
Annotation	Trichoflectin
Peak:m/z	Relative Intensity
51.47080	0.7
55.01884	1.1
67.05522	1.0
68.99801	0.8
69.07094	0.9
69.39870	5.8
71.01407	0.8
79.05530	3.2
81.03443	1.0
81.07099	1.0
91.05492	1.3
93.07062	1.2
95.04967	1.1
101.45065	0.8
103.05502	1.0
105.07079	1.1
115.05457	1.0
117.07063	2.0
123.04469	2.2
128.06253	0.9
129.07079	1.4
131.04962	1.5
131.08586	1.3
141.06978	4.5
142.07756	4.0
143.08586	1.0
145.06493	2.0
147.04451	3.4
149.06078	0.7
152.06230	6.1
153.07033	4.4
154.07809	1.3
155.08540	4.7
157.06573	1.1
157.10234	1.5
159.08055	3.6
160.05199	2.2
161.06024	1.3
165.07010	12.6
166.07796	9.1
167.08571	17.2
167.09891	1.3
168.05711	2.1
169.06546	3.3
169.10168	2.3
170.07278	3.8
171.08118	1.8
173.05984	13.4
178.07820	4.9
179.08572	30.5
180.05731	2.1
181.06496	6.1
181.10115	9.0
182.07292	2.4
183.08069	8.0
184.05251	0.8
185.06030	3.9
185.07681	0.7
185.09653	2.3
186.06804	1.1
187.07565	10.1
188.08337	51.9
189.07039	2.0
191.03410	2.0
191.08591	2.3
193.06453	5.6
194.07277	6.7
195.08089	21.6
197.06001	6.5
197.09564	5.4
198.06778	4.4
199.07581	4.7
201.05479	1.0
201.09100	1.1
203.07019	1.0
207.08070	29.0
208.08757	1.6
209.09631	12.4
210.06784	20.1
211.07556	25.2
212.08368	12.0
213.05711	1.3
213.09119	23.9
214.06224	1.1
215.39470	0.8
217.04916	0.9
219.02884	4.0
219.07979	1.1
221.06052	1.8
225.09125	100.0
226.06117	0.9
226.09575	1.2
227.07115	1.4
227.10683	11.2
229.08582	1.9
235.07539	12.3
237.05443	1.7
237.09106	4.2
238.06306	2.3
239.03413	1.7
239.07060	17.8
240.07562	0.8
241.04803	0.8
243.06462	1.4
243.10245	1.6
253.08624	27.2
254.09224	1.0
255.06436	1.1
255.10104	1.8
257.08102	19.9
263.07001	4.3
266.05640	1.1
271.06512	1.1
271.09641	17.2
281.04980	0.9
281.08121	22.8
299.05505	7.4
299.09109	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02384	0.7
53.03950	4.9
53.54909	0.3
55.05495	0.8
56.08494	0.3
59.04993	0.3
61.39373	0.3
65.03936	1.3
67.05511	1.7
69.03434	1.9
70.06608	0.6
71.01926	0.6
72.08154	0.3
77.03935	1.1
79.05502	3.7
81.03409	1.0
81.90393	0.3
83.04984	4.2
85.02923	1.8
87.00828	0.4
87.04477	1.0
88.74145	0.3
89.06039	1.6
91.05469	0.4
93.03413	1.7
94.03951	0.3
95.04974	8.5
97.02896	0.6
98.20795	0.3
103.03941	2.3
105.03400	100.0
105.04549	2.9
106.03743	0.4
107.04961	0.8
109.02875	0.3
111.04452	6.8
115.03920	0.5
121.02885	1.1
123.04442	3.6
129.05499	4.9
131.75874	0.3
133.08617	0.7
137.06088	0.3
138.09151	0.3
139.03905	3.9
147.04459	0.4
147.06564	1.9
150.07788	0.5
157.05003	2.6
159.11705	0.3
163.03972	0.6
175.06084	0.8
194.82957	0.3
251.05724	0.3
261.07748	0.3
279.08652	4.9
297.14545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
53.03949	5.2
54.94020	0.3
55.01877	0.7
55.05511	0.7
57.03421	0.4
59.05011	0.4
65.03937	1.2
66.66813	0.3
67.05508	1.7
69.03441	2.3
69.07059	0.4
70.06587	1.3
71.07909	0.6
77.03928	0.9
79.05495	2.8
81.03423	0.9
81.07067	0.6
82.06586	1.3
83.04990	4.5
83.06911	0.6
84.04496	0.5
84.08157	0.7
85.02908	1.9
86.09718	0.8
87.04460	1.1
89.06021	1.7
91.05460	0.6
93.03403	1.8
93.07047	0.4
95.04977	9.6
97.02888	1.2
98.97606	0.4
101.05959	0.4
103.03965	2.2
103.07685	0.3
105.03398	100.0
105.04543	3.4
107.04968	1.3
109.02911	0.6
109.58318	0.4
111.04450	7.0
115.03986	0.3
118.06552	0.4
119.04974	0.7
120.08075	0.6
121.02876	1.1
123.04456	3.6
124.07640	0.3
127.03945	1.1
128.07152	0.8
129.05507	5.1
131.05016	0.4
133.08598	0.9
134.06044	0.3
135.08078	0.5
136.06155	0.3
136.07587	0.5
137.05992	0.7
139.03923	3.6
145.06470	0.6
147.04436	0.9
147.06580	1.7
147.07855	0.4
150.07861	0.4
151.03943	1.0
152.04306	0.5
157.04974	3.2
162.04150	0.4
163.03923	0.8
175.03860	0.4
175.06039	1.0
177.05487	0.6
180.80733	0.3
191.03426	0.6
199.07509	0.3
204.10197	0.4
215.06996	0.5
223.31952	0.3
237.09061	0.5
247.02406	0.5
265.08682	0.7
279.08621	4.3
279.13275	0.7
279.16852	0.4
279.23209	0.5
297.11343	1.0
297.14594	1.4
297.18137	0.4
299.06223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.8
53.03951	4.2
55.01872	0.7
55.05496	0.6
56.05035	0.4
57.03431	0.3
59.05008	1.9
62.64146	0.3
65.03939	1.1
67.05504	1.6
69.03436	2.9
69.07045	0.5
69.48192	1.4
69.48609	0.5
70.06606	0.6
77.03919	1.1
79.05504	2.4
81.03428	1.1
81.07049	0.9
83.04993	4.3
84.08139	2.0
85.02900	1.4
85.06520	0.3
86.72211	0.3
87.04478	0.8
89.06042	1.9
91.05476	0.8
93.03402	1.3
93.07063	1.5
95.04984	8.3
95.08600	0.7
97.02910	0.7
103.03941	1.0
103.07585	1.3
105.03401	100.0
105.04541	3.4
105.07044	0.9
106.03721	0.5
107.04977	0.9
107.08589	0.9
109.02877	0.6
109.06528	0.5
109.10171	0.6
111.04455	7.3
111.08105	0.6
115.03905	0.4
117.03415	0.5
117.07025	0.3
117.63147	0.3
119.08583	0.5
120.08104	0.4
121.02887	1.0
121.06546	0.7
121.10139	0.6
122.36119	0.3
123.04459	3.4
123.08083	0.6
125.09560	0.3
125.84102	0.3
126.05518	0.5
129.05487	5.0
129.06961	0.3
131.04919	0.4
133.08629	0.7
135.04422	0.7
135.08104	0.3
139.03911	3.9
140.07076	0.3
145.02867	0.9
147.04411	0.9
147.06546	1.4
149.05954	0.5
149.09592	0.5
153.05492	0.4
157.04976	3.1
163.03938	0.5
165.07013	0.4
175.03967	1.2
175.06197	0.7
175.07553	0.3
177.05487	1.7
178.59149	0.3
194.07231	0.4
194.68930	0.3
219.03059	0.4
237.09259	0.7
247.02463	1.2
253.11107	0.4
255.13486	1.0
261.12219	0.4
261.14984	0.5
265.08795	1.1
279.08661	4.6
279.16190	0.3
297.03958	0.7
297.07736	0.5
297.11255	1.0
297.17883	0.6
299.06201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01881	0.8
55.05506	1.6
57.03450	0.9
59.05008	12.1
61.02929	0.9
67.05518	1.3
69.03429	2.0
69.07070	1.5
70.06590	0.9
71.01386	0.7
71.05001	2.0
71.51967	0.5
73.02923	0.8
73.06556	0.7
79.05510	1.2
81.03442	0.8
81.07066	1.8
83.04980	0.9
84.08157	1.4
85.02900	1.5
85.06580	0.6
87.04488	2.7
89.06039	100.0
91.05469	2.6
92.46748	0.5
93.07065	2.8
95.04984	1.2
95.08627	2.0
96.08130	0.5
97.02899	1.3
97.06561	0.8
99.04438	0.6
103.03989	0.8
103.07593	2.9
105.07059	2.5
107.04975	1.1
107.07079	2.8
107.08620	3.1
109.06511	1.2
109.10190	0.9
112.32896	0.5
113.06001	0.5
117.07061	1.0
119.08608	2.2
120.08159	0.8
121.06573	0.6
121.10172	1.9
122.06004	0.5
123.04334	0.4
123.08091	1.4
129.06979	0.5
130.08679	0.8
131.07043	0.6
131.08595	1.3
133.08615	49.7
135.08078	1.4
135.11674	0.9
137.09599	1.1
143.08636	0.9
145.10184	1.6
147.08031	1.0
147.10107	1.1
147.11740	0.7
149.13266	0.8
151.07683	0.6
151.09694	4.3
151.11110	0.8
155.07089	0.8
161.09657	0.6
163.11269	1.0
165.09129	0.6
165.12811	0.9
173.09660	1.5
173.13272	0.7
177.11284	7.9
177.12720	1.1
181.04889	0.9
183.08075	0.6
191.10600	0.6
195.12250	4.0
211.04266	0.5
219.13947	0.6
221.13896	0.8
233.13069	0.6
233.15282	0.6
234.11545	0.7
239.07137	0.7
239.14906	26.7
243.13800	0.7
257.07098	0.5
261.14905	1.3
268.07343	0.7
269.07947	0.8
279.13229	0.7
279.15997	1.2
297.07651	2.8
297.10876	0.6
297.16672	1.6
297.19070	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.09225	0.9
53.03938	4.1
55.01636	1.8
55.01874	20.9
55.05513	40.9
57.03439	5.1
57.07079	21.9
59.04993	1.2
65.03937	2.9
65.65138	1.2
67.05508	65.7
69.03439	6.9
69.07071	27.1
69.85693	4.7
70.06567	1.2
71.04997	7.1
71.08636	28.3
73.06546	3.4
79.05019	1.1
79.05497	35.3
81.03424	14.2
81.07060	54.8
83.04993	12.8
83.08623	20.6
85.06542	4.3
85.10176	6.7
87.04469	1.5
91.05489	27.0
93.06484	2.1
93.07050	40.2
95.04977	14.7
95.08610	38.2
97.02866	1.5
97.06538	15.2
97.10176	20.7
99.08096	24.8
105.07040	24.7
107.04939	5.4
107.08600	29.2
109.06548	5.6
109.10164	23.8
111.04432	2.5
111.08092	19.1
111.11725	1.1
113.05993	1.5
113.09633	7.9
115.05487	1.0
117.07017	4.3
119.08582	19.2
121.02863	6.0
121.03953	1.8
121.06521	1.6
121.10151	18.3
123.08094	9.1
123.11696	5.9
125.05955	1.5
125.09641	14.5
129.06992	3.3
131.08559	7.6
133.10130	15.9
135.08015	2.4
135.11696	17.3
137.05965	2.7
137.09648	8.1
137.13185	2.7
139.11165	7.5
141.12802	1.1
143.08545	4.2
145.10123	7.6
147.08112	1.6
147.11687	16.5
149.02351	100.0
149.09627	3.6
149.13269	13.5
151.11192	26.6
153.09059	1.3
153.12758	3.4
157.10100	3.2
159.11708	4.7
161.05927	1.1
161.09615	1.7
161.13255	10.2
163.11182	9.2
163.14786	3.4
165.09117	2.3
165.12761	16.4
167.10692	1.2
167.14360	1.8
171.10309	1.8
171.11705	4.8
173.13258	3.3
175.07597	2.4
175.11195	2.7
175.14850	4.2
177.16293	1.1
178.07837	1.5
179.14322	11.2
181.10066	1.1
181.12265	3.6
181.20750	1.1
185.13223	3.6
189.11234	11.1
189.12776	2.6
193.12238	1.9
193.15923	2.4
195.08102	1.4
195.11542	1.3
199.14821	1.8
203.07065	3.9
203.14363	2.1
205.08629	1.5
207.13751	2.3
209.09673	1.3
209.20065	1.0
215.18057	1.2
217.19464	1.5
221.09698	1.4
221.15402	3.0
223.11327	1.6
231.17436	1.5
231.21132	4.5
235.16948	1.5
241.19510	7.8
248.14966	1.0
249.12788	1.1
249.22119	6.6
253.08586	1.3
259.20624	11.6
277.18491	3.3
277.21646	93.5
295.05914	4.5
295.09604	5.0
295.13269	5.6
295.22696	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03949	12.6
55.01865	4.6
55.04613	0.9
55.05511	20.8
57.03444	2.1
57.07072	4.0
65.03969	1.4
67.05510	46.1
69.03429	1.4
69.07073	33.4
71.04996	2.4
71.08630	2.8
71.16686	1.9
79.05496	28.9
81.03426	54.6
81.06589	2.2
81.07062	41.5
83.04990	13.5
83.08614	7.2
83.77568	1.0
85.06538	2.3
85.10188	2.6
86.82561	0.9
88.66164	1.0
91.05490	17.5
93.07053	31.3
95.04974	32.8
95.08620	16.4
97.06526	3.7
97.10188	5.5
99.08094	2.8
105.07037	19.0
107.08605	19.0
109.06551	7.7
109.10172	12.2
109.43362	1.0
111.08096	3.9
113.09632	1.4
117.06948	2.4
119.08597	7.3
121.06530	1.2
121.10163	8.3
123.08057	2.3
123.11738	6.6
125.09659	6.4
125.36890	0.9
128.35083	1.1
129.07024	1.9
131.08580	2.1
133.10136	14.6
135.08076	2.8
135.11728	8.3
137.09595	1.5
137.13284	1.3
143.08641	1.3
145.10153	1.8
147.11693	11.8
149.09668	1.6
149.13281	6.2
151.11194	40.3
153.09146	3.4
159.11664	1.4
161.13257	10.6
163.14888	4.9
163.88860	1.1
165.12744	8.1
171.10211	2.6
171.11728	3.6
173.13304	1.9
175.11221	1.7
175.14856	3.7
177.12820	1.5
179.10564	1.4
179.14273	6.8
185.13287	2.0
189.11183	1.4
189.12778	2.9
193.12270	2.0
199.14857	1.6
200.90218	1.0
203.14262	1.4
207.13911	5.6
217.19543	2.7
221.15324	1.8
231.17557	1.4
231.21040	9.5
241.19530	6.0
249.22264	5.3
259.20551	8.8
277.21637	100.0
295.22809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	5.7
55.01876	24.9
55.05515	59.8
56.98018	1.4
57.03434	5.8
57.07083	10.8
59.04989	2.7
60.61144	1.8
62.02880	1.7
65.03935	3.0
67.05510	95.4
69.03435	6.7
69.07074	32.6
69.33533	3.9
69.33944	10.8
71.04994	5.9
71.08643	21.8
73.06556	2.8
78.34058	1.8
79.05495	53.1
81.03426	8.9
81.07062	80.2
83.04980	18.4
83.08627	36.6
85.06552	8.9
85.10161	4.4
91.05480	31.2
93.06483	3.5
93.07051	63.1
93.30548	1.7
95.04978	15.3
95.08615	47.3
97.06535	14.2
97.10180	27.9
99.08096	21.8
100.72246	1.5
101.06012	2.3
105.07038	34.8
107.04965	4.0
107.08606	35.3
109.06520	8.7
109.10159	31.7
111.08094	26.2
113.06068	1.9
113.09658	4.8
117.07031	6.1
119.08593	19.2
121.06590	3.1
121.10149	22.4
123.08059	5.9
123.11718	6.5
125.09635	24.2
125.10465	2.6
127.07594	1.6
128.30296	1.7
129.07042	5.6
131.08569	10.1
133.06509	4.6
133.10132	19.5
134.07353	2.8
135.08037	15.5
135.11697	18.9
137.09621	6.0
137.13309	2.0
139.11206	11.8
142.07791	2.6
143.08604	4.6
145.10138	7.3
147.11679	16.8
149.02390	2.0
149.09621	4.6
149.13251	14.8
151.07631	2.6
151.11185	16.7
153.12746	3.7
155.10732	1.8
157.10150	5.7
159.11719	6.5
161.13278	14.7
163.11206	5.1
163.14833	4.0
165.03658	3.9
165.12775	12.4
169.96274	1.8
171.11705	3.6
173.11780	2.5
173.13257	3.4
175.11200	4.9
175.14850	6.3
177.12787	4.9
179.14351	6.5
185.13303	2.9
189.11227	16.7
189.12778	2.6
189.16452	2.2
191.14465	1.8
193.12286	3.6
193.15871	3.1
195.13808	3.6
197.61595	1.7
199.14748	2.2
217.19380	3.4
221.15417	4.8
231.21173	2.7
235.16779	1.8
241.19432	7.6
249.22229	5.2
259.20605	14.7
277.21640	100.0
283.68954	1.7
295.06247	2.4
295.22711	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03943	6.7
53.90121	2.4
54.97832	2.3
55.01876	6.6
55.05276	2.9
55.05517	32.9
57.03438	3.3
57.07072	5.2
67.05516	61.6
69.03434	3.9
69.07068	17.4
69.61184	4.0
69.61591	12.1
71.04993	4.5
71.08636	50.5
79.05499	34.6
81.03426	17.4
81.07070	50.3
83.04976	10.2
83.08624	20.2
85.06517	3.0
85.10210	7.1
91.05500	20.6
93.07046	36.6
95.04984	12.3
95.08614	29.0
97.06540	6.7
97.10171	21.4
99.08106	41.4
105.07045	19.3
107.04955	3.4
107.08595	30.1
109.06518	4.6
109.10159	18.9
111.08087	4.6
113.09639	6.8
117.07037	7.4
119.08575	10.8
121.10153	12.2
125.09634	24.9
129.06993	2.8
131.08511	3.4
133.10130	13.5
135.08138	2.9
135.11749	12.6
137.09605	4.3
139.11186	3.0
145.10126	3.6
147.11700	12.9
147.28600	2.4
149.13255	9.5
151.11188	41.0
153.09084	3.5
153.12828	3.3
157.10051	4.0
159.11670	4.3
161.13252	18.0
163.11218	14.8
163.14897	3.4
165.12772	9.2
171.11694	4.6
173.13380	4.5
175.14760	3.9
179.14362	12.6
185.13252	4.7
185.34021	2.7
189.11255	18.1
193.77455	2.6
199.14932	3.1
216.94476	2.6
217.63330	2.7
221.15396	4.3
231.21135	3.9
241.19594	8.5
241.32065	2.6
259.20621	10.5
266.69107	2.4
277.21655	100.0
295.05859	6.4
295.19785	3.5
295.22729	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	40321-99-1
Peak:m/z	Relative Intensity
55.05511	4.7
57.07080	17.0
65.03928	0.8
69.27262	3.5
73.06546	1.1
79.05546	0.5
93.07050	0.6
107.48309	0.4
121.02883	4.3
149.02348	100.0
161.06061	0.6
167.03487	0.8
175.07571	4.0
203.07071	5.1
205.08670	1.3
221.08017	0.5
237.44931	0.5
247.18480	0.4
277.14398	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	295.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
55.01875	0.5
55.05514	0.9
57.03440	0.5
57.87456	0.2
61.02939	0.3
67.05507	0.6
69.03438	1.2
69.07076	0.4
70.06620	0.2
71.04987	0.3
71.06154	0.5
73.02940	0.4
79.05508	3.2
80.05029	0.7
81.03421	0.3
81.05812	3.5
81.07066	2.7
82.06603	0.6
83.04980	0.5
83.08604	0.4
84.08138	0.6
85.02926	1.2
85.06532	0.3
86.65684	0.2
87.04488	0.7
91.05488	0.6
93.07027	0.3
94.06582	1.0
95.04967	0.6
95.08601	0.8
96.08147	15.9
97.02900	0.9
97.06562	0.5
98.06874	0.2
99.04504	0.4
105.07021	0.4
106.06562	2.3
107.04958	0.7
107.08624	0.6
108.08141	0.6
109.02932	0.3
109.06528	1.0
109.10178	0.5
112.07619	3.7
115.03930	0.9
118.70802	0.2
120.08132	0.3
121.02946	0.3
121.06510	0.3
121.10180	0.3
124.07611	100.0
125.07970	0.3
125.73196	0.2
126.09171	1.1
133.04994	1.0
133.06526	0.4
133.10143	0.3
135.04434	0.4
136.07607	0.4
138.09212	0.5
145.05040	0.3
146.06001	0.3
147.04443	0.5
148.04807	0.6
149.13367	0.2
152.07092	0.7
154.08635	2.7
156.06612	0.4
163.07654	0.3
172.09697	4.3
232.13362	0.8
235.14372	0.3
249.07494	0.3
259.14462	3.8
260.12790	1.7
277.15515	6.0
295.06119	0.7
295.16565	6.1
298.48892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.8
55.01867	6.5
55.05510	34.2
56.41099	3.9
57.03440	4.1
57.07069	8.0
65.03965	6.7
67.05515	57.1
69.03416	7.2
69.07069	36.7
70.09715	18.8
71.04993	3.8
71.08632	16.6
77.03901	3.6
79.05499	48.7
81.03418	13.4
81.07059	80.9
83.04986	12.0
83.08648	8.9
91.05490	58.4
93.07056	86.9
95.04989	41.8
95.08615	69.6
97.06548	24.3
97.10174	4.7
99.08104	10.0
105.07040	84.4
107.08607	47.9
109.06509	15.0
109.10163	34.0
111.08042	4.8
115.05495	5.5
117.07013	12.1
119.08585	89.0
121.06490	19.2
121.10155	47.2
123.08096	14.5
123.11709	6.1
125.09676	6.5
128.06268	6.6
129.07021	17.8
131.08557	51.3
133.10141	91.7
135.08060	5.5
135.11685	16.0
137.09601	10.8
139.11214	5.8
141.07014	6.4
142.07785	14.6
143.08582	34.3
144.09363	10.8
145.10129	48.9
147.11693	16.4
149.09602	7.7
149.13141	4.5
151.11185	11.3
155.08557	9.3
156.09319	18.8
157.10132	43.0
158.10948	24.8
159.11736	33.3
161.09633	5.7
163.11226	5.6
165.07010	5.8
167.08607	6.6
169.10173	18.8
170.10915	11.9
171.11694	45.3
173.09889	5.0
173.13283	100.0
175.14816	9.5
181.10150	7.1
182.10896	5.9
183.11694	15.2
184.12450	5.9
185.13289	23.8
186.14124	5.5
187.14815	13.5
193.10178	5.5
195.11731	4.6
197.13254	21.5
199.14784	19.0
206.10858	7.0
207.11539	4.4
209.13286	7.6
211.14824	19.1
219.11732	4.5
221.13266	8.4
221.15356	5.0
235.14777	6.2
248.51282	4.7
259.20551	5.1
267.20959	6.8
277.21738	61.4
295.06052	4.7
295.20319	30.5
295.22739	42.3
298.87079	4.1
311.26288	4.1
318.13028	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	7.3
55.01866	5.8
55.05276	2.5
55.05518	43.5
57.03423	7.4
57.07068	9.1
59.04982	3.8
61.74989	2.1
65.03950	3.6
67.05511	100.0
69.03416	4.5
69.07077	31.8
69.55644	13.9
71.04993	9.5
71.08637	47.2
79.05075	3.8
79.05498	47.2
81.03421	14.5
81.06597	4.2
81.07064	77.9
83.04990	15.6
83.08147	3.7
83.08623	31.9
85.06504	4.1
86.09676	4.3
91.05488	30.3
93.07052	50.6
95.04980	16.4
95.08614	38.1
97.06539	11.0
97.10181	30.2
99.08104	39.5
105.07034	26.9
107.04978	4.8
107.08606	37.4
109.06532	5.4
109.10168	24.8
111.08077	9.2
117.07033	8.7
119.08610	19.3
121.06502	3.6
121.10159	19.9
123.08087	4.2
123.11699	5.6
125.00002	3.1
125.09634	21.6
127.11224	2.4
129.06989	5.2
131.08549	5.1
133.10147	18.2
135.08037	4.5
135.11673	17.4
137.09598	4.8
139.11212	5.5
143.08574	6.2
145.10104	7.9
147.11717	15.8
149.09567	3.7
149.13275	11.6
151.11195	33.8
153.09103	3.5
153.12727	3.1
155.10614	3.2
157.10126	4.5
159.11641	3.6
161.09766	3.0
161.13269	19.6
163.11211	14.8
163.14803	4.0
165.12730	4.0
169.77383	2.3
171.10284	2.3
171.11693	5.9
173.13242	3.6
175.11253	3.6
175.14871	4.0
179.14351	11.8
184.07350	7.5
185.13347	4.3
189.11227	17.8
189.12656	3.3
221.15399	3.3
225.46455	2.6
227.71890	2.1
231.21315	2.2
241.19508	9.2
259.20636	10.3
264.41272	2.4
266.52222	2.4
277.21680	76.4
295.19986	2.6
295.22672	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.62851	1.9
53.03929	2.5
55.01880	13.8
55.05515	56.8
57.03431	6.4
57.07076	11.2
58.12702	2.5
65.03934	4.2
67.05508	100.0
69.03424	5.3
69.07074	31.4
69.61331	13.0
71.05002	4.5
71.08646	24.0
77.92363	2.1
79.05498	50.4
81.03413	9.3
81.07059	63.8
82.38285	2.1
83.04987	14.1
83.08625	28.8
85.06548	4.9
86.54390	2.0
90.55628	2.4
91.05481	35.4
93.07045	49.5
95.04980	15.3
95.08001	2.2
95.08613	43.0
97.06521	10.8
97.10181	29.4
98.21495	4.0
99.08108	22.3
105.07037	21.0
107.04936	2.7
107.08598	31.4
109.06525	7.0
109.10168	30.8
111.08073	9.9
113.09637	2.6
117.07019	7.9
119.08588	19.5
121.10122	17.9
123.08089	7.3
123.11705	11.0
125.09663	23.0
129.07016	4.0
131.08569	4.5
133.10121	15.4
135.07997	3.8
135.11682	19.7
137.09624	11.3
139.11160	13.0
143.08540	5.5
145.10139	5.8
147.11728	13.4
149.13243	15.4
151.11186	18.6
153.09102	2.7
153.12694	2.5
155.10651	3.6
157.10170	4.0
159.11699	3.0
161.13266	12.0
163.11203	8.7
163.14784	4.8
165.12749	7.1
171.10135	2.5
171.11690	4.5
173.11757	2.5
173.13249	8.0
175.11224	4.5
175.14807	6.1
177.12601	3.1
179.14290	8.0
181.12228	3.0
182.02367	2.6
185.13219	3.7
189.11206	15.1
189.12808	5.1
193.12209	2.4
193.16025	2.4
207.13908	2.5
221.15448	2.7
226.38867	2.5
231.21085	6.3
241.19489	9.6
249.22157	4.8
259.20605	12.2
277.21637	97.7
295.22708	42.4
315.15683	2.3
317.87439	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.02327	1.2
53.03944	1.9
54.88021	1.2
55.01865	2.5
55.05514	14.2
56.66169	1.2
57.07059	4.0
59.05006	1.6
67.05508	27.9
68.97229	1.2
69.03429	2.1
69.06738	1.8
69.07072	19.3
70.77030	2.6
71.04993	4.2
71.08611	2.8
76.03927	1.3
79.05498	25.2
81.06593	2.1
81.07060	34.4
82.83846	1.1
83.04966	5.5
83.08621	9.7
85.06534	3.1
91.05478	15.1
93.07046	37.1
95.04955	3.0
95.08609	29.9
97.06529	9.7
97.10159	5.2
99.08058	1.8
105.07048	16.6
107.08604	20.2
109.06497	5.2
109.10149	11.5
111.08080	2.7
117.07017	4.5
119.08565	12.4
121.06546	1.3
121.09464	1.6
121.10172	14.8
123.08068	3.5
123.11742	2.4
125.09653	2.7
126.80598	1.2
129.07002	2.3
131.08592	6.9
133.10144	13.7
135.11708	26.9
137.09581	1.6
139.11185	2.7
143.08568	4.0
145.10114	6.7
147.08095	2.1
147.11662	7.3
149.09644	1.6
149.13245	9.0
151.11174	4.4
155.34477	1.2
157.10117	2.9
159.11676	4.8
161.09602	1.3
161.13271	6.0
162.28926	1.2
163.11172	4.6
163.14807	2.5
165.12791	3.7
171.11690	3.5
173.13322	3.3
175.11215	1.3
175.14804	3.1
177.12730	2.0
179.14316	1.8
185.13271	4.1
189.12756	1.3
195.13931	1.3
199.14777	3.4
203.14357	2.0
207.13782	3.7
215.77504	1.3
221.15382	4.8
221.18117	2.6
231.17384	1.5
231.21088	1.6
241.19566	7.1
249.22137	1.7
259.20593	20.0
277.21643	100.0
295.06082	1.8
295.22656	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01860	5.5
55.05509	3.1
55.72240	2.1
57.03442	20.8
59.04714	3.0
59.05003	52.8
61.02922	3.2
67.05499	3.4
67.90705	2.2
69.03435	100.0
69.07053	2.5
71.01353	3.2
71.04974	4.2
71.10197	5.0
73.02910	9.2
79.05499	3.9
81.03425	20.1
81.07046	5.8
85.02912	60.9
87.04472	33.1
91.05460	2.1
93.07068	4.6
94.06601	3.6
95.04984	4.5
95.08611	5.0
97.02898	59.6
99.04465	16.8
103.03941	13.5
103.07587	5.1
105.07039	3.9
107.04967	2.8
107.08571	2.2
109.02921	10.1
109.06544	2.5
111.04459	3.9
111.31636	2.0
115.03939	47.7
117.05519	11.7
117.09137	6.3
121.06535	2.8
121.10143	3.8
123.04430	4.4
124.07584	5.9
127.03936	17.7
131.04915	2.3
131.08542	2.1
133.04977	51.7
133.06465	3.9
135.04453	3.2
137.06071	1.9
139.03899	2.6
144.08101	2.6
145.04987	27.0
149.13278	3.3
151.03818	4.2
161.04512	5.7
163.03844	2.8
163.06093	2.4
163.07503	2.2
165.05408	2.8
167.06978	2.6
169.04933	10.2
175.04013	2.9
181.04932	2.1
187.05977	3.5
193.04961	3.1
232.10619	2.1
241.07019	5.0
259.08276	5.3
277.09314	9.8
295.05997	5.6
295.09866	2.0
295.16364	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.02379	0.9
53.03949	5.1
53.94519	0.8
55.01865	2.9
55.05274	1.2
55.05515	16.6
55.26245	0.9
56.70614	0.9
57.03431	2.7
57.07074	3.4
58.45510	0.9
58.54305	1.1
65.03922	1.5
67.05510	42.4
69.03416	2.0
69.07072	16.4
70.11155	4.3
71.05000	2.3
71.08637	40.1
77.51974	0.9
77.91793	0.8
79.05498	38.6
81.03429	6.7
81.07063	45.9
82.57252	1.0
83.04980	10.9
83.08627	11.1
85.06532	1.9
91.05486	25.4
93.07052	52.8
94.27337	0.8
95.04987	8.3
95.08615	33.9
97.06550	8.0
97.10168	6.3
98.21455	1.1
99.08103	30.1
103.05477	1.2
105.04550	1.1
105.07039	16.1
107.04988	4.7
107.08606	27.9
109.06528	3.1
109.10158	13.0
111.08094	2.6
111.11728	1.1
113.09637	3.3
117.07013	2.6
119.08597	14.8
121.10154	26.9
123.08097	2.9
123.11671	1.7
124.70599	0.9
125.09624	2.1
127.11188	1.9
129.06952	2.7
131.08574	4.1
133.10135	10.8
135.08022	1.1
135.11696	34.8
136.01984	0.9
137.09584	3.5
139.11185	2.2
141.09114	2.5
143.08578	2.3
145.10127	4.1
147.11732	4.8
149.09618	1.6
149.13260	9.8
151.11183	14.1
153.12773	2.7
157.10117	2.5
159.11673	3.3
161.13246	9.3
163.11244	5.0
163.14809	1.8
165.12692	1.6
167.10602	1.4
171.11707	2.3
173.13260	1.4
175.14845	1.9
177.12744	3.9
179.14323	100.0
185.13315	1.8
189.12730	2.7
195.13765	2.5
221.15421	3.1
235.16943	5.4
241.19487	2.3
259.20636	5.9
277.21646	52.8
295.22775	2.9
307.46890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08689	0.2
62.70301	0.2
63.66594	0.2
65.03944	0.7
68.89333	0.2
69.03414	0.3
69.61327	1.0
81.14905	0.2
81.78481	0.2
84.04498	0.9
86.69845	0.2
91.05483	10.7
97.64562	0.2
119.04944	26.7
130.04373	0.2
130.05038	2.0
147.04413	100.0
148.04767	0.3
148.05934	0.2
165.78246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46225	0.3
55.01856	0.5
55.05497	0.7
57.07061	0.4
67.05515	1.4
68.05850	0.3
69.07067	0.6
69.69154	1.1
69.69566	0.7
71.08619	0.5
79.05481	1.2
81.07068	2.7
82.07388	0.4
83.04964	0.3
83.08604	0.6
83.32822	0.3
84.08941	0.3
85.02901	0.4
88.07584	0.3
91.05480	0.9
93.07056	0.5
94.04188	1.8
95.04980	0.8
95.08614	0.4
97.06515	0.4
97.10190	0.4
98.06907	0.3
98.21564	0.6
105.07067	0.4
105.56453	0.3
107.04958	0.4
107.08589	1.0
108.08923	1.0
109.06515	0.4
120.08953	0.3
121.10187	0.4
122.03660	5.9
123.11746	1.5
137.05984	100.0
138.06293	0.3
150.10025	0.3
158.15405	1.4
160.12000	0.4
170.15410	1.9
179.59282	0.4
276.20410	2.2
294.21268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2068
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
55.01868	0.7
55.05507	0.9
56.05844	0.2
57.07076	0.5
58.02978	0.3
67.05516	1.5
68.05843	0.3
69.07063	0.5
69.23878	0.6
69.24296	1.5
71.04978	0.3
75.61338	0.2
79.05503	1.6
80.05826	0.4
81.07057	2.3
83.04971	0.3
83.08605	0.3
85.02890	0.3
91.05482	1.0
92.05824	0.4
93.07059	0.7
94.04178	1.5
94.07383	0.4
95.08611	0.5
96.08958	0.3
97.06537	0.7
97.10166	0.4
98.06828	0.4
98.10506	0.2
105.07047	0.8
106.07362	0.6
107.04967	0.5
107.08608	1.5
108.08945	1.4
109.06564	0.2
119.08582	0.5
120.08942	0.3
122.03662	5.9
123.11714	1.8
125.09702	0.3
126.09957	0.3
131.08522	0.3
132.08879	0.3
134.10535	0.3
137.05988	100.0
138.06384	0.3
141.12758	0.3
145.10124	0.4
148.11954	0.3
150.10071	0.2
158.15417	1.2
160.12106	0.2
169.97957	0.2
170.15442	2.8
228.53230	0.3
258.19287	0.3
276.20447	3.0
294.21320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.5
55.05509	3.1
55.72240	2.1
57.03442	20.8
59.04714	3.0
59.05003	52.8
61.02922	3.2
67.05499	3.4
67.90705	2.2
69.03435	100.0
69.07053	2.5
71.01353	3.2
71.04974	4.2
71.10197	5.0
73.02910	9.2
79.05499	3.9
81.03425	20.1
81.07046	5.8
85.02912	60.9
87.04472	33.1
91.05460	2.1
93.07068	4.6
94.06601	3.6
95.04984	4.5
95.08611	5.0
97.02898	59.6
99.04465	16.8
103.03941	13.5
103.07587	5.1
105.07039	3.9
107.04967	2.8
107.08571	2.2
109.02921	10.1
109.06544	2.5
111.04459	3.9
111.31636	2.0
115.03939	47.7
117.05519	11.7
117.09137	6.3
121.06535	2.8
121.10143	3.8
123.04430	4.4
124.07584	5.9
127.03936	17.7
131.04915	2.3
131.08542	2.1
133.04977	51.7
133.06465	3.9
135.04453	3.2
137.06071	1.9
139.03899	2.6
144.08101	2.6
145.04987	27.0
149.13278	3.3
151.03818	4.2
161.04512	5.7
163.03844	2.8
163.06093	2.4
163.07503	2.2
165.05408	2.8
167.06978	2.6
169.04933	10.2
175.04013	2.9
181.04932	2.1
187.05977	3.5
193.04961	3.1
232.10619	2.1
241.07019	5.0
259.08276	5.3
277.09314	9.8
295.05997	5.6
295.09866	2.0
295.16364	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.26361	0.5
53.03952	0.8
55.01877	4.5
57.03443	11.0
58.80593	0.5
59.04994	1.7
61.02938	4.0
67.05497	0.9
69.03437	34.8
69.07073	0.5
69.35805	3.9
71.01350	1.9
71.04988	1.2
73.02921	9.8
75.51775	0.5
77.07943	0.5
79.05482	0.5
81.03426	6.7
83.01357	0.6
83.04971	1.4
84.08138	0.7
85.02913	32.1
86.09729	0.6
87.03949	0.7
87.04481	13.2
88.03977	0.6
91.03983	1.1
91.05486	2.0
93.07068	0.5
94.04052	2.4
94.06553	0.7
95.04955	1.4
96.04356	0.4
97.02902	24.7
98.21153	2.2
98.97616	0.6
99.04460	5.3
101.02395	0.8
103.03960	4.4
104.20396	0.5
105.07039	0.7
107.04938	1.0
107.84550	0.4
109.02882	4.2
110.06053	0.5
111.04445	1.0
115.03939	21.4
117.05541	0.7
119.04955	1.3
120.05289	1.5
120.08126	2.3
123.04471	1.4
123.06684	1.7
124.07648	2.5
124.08390	0.5
125.02441	0.6
127.03912	7.3
133.04980	24.7
136.06219	1.4
136.07545	1.1
138.09145	1.9
145.04970	11.9
146.06001	1.6
147.04431	4.7
148.03679	0.5
148.04784	7.1
149.06015	1.0
150.07761	100.0
151.03877	1.5
152.07083	1.4
157.04990	0.8
161.04425	1.0
163.03952	0.9
163.06104	1.3
166.08633	0.7
167.07104	0.6
169.05009	3.0
174.05528	0.7
181.05020	0.5
187.06038	1.1
199.06091	0.6
211.06009	0.7
229.07027	0.9
241.07140	1.5
259.08173	1.4
259.14478	0.7
277.09189	3.1
277.11844	0.7
277.15524	0.6
295.05893	1.2
295.11444	4.0
295.16516	3.1
295.19516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.49894	2.5
53.03753	2.3
53.03955	27.2
53.41476	2.4
55.01878	16.5
55.05519	22.4
57.07043	3.3
66.20552	2.7
67.05180	3.9
67.05511	55.2
69.03400	2.6
69.07072	37.3
69.85435	12.7
71.04991	5.3
79.05501	49.6
81.03422	53.5
81.07063	80.5
83.04972	10.3
83.08637	12.9
85.06551	2.9
91.05489	58.3
93.07048	45.7
94.56115	2.3
95.01340	8.2
95.04973	18.5
95.08609	45.9
97.06561	18.6
97.10169	5.4
103.05460	2.7
105.07042	88.7
106.63138	2.9
107.04970	27.9
107.08602	32.1
109.06525	9.8
109.10161	14.4
111.08060	4.2
115.49271	2.2
117.07031	16.8
119.08598	40.0
121.06519	8.6
121.10120	11.9
123.08079	16.5
125.09645	9.1
131.08594	30.2
133.06493	3.2
133.10141	53.6
135.08040	5.5
135.11688	13.8
137.09666	4.1
141.06995	3.1
141.52798	2.3
143.08524	4.0
145.06451	7.8
145.10129	19.3
147.11707	21.5
149.09641	7.9
149.13266	5.2
151.11195	4.3
154.96048	2.6
157.10216	5.9
159.11711	17.4
161.09648	3.4
161.13235	5.3
163.11183	8.0
165.09097	4.3
169.10143	5.8
171.11757	3.0
173.13248	2.8
177.12761	6.8
179.14288	11.2
183.11636	2.8
187.11220	13.5
189.11119	3.6
195.13831	3.3
197.13286	2.8
205.12199	4.9
219.17413	3.6
223.13304	5.8
229.19542	3.2
237.11139	4.6
257.19006	7.4
275.20087	100.0
286.36758	2.5
293.18173	3.7
293.21133	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03951	1.7
55.05514	23.7
56.96568	1.3
57.03420	1.5
57.07082	17.3
63.51115	1.0
63.89586	1.0
65.03933	1.4
67.05510	34.7
69.03424	2.4
69.07072	54.1
71.05019	5.0
71.08643	7.7
71.52113	1.3
73.06563	1.1
79.05502	12.4
80.15244	1.0
81.07060	84.0
83.04965	3.2
83.08624	36.9
85.02913	2.5
85.06553	12.3
85.10173	3.4
91.05479	6.2
93.06487	1.5
93.07051	23.8
94.40278	0.9
95.04984	2.0
95.08612	100.0
97.06541	4.5
97.10180	23.0
99.08105	11.1
105.07060	5.0
107.08603	25.9
109.10162	64.1
111.08096	7.8
111.11723	13.2
112.04825	1.1
113.09632	4.4
115.85708	1.0
117.07010	1.5
119.08585	3.3
121.02905	1.5
121.06521	1.2
121.10149	13.2
123.08070	1.1
123.11715	35.9
125.09635	4.3
125.13258	4.9
131.04971	1.6
131.08577	1.6
133.10120	2.5
135.08060	1.6
135.11705	10.9
137.13255	24.4
139.11147	2.9
139.14841	2.8
145.10167	1.4
147.04445	2.7
147.11708	1.8
149.02353	28.5
149.09668	1.5
149.13266	22.6
151.14841	7.7
153.12758	3.9
159.11786	1.0
163.14792	7.1
165.16359	5.5
167.14381	5.0
169.15857	2.2
173.13277	1.3
177.16359	3.8
179.17924	5.0
191.17880	2.2
193.19543	3.3
205.19507	1.8
219.06505	1.0
219.17514	1.3
219.21031	2.3
221.08119	1.5
224.38010	1.0
249.25757	1.6
275.20203	6.1
275.27335	9.3
293.08252	1.4
293.13971	2.3
293.17331	3.3
293.21466	6.4
293.28397	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20234	0.3
61.34230	0.3
63.60384	0.3
65.03938	1.1
66.30479	0.3
68.76102	0.3
69.03435	0.6
69.07042	0.3
70.06586	0.8
71.16264	0.4
71.16605	0.3
72.08144	0.6
73.02897	0.3
81.03419	0.3
84.04500	1.3
84.08158	0.8
85.02905	0.7
86.09721	0.7
88.04002	0.3
91.05489	9.3
95.08605	0.3
97.02910	0.6
97.06564	1.6
102.05537	0.6
103.21083	0.3
107.66704	0.3
109.02907	0.6
119.04955	22.9
120.08099	0.9
130.05026	1.9
147.04425	100.0
148.04803	0.4
162.05568	0.4
205.11214	0.3
231.10185	0.8
234.89066	0.3
235.09706	0.4
243.84995	0.3
248.12822	0.9
276.08737	0.4
276.14456	0.6
277.10672	0.4
278.83887	0.3
294.09546	0.9
294.13409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.4
68.25735	0.3
69.07051	0.3
70.86752	0.6
91.05489	9.9
97.06537	3.4
103.46044	0.3
109.02843	0.3
119.04956	26.7
119.56025	0.3
120.08059	0.4
135.04437	0.4
147.04424	100.0
152.25813	0.3
153.78902	0.3
163.19156	0.3
181.55943	0.3
231.10184	1.5
248.12822	2.0
277.10739	1.2
294.13483	1.4
294.16586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.43281	1.4
53.03946	6.1
55.01881	9.7
55.05517	56.0
57.03426	3.2
57.07084	2.3
59.05012	2.2
63.33910	1.4
63.76588	1.3
65.03931	2.2
67.05511	47.4
69.03432	4.3
69.07076	13.3
69.83938	7.8
71.04986	4.1
78.23285	1.6
79.05501	83.1
81.03430	2.3
81.07066	30.3
83.04990	20.8
83.08620	17.6
84.55122	1.4
85.06535	2.0
91.04913	1.6
91.05489	29.5
93.07054	38.9
95.04993	9.6
95.08620	16.6
97.06540	2.4
97.10168	23.6
105.07043	30.3
107.04965	39.6
107.08602	62.9
109.06526	2.0
109.10164	18.8
111.08103	4.0
117.07051	12.8
119.08591	23.8
121.06497	3.1
121.10146	19.6
123.08053	2.6
123.11692	5.9
125.09636	25.7
127.87936	1.2
131.08577	13.4
131.44249	1.4
133.10133	20.9
135.08089	8.3
135.11707	4.3
144.27023	1.4
145.09186	1.3
145.10132	8.8
147.11708	15.6
149.09637	81.0
149.13298	2.7
153.09096	6.0
153.12767	1.4
154.30745	1.4
155.10614	2.3
157.10188	1.6
159.11699	8.8
161.13280	4.5
163.11180	2.8
163.14825	4.1
169.10132	2.1
169.12283	4.4
171.10175	5.8
171.11586	3.3
173.11871	2.7
173.13271	4.0
177.12704	1.6
187.11220	4.1
187.13272	1.8
187.14902	2.5
187.55016	1.6
189.11212	16.8
191.14316	3.3
197.13242	3.1
209.15401	6.3
215.17821	1.9
229.19466	9.2
239.17990	3.7
247.20607	5.2
256.89914	1.8
257.19025	19.0
275.20087	100.0
293.21133	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	1.3
55.01862	2.7
55.05516	10.4
57.03431	2.9
57.07060	1.8
67.05509	21.6
69.03433	2.2
69.06738	1.3
69.07074	20.1
70.76003	1.1
70.76350	2.1
71.04982	3.9
79.05082	1.2
79.05502	15.6
81.03430	1.1
81.07062	22.3
83.04990	8.6
83.08614	4.0
85.02899	4.0
85.06544	2.0
91.05485	15.1
93.07050	18.1
95.04967	8.6
95.08612	17.5
97.06520	3.2
97.10150	3.5
103.05466	1.0
103.20890	0.9
105.07036	20.7
107.04958	5.7
107.08592	13.8
109.06529	7.6
109.10153	8.6
111.04443	1.6
111.08080	1.5
116.06209	1.1
117.07024	4.7
119.08581	10.4
121.06511	8.4
121.10144	7.3
122.29472	0.8
122.38869	0.8
123.08030	4.3
123.11699	3.1
129.05527	1.4
129.07013	1.5
130.32928	1.0
131.04929	2.2
131.08578	12.9
133.06477	2.5
133.10147	13.8
135.08061	2.9
135.11734	5.1
137.09615	2.1
138.39258	0.8
139.07574	1.0
141.06985	1.4
143.08578	2.1
145.06522	1.8
145.10133	8.5
147.08020	3.1
147.11707	11.1
149.02327	1.0
149.09627	5.3
149.13298	1.9
151.11230	6.3
153.12769	0.9
155.08524	1.0
157.10120	2.5
159.11697	5.2
161.09607	2.6
161.13300	2.0
163.11249	4.9
165.12744	1.3
169.10251	1.8
171.11664	1.4
173.05968	1.9
173.09622	2.7
173.13239	4.2
175.11201	2.2
177.05630	1.0
177.12770	2.1
183.11775	1.3
187.11217	1.9
191.14293	2.7
199.14813	1.0
201.05446	2.4
201.12704	1.7
203.07085	1.7
207.13889	2.7
215.14296	1.3
219.13846	3.5
229.04887	2.2
229.19591	3.0
231.17648	1.0
239.18002	3.8
247.05887	1.9
247.20590	3.3
257.19009	14.5
275.05566	3.6
275.20087	100.0
293.21136	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2115
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	2.7
55.05273	1.1
55.05521	16.3
56.50428	0.6
57.03446	5.4
57.07076	0.8
59.05009	0.7
59.39418	0.7
65.03944	2.8
67.05515	16.1
69.03429	1.9
69.07080	7.6
70.12653	0.8
70.12984	2.7
71.04992	1.6
73.06512	0.7
74.12483	0.6
78.89996	0.8
79.05504	42.3
81.07071	18.4
83.04972	2.4
83.08624	10.3
85.06549	5.2
87.04485	0.8
91.05492	27.3
93.07056	32.2
95.04974	3.4
95.08065	1.1
95.08625	15.3
97.06526	3.0
97.10184	12.0
99.08121	1.7
103.05431	1.1
105.04557	1.1
105.07048	37.3
107.04962	2.2
107.08609	91.4
109.06519	5.3
109.10195	5.1
111.08086	1.6
111.11741	0.8
117.07039	6.0
119.06055	1.2
119.08599	18.3
121.06533	1.8
121.10149	8.3
123.08103	1.8
123.11700	2.0
125.09646	10.2
129.06990	3.7
131.08589	10.2
133.10149	17.8
135.08073	2.9
135.11725	4.0
137.09567	1.1
143.08562	4.3
145.10138	13.7
147.08061	1.0
147.11711	16.8
149.09653	6.4
149.13260	1.5
151.11194	2.7
153.09129	1.2
155.08598	1.3
157.10106	4.2
159.11710	12.1
159.89464	0.8
161.09604	1.9
161.13260	6.2
163.11217	2.9
165.12834	1.1
169.10173	1.9
171.10327	1.1
171.11731	2.2
173.11940	0.8
173.13239	3.9
175.11177	1.6
175.14836	2.2
177.12802	1.0
181.12292	2.0
183.11716	2.3
185.13287	11.5
187.11128	0.9
189.11259	9.3
191.14420	1.1
197.13286	2.0
201.16434	1.8
203.14389	9.5
208.67059	0.7
211.14709	0.9
219.17450	6.7
221.15416	12.9
229.15964	0.9
229.19667	0.9
239.18030	5.7
257.19052	14.7
275.20102	100.0
293.15289	2.1
293.21115	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	293.2115
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	3.1
54.32727	1.2
55.01877	11.8
55.05519	20.6
57.03441	5.3
59.05016	1.7
63.58138	1.3
65.03960	2.0
67.05515	26.1
68.74895	1.5
69.03445	2.7
69.07079	31.9
71.05007	2.1
79.05503	42.8
81.03431	5.2
81.07073	26.3
83.04990	3.6
83.08627	11.5
85.06563	3.7
85.18348	1.4
91.04919	1.4
91.05496	31.5
93.07059	30.8
95.04991	13.2
95.08620	16.9
97.06544	17.5
97.10176	12.5
105.07045	31.5
107.04978	10.4
107.08608	67.4
109.06553	5.4
109.10165	6.8
111.08098	2.4
115.02101	1.5
117.07024	7.3
117.34869	1.4
119.08598	14.8
119.90508	1.3
121.06515	4.4
121.10157	11.6
123.08112	4.0
123.11713	3.0
125.09652	13.3
131.08562	10.2
133.10153	18.3
135.08058	7.3
135.11708	4.7
137.09653	2.6
139.11200	1.5
141.07030	1.5
143.08597	2.7
145.10136	10.7
147.07997	1.6
147.11716	12.7
149.09651	11.9
149.13322	2.1
151.11197	4.7
153.09117	1.3
157.10149	2.8
159.11697	9.1
161.09651	1.5
161.13306	5.2
163.11200	4.2
165.09132	3.4
169.10158	1.8
171.10303	1.7
171.11707	3.2
171.86925	1.4
173.13290	3.9
175.14888	1.8
177.05507	8.9
177.12773	2.6
178.06261	8.3
183.11765	3.1
185.13255	3.0
187.11232	3.1
189.11249	8.4
191.14287	2.2
201.16388	2.0
203.14415	3.3
205.12285	1.5
207.13860	3.3
219.17471	6.5
221.15401	5.8
227.91426	1.6
229.19568	2.5
232.98764	1.3
233.11691	10.4
237.14890	6.4
239.18044	4.1
247.20526	3.0
251.16487	1.9
257.19070	13.2
275.20105	100.0
293.21112	27.3
302.68018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	3.1
55.01880	20.6
55.05518	23.9
56.01316	1.6
57.07071	2.8
59.04990	1.5
67.05514	27.7
69.03439	2.5
69.07073	14.0
69.54105	11.0
71.05013	2.4
79.05069	3.0
79.05504	42.0
81.03426	4.8
81.07066	25.0
83.04990	4.0
83.08617	11.1
91.05496	28.6
93.07060	22.5
95.04997	7.6
95.08621	19.4
97.06541	27.3
97.10185	16.6
105.07044	29.5
107.04946	7.9
107.08606	75.3
109.06522	3.9
109.10168	6.5
111.08115	3.0
117.07021	5.0
119.06065	1.7
119.08611	18.0
121.06536	2.9
121.10173	8.1
123.08089	4.3
123.11688	2.1
125.09641	16.1
129.07045	2.0
131.08594	8.0
133.10146	16.3
135.08066	4.6
135.11710	5.2
137.06000	9.2
137.09586	3.7
143.08566	2.1
145.10135	9.8
147.11710	11.4
149.09631	15.5
151.11183	3.0
157.10121	2.2
159.11690	7.6
161.09703	1.9
161.13284	3.1
163.11195	5.9
165.09138	3.2
169.10152	2.5
171.10181	3.7
171.11682	2.7
173.13264	3.4
177.12836	2.1
179.14313	3.0
181.12300	2.0
183.11723	3.3
187.13156	1.6
189.11252	12.2
205.12346	1.7
212.43126	1.6
229.19621	3.3
237.11215	3.9
239.18015	3.8
247.20551	4.1
257.19009	11.3
267.22003	1.5
275.20099	100.0
293.18140	3.0
293.21133	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03949	1.1
55.01885	3.8
55.05518	12.1
57.03440	0.9
57.07062	1.6
65.03928	1.5
67.05508	24.3
69.03447	1.5
69.07072	19.4
69.74528	2.2
69.74936	1.6
71.04974	1.7
79.05497	14.5
81.03431	1.1
81.06597	1.3
81.07061	24.9
83.04991	5.3
83.08613	4.6
85.06536	1.3
91.05487	13.7
93.07047	19.8
95.04984	7.3
95.08610	16.4
97.06519	4.0
97.10168	2.4
98.20815	1.0
100.65514	0.6
105.07043	20.6
107.04956	6.1
107.08592	13.0
107.23102	0.7
109.06528	9.9
109.10161	8.9
117.07008	5.1
119.08590	12.9
121.06508	8.4
121.10154	7.0
123.08080	4.4
123.11744	3.5
125.09618	1.0
129.06987	2.2
131.08562	11.0
133.06480	2.8
133.10141	14.7
135.08069	3.6
135.11726	4.1
137.09624	1.5
143.08563	2.0
145.06493	1.1
145.10135	10.7
147.08012	3.2
147.11703	10.6
149.09552	3.6
149.13277	2.3
150.73193	0.7
151.11227	7.4
155.08543	1.3
157.10132	1.7
159.07976	1.8
159.11707	6.0
161.09616	3.0
161.13237	2.3
163.11186	3.8
165.12791	0.7
171.11719	1.9
173.09593	3.0
173.13248	4.3
175.11134	1.6
175.14882	0.9
177.12718	2.4
183.11714	2.5
187.11185	1.9
187.14778	1.3
189.12781	1.2
191.14322	2.9
197.13281	1.1
201.12798	2.4
207.13850	3.8
215.14342	0.8
215.17882	1.6
219.13794	5.8
229.19525	3.1
231.17606	0.9
233.19115	1.1
239.17944	3.2
247.20590	3.2
257.19031	13.4
275.20074	100.0
276.20245	1.2
293.17813	1.5
293.21112	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11277	1.9
64.97059	2.2
66.97886	1.8
67.17313	1.9
71.50089	2.3
71.50498	2.4
71.92001	2.1
74.65914	1.8
75.23447	1.9
116.98633	2.3
143.01929	5.7
161.02956	5.6
178.05124	2.2
191.86707	2.1
200.84821	2.1
206.45924	2.1
253.68355	3.0
273.31082	2.1
293.06320	100.0
311.06668	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01868	1.7
55.05518	8.4
57.03185	1.3
57.03444	12.6
59.04987	1.7
61.02932	1.3
67.01863	1.2
67.05519	5.4
69.03423	8.2
69.07065	2.0
70.88799	2.0
70.89146	1.5
71.01360	5.6
71.05003	37.1
73.02943	4.8
73.06561	1.1
74.92082	0.9
75.04492	9.3
79.05481	3.3
81.03397	2.6
81.07069	3.3
83.04994	30.7
83.40031	0.9
85.02916	100.0
85.06568	1.2
86.06083	1.4
87.04474	3.2
91.05497	2.8
93.07042	2.7
95.04987	5.9
95.08629	3.1
97.02885	2.8
97.06513	3.4
99.04477	5.3
101.06024	3.6
105.07041	3.0
107.04978	1.8
107.08589	5.4
109.02885	4.1
109.06495	1.4
109.10152	1.6
111.03727	1.5
111.04457	25.6
113.06003	3.8
117.05511	1.0
121.06489	2.4
121.10197	1.1
123.04413	2.0
125.05995	2.0
125.09610	1.3
127.03931	3.5
129.05492	33.0
133.10121	1.5
137.05984	1.3
138.56093	0.9
139.03909	1.1
141.05463	1.2
147.06532	11.8
147.11798	1.2
153.05473	15.0
155.07063	1.3
157.04990	4.1
159.06497	1.6
165.05482	1.5
171.06561	10.7
178.20323	1.0
179.07028	1.0
183.06541	2.3
195.06502	1.2
201.07571	6.5
205.81873	1.0
213.07549	4.0
239.09184	7.3
257.10208	5.6
257.19067	1.5
275.11371	8.0
275.20120	8.2
293.12262	5.4
293.21042	3.3
312.45987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1385
Annotation	40321-98-0
Peak:m/z	Relative Intensity
50.15184	0.3
53.03940	1.1
55.05515	24.7
65.03931	0.8
66.21934	0.3
67.05504	0.6
68.67754	0.3
69.34331	1.5
69.34728	0.8
71.04966	0.4
73.06561	8.8
78.34827	0.3
79.05489	0.5
81.07043	0.8
83.04974	0.4
85.02919	0.5
91.05503	2.0
93.03440	0.3
95.08594	0.5
98.20785	0.7
105.07006	0.4
107.08589	0.4
109.10153	0.6
111.04442	0.5
115.05479	0.3
116.06247	0.3
117.07040	0.4
119.04922	0.5
121.02891	5.8
121.03925	0.6
129.07036	2.7
131.08601	2.7
143.04916	1.2
147.04425	2.6
147.08090	0.4
149.02351	100.0
157.06520	1.0
159.04703	0.3
161.06007	5.9
167.03455	0.7
175.07555	19.3
185.06049	1.0
196.64276	0.2
203.07045	28.0
207.33406	0.3
216.74193	0.3
221.08073	1.0
231.47325	0.3
275.10001	0.4
275.12836	5.5
284.00607	0.3
293.08237	0.7
293.13934	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	293.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05515	27.3
56.19539	0.3
57.03415	0.5
65.03929	1.0
67.05499	0.8
69.03414	0.6
69.07053	0.7
69.85384	0.3
69.94861	0.9
69.95258	0.6
71.04992	1.8
71.05333	0.3
73.06561	8.7
73.30236	0.3
79.05498	0.6
81.07061	0.8
83.04974	0.9
85.02900	2.7
85.06555	0.6
91.05489	2.8
91.07597	0.5
93.03397	0.5
93.07049	1.0
95.08587	1.7
101.06038	0.4
105.07024	0.7
107.08613	0.9
109.06558	0.3
109.10167	1.2
111.04424	0.9
119.05009	1.5
119.08596	1.2
120.08102	1.3
121.02876	5.0
121.03955	0.9
121.10087	0.8
123.11636	0.5
129.05489	0.8
129.07036	2.2
131.04897	0.7
131.08565	2.8
133.06432	0.4
133.10126	0.7
135.08073	0.4
143.04913	1.1
145.10092	0.5
147.04417	5.2
149.02350	100.0
150.02577	0.3
157.06485	0.6
159.11734	0.5
161.05977	4.7
163.11264	0.3
167.03404	0.3
173.84929	0.3
175.07556	17.5
175.14955	0.3
185.06032	0.7
187.14799	0.3
203.07039	25.5
203.52847	0.3
221.08162	1.3
257.19012	0.4
263.20316	0.4
275.12805	4.5
275.20166	0.6
293.13925	4.9
293.21121	0.5
293.24670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1497
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
67.04247	0.5
67.05515	0.3
69.03419	0.4
69.07065	0.2
70.06595	0.6
71.05208	0.3
72.08174	1.2
81.03422	0.3
82.06588	27.6
84.04534	0.3
91.05482	0.7
93.07049	0.2
94.91550	0.2
95.41564	0.2
100.07629	100.0
109.02890	0.5
110.06067	0.5
114.24521	0.2
119.04965	0.8
121.02906	0.2
122.06061	0.2
122.68002	0.2
124.47425	0.2
131.04930	0.3
140.07115	0.5
146.06070	0.3
147.04416	3.6
161.07082	0.3
208.09802	0.5
221.04642	0.2
222.53712	0.2
247.14287	0.3
258.11282	0.5
275.13892	1.0
293.14975	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.98689	1.4
51.77693	1.2
52.42306	1.3
53.03929	1.7
55.01869	1.9
55.05517	17.4
57.03447	7.9
65.03956	1.7
67.05507	15.1
68.21194	1.4
69.07069	7.8
70.06312	1.3
70.06640	5.8
71.45265	1.4
79.05497	37.6
81.07060	20.3
83.04979	2.1
83.08627	9.8
85.06548	3.8
91.05486	31.7
92.63715	1.3
93.07046	27.8
94.86728	1.3
95.04963	3.8
95.08615	13.5
97.06522	3.5
97.10187	11.5
105.07041	37.2
107.08605	88.5
109.06517	6.2
109.10150	5.3
111.08110	2.5
117.07036	7.7
119.08585	20.7
121.06552	2.4
121.10143	9.7
123.08070	2.3
125.09660	9.7
129.06996	4.5
131.08560	11.1
131.41254	1.4
133.10158	18.4
135.08104	1.6
135.11734	4.4
143.08585	4.1
145.10129	14.4
147.11710	13.3
149.09648	7.3
155.08618	1.6
157.10225	3.5
159.11736	12.2
161.09662	1.7
161.13274	6.6
163.11263	2.0
169.10155	2.2
171.11626	1.7
173.13283	3.8
175.11237	1.5
175.14853	3.3
177.12663	1.9
181.12250	3.2
183.11732	2.7
185.13269	11.1
189.11163	10.6
191.14423	2.1
201.16400	3.1
201.38200	1.4
201.65662	1.4
203.14330	11.3
208.26216	1.5
219.17447	7.5
221.15405	16.0
239.17899	7.6
257.19016	16.0
274.45081	1.5
275.20093	100.0
293.21161	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02369	1.4
53.03947	6.8
55.01878	31.0
55.05267	1.4
55.05514	17.8
57.03434	2.8
57.07056	1.4
65.03947	2.1
67.05510	32.0
69.03434	1.5
69.07071	30.4
70.05474	2.5
70.05862	2.0
71.04990	4.1
71.77185	1.0
79.05499	34.3
80.05856	0.9
81.03425	11.8
81.06590	2.2
81.07058	34.5
81.07530	1.9
83.04981	7.2
83.08652	7.5
85.02914	1.4
85.06554	1.6
87.04468	1.0
91.05486	20.7
93.07052	26.7
93.07639	1.5
95.04983	10.4
95.08611	22.7
97.06535	42.1
97.10184	7.7
99.08102	1.5
105.07045	28.9
105.90320	1.0
107.04963	13.1
107.08601	46.4
109.06513	7.1
109.10177	8.5
111.08073	2.4
117.07025	8.3
119.07796	1.8
119.08591	17.7
121.06519	6.6
121.10159	12.3
123.08087	8.0
123.11736	2.7
125.09623	7.8
129.07053	1.5
131.08591	10.2
133.06505	1.6
133.10143	17.4
135.08075	7.7
135.11722	8.3
137.08687	1.4
137.09630	4.0
137.13271	1.2
141.07063	1.3
143.08554	2.7
145.06476	3.3
145.10115	11.7
147.08080	1.1
147.11705	8.9
149.09631	22.5
149.13263	3.4
151.11197	8.1
153.09073	1.6
155.08498	1.1
157.10136	3.1
159.08174	1.4
159.11705	8.9
161.09724	1.7
161.13283	6.3
163.11186	10.8
165.09126	9.3
165.12888	1.6
169.10150	2.9
170.56874	1.0
171.11713	2.5
173.13220	5.0
175.11270	1.5
177.12741	3.9
179.14311	4.4
183.11685	2.0
187.11250	7.0
187.14948	1.6
189.11226	6.8
189.12691	1.5
195.13855	2.2
197.13281	1.7
205.12180	2.0
213.16327	1.4
215.18045	1.6
224.15237	1.2
229.19594	6.6
233.19124	1.4
239.17966	4.5
247.20630	6.8
247.62759	1.0
257.18997	12.4
275.20087	100.0
276.20422	1.4
293.21106	30.0
293.27835	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2115
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03953	4.3
55.01884	7.3
55.05519	24.6
57.03436	4.5
57.07064	2.0
65.03956	3.4
67.05182	2.7
67.05515	35.2
69.03419	3.9
69.07079	20.4
71.05005	2.7
71.13908	2.6
78.17533	1.5
79.05068	2.7
79.05505	40.1
81.03429	5.8
81.07071	57.0
83.05001	4.5
83.08622	16.5
85.06532	3.6
91.05497	28.7
93.07058	31.1
95.04984	11.2
95.08624	31.8
97.06537	12.4
97.10183	14.1
105.07053	28.0
107.04948	5.6
107.08614	49.3
109.06528	11.8
109.10163	16.8
111.08121	3.5
117.07015	8.8
119.08592	25.9
121.06512	4.1
121.10165	12.8
123.08083	7.4
123.11753	8.6
125.09650	10.0
129.07030	2.2
131.08604	12.9
133.10147	20.2
135.08080	5.6
135.11723	8.6
137.09631	6.5
137.13243	1.6
139.11205	2.7
143.08583	2.8
145.10146	12.3
147.04335	1.8
147.11726	17.3
149.09619	11.9
149.13281	4.7
151.11163	5.5
151.14850	2.0
155.08600	2.6
157.10167	3.6
157.46747	1.6
159.11748	9.6
161.13312	4.6
163.11237	9.3
163.14951	1.9
163.68062	1.4
165.09151	5.1
165.12756	3.3
169.10194	1.7
171.07942	1.5
171.11769	2.4
173.09679	1.8
173.13300	6.4
175.11179	3.3
177.12787	3.2
179.14394	2.2
183.11789	2.3
187.11172	3.3
187.14871	1.6
189.11253	6.5
189.12749	1.6
195.13840	2.0
197.13316	2.7
199.14984	1.7
201.12762	2.2
215.14110	1.6
229.19542	5.2
233.18941	1.5
239.17986	4.8
247.20601	6.0
251.29330	1.6
257.19037	14.9
275.20108	100.0
281.48148	1.4
293.21155	32.6
293.28351	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02385	1.3
52.33859	0.9
53.03943	4.5
55.01876	1.5
55.05268	1.4
55.05515	18.8
57.07067	2.1
59.05008	1.2
59.58854	0.8
65.03949	1.3
67.05511	34.9
69.03420	1.1
69.07076	17.7
69.80596	2.2
69.81011	3.8
71.04996	1.0
79.05501	71.6
81.07065	42.8
83.05000	2.1
83.08627	9.3
85.06539	2.0
91.05492	28.8
93.07052	100.0
95.04974	5.1
95.08617	30.1
95.09247	1.4
96.34022	1.0
96.73882	1.0
97.06538	2.1
97.10161	4.3
98.21456	1.0
99.08144	0.9
99.27537	0.9
99.96229	1.1
105.04526	3.0
105.07036	16.6
107.04951	1.2
107.08604	58.0
109.06490	3.0
109.10165	14.7
111.08086	1.8
115.07601	1.4
116.12942	1.2
117.07027	3.1
119.08582	13.4
119.55100	0.9
121.06520	1.1
121.10152	50.8
123.08066	4.4
123.11709	3.7
129.07007	2.7
131.08566	6.1
133.06461	1.0
133.10158	13.9
135.08073	1.8
135.11700	53.4
137.09607	1.9
138.16440	0.9
139.11172	1.4
143.08624	2.4
145.10095	5.0
147.11703	10.7
149.09639	3.2
149.13275	32.3
151.07495	1.8
157.10130	1.2
159.11694	5.9
161.13272	9.4
163.11162	1.9
163.14845	11.7
165.12694	1.2
171.11681	3.3
173.13251	2.3
175.11238	1.6
175.14824	6.9
177.12761	2.6
185.13292	3.9
189.12732	2.3
195.13783	1.4
199.14859	3.1
203.14359	2.2
207.13792	1.6
213.16417	1.8
217.19542	2.4
221.15332	2.0
231.17477	1.3
231.21268	1.8
235.16975	2.8
241.19505	4.7
249.18575	3.1
259.20575	9.1
281.46814	1.0
291.19717	6.3
291.23193	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.93383	0.9
52.44253	0.9
53.03945	2.1
55.01863	1.6
55.05515	20.0
57.03429	2.1
57.07086	6.5
61.62299	0.9
62.09769	0.9
65.03939	1.0
67.05514	33.0
69.07075	37.4
69.44504	4.9
69.44919	2.1
69.99560	1.0
71.04994	1.3
71.08633	1.6
79.05074	1.3
79.05502	18.5
81.07063	100.0
83.08624	15.2
84.08138	1.0
85.06554	17.7
91.05488	9.2
93.07052	45.8
95.04977	1.4
95.08617	87.5
97.06528	2.8
97.10182	9.9
98.21406	2.2
99.08107	15.3
105.07040	13.9
107.08601	54.0
109.06497	1.7
109.10167	54.9
111.08091	4.1
111.11758	5.4
113.09635	3.8
119.04985	1.2
119.08593	12.2
121.10156	37.2
123.08048	1.7
123.11722	27.0
125.09624	5.1
127.03938	1.3
127.11145	1.9
131.08534	1.2
133.10146	10.3
135.11711	32.8
136.06201	1.9
137.13266	8.7
139.11180	2.9
141.07033	1.2
147.04414	4.4
147.11711	10.5
149.13269	50.1
151.14816	2.9
153.12769	1.0
159.11679	1.5
161.13278	8.6
163.14830	34.4
165.16447	1.3
167.14323	1.6
175.14851	4.3
177.16364	13.2
181.15875	3.1
189.16360	3.4
191.17982	7.5
195.17442	3.0
202.07806	2.5
203.08577	4.6
203.17958	6.6
204.07809	1.5
205.08614	1.6
205.19475	1.8
209.19031	3.4
217.15866	1.2
217.19498	9.2
219.08150	2.1
219.21111	1.4
220.08884	2.0
221.19044	4.3
231.08038	8.1
231.21120	1.5
232.08798	1.6
233.22760	1.6
235.20604	5.4
247.07631	1.2
247.24184	1.9
248.08315	6.1
259.07529	6.8
260.08429	5.5
273.25769	12.8
276.07889	3.9
291.10190	26.2
291.26849	74.7
292.17685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21498	0.8
51.41075	0.6
55.99208	0.7
56.96563	0.8
57.07061	1.5
58.99589	4.1
59.56593	0.7
60.04525	0.8
67.05489	2.4
69.03416	1.0
70.06592	2.5
71.50636	1.3
76.02232	8.4
81.07049	0.9
82.06583	3.8
83.04974	0.9
84.04470	2.1
84.08150	86.8
85.02911	1.3
86.99051	2.9
87.05573	1.6
95.04997	1.0
97.02932	0.8
100.07631	9.1
102.05537	1.0
105.00116	4.8
109.02866	0.9
110.06078	1.3
112.02198	2.4
117.03401	1.6
119.04926	1.1
122.02734	51.6
126.09154	4.8
128.07079	1.4
129.10248	29.3
130.03276	2.2
138.05580	1.1
140.07021	0.8
145.02859	0.8
146.05997	0.9
147.04436	1.7
149.04761	1.1
154.08641	100.0
171.11264	4.5
188.07315	3.7
195.05249	1.3
200.07088	1.6
210.32936	0.9
210.55531	0.8
216.07095	0.9
233.09653	1.4
246.07695	1.7
292.08408	1.4
292.12115	3.4
292.19385	1.0
293.14966	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	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.02370	0.2
53.03929	0.7
53.04150	0.2
55.01877	2.2
55.05515	8.9
55.26937	0.2
55.43533	0.2
57.03422	0.6
59.05003	0.2
65.03932	0.4
66.91440	0.2
67.05507	5.7
69.03435	1.7
69.06734	0.2
69.07072	3.4
69.93877	0.4
69.94263	0.3
71.04990	0.9
79.05498	7.0
80.06256	0.2
81.03423	1.1
81.07060	7.4
83.04987	1.7
83.08150	0.3
83.08623	3.8
85.06540	0.3
87.81335	0.2
91.05487	7.1
93.03334	0.2
93.06488	0.3
93.07048	6.6
94.04168	0.3
95.04969	3.7
95.08617	2.9
97.02873	0.4
97.06506	0.4
97.10173	3.9
101.09658	0.2
103.05460	0.5
103.40998	0.2
105.03351	0.2
105.07036	6.8
107.04966	4.4
107.08604	3.6
108.05730	0.5
109.06524	0.8
109.10162	1.4
110.24633	0.2
111.04509	0.3
111.08113	0.4
115.05462	0.5
116.06228	0.6
117.07023	3.7
119.04943	1.5
119.08591	6.1
120.05720	0.3
121.06516	2.6
121.10139	1.6
123.08052	1.3
123.11738	0.3
125.09637	2.4
128.06226	0.6
129.07008	1.5
130.07796	0.5
131.08577	3.8
133.06503	3.8
133.10132	1.5
134.07309	0.8
135.08052	2.0
135.11682	0.5
137.09602	0.4
137.20068	0.2
141.07039	0.2
142.07771	0.4
143.08572	1.8
145.06483	0.6
145.10115	3.1
147.08051	4.5
147.11717	0.5
149.09642	1.5
151.07520	0.3
151.11145	0.2
153.09160	0.3
156.09268	0.2
157.10107	1.1
159.08076	0.2
159.11691	0.8
161.09660	1.3
161.13319	0.4
162.10402	1.1
163.11197	0.9
165.09102	0.3
169.10201	0.2
171.11607	0.8
175.11209	1.0
177.12663	0.3
185.13249	0.3
187.71191	0.2
189.11174	0.9
189.12643	0.3
193.12195	0.2
195.11682	0.5
203.14342	0.2
207.13840	0.2
213.12868	0.2
215.14384	0.2
217.15846	0.2
223.13278	1.5
223.74850	0.2
233.15387	0.2
245.19031	0.5
249.14856	1.6
255.17372	0.5
261.14902	0.5
263.16418	0.2
273.15469	0.2
273.18500	5.6
291.19550	100.0
292.19791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	4.6
53.80178	1.7
54.39236	1.4
55.01880	12.4
55.05278	2.5
55.05521	39.1
57.03433	4.9
59.05003	2.1
60.89182	1.6
65.03923	1.8
67.05514	30.8
67.23650	1.4
69.03429	6.4
69.07079	9.8
70.45344	3.5
71.04997	3.8
74.70554	1.5
79.05505	53.1
81.03429	3.4
81.07068	52.9
82.19592	1.6
83.05012	7.7
83.08632	17.2
85.06551	3.1
91.05492	57.1
91.22543	1.6
93.07057	23.0
95.04999	10.6
95.08629	11.1
97.02882	1.8
97.06520	1.6
97.10188	26.2
103.05518	1.7
105.03397	3.6
105.07055	24.7
107.04422	1.3
107.04982	13.9
107.08618	22.9
109.06505	4.3
109.10163	9.0
111.08065	2.6
115.05465	4.0
116.43338	1.5
117.07039	31.2
119.04929	4.6
119.08595	60.4
121.06513	15.0
121.10155	6.6
123.08062	3.7
125.09647	24.2
128.06241	4.2
129.07021	12.5
130.07834	3.3
131.08578	28.5
132.05704	5.5
133.06500	5.5
133.10146	8.9
135.08080	13.7
135.11664	2.7
137.09596	2.0
143.08592	14.6
145.06505	3.4
145.10150	26.9
147.08069	45.2
147.11777	2.6
149.09639	3.6
155.08585	2.7
155.10626	1.8
157.10176	9.4
159.08081	3.3
159.11711	10.2
161.09610	6.4
161.13242	1.8
163.11194	4.7
167.08571	2.4
169.10089	1.8
169.57774	1.7
171.10178	5.0
171.11761	4.8
173.13448	1.5
175.11209	2.3
185.09694	2.3
185.13229	2.4
189.11232	13.9
193.10391	1.4
195.11691	3.0
205.12265	2.0
213.12773	1.7
223.13330	2.9
227.18007	4.3
237.16367	2.9
245.19012	4.0
249.14813	7.4
252.50960	2.3
255.17538	9.3
273.18530	100.0
286.88406	1.5
291.19583	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05529	6.4
57.07075	3.4
57.21690	1.1
59.05012	3.4
61.72306	1.2
67.05512	5.9
70.76694	2.3
71.05005	4.3
79.05499	5.8
81.07059	7.9
83.04992	2.6
83.08621	3.9
85.06565	2.8
91.05483	4.4
93.07053	11.2
95.04994	4.5
95.08614	14.3
97.06535	4.7
98.20866	1.6
105.07045	11.9
107.04968	5.8
107.08604	9.6
108.05722	1.6
109.06531	7.8
109.10176	4.1
111.08093	26.1
113.09686	1.3
117.06983	3.1
118.71381	1.2
119.08628	8.2
121.06510	3.8
121.10138	7.1
122.07308	1.4
123.08081	34.6
125.09652	1.5
131.08598	5.8
133.06473	2.6
133.10129	9.1
135.08067	7.6
135.11693	2.9
137.09621	3.4
143.08621	2.5
144.09410	1.5
145.10139	16.9
146.08293	1.2
147.08052	4.2
147.11702	8.1
149.09636	5.6
151.07564	100.0
155.10716	2.7
156.09409	1.9
157.10138	6.8
159.08099	1.5
159.11708	6.8
161.09650	4.5
161.13307	1.6
163.11191	3.8
171.11732	4.1
173.13339	6.3
174.10431	2.2
175.11232	3.6
177.09158	2.1
177.12730	2.7
179.10719	4.7
179.96707	1.2
181.12247	1.7
187.11241	6.4
187.14688	2.1
189.12782	27.9
191.14337	8.8
192.11459	5.0
197.11749	17.8
197.13339	3.2
203.14314	2.0
207.13824	66.3
213.16414	4.2
215.14395	6.0
217.12271	3.7
221.49950	1.3
231.17496	2.9
233.15401	20.1
235.13419	2.1
255.17462	2.9
273.18546	8.5
291.19583	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1958
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.44098	0.7
53.03947	2.0
54.19295	0.8
55.01868	1.7
55.05515	8.8
56.79323	0.9
57.03435	1.5
57.07067	3.4
59.04998	3.3
67.05502	4.7
67.77393	0.8
69.03427	2.3
69.07066	2.2
70.77068	2.0
71.04990	4.3
75.54905	0.8
79.05506	11.7
81.07072	8.9
83.04973	2.7
83.08632	9.8
85.02908	1.5
85.06566	2.2
91.05449	4.7
93.07054	11.3
95.04971	4.7
95.08619	17.1
97.06546	6.0
103.05477	0.9
105.07055	11.5
107.04960	14.8
107.08598	8.7
108.05756	1.1
109.06522	7.9
109.10152	2.8
111.08093	46.7
113.09653	1.4
117.06969	1.8
119.08591	7.8
121.06503	2.6
121.10158	7.4
122.07291	1.4
123.08082	36.0
123.11723	1.3
125.09624	1.8
131.08585	7.4
133.06500	3.9
133.10143	10.0
135.08102	6.2
135.11690	3.0
137.09625	2.6
142.07759	2.3
143.08606	2.4
145.10147	6.2
147.08080	3.3
147.11700	6.6
149.09647	6.8
149.13284	1.6
151.07561	100.0
155.10667	2.9
156.09378	2.0
157.10168	4.6
159.08096	1.8
160.08864	1.1
161.09666	3.3
161.13254	1.5
163.11235	2.7
167.10542	0.9
171.11717	4.0
172.12567	0.8
173.09708	2.2
173.13274	7.3
174.10394	1.2
175.11198	6.1
177.09154	2.6
179.10751	5.3
181.12253	1.9
185.13350	1.1
187.14749	1.6
189.12762	28.5
191.14319	15.5
192.11603	4.0
196.37082	0.8
197.11729	18.1
197.13252	2.0
202.60201	1.0
203.14400	0.9
207.13824	69.4
211.13330	2.5
213.16408	1.6
215.14272	4.6
217.12289	3.6
227.17706	0.8
231.17422	2.9
233.15393	50.6
235.13388	2.1
241.23325	0.9
249.18529	1.6
252.98978	0.9
255.17471	3.9
273.18539	8.8
291.19583	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03936	4.8
55.01867	2.0
55.05514	16.5
57.07069	3.0
65.03938	2.9
67.05510	35.1
67.43384	1.1
69.07072	18.5
70.96091	3.5
73.06564	1.2
79.05498	73.9
81.07064	49.5
83.04993	2.9
83.08617	7.5
85.06525	2.6
91.05483	26.5
93.07050	100.0
95.04969	5.1
95.08613	33.5
97.06523	1.7
97.10178	5.6
99.08125	1.5
105.04520	2.6
105.07033	17.8
107.04968	1.5
107.08601	60.9
109.06533	2.0
109.10164	18.6
111.08073	1.5
115.07590	1.2
117.07039	4.0
119.08585	13.2
121.10155	53.3
123.08096	1.9
123.11716	4.1
125.90823	1.5
129.06979	1.7
131.08562	6.0
133.10150	13.4
135.08093	3.5
135.11703	61.5
137.09618	2.3
137.13184	1.7
143.08585	3.5
145.10136	3.3
147.11719	10.1
149.09645	4.0
149.13264	40.1
151.07477	1.6
151.11142	1.9
159.11699	5.3
161.13263	7.1
163.11221	3.4
163.14851	9.1
171.11703	3.2
173.13246	3.4
175.11186	2.4
175.14832	5.1
177.12776	3.5
185.13289	3.4
189.12772	3.0
199.14861	4.1
203.14389	1.8
207.13753	1.6
209.15375	2.6
213.16357	2.1
235.16917	2.9
241.19550	5.8
259.20554	8.7
291.23203	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.44896	0.7
52.55436	0.6
53.03941	1.7
55.01865	2.9
55.05523	6.9
55.77354	0.7
57.03451	4.0
57.07070	1.9
59.05002	3.3
67.05515	11.3
69.03440	3.4
69.06729	1.2
69.07075	15.1
70.45840	1.3
70.46234	1.4
71.05007	3.2
71.08614	0.7
79.05068	1.2
79.05502	16.2
81.03413	2.4
81.07068	23.7
83.04984	3.2
83.08629	5.5
85.02918	0.8
85.06549	3.5
91.05499	12.2
91.82009	0.7
93.07056	32.5
95.04970	4.1
95.08617	19.6
97.06543	4.0
97.10184	3.8
98.16430	0.7
99.08123	1.5
105.07039	17.4
107.04945	4.2
107.08602	17.5
109.02876	1.1
109.06528	19.3
109.10165	9.2
111.04432	1.4
111.08086	4.2
111.11735	3.4
115.05438	1.5
116.16989	0.7
117.07029	4.0
119.04953	0.9
119.08598	10.2
121.06519	2.3
121.10158	39.0
123.04450	0.7
123.08098	4.5
123.11739	5.8
125.09661	3.5
127.07603	0.7
128.06232	1.7
128.53827	0.8
129.07008	2.9
131.08598	6.8
133.06511	2.1
133.10143	5.3
135.08061	10.4
135.11699	3.5
137.05945	0.9
137.09656	2.5
137.13269	2.3
139.11214	2.1
141.07054	1.1
142.07787	1.3
143.08534	3.8
145.06523	0.8
145.10141	5.8
147.04460	2.1
147.08076	3.2
147.11722	5.1
149.09639	14.0
149.13257	5.0
151.07574	3.5
151.11171	1.0
153.09128	1.2
155.08620	1.0
155.10666	1.1
156.09305	0.8
157.06467	1.4
157.10165	6.2
159.08076	2.4
159.11765	2.4
161.05992	3.4
161.09630	3.2
161.13292	1.8
163.07512	0.8
163.11188	1.2
163.14822	1.9
163.96266	0.7
165.12791	1.3
167.10696	100.0
169.10216	1.4
171.08035	0.9
171.11713	3.1
173.09634	2.1
173.13300	4.0
175.03978	0.8
175.07565	2.2
175.11197	4.2
175.14938	1.3
177.05623	1.0
185.09639	1.9
185.13316	1.3
187.07559	1.6
187.14832	1.3
189.05455	2.5
189.09187	3.7
189.12750	2.2
189.16367	1.3
190.06303	2.1
191.10681	3.4
191.14343	3.7
195.08113	1.9
197.13266	1.7
198.06816	0.8
199.07582	1.7
199.11299	0.8
199.14815	0.9
203.07092	2.1
204.07872	9.6
205.08615	9.6
207.06525	1.1
207.13872	1.1
213.09140	4.4
213.16478	1.9
215.14281	3.5
217.08632	2.8
217.12294	1.5
217.15919	2.8
217.19640	1.4
231.10175	6.9
231.17450	1.2
233.15407	11.4
233.17569	1.4
241.08585	2.1
245.08012	1.2
245.15352	0.9
245.22609	1.0
255.10548	0.7
255.17575	3.6
259.09695	5.5
273.03891	1.3
273.11346	2.2
273.15262	1.1
273.18527	13.8
273.25708	1.6
291.05200	0.7
291.09348	1.4
291.12323	8.5
291.16003	1.3
291.19565	22.7
291.23126	4.4
291.26425	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	291.123
Annotation	2-(Acetyloxy)-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	2.1
55.05525	13.0
57.03441	10.4
57.07076	3.4
58.66167	1.0
59.05011	23.4
67.05232	1.2
67.05521	14.2
69.03436	4.8
69.07079	19.4
70.06578	1.6
71.04999	3.0
71.49538	1.1
71.52137	1.5
79.05505	10.8
81.03443	5.6
81.06586	2.0
81.07066	32.7
83.04990	3.5
83.08629	8.2
85.02911	3.5
85.06557	6.1
87.04477	4.0
91.05495	10.7
93.07064	19.4
93.35816	1.1
95.04988	4.5
95.08623	27.2
97.02884	1.5
97.06548	2.5
97.10175	4.9
98.97567	2.2
98.98489	1.4
99.04491	1.3
99.08102	4.3
100.11266	3.7
101.06031	1.5
103.05470	2.8
104.41747	1.1
105.07054	11.5
107.04964	1.6
107.08616	16.1
109.02835	1.3
109.06520	3.0
109.10182	15.7
111.04436	1.5
111.08095	4.0
111.11732	1.5
115.05481	4.0
117.07047	5.7
119.04987	1.6
119.08591	10.2
121.06559	2.0
121.10159	11.7
123.04469	1.6
123.08100	2.2
123.11720	8.2
125.09661	3.7
127.03928	2.0
128.06291	3.6
129.07048	5.5
131.04944	1.9
131.08583	4.6
133.06528	1.9
133.10141	6.8
135.08098	3.5
135.11716	10.5
137.05978	1.8
137.09628	2.1
137.13289	4.2
139.11259	1.9
141.07054	2.9
142.07768	1.6
143.04990	3.7
143.08586	4.0
144.05724	1.8
145.06516	4.7
145.10144	4.4
145.61063	1.1
147.04428	9.3
147.08113	2.1
147.11679	5.3
149.05939	2.3
149.09639	3.5
149.13272	10.1
153.06979	1.5
153.12759	1.3
157.06523	6.2
157.10138	3.9
159.08031	3.5
159.11717	3.4
160.05212	2.8
161.06007	20.7
161.09598	2.2
161.13293	3.3
163.07561	4.2
163.11226	1.7
163.14885	3.7
165.07080	1.4
167.08611	4.5
169.06540	3.4
169.10136	1.7
170.07314	1.4
171.08035	5.6
171.11678	1.8
173.06053	3.6
174.06834	3.0
175.03931	11.2
175.07576	11.8
175.11217	2.3
175.14839	1.8
176.04765	2.1
177.05519	7.2
177.09210	1.7
177.16348	2.1
185.06007	4.6
185.09683	4.0
185.13287	1.4
187.07635	8.1
189.05502	29.8
189.09149	13.4
189.12766	1.9
190.06268	19.0
191.07068	4.6
191.18013	2.0
195.08017	5.6
198.06862	2.5
199.07579	4.0
201.05516	5.5
201.09158	1.7
203.07045	14.1
203.10753	4.2
204.07857	100.0
205.08638	96.7
207.06548	4.8
210.14862	1.4
213.09126	12.7
215.07045	7.5
215.10674	2.0
216.07834	1.6
217.08617	9.8
217.19489	1.8
219.10106	1.7
227.07173	1.8
229.08682	2.4
230.09401	2.9
231.10185	28.7
233.08109	18.6
237.16414	1.3
241.08583	8.2
245.08151	4.1
245.11792	2.9
247.09624	7.8
247.16937	1.7
259.09668	18.4
269.20642	1.6
273.11270	5.4
273.18475	8.4
273.25894	4.6
274.15198	3.4
291.09247	6.3
291.12350	97.1
291.19461	16.3
291.23276	2.8
291.26788	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.07085	3.3
53.03944	4.7
55.05513	29.7
57.07071	4.9
59.05007	61.8
61.35372	3.2
67.05507	12.4
69.07071	10.5
71.52748	4.6
73.65433	3.3
79.00525	3.2
79.05488	5.6
81.07056	12.7
83.04966	3.8
85.06550	100.0
88.59910	3.7
89.78967	3.7
91.05464	16.5
93.07050	27.3
95.05007	4.2
95.08617	30.7
95.40318	3.1
99.08110	17.3
105.07040	12.6
107.08600	13.0
109.06506	3.2
109.10162	4.5
111.08101	5.0
117.07027	7.4
119.08628	18.5
121.10165	5.5
125.09640	33.6
126.48699	3.3
127.03896	10.2
129.06992	4.2
131.08540	15.9
133.10152	14.2
135.08101	4.9
135.11755	5.1
139.11223	3.9
142.07796	7.8
143.08562	12.9
144.09425	3.8
145.10138	14.8
147.11693	9.3
151.11159	3.7
155.08565	6.1
156.09381	4.5
157.10149	31.1
158.10912	8.5
159.11693	21.3
169.10168	10.1
171.11690	9.4
173.13326	34.7
173.41765	3.5
177.12798	4.3
183.11758	29.4
185.13287	4.6
191.14343	6.6
195.11720	4.3
197.13316	13.9
199.14862	8.4
201.12744	11.8
209.13239	3.8
213.16545	7.0
215.14320	7.7
217.15938	3.7
224.15555	7.1
239.17957	21.6
257.19031	12.2
260.95016	3.5
271.20566	11.3
289.21667	98.6
305.50674	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	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.02377	0.5
53.03942	1.5
55.01880	5.1
55.05516	6.4
57.03432	0.9
57.07080	2.1
57.14996	0.4
59.21903	0.4
65.03935	0.7
65.85770	0.4
67.05509	11.4
68.99800	1.0
69.03419	1.5
69.07072	27.9
71.04996	1.3
71.08643	0.6
73.94472	0.4
77.03924	0.8
79.05499	17.9
81.03442	0.7
81.07062	21.2
83.04994	1.1
83.08629	4.7
84.04472	0.5
85.02911	1.1
85.06545	4.5
91.05473	5.0
93.07049	12.4
95.04978	3.1
95.08613	16.5
95.64742	0.4
97.02930	0.8
97.06538	99.5
97.10171	1.7
99.08082	2.3
99.68645	0.5
103.05498	1.1
105.04505	0.7
105.07047	9.7
106.38592	0.4
107.04962	1.2
107.08601	11.0
109.02872	0.7
109.06521	1.4
109.10162	9.7
111.08083	1.7
111.11710	1.6
113.09656	0.9
117.07024	1.3
119.04961	2.1
119.08587	8.1
121.02847	0.4
121.06525	1.0
121.10152	9.4
123.03587	0.4
123.04434	10.3
123.08124	0.7
123.11720	9.1
125.09654	1.4
127.02975	0.9
127.03925	16.3
129.07030	0.8
131.04942	3.1
131.08533	2.4
133.10135	6.8
135.04445	1.8
135.08064	0.9
135.11713	6.9
137.02353	0.5
137.05962	1.3
137.09615	0.7
137.13266	2.1
139.11182	1.8
143.08563	0.7
145.06500	0.8
145.10141	3.7
147.04417	9.7
147.08051	0.5
147.11700	7.8
149.02390	0.5
149.05986	0.8
149.13261	5.7
151.03879	0.5
151.11191	0.9
151.14832	0.6
153.01782	0.4
153.05484	0.5
153.06967	0.4
153.12779	0.5
157.06546	0.4
159.08083	0.8
159.11722	4.1
161.05995	1.1
161.13272	5.8
163.03929	7.1
163.14816	3.3
164.04668	1.3
165.05484	14.8
165.12793	1.9
167.14261	0.6
171.08075	0.6
173.09663	0.5
173.13298	2.7
175.03909	7.0
175.07535	1.8
175.14799	4.1
176.04611	1.6
177.05434	0.6
177.16386	1.8
179.14395	0.8
185.05956	0.4
187.07474	0.7
187.14886	2.1
189.05478	6.2
189.09142	0.5
189.16373	3.4
191.03435	5.4
191.14438	0.4
191.17853	0.5
192.04149	1.2
193.04984	15.9
193.15938	1.0
199.07556	0.9
201.05478	1.0
201.09167	0.9
201.16362	1.9
203.03409	49.1
203.17906	1.1
204.03812	0.5
207.17435	1.1
215.07016	1.1
215.18021	2.7
216.04179	4.6
217.05078	0.9
217.08612	4.4
217.19690	0.5
219.10193	2.8
219.17447	1.0
227.07047	0.8
229.04866	0.4
229.08392	0.5
229.19571	0.6
231.21094	0.8
233.19057	0.9
242.05486	0.4
245.08112	43.4
245.22630	2.4
261.11240	10.0
271.09729	1.2
271.17044	0.6
271.24228	5.4
289.06110	6.5
289.10715	100.0
289.25269	28.5
290.11115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03942	1.5
55.01880	5.1
55.05516	6.4
57.03432	0.9
57.07080	2.1
57.14996	0.4
59.21903	0.4
65.03935	0.7
65.85770	0.4
67.05509	11.4
68.99800	1.0
69.03419	1.5
69.07072	27.9
71.04996	1.3
71.08643	0.6
73.94472	0.4
77.03924	0.8
79.05499	17.9
81.03442	0.7
81.07062	21.2
83.04994	1.1
83.08629	4.7
84.04472	0.5
85.02911	1.1
85.06545	4.5
91.05473	5.0
93.07049	12.4
95.04978	3.1
95.08613	16.5
95.64742	0.4
97.02930	0.8
97.06538	99.5
97.10171	1.7
99.08082	2.3
99.68645	0.5
103.05498	1.1
105.04505	0.7
105.07047	9.7
106.38592	0.4
107.04962	1.2
107.08601	11.0
109.02872	0.7
109.06521	1.4
109.10162	9.7
111.08083	1.7
111.11710	1.6
113.09656	0.9
117.07024	1.3
119.04961	2.1
119.08587	8.1
121.02847	0.4
121.06525	1.0
121.10152	9.4
123.03587	0.4
123.04434	10.3
123.08124	0.7
123.11720	9.1
125.09654	1.4
127.02975	0.9
127.03925	16.3
129.07030	0.8
131.04942	3.1
131.08533	2.4
133.10135	6.8
135.04445	1.8
135.08064	0.9
135.11713	6.9
137.02353	0.5
137.05962	1.3
137.09615	0.7
137.13266	2.1
139.11182	1.8
143.08563	0.7
145.06500	0.8
145.10141	3.7
147.04417	9.7
147.08051	0.5
147.11700	7.8
149.02390	0.5
149.05986	0.8
149.13261	5.7
151.03879	0.5
151.11191	0.9
151.14832	0.6
153.01782	0.4
153.05484	0.5
153.06967	0.4
153.12779	0.5
157.06546	0.4
159.08083	0.8
159.11722	4.1
161.05995	1.1
161.13272	5.8
163.03929	7.1
163.14816	3.3
164.04668	1.3
165.05484	14.8
165.12793	1.9
167.14261	0.6
171.08075	0.6
173.09663	0.5
173.13298	2.7
175.03909	7.0
175.07535	1.8
175.14799	4.1
176.04611	1.6
177.05434	0.6
177.16386	1.8
179.14395	0.8
185.05956	0.4
187.07474	0.7
187.14886	2.1
189.05478	6.2
189.09142	0.5
189.16373	3.4
191.03435	5.4
191.14438	0.4
191.17853	0.5
192.04149	1.2
193.04984	15.9
193.15938	1.0
199.07556	0.9
201.05478	1.0
201.09167	0.9
201.16362	1.9
203.03409	49.1
203.17906	1.1
204.03812	0.5
207.17435	1.1
215.07016	1.1
215.18021	2.7
216.04179	4.6
217.05078	0.9
217.08612	4.4
217.19690	0.5
219.10193	2.8
219.17447	1.0
227.07047	0.8
229.04866	0.4
229.08392	0.5
229.19571	0.6
231.21094	0.8
233.19057	0.9
242.05486	0.4
245.08112	43.4
245.22630	2.4
261.11240	10.0
271.09729	1.2
271.17044	0.6
271.24228	5.4
289.06110	6.5
289.10715	100.0
289.25269	28.5
290.11115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21228	5.0
56.96578	5.3
67.11648	5.1
69.37212	42.9
70.06602	15.0
82.06592	12.0
84.08141	12.0
86.06038	5.6
92.29122	5.1
98.97613	10.8
100.07629	28.5
101.00896	11.4
103.00642	18.7
114.05537	16.8
115.02454	6.6
117.02208	7.2
119.01924	16.6
121.01714	25.4
128.07065	17.1
133.01698	8.7
133.03482	9.2
140.75314	5.0
143.01918	6.4
145.03453	6.7
146.08130	54.3
157.03477	10.0
161.03012	7.5
163.02672	11.3
170.59587	5.2
170.99640	10.5
173.01152	6.2
173.02922	6.0
175.04556	8.0
189.00693	14.7
203.03914	7.1
217.00188	14.9
219.01683	7.6
247.61696	5.5
249.02773	10.2
259.12976	12.7
260.02029	5.1
267.03589	5.6
291.08432	100.0
291.10809	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40536	3.4
50.64478	3.4
55.05521	6.3
56.05052	4.0
56.96572	57.0
57.03434	10.8
58.06593	3.9
59.05013	4.2
61.02929	10.8
67.06382	3.6
69.03436	33.9
69.98936	8.1
69.99315	8.6
70.06587	15.5
70.22467	3.8
71.05007	6.7
72.08157	5.4
73.02939	9.6
81.03430	8.3
81.07066	4.4
83.05000	6.5
84.04500	9.5
84.08162	10.6
84.96049	18.2
85.02914	41.5
86.03266	5.0
86.09715	14.4
87.04486	6.2
87.10045	8.1
91.05470	7.7
93.07059	3.9
95.04971	4.9
97.02893	35.7
98.97594	100.0
99.04451	10.3
100.07624	8.8
100.99175	4.0
101.00904	24.6
103.00681	9.6
103.02452	5.0
106.77013	4.2
109.02860	7.3
110.00928	4.0
110.97588	11.9
112.99161	4.0
113.00875	4.7
114.05518	7.8
115.00674	6.7
115.02440	5.1
115.03957	5.5
115.48904	3.4
116.98634	30.3
119.01946	42.0
119.04966	5.0
121.01669	18.5
122.22820	3.8
124.99115	21.8
127.03931	16.5
127.04984	5.2
128.07054	3.8
128.98619	10.4
129.02170	4.5
129.05498	12.9
129.06586	7.1
130.08685	7.5
131.01918	17.6
133.01733	4.4
133.03497	17.3
134.99651	8.1
136.06183	6.9
136.07568	6.4
137.02956	5.9
137.06023	20.2
139.02580	4.5
143.00186	36.6
143.01907	16.3
144.13869	4.9
145.01712	6.9
145.03476	17.9
145.05083	6.3
146.08127	9.2
147.04324	8.9
149.01256	6.8
155.01892	8.4
157.03511	11.6
157.13364	4.7
158.99696	17.3
160.02231	4.8
161.01242	31.3
161.02989	16.2
162.99155	3.7
163.02777	6.6
170.99629	9.9
171.05049	5.2
173.01375	5.8
173.02968	10.5
175.04573	19.7
175.06039	3.8
177.00732	15.5
177.04294	4.5
179.07449	3.9
185.02983	12.6
186.99173	5.7
187.04605	6.4
189.00723	16.8
189.02483	14.1
191.02240	7.7
191.03912	4.7
195.05130	6.0
201.00693	8.2
201.02428	9.7
201.04266	6.7
203.03995	11.9
205.00215	16.7
205.03780	4.3
206.55457	4.0
217.05513	8.6
219.01773	11.3
219.03514	15.7
221.05121	8.6
222.05057	4.4
223.01260	14.1
231.03500	13.1
237.02713	8.8
242.56688	3.9
245.05103	5.7
248.99171	6.2
249.02769	11.6
254.07854	4.8
259.12875	7.1
267.00146	7.5
267.03799	5.7
273.08215	5.6
273.12036	4.1
276.07559	4.3
277.04221	5.5
291.05392	6.3
291.08551	78.3
291.13043	8.6
291.19260	5.0
299.09930	6.4
309.05154	5.1
309.08502	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	289.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.3
57.03429	5.0
58.97567	3.6
62.01383	3.8
63.37463	4.0
67.05504	20.2
69.03439	34.1
69.07073	26.8
69.13953	34.1
69.14379	13.2
71.05006	66.6
73.06545	4.8
74.34084	3.7
79.05482	17.8
81.07066	56.0
83.04986	12.8
83.08653	6.2
84.04474	4.3
85.02908	5.3
85.06543	8.9
88.52234	5.5
91.05502	16.2
93.07027	32.4
95.04985	8.4
95.08614	32.8
97.06557	24.3
98.20786	8.3
99.08102	18.8
105.07045	25.3
107.08620	29.4
109.06551	11.3
109.10175	38.7
111.08081	7.1
115.81732	4.4
117.07037	4.7
119.08605	18.0
121.06509	6.7
121.10150	41.3
123.08131	7.0
123.11695	6.3
125.06011	5.0
125.09644	16.4
127.03931	86.8
127.11206	100.0
131.08594	10.3
133.10144	18.0
135.11676	5.9
137.09641	67.2
139.11177	14.0
145.10149	14.6
147.11705	20.3
149.06033	5.6
149.09636	88.5
149.13274	8.8
151.11200	5.2
153.09128	8.6
153.12697	4.7
155.10696	71.6
157.10275	5.1
159.11682	8.7
161.09669	4.5
161.13223	8.2
163.11220	11.4
163.14772	5.1
164.07213	5.0
165.12776	6.9
167.10695	96.9
171.11708	4.8
175.07533	6.3
175.11221	6.1
175.14806	4.8
177.16403	5.5
183.13966	4.6
185.11736	18.2
187.07552	10.7
187.14775	5.1
189.16389	10.9
193.16014	5.0
199.14963	5.5
201.09048	20.9
205.15871	13.0
211.07541	8.2
216.04175	5.8
217.15868	14.7
223.16982	77.1
225.09171	13.0
229.08650	5.9
235.16953	91.3
245.08167	15.8
253.18016	46.2
271.09720	9.7
271.19086	99.9
289.06003	43.5
289.11142	9.6
289.15256	6.7
289.18170	12.2
289.25244	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	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.2
56.88471	4.1
57.22267	4.6
62.65084	5.2
67.05503	19.3
69.03437	23.9
69.07064	20.9
69.19334	42.1
71.05009	45.6
79.05499	17.7
81.07066	55.2
83.04965	12.3
85.06554	8.2
87.95578	4.8
91.05480	10.7
93.07070	28.4
94.30110	4.8
95.04911	6.2
95.08624	29.2
97.06542	23.8
99.08112	9.7
105.07028	22.7
107.08613	28.2
109.06522	10.1
109.10177	28.7
119.08596	20.3
121.06505	6.6
121.10146	32.5
123.08106	12.0
123.11720	6.3
125.09688	12.0
127.03938	100.0
127.11205	95.3
129.25632	4.9
131.08578	12.8
133.10110	15.9
135.11655	7.3
137.09634	61.1
139.11188	11.3
145.10147	10.6
147.11732	14.4
149.05836	4.8
149.09641	80.3
153.09181	7.3
155.10683	76.7
159.11760	8.7
161.13268	5.6
163.11227	6.2
165.06956	4.6
167.10690	79.6
169.10251	6.1
175.07539	5.2
185.11789	19.8
187.07516	8.4
195.02937	6.4
201.09140	13.5
205.15868	11.0
208.12349	5.7
217.15793	9.4
223.16963	68.8
225.09129	14.3
229.08577	10.4
235.16940	71.9
245.08115	15.9
253.17920	41.5
271.09714	13.3
271.19141	75.6
289.05862	42.2
289.11118	6.4
289.25281	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	289.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16401	4.0
52.11385	4.7
52.29939	4.5
53.03949	4.9
53.18171	4.1
55.05514	6.7
59.04989	6.6
67.05507	22.1
69.03445	21.9
69.07064	22.2
69.19676	43.2
71.04997	64.0
73.06567	4.6
79.05495	22.8
81.07058	42.6
83.04994	10.6
83.08614	5.3
85.02931	5.4
85.06522	11.7
91.05479	16.1
93.07056	28.1
95.04999	5.0
95.08616	35.1
95.66318	4.9
97.06566	23.0
99.08087	10.7
102.84994	4.9
105.07049	19.8
107.08612	29.8
109.06516	14.1
109.10170	33.1
109.49699	5.0
111.04458	4.3
111.08077	6.0
119.08582	20.1
121.06498	6.7
121.10172	38.1
123.08087	11.4
125.09647	16.0
127.03933	94.1
127.11207	83.2
131.08533	6.8
133.10138	14.1
135.11711	10.3
137.09634	59.4
139.11224	10.6
140.79253	5.0
145.10152	15.2
147.11684	19.5
149.06029	5.3
149.09630	76.9
149.13286	8.6
155.10681	71.5
157.10080	6.0
159.11711	10.6
161.13295	8.4
163.11256	8.9
164.07085	6.6
165.12816	5.1
167.10686	81.0
173.13301	9.6
175.07649	6.2
185.11716	10.6
187.07544	11.3
187.14876	5.0
189.16389	10.6
193.15938	8.7
201.09138	9.6
205.15878	14.2
211.07555	7.0
217.15866	20.6
223.16951	75.2
225.09158	9.2
226.31601	4.9
229.08690	6.5
235.16956	100.0
245.08258	8.8
253.18036	44.5
271.09726	9.4
271.19107	80.5
289.05923	29.6
289.10840	10.2
289.17990	9.4
289.25168	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	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.04903	0.2
53.03942	0.2
53.74833	0.2
55.01870	0.4
57.03431	0.4
58.34420	0.2
61.02919	0.7
61.53828	0.2
69.03432	1.6
70.80087	0.3
71.04979	0.2
73.02926	0.2
81.03413	0.7
85.02915	4.2
91.03940	0.4
97.02914	1.5
99.04458	0.3
109.02896	0.6
127.03930	100.0
128.04207	0.3
130.84828	0.2
145.05005	1.0
160.64983	0.2
166.37808	0.2
280.01361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.155
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03944	0.5
53.37410	0.3
55.01868	0.8
55.05508	1.8
57.03432	0.9
57.07071	0.4
67.01855	0.6
67.05502	1.6
69.03421	0.7
69.07071	2.6
71.05010	0.4
71.51766	0.4
79.05492	3.1
80.05043	0.5
81.03429	0.4
81.05801	0.5
81.07064	4.3
81.25037	0.3
83.04971	0.8
83.08607	0.9
85.02905	1.2
85.06538	0.5
91.05488	5.9
92.06270	0.5
93.07053	2.9
94.06564	1.2
95.04970	1.1
95.08611	2.9
96.08124	1.9
97.02894	0.4
97.06525	3.5
97.10180	0.6
98.97570	0.3
99.08067	0.4
100.21714	0.3
103.05470	0.5
104.05000	0.7
105.07025	2.9
106.06586	2.6
107.04974	0.8
107.08612	2.1
108.08125	1.1
109.06519	0.6
109.10149	1.3
111.04410	0.3
111.08031	0.3
116.04974	0.7
117.05781	1.5
117.07027	1.4
118.06554	5.7
119.04943	0.6
119.07330	0.6
119.08601	3.5
120.08115	13.7
121.02927	0.4
121.06525	0.7
121.10166	1.5
122.09663	1.0
123.04426	1.1
123.11728	0.6
124.06716	0.7
124.07601	11.2
126.05469	0.3
126.09191	1.2
127.03925	14.5
129.06998	0.5
131.04941	0.6
131.08585	1.2
133.10181	1.5
134.06030	6.2
134.50974	0.3
135.04482	0.4
135.06763	0.4
135.08046	0.9
135.11710	0.9
136.07585	5.6
137.05992	0.7
138.05489	1.9
139.03848	0.3
143.08571	0.7
143.98778	0.3
145.06499	0.6
145.10120	1.4
146.04909	0.2
146.06006	6.9
146.07088	0.6
147.04448	0.7
147.06804	2.7
147.07970	0.5
147.11703	1.3
148.06387	0.6
148.07581	11.0
149.02385	0.5
149.05933	0.5
149.09570	0.4
149.13275	0.7
150.09154	1.5
151.03931	0.4
152.07106	1.1
155.08563	0.4
157.10126	0.4
159.08073	2.6
159.11679	0.9
160.05208	1.0
161.05943	1.0
161.09554	0.4
161.13246	0.8
163.03967	0.6
163.07619	0.3
164.07079	100.0
165.05524	0.4
165.07806	0.8
166.08665	3.1
170.09680	0.3
171.11667	0.4
171.41061	0.3
173.05980	0.9
173.09610	0.6
173.13254	0.5
175.03839	0.4
177.05496	1.4
183.08000	0.5
185.09677	0.4
187.07597	0.4
187.14867	0.6
189.16447	0.4
191.03407	0.4
193.04997	0.5
195.03015	0.5
198.09163	0.5
200.10780	0.7
201.09126	6.4
201.16420	0.5
202.12294	0.5
203.03421	1.1
203.07039	6.8
203.08772	0.5
214.10991	0.6
215.15582	1.7
215.17398	0.4
216.10202	2.5
225.09232	0.5
226.12196	0.7
228.10254	0.3
229.08562	0.5
229.13373	1.6
232.09831	0.4
243.10332	0.4
243.14954	5.5
243.17290	0.6
245.08000	0.9
245.11768	10.9
245.16422	2.8
247.06000	1.0
253.13361	1.3
253.15764	0.5
254.11728	0.8
258.01105	0.4
261.11218	0.6
271.09619	1.5
271.14435	22.3
271.16907	1.4
271.24039	0.6
289.06512	3.8
289.10446	3.4
289.15463	80.3
289.17990	3.6
289.24847	2.8
290.15732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.1
57.03436	2.2
58.99870	1.7
59.92419	0.9
61.02928	1.4
64.88608	0.8
65.65295	1.0
68.98297	1.1
69.03432	4.1
69.53754	5.1
69.54161	1.5
70.06593	3.9
70.99870	2.4
72.08192	2.0
73.02922	1.0
75.53407	0.8
78.02814	1.1
81.04549	4.3
82.99847	10.5
83.01739	0.9
84.08138	3.7
85.02910	5.7
85.79375	1.0
86.09720	1.2
86.99298	0.9
89.00881	1.2
95.04982	0.9
97.01429	6.7
97.02901	4.4
98.20765	1.9
98.97601	3.1
100.07642	2.1
101.00903	78.5
103.02469	1.1
109.07661	2.0
113.00887	12.6
115.02461	23.9
116.07127	1.3
117.04036	3.0
119.01946	100.0
126.05577	1.1
126.98769	2.8
127.02424	2.8
127.03928	15.3
127.05045	5.3
127.08710	1.5
129.00319	1.0
129.03996	7.8
131.01945	21.5
133.03493	28.7
135.05075	1.8
137.02979	11.7
139.02438	1.3
142.03520	1.5
143.00854	1.8
143.01926	26.0
143.08182	1.0
144.99864	4.4
145.03484	9.6
147.01404	3.3
147.05055	7.5
149.02995	2.1
151.04524	3.5
155.01904	5.1
157.03511	4.5
159.01393	3.0
161.02986	49.7
167.01888	1.6
168.99867	15.7
171.01419	9.2
173.03000	16.0
175.00925	3.4
175.04517	2.3
177.02455	1.8
179.04062	1.5
185.03027	6.5
187.00912	32.8
187.04533	1.8
189.02516	10.1
191.04082	10.1
196.99377	9.9
197.02962	1.4
199.00891	12.4
199.04575	1.9
201.02437	7.1
203.04030	1.6
205.01999	13.0
205.03749	1.9
207.03555	2.2
215.00417	36.9
217.02005	19.3
219.03578	10.2
221.05144	1.3
229.01985	13.9
229.15546	2.7
230.15831	3.2
231.03447	3.0
233.01482	5.2
233.99426	1.3
235.02997	1.1
247.03053	42.4
247.08452	1.4
259.03052	2.3
265.04156	7.2
270.04602	1.1
277.04037	2.8
284.06052	2.1
289.04062	12.3
289.07516	12.9
289.11420	1.6
289.17712	1.6
289.20593	1.8
293.03394	1.4
307.05136	9.4
307.08597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01868	1.3
55.05519	1.1
56.20889	0.6
57.03428	0.9
57.07071	0.6
59.90551	0.7
61.74072	0.7
65.03954	1.6
67.01858	0.7
67.05506	1.3
68.99800	3.5
69.03415	2.4
69.07059	2.2
71.04989	0.7
71.36498	0.6
71.36822	0.7
79.05496	1.3
81.03405	1.2
81.07037	2.2
84.04504	0.8
84.08148	1.1
85.02887	3.0
91.05491	4.4
93.07032	1.3
95.04970	1.6
97.02910	1.8
97.06527	1.2
98.97589	1.2
99.04456	0.8
105.07036	1.4
107.04967	24.6
107.08588	1.1
109.02885	1.0
109.06506	0.7
109.10168	1.5
111.00779	0.8
111.04443	0.7
119.04956	2.7
119.08559	0.9
120.08037	0.7
121.02863	9.4
123.04375	1.5
125.09612	0.9
127.03934	23.8
127.11221	0.7
128.06192	0.7
129.06984	0.9
131.04958	1.7
131.08600	1.5
131.96750	1.2
135.04373	1.2
137.02348	0.9
139.03821	0.8
140.07137	0.9
141.06976	3.4
143.08607	0.8
145.02861	1.6
145.06499	1.3
147.04396	1.9
147.08057	2.8
149.02353	65.1
151.27762	0.6
153.01846	23.1
153.06982	0.7
159.04468	0.9
159.08084	1.3
163.03900	1.3
167.03421	1.6
169.06505	6.1
171.02853	0.7
173.06021	1.9
181.06517	1.1
185.05991	0.8
187.04054	0.9
187.07555	2.8
195.02940	2.1
196.27998	0.6
197.05989	8.6
198.09256	0.7
201.05652	0.8
203.07018	0.8
215.07033	68.8
225.05479	2.3
225.10196	1.1
228.04013	0.8
233.09204	1.2
235.17021	0.7
243.06548	100.0
245.04382	0.8
246.04836	0.8
253.04988	1.7
253.09628	0.9
254.08379	0.9
261.07635	0.8
271.06036	40.7
271.10385	4.3
289.03516	1.1
289.06900	5.3
289.11777	8.1
289.16025	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.9
55.05502	3.7
56.96556	2.7
67.05505	5.1
69.03436	3.3
69.07042	4.6
69.60270	15.6
70.06603	12.2
71.04999	3.0
71.06933	2.9
72.08156	4.6
79.05484	2.7
81.03411	3.1
81.07053	6.4
83.04975	7.3
84.08144	9.5
85.02915	10.6
86.09727	2.9
91.05490	3.3
93.07043	4.7
95.04961	2.5
95.08588	3.5
97.02882	5.6
98.97560	2.6
99.04450	3.0
100.11249	15.6
105.07011	3.7
107.04967	2.9
109.02859	6.0
111.04449	5.5
115.05512	2.9
117.66020	2.0
121.02871	5.9
121.10205	2.3
123.04462	3.8
124.03898	2.9
126.09186	6.9
127.03931	100.0
127.07590	2.6
128.04283	2.6
130.06519	3.5
132.08447	4.9
133.10155	2.6
136.03937	2.6
137.02327	2.7
137.06050	3.7
139.03937	3.1
139.07544	2.3
157.07646	2.4
158.06050	3.5
163.03873	3.1
167.03386	2.8
180.00529	5.4
182.04491	9.9
185.02065	11.9
187.07584	4.4
195.02893	21.5
201.09090	2.6
213.01660	6.2
215.07025	4.1
229.01099	87.5
229.04916	5.1
243.06509	3.2
243.11360	4.2
245.04507	3.0
245.12869	4.9
247.05931	3.8
257.00613	31.1
261.07443	3.1
261.12152	2.4
271.10776	11.0
271.20117	3.4
275.01639	2.7
289.03235	99.2
289.06927	10.6
289.11948	39.6
289.18362	2.7
289.21164	13.3
298.03513	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03437	4.0
58.99866	1.0
61.02919	2.9
65.41576	0.9
68.98289	0.9
69.03444	8.1
69.86543	3.9
70.03780	1.6
70.06587	3.1
70.86458	0.8
70.99863	1.8
71.04989	1.3
72.08165	1.1
73.02916	4.3
81.03410	3.9
81.04549	6.4
82.06594	6.4
82.99857	8.9
84.08153	1.9
85.02443	1.2
85.02922	19.1
86.03230	1.5
86.09695	1.1
87.04479	2.1
89.00910	1.3
91.02448	1.3
95.42695	0.8
97.01413	7.8
97.02921	7.2
98.20855	2.2
98.97633	1.9
99.03010	1.0
99.04444	1.3
100.07639	14.6
100.34577	1.1
101.00900	74.9
101.07964	2.7
102.00983	1.2
103.00603	1.1
103.02426	1.7
109.02921	5.7
109.49419	0.9
113.00890	12.2
115.02456	26.1
115.03899	1.1
117.04023	3.7
119.01939	100.0
126.98850	4.4
127.02415	3.1
127.03927	43.2
127.05029	13.5
129.03062	1.1
129.03996	12.8
131.01930	26.6
133.03493	30.1
135.05057	3.1
137.02982	11.3
139.02444	2.1
142.03528	1.2
143.01924	25.4
144.99846	4.1
145.03481	8.8
145.04909	2.1
146.02284	1.3
146.08122	4.0
147.01405	3.6
147.05092	11.2
149.03017	2.4
151.04549	2.7
155.01921	7.0
157.03481	6.7
159.01422	2.8
159.03151	1.1
161.02988	39.9
161.87859	0.9
162.03128	2.4
163.04478	1.7
167.01950	3.4
168.99863	18.7
169.03476	2.4
171.01421	9.2
172.99321	1.4
173.02994	17.8
174.03084	1.1
175.00960	2.1
175.02441	1.1
175.04579	2.3
177.02571	1.5
179.02153	1.1
179.04004	1.8
180.99936	1.0
183.05144	2.3
184.04607	1.1
185.02969	12.3
186.03217	1.6
187.00916	35.6
187.04523	2.7
189.00925	1.6
189.02489	11.1
190.05699	1.1
191.04044	10.6
196.99333	9.4
197.03049	1.4
198.55666	1.1
199.00948	8.7
199.04561	1.8
199.06358	2.2
201.00943	1.1
201.02542	6.9
203.04062	7.6
205.01991	14.1
207.03503	4.3
209.02988	2.7
211.04593	1.3
213.02457	1.0
215.00410	42.0
215.03870	2.2
217.02008	15.7
217.05391	1.8
219.03563	10.9
221.05122	1.7
227.03976	3.3
228.07207	4.3
229.01999	19.2
229.07405	7.6
229.15437	1.5
231.03606	2.2
233.01468	5.8
235.03061	1.5
235.06711	1.6
239.04013	1.3
245.05112	1.0
246.08310	4.3
247.03056	55.2
247.08450	7.8
251.04309	1.9
259.02896	1.6
265.04086	9.4
270.04648	1.9
271.02899	1.5
277.04135	1.2
277.07788	1.0
289.04065	11.6
289.07709	15.1
289.14987	2.2
307.05145	6.4
307.08829	5.2
311.06354	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60683	0.6
53.03940	0.9
55.01875	1.1
55.05499	1.2
57.07089	1.1
60.06204	0.7
65.03941	1.9
65.52817	0.6
67.05505	4.8
68.05049	0.8
68.99809	1.5
69.03423	2.2
69.06726	1.2
69.07076	14.2
70.06588	2.4
71.05005	3.9
71.36089	1.2
78.04700	1.2
79.05499	5.2
80.05019	2.7
81.03423	1.9
81.07054	2.8
82.06593	1.0
83.04991	2.2
84.04494	1.0
84.08145	1.0
85.02943	1.3
85.06536	0.7
86.09712	1.5
91.05493	9.1
92.05029	0.8
93.05779	2.9
93.07053	3.2
94.06582	12.0
95.04976	3.5
95.07410	0.7
95.08614	2.1
97.02903	1.3
97.06546	5.4
99.04472	0.8
103.05462	0.8
104.04994	5.4
105.03440	0.9
105.07052	2.0
105.23343	0.7
107.04960	1.1
107.07384	1.0
107.08601	2.0
109.02840	1.0
109.06538	2.6
109.10162	1.5
110.06071	5.3
111.04488	0.7
112.07639	2.5
116.05000	2.0
117.05766	1.7
117.07015	1.1
118.06554	100.0
119.07340	18.3
119.08610	2.6
120.08119	9.1
121.02890	5.2
122.06040	20.9
123.04443	1.1
123.08071	3.2
124.07588	1.5
125.06034	1.7
127.11216	1.5
128.07089	3.2
128.08170	1.0
129.07016	1.1
130.06534	0.8
131.04816	0.9
131.08572	0.8
132.08177	0.9
133.06422	0.8
133.08942	0.8
133.10167	2.2
134.06020	0.7
135.04413	0.7
135.08055	4.7
136.07611	1.1
137.02359	6.3
137.05959	1.5
140.07077	22.3
141.06985	1.4
142.08641	3.4
143.08574	0.9
144.08104	1.9
145.06531	0.7
145.08893	0.7
145.10115	1.5
146.06026	35.2
147.04425	1.9
147.06807	27.7
148.07588	41.6
149.02356	2.7
149.06033	1.2
151.11203	1.2
153.01825	3.5
153.06932	0.7
155.10681	0.7
157.06488	2.0
157.08817	0.9
158.09665	1.8
161.05948	0.7
163.03871	1.1
164.07094	6.9
165.01869	0.8
167.08748	0.8
168.08049	0.8
169.08896	0.8
170.09665	2.2
171.10406	2.2
172.07599	0.9
172.11278	0.9
174.05563	1.0
174.08980	3.3
177.06795	1.4
180.08035	1.1
181.08884	1.2
181.12196	0.8
182.09622	0.8
183.10504	1.0
184.07690	0.9
184.11307	1.6
185.05820	1.7
185.07283	4.6
186.09180	2.7
186.12758	1.0
188.10764	2.2
189.11517	4.8
191.14320	3.0
196.11256	1.8
198.09158	2.3
198.11250	0.9
198.12875	2.7
199.09962	3.9
200.07076	0.8
209.15398	5.1
211.10072	1.1
212.10774	1.4
213.05473	4.1
213.06921	1.4
213.11681	0.8
213.13907	1.2
214.12292	9.0
216.13902	3.6
221.15466	2.2
224.10776	3.7
226.12447	7.6
228.12669	0.7
231.06577	1.3
231.14911	1.0
233.15376	1.1
239.11879	0.9
241.04990	3.6
241.08606	2.2
241.13387	6.1
242.11789	36.7
243.14958	47.2
244.03654	2.0
251.11824	0.7
252.10373	1.8
254.10522	1.9
258.05222	1.6
259.06009	0.8
259.14444	3.7
261.16077	0.8
269.04489	1.3
269.09784	1.2
269.12848	29.3
270.11270	53.4
272.03098	1.0
280.27719	0.7
287.05524	87.5
287.10309	9.5
287.13931	46.5
287.17026	5.4
305.14975	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	288.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78221	1.8
51.91918	2.0
53.03946	8.0
55.01870	6.2
56.96564	7.6
57.03445	21.2
60.05645	4.3
60.08191	2.9
61.02930	24.4
62.62599	1.8
62.92809	2.2
68.98301	2.1
69.03085	4.0
69.03436	58.0
70.06596	18.1
70.66761	6.1
71.04990	7.9
72.08144	6.0
72.84951	2.1
73.02919	22.8
81.03429	29.3
82.06599	13.8
82.99886	2.2
83.01338	2.9
83.04979	3.2
84.08137	9.2
84.96017	3.3
85.02914	100.0
86.03256	3.2
86.03725	3.5
86.09709	8.3
87.04469	19.2
91.03944	6.5
91.05482	7.1
95.04981	2.5
97.02901	63.6
98.97596	16.2
99.04460	8.5
100.00112	6.0
100.05246	2.9
100.07619	30.5
101.00882	23.9
103.03928	3.1
107.05008	2.8
109.02882	21.5
110.97566	6.7
113.00842	6.2
115.02397	5.6
115.03927	4.5
116.07097	4.4
116.98646	4.3
118.01137	7.7
118.05483	2.4
119.01922	27.8
119.04945	9.9
121.02892	3.9
123.00317	2.0
126.05531	7.0
126.09112	2.2
127.02443	3.2
127.03932	40.5
128.02371	2.6
128.07112	2.8
128.98608	3.2
129.00342	2.1
130.08606	2.4
131.01881	10.5
132.95801	2.2
133.03445	8.8
135.03107	2.3
137.05986	27.4
138.06332	3.0
140.03371	3.6
142.01134	9.3
143.00215	4.6
143.01949	18.4
145.03482	7.9
145.05003	17.1
146.02322	2.7
146.08189	3.3
147.01433	2.9
147.04405	24.9
149.05991	3.6
151.07507	3.4
151.54398	2.2
155.01881	7.9
156.02692	3.2
156.07747	2.6
157.03494	17.0
158.99719	4.4
160.02187	7.2
161.02982	25.7
167.01935	3.1
168.02667	3.4
171.04080	3.0
173.01440	3.7
173.02942	10.3
174.04527	6.4
175.04562	9.8
175.11879	6.2
177.04002	5.8
179.07080	3.8
181.03464	6.7
181.05293	16.1
182.03352	4.0
182.06548	2.6
182.99588	2.6
185.02931	5.2
187.00943	4.2
187.04489	4.7
189.02437	2.9
189.04059	3.3
190.05812	8.8
191.03940	7.9
192.53065	2.5
195.05055	9.0
198.04669	7.6
198.06380	4.9
199.04564	3.6
199.06358	9.2
200.04564	4.3
200.06090	7.8
200.56215	2.4
201.00790	2.9
201.02475	10.9
203.03978	5.4
205.03419	2.1
207.05139	19.1
207.06433	3.1
207.06932	4.2
210.06122	2.6
216.05775	8.7
218.04414	2.4
219.01764	3.8
219.05104	21.1
220.05299	4.5
221.05003	5.3
222.45572	2.3
223.04637	3.0
228.07230	15.8
229.15453	26.8
237.06097	13.9
244.04256	4.3
246.08269	26.2
251.04442	8.1
254.94299	2.5
265.03998	2.7
269.05453	7.3
270.08069	2.8
276.07001	16.4
277.07468	3.8
279.07050	4.1
283.04898	4.0
287.06305	2.9
288.05865	7.3
288.09433	22.3
288.20248	15.6
293.05328	6.1
294.08005	20.0
295.08572	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	287.0914
Annotation	Linderone
Peak:m/z	Relative Intensity
53.03939	0.8
53.15139	0.5
53.62050	0.4
55.01862	1.5
55.05527	2.5
56.02646	0.5
57.03421	1.6
67.05489	1.7
68.99789	2.0
69.03436	3.1
69.07040	0.6
69.87281	2.5
71.01349	1.5
71.05002	0.5
73.02921	1.3
73.30798	0.5
74.77859	0.5
79.05492	2.0
81.03445	0.6
81.07043	1.6
83.01335	0.8
83.04989	10.8
84.02113	0.7
85.02903	5.3
91.05479	2.8
93.07046	1.0
93.55509	0.6
95.01310	1.6
95.04971	2.4
95.08614	0.8
97.02905	1.1
97.06550	1.2
99.00826	3.7
101.06004	0.9
103.05478	6.7
105.03423	0.7
105.07018	0.8
107.04947	1.5
107.08587	0.6
109.02919	0.8
111.00782	0.6
111.04446	5.9
112.01588	3.0
113.02361	2.3
113.05997	1.8
119.08596	0.6
121.02874	2.4
121.06512	4.7
123.04420	1.7
127.00284	4.1
129.05496	0.8
131.04938	13.3
135.04410	0.9
137.02342	2.0
137.05997	1.1
140.01018	1.8
141.01852	3.8
145.06522	0.9
147.04408	1.5
149.02385	1.1
149.05984	4.5
149.09587	1.0
151.03893	0.7
151.07545	0.9
153.01892	2.5
153.05461	2.0
154.99799	0.8
157.01324	1.2
159.02917	0.7
162.06772	1.3
163.03934	1.0
165.01857	1.3
166.02454	0.6
167.03410	0.8
168.00552	48.3
177.05458	1.7
177.09142	3.6
181.05040	0.6
183.02905	100.0
185.05968	0.7
186.01610	16.8
195.02948	0.7
199.11108	0.6
244.03720	1.5
244.25543	0.5
245.08247	1.1
258.05161	0.7
269.06488	0.8
269.18988	0.6
272.06628	0.7
287.05515	30.7
287.09143	80.4
287.23599	0.8
288.09183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01889	2.1
55.05526	1.9
59.66619	0.8
65.03945	2.1
66.04723	1.0
67.05508	5.9
68.05017	1.0
69.03423	3.8
69.07071	17.7
70.06595	4.1
70.92530	0.9
71.04980	3.0
71.50740	1.3
72.08165	1.6
78.04739	1.6
79.05502	6.1
80.05017	2.1
80.22470	1.0
81.03409	2.8
81.07085	5.7
82.06567	1.4
83.04977	6.4
84.08148	3.4
85.02904	2.5
85.06528	1.0
86.09715	2.0
91.05488	9.5
93.05799	4.3
93.07048	3.1
94.06576	17.0
95.04994	4.5
95.08596	1.6
97.02876	1.7
97.06541	7.9
98.97564	1.4
99.08089	1.3
103.05459	1.2
104.05013	4.6
105.07049	2.2
107.04953	2.1
107.07355	0.9
107.08633	1.7
109.02833	1.4
109.06512	4.2
109.10164	1.0
110.06048	4.0
112.07613	2.8
113.06036	1.1
115.05478	1.3
116.04993	3.7
117.05780	1.0
118.06553	100.0
119.07336	18.4
119.08199	1.1
119.08598	2.1
120.08118	10.9
121.02877	4.7
121.06527	1.3
122.06042	26.5
123.04435	2.5
123.08050	1.5
124.07603	3.8
125.06017	3.6
125.16315	0.9
127.03867	1.4
127.07577	1.7
129.06958	0.9
130.06551	1.4
131.08621	1.5
133.10135	1.1
134.06065	1.6
135.08089	1.6
135.09163	0.9
136.07495	1.1
137.02368	2.2
137.09590	1.2
140.07080	30.6
141.06976	1.6
142.08655	4.0
143.07071	2.5
143.08624	1.2
144.08075	2.1
145.06419	0.9
146.06024	58.7
147.04358	1.1
147.06813	30.8
147.07930	1.3
148.07587	51.6
149.09558	1.1
153.01845	5.6
155.07170	1.3
157.06535	1.4
158.09691	2.7
160.07545	0.9
164.07069	6.9
165.01842	1.8
167.07060	1.2
170.09679	2.3
171.10448	2.5
172.07581	1.4
173.09642	1.2
174.05606	1.8
174.09123	3.7
177.05441	1.6
177.06824	1.6
180.08049	1.0
181.08914	2.4
183.02875	1.3
183.10405	1.4
184.07605	1.1
186.09210	3.1
186.12856	1.8
188.10719	3.4
189.11543	5.5
196.11282	2.6
198.09291	1.9
198.12817	3.0
199.07559	1.0
199.09953	4.7
200.07135	1.0
200.10811	1.0
205.12233	1.6
210.09178	1.5
212.10719	1.2
213.05542	2.0
213.11662	1.0
213.13831	1.9
214.08844	1.7
214.12341	10.6
216.13885	4.2
224.10765	3.2
226.12515	7.2
233.11720	1.2
240.12650	2.0
241.04970	1.1
241.13385	7.6
242.11780	42.2
243.06563	1.5
243.14948	58.6
244.03781	1.7
245.04332	1.2
249.42595	0.8
251.12064	1.1
252.10226	1.2
254.10518	2.1
258.05389	1.1
259.14508	3.6
269.08627	1.1
269.09888	1.3
269.12842	34.3
270.11258	65.3
272.03323	1.2
287.05527	68.2
287.09140	4.7
287.10391	6.1
287.13904	55.4
287.16937	2.7
288.05820	1.3
305.14972	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	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.1
65.03939	0.2
67.01874	0.3
68.99432	0.2
68.99789	1.8
69.03415	0.2
71.25571	0.2
76.34630	0.1
79.05486	0.4
81.03417	0.4
103.05464	0.2
105.03382	0.7
107.04967	0.8
109.02876	0.6
111.00813	1.3
111.04427	0.2
121.02872	5.8
121.03877	0.3
127.03909	0.3
128.06206	0.2
129.07018	0.3
133.02849	0.6
135.04439	0.3
137.02356	1.9
141.07004	0.3
145.06491	0.4
147.04396	1.2
153.01837	8.7
157.06497	1.1
161.06001	0.3
165.00540	0.3
165.01852	2.9
171.04401	0.5
175.07655	0.2
183.02893	1.5
185.05971	0.9
189.05534	0.2
197.06071	0.3
201.05470	0.2
203.03458	0.2
203.07124	0.3
204.46431	0.1
213.05478	2.9
229.04965	0.4
231.06493	1.2
241.04922	1.4
242.05577	0.1
258.05298	1.9
259.06067	0.6
269.04498	0.3
287.05508	100.0
288.05789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.91422	0.1
66.36554	0.1
67.01586	0.1
67.01874	1.3
68.99791	1.1
69.26273	0.3
69.26696	0.7
79.05504	0.3
89.03907	0.5
91.05438	0.2
107.04942	0.3
107.39357	0.1
111.00826	0.2
111.04443	0.2
116.92014	0.1
117.03379	0.6
121.02887	0.3
121.91727	0.1
125.02342	0.2
129.01846	0.3
129.06966	0.1
129.92252	0.1
131.43109	0.1
135.03409	0.3
135.04422	3.8
137.02348	1.1
147.04390	0.1
150.03217	0.1
153.01837	10.0
157.06537	0.2
161.02379	1.1
163.03943	0.3
165.01895	0.1
171.02896	0.3
171.04387	0.2
177.05479	0.4
179.03380	0.5
185.05946	0.3
193.05026	0.2
199.03922	0.1
201.09859	0.1
203.07047	0.1
213.05443	0.4
220.38405	0.1
226.37228	0.1
227.06749	0.1
231.06534	0.3
241.04976	1.1
244.03648	0.3
245.04486	0.2
258.05106	0.2
259.06055	0.3
259.09592	0.3
269.04346	0.8
272.02994	0.1
272.06180	0.2
287.05508	100.0
288.05853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	4',5',7-Trihydroxy-2'-methoxyisoflavene
Peak:m/z	Relative Intensity
51.12700	0.3
53.03948	0.5
55.01881	0.5
55.05512	0.4
61.05730	0.2
65.03941	1.3
67.05504	0.6
68.99802	1.2
69.03444	0.4
69.07077	0.9
69.42941	0.9
69.43360	0.7
79.05509	2.1
81.03404	0.2
81.07070	1.6
82.04187	0.6
83.04981	0.8
84.44716	0.2
85.02908	0.5
91.05480	0.9
93.03399	0.5
93.07066	0.7
95.04987	1.0
95.08623	1.1
97.06556	0.9
98.20763	0.5
105.03387	0.6
105.07037	0.8
107.04965	1.5
107.08616	0.7
109.02866	0.4
109.06554	0.4
109.10197	0.6
110.03696	1.3
111.00793	0.6
111.04443	0.7
113.02427	0.3
117.07012	0.3
118.25178	0.3
119.04953	0.7
119.08604	0.9
121.02903	2.0
121.06565	0.2
121.10159	0.5
123.04456	5.2
123.11722	0.3
125.06020	2.3
128.06294	0.3
129.06966	0.3
131.04945	0.4
131.08551	0.5
133.02867	0.3
133.10179	0.5
135.04436	0.7
135.11754	0.4
137.02324	0.6
137.05998	2.0
138.03143	13.7
141.01787	0.4
145.06505	0.5
145.10144	0.6
147.04448	3.2
147.11681	0.7
149.05998	0.3
150.03101	0.4
153.01968	4.0
153.05492	100.0
154.05841	0.3
157.06519	0.7
157.10149	0.3
159.11700	0.7
160.05266	0.3
161.13319	0.3
162.03186	0.9
163.03961	1.2
165.01888	0.8
165.05510	0.8
169.01276	0.2
171.11668	0.5
173.13332	0.4
177.05473	3.1
177.06679	0.3
181.06541	1.0
183.02933	0.6
185.06004	0.4
187.14851	0.4
191.07111	0.5
192.17363	0.2
193.05048	0.6
199.07593	0.5
199.14885	0.3
209.05986	0.8
212.54816	0.2
213.05370	1.2
213.16502	0.3
226.06348	0.3
227.06960	1.4
229.05037	0.4
231.06657	0.5
237.05504	0.3
241.04987	0.9
241.08734	0.3
244.03735	0.4
255.06496	1.6
258.05292	0.5
259.05948	0.4
259.09708	1.3
269.04443	0.5
286.04379	0.6
287.05536	41.2
287.09103	8.4
287.20090	1.2
287.23700	1.1
288.06064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	Linderone
Peak:m/z	Relative Intensity
55.01877	0.4
55.77459	0.2
56.02634	0.5
65.83624	0.3
66.01144	0.3
68.99784	1.4
69.87492	0.3
70.56765	0.6
70.57101	0.5
79.05491	1.2
84.02126	1.0
91.05479	1.4
97.06547	0.4
99.00830	3.3
103.05482	7.6
105.03417	0.7
107.04961	0.7
112.01591	3.2
112.51080	0.3
121.02896	0.8
127.00298	3.6
131.04939	12.6
135.04416	0.4
136.50090	0.3
137.02350	0.8
138.75462	0.3
140.01041	1.4
143.08516	0.4
145.06477	0.5
147.83640	0.3
149.02371	0.4
151.03902	0.4
153.01834	1.2
154.99754	1.1
157.06558	0.3
161.94916	0.3
165.01840	0.4
168.00554	47.9
170.44492	0.3
173.06001	0.8
175.39650	0.3
181.04977	0.3
182.20660	0.3
183.02901	100.0
186.01610	16.5
195.02939	0.5
201.03978	0.3
214.70981	0.3
217.43527	0.3
221.13019	0.3
244.03654	0.5
245.08121	0.7
254.05734	0.4
269.13077	0.3
271.06003	0.5
272.06799	1.1
287.05527	11.4
287.09113	83.2
288.09454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.01871	0.5
61.69534	0.2
65.91614	0.2
67.01854	0.2
68.99798	1.9
69.03400	0.2
69.97456	0.9
81.07030	0.2
89.03932	0.8
91.05458	0.4
95.01399	0.2
95.04939	0.3
97.06528	0.4
98.21431	0.3
105.03378	0.9
105.07017	0.3
107.04985	1.0
107.08607	0.2
109.02903	0.4
111.00802	0.6
113.02357	0.5
117.03381	0.5
117.07032	0.2
117.77203	0.2
119.04939	0.2
121.02898	2.0
121.10104	0.2
123.00762	0.6
128.06212	0.3
129.07004	0.8
131.04910	0.9
132.05757	0.3
133.02859	0.3
133.10159	0.3
135.04413	0.6
137.02359	0.4
139.05409	0.2
141.06972	0.3
145.06477	0.6
147.04405	1.1
147.11739	0.3
149.02344	1.7
153.01845	14.3
153.05446	1.8
157.02818	0.3
157.06496	1.2
160.05235	0.4
161.02373	1.2
161.06003	0.5
161.28204	0.2
163.03900	0.7
165.01837	1.1
169.01355	0.6
171.04381	0.7
175.03925	0.5
175.07602	0.4
177.05499	0.6
183.02956	0.3
185.06012	1.6
189.05495	0.5
191.03448	0.5
197.05968	0.6
199.03926	0.9
199.31223	0.2
200.04590	0.3
203.07040	1.0
213.05461	4.2
216.04202	0.6
217.04962	1.2
229.05000	0.3
231.06544	4.7
241.04977	10.9
258.05246	0.6
259.06125	1.0
259.09534	0.3
269.04489	5.0
272.03174	0.7
287.05524	100.0
288.05838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01875	0.2
56.43304	0.2
65.03944	0.4
67.01865	0.3
67.07152	0.1
67.62648	0.1
67.77346	0.1
68.99793	2.2
69.03417	0.2
69.37265	0.7
69.37687	0.6
78.33564	0.1
79.05500	0.5
81.03466	0.2
97.02901	0.3
98.20731	0.3
102.47585	0.1
103.05464	0.2
105.03397	0.7
107.04979	1.2
109.02898	1.0
111.00814	1.5
111.04460	0.2
115.05494	0.3
119.04938	0.2
121.02888	6.2
127.03854	0.3
129.06985	0.2
133.02863	1.0
135.04427	0.3
137.02347	2.2
141.07008	0.3
145.06447	0.6
147.04405	1.4
153.01851	11.0
157.06512	1.4
161.06010	0.3
165.01852	3.7
171.04419	0.8
183.02917	1.5
185.06050	0.9
189.05464	0.3
201.05370	0.1
203.03473	0.2
213.05473	3.2
216.03999	0.2
229.05023	0.4
231.06584	1.4
241.04936	1.5
242.66000	0.2
243.06635	0.2
258.05258	2.2
259.05957	1.0
269.04446	0.3
287.05530	100.0
288.05798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97346	0.4
53.03941	0.6
55.05515	0.5
56.96560	0.6
57.03436	0.5
67.05502	0.5
68.05040	0.7
69.03423	1.7
70.06599	4.2
71.05004	0.6
71.50600	0.4
72.08159	3.0
73.02929	0.6
78.03457	2.5
79.05494	0.7
80.05019	3.4
81.03418	2.0
82.06567	2.8
83.05005	0.4
84.04494	0.6
84.08147	0.7
85.02908	3.7
86.09694	1.0
87.04451	0.4
91.05452	0.5
93.07051	0.4
94.02940	3.7
95.08600	0.4
96.04517	2.5
96.05024	0.4
97.02908	1.3
98.97589	1.0
99.04435	0.8
100.03974	0.4
100.07639	0.4
101.06068	0.4
106.02919	13.5
107.04951	0.6
109.02885	2.3
110.06032	0.4
112.01615	0.4
112.03973	1.0
116.07103	6.6
122.19357	0.3
123.04453	0.4
124.03961	100.0
127.03938	2.0
128.07088	1.3
140.07059	0.6
143.11803	1.7
144.06569	0.5
154.04979	0.4
168.00586	0.8
171.11351	0.7
179.66692	0.3
185.09326	0.6
186.01674	0.8
191.63043	0.3
199.59222	0.4
208.06203	0.4
211.10796	0.5
240.06895	0.8
250.07137	5.1
268.08246	3.1
268.15677	0.6
285.03928	1.0
286.04889	5.2
286.09262	46.1
286.12711	2.2
287.05460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48336	0.2
54.18076	0.2
55.01854	0.3
65.03931	0.3
67.05486	0.5
68.99802	1.5
69.03436	0.5
69.07053	0.9
69.40968	0.9
69.41393	0.9
71.04980	0.8
79.05483	1.0
81.03409	0.4
81.03864	0.3
81.07066	0.6
82.72289	0.2
83.04976	0.4
85.02911	0.3
91.05490	0.5
93.07028	0.4
95.04956	0.2
95.08605	0.3
97.06544	0.3
98.21194	0.9
99.08101	0.6
101.86067	0.3
102.46813	0.2
105.03383	0.8
105.07030	0.5
107.04968	1.3
107.08569	0.5
109.02876	0.7
109.06544	0.3
111.00808	1.3
119.04965	0.2
119.08546	0.3
120.08098	0.2
121.02882	5.2
121.10159	0.3
123.08044	0.6
124.04108	0.3
125.06042	0.3
127.03920	0.3
129.07024	0.6
131.05032	0.3
133.02838	0.7
135.04417	0.3
135.08041	0.5
137.02361	1.8
140.07079	0.5
141.07030	0.5
145.06499	0.4
146.05972	0.2
147.04430	1.2
148.07603	0.5
153.01842	8.8
157.06512	0.8
161.05980	0.5
165.01872	3.4
169.06450	0.3
171.04431	0.6
181.12263	0.7
183.02925	1.3
184.51463	0.3
185.06001	1.0
191.14297	0.4
203.03435	0.3
203.07005	0.3
209.15378	0.8
213.05478	3.1
229.05025	0.3
231.06509	1.4
233.15486	0.3
239.16609	0.3
241.05069	1.4
241.08588	0.7
242.11731	0.7
243.14929	0.5
244.03745	0.9
258.05261	2.1
259.06064	1.0
269.04486	0.5
269.09311	0.3
269.12842	0.2
270.11282	0.8
272.03214	0.9
274.06598	0.3
287.05524	100.0
288.05917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87632	0.1
52.25779	0.1
66.01084	0.1
68.99795	7.4
69.95862	0.3
69.96254	0.2
70.00565	0.5
70.10591	0.1
71.01369	0.1
72.73009	0.1
73.50775	0.1
81.07048	0.1
84.02129	1.2
89.03927	0.2
90.04696	0.1
91.05479	0.3
96.69646	0.1
97.62442	0.1
98.00019	0.2
98.21504	0.2
99.00812	0.3
99.65906	0.1
107.04974	0.1
108.02120	0.3
112.01596	0.8
118.04166	6.5
119.04998	0.8
121.02886	0.7
123.00807	0.2
127.00278	0.2
128.06223	1.2
131.04962	0.3
132.05710	0.4
134.03668	0.1
140.01050	6.1
144.05627	0.1
145.06500	0.3
147.04396	0.2
153.01823	0.4
155.04893	0.3
156.05695	0.9
157.06487	0.2
159.04439	0.6
160.05186	0.4
164.01019	0.2
168.00549	16.1
169.01343	1.7
171.04382	0.3
173.05948	0.3
183.04372	0.2
184.05193	2.6
185.05818	0.1
186.01613	5.8
187.03894	0.2
194.03615	0.2
201.05437	0.4
202.06400	0.1
211.03934	0.5
212.04649	2.1
213.05499	0.6
227.03406	0.2
229.04996	1.7
230.05719	0.2
239.03357	0.4
240.04185	2.4
241.05019	1.5
257.04480	1.1
258.05252	3.7
259.05768	0.1
265.29654	0.1
268.03659	1.2
269.04477	0.5
285.03958	18.9
286.04721	100.0
287.05075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0922
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
55.05509	0.6
56.05035	1.1
56.96565	1.2
57.03437	0.7
59.10691	0.3
60.04524	0.3
65.03956	0.6
67.05515	0.7
67.15096	0.3
68.05035	3.6
69.03436	2.5
69.07073	0.6
70.06593	6.8
71.04990	0.3
71.50739	0.4
72.08145	1.3
72.88301	0.3
73.02913	0.7
78.03471	2.0
79.05486	0.5
80.05013	2.7
81.03420	1.0
82.06577	0.6
83.04974	1.3
84.04518	0.4
84.08146	1.6
85.02896	3.5
86.09698	1.0
87.04485	0.5
88.03997	0.5
91.05480	0.4
94.02932	50.8
95.04973	1.5
96.04519	1.6
97.02869	1.7
98.06033	0.5
98.97595	2.1
99.04484	0.8
100.00156	0.4
100.07622	0.4
106.02918	6.4
107.04986	0.5
109.02885	1.4
111.04475	1.9
112.03971	10.1
112.07635	1.0
116.07108	3.0
116.98647	0.9
118.24181	0.3
119.04972	0.5
121.02860	1.9
122.02679	0.4
122.06027	0.4
123.04434	3.8
124.03957	100.0
125.04308	0.4
127.03919	1.0
128.07082	0.4
128.98578	0.4
129.05482	1.5
130.05017	0.4
139.03909	0.7
140.07077	0.8
141.02254	0.4
141.10196	0.4
143.00143	0.5
143.11826	0.6
147.04401	0.5
152.07074	0.3
154.08698	0.6
157.04933	0.6
164.08199	1.0
165.05482	1.4
168.00607	0.5
169.01469	0.3
169.03149	0.9
171.11305	0.4
173.09277	0.9
185.09247	1.5
186.01675	0.5
210.08693	0.5
212.06273	1.3
215.14076	0.4
217.07379	0.3
219.01703	0.5
223.07501	0.5
227.09215	0.5
237.02844	0.3
240.10306	0.8
243.06210	0.3
250.07100	2.4
254.07796	0.5
268.08115	1.7
275.54565	0.3
285.04004	0.6
286.04895	3.2
286.09235	35.3
286.16489	0.7
287.05582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05516	15.4
57.07084	3.8
67.05503	22.3
69.03444	2.7
69.07072	56.6
69.18261	18.1
69.18680	7.6
71.04984	8.1
77.52155	2.3
77.52610	2.3
79.05497	15.6
79.05901	2.5
81.07071	33.2
83.04964	7.2
83.08605	7.0
85.06545	3.9
91.05493	20.4
93.07064	30.7
95.04965	10.2
95.08618	46.6
97.06541	20.9
97.10168	9.6
99.08077	3.5
103.85901	2.6
105.07038	71.9
107.08598	39.5
109.06516	26.5
109.10169	27.8
111.08094	8.7
117.06995	4.9
119.08592	82.2
121.06475	12.2
121.10145	34.2
123.08094	2.7
123.11717	17.0
129.68840	2.7
131.08565	8.9
133.10141	63.0
135.08051	10.8
135.11705	18.4
137.09624	6.0
143.08514	7.0
145.10170	23.6
146.07259	7.6
147.11697	28.0
149.09544	4.3
149.13287	6.2
155.08554	5.4
157.10110	10.0
159.08095	3.8
159.11678	13.4
160.12543	3.7
161.09633	100.0
161.13254	11.5
169.10121	5.7
169.71542	3.1
171.11682	6.7
173.13293	8.0
175.14839	58.3
177.16385	10.6
182.10977	3.2
183.11717	6.1
185.13293	9.3
185.34837	2.7
189.16275	4.0
191.86435	2.9
193.15880	10.3
196.12389	3.0
196.68246	2.5
197.13321	7.8
199.14728	3.7
201.16357	3.7
203.17975	2.8
211.14836	8.2
215.17981	3.5
242.05771	7.9
267.21063	11.0
270.05188	5.5
285.04324	5.5
285.07584	33.1
285.22073	22.8
285.29910	3.3
285.33499	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88634	0.8
53.03940	1.8
55.01867	2.4
55.05518	14.7
57.03443	21.5
57.07078	1.0
67.05512	35.9
67.33049	0.9
67.74739	0.7
69.03410	0.8
69.06728	1.3
69.07075	18.0
69.44776	4.3
69.45198	1.6
71.04995	6.5
72.46318	0.8
79.05077	1.5
79.05505	18.3
81.03414	1.1
81.07065	100.0
83.04980	6.7
83.08632	11.4
85.02929	0.9
85.06549	6.1
91.05489	26.4
93.07062	13.2
93.97811	0.9
95.04970	3.1
95.08617	20.1
97.06540	9.3
97.10192	0.9
99.04469	1.0
99.08089	3.4
101.05988	1.9
105.07042	39.7
107.08604	14.3
109.06549	6.5
109.10136	1.3
113.06006	2.1
117.07054	1.1
119.08599	29.5
119.09467	1.5
121.10160	23.1
123.08053	3.9
123.11723	30.5
127.07561	3.3
129.07016	1.6
131.08594	1.7
133.10126	3.6
137.09605	1.2
137.13269	2.3
141.09122	2.0
147.11705	82.7
149.09679	1.3
157.10162	4.0
165.12766	49.8
175.11180	5.1
183.13800	6.5
193.12268	3.9
211.13297	1.8
213.05460	1.3
225.09171	1.4
229.14400	8.2
242.03439	1.7
242.05771	21.2
253.08601	1.1
264.34784	0.9
267.15848	5.5
267.20554	0.9
270.05249	33.3
279.31662	0.9
285.07617	64.8
285.16986	73.8
286.08160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.62522	2.5
52.84200	2.2
55.05512	21.3
57.03441	41.7
57.07072	5.5
67.05194	2.6
67.05515	32.7
67.07320	2.5
69.03419	3.6
69.07053	7.7
69.27338	5.6
69.27744	15.5
69.46770	2.7
71.04980	11.5
71.23995	2.3
79.05499	30.3
81.03424	89.6
81.07056	51.6
83.04992	14.2
83.08618	32.1
85.02909	74.5
91.05493	42.0
93.07049	26.6
95.04972	33.8
95.08614	20.1
97.02906	4.1
97.06542	6.0
97.10151	4.8
98.98508	3.7
99.08103	3.8
105.07043	31.9
107.04932	6.1
107.08603	12.4
109.06533	6.0
109.10139	7.2
111.04440	4.2
111.08096	16.8
113.06004	10.2
119.08591	29.7
121.10156	19.8
123.08060	5.3
123.11719	7.0
129.06982	10.9
131.08546	13.6
133.06502	5.8
133.10133	11.7
147.11705	26.2
149.09615	7.6
157.10162	20.7
165.12733	7.3
175.11198	24.3
189.22455	2.4
193.12242	100.0
211.13309	77.3
224.76079	2.4
237.82297	2.5
242.05719	15.3
248.14786	3.0
257.04407	3.3
267.15915	4.5
270.05225	8.8
285.04092	7.5
285.07584	60.8
285.16974	99.6
285.21936	5.6
285.29977	3.7
285.33490	5.8
286.04718	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.04983	2.9
53.03942	6.2
55.01872	3.4
55.05510	16.1
57.03445	19.2
57.07066	4.1
58.06591	3.5
64.93865	2.8
67.05508	32.3
69.03429	5.2
69.07059	10.3
71.04977	7.8
71.52156	3.5
79.05504	25.1
81.03421	100.0
81.06603	2.8
81.07062	41.6
83.04964	9.9
83.08624	29.7
85.02911	43.7
85.06554	5.3
91.05477	31.0
93.07031	18.9
95.04974	32.7
95.08608	18.6
97.02885	4.1
97.06514	8.6
97.10155	3.5
98.98451	5.0
105.07028	29.4
107.04949	8.6
107.08611	16.3
109.06527	6.1
109.10148	12.1
111.04405	5.1
111.08118	13.4
113.05991	7.8
117.06973	3.9
119.08597	31.3
121.06485	3.1
121.10146	26.1
123.08060	3.0
123.11702	7.5
125.09599	3.2
129.06969	14.4
131.08604	16.0
133.06528	6.5
133.10168	14.4
135.07977	2.6
135.11665	3.4
142.07732	3.6
143.08507	3.0
145.10088	11.5
147.08083	5.0
147.11710	24.4
149.09637	7.2
155.08534	3.4
157.10104	20.1
159.11665	6.5
161.17581	2.6
165.12753	9.5
169.10133	4.1
173.09607	3.5
173.13229	8.5
175.11208	18.4
187.14810	2.7
193.12248	93.3
197.13162	4.0
199.14844	6.5
211.13266	56.3
211.15236	3.1
239.17973	6.5
242.05658	19.7
243.13913	3.5
253.08536	4.0
257.04321	6.0
257.19147	3.2
267.15704	21.9
270.05304	14.3
274.33548	3.0
285.04111	8.0
285.07596	74.5
285.10718	2.4
285.16684	78.7
285.29944	14.4
286.04767	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03928	1.9
55.01864	1.6
55.05268	1.2
55.05515	14.9
57.03444	22.1
57.07051	1.2
65.03940	1.1
67.05509	34.2
68.99806	1.9
69.03421	1.1
69.07074	18.1
70.56567	1.0
70.56900	2.0
71.05009	5.8
73.06555	0.8
79.05074	1.2
79.05502	19.1
81.03374	1.2
81.07063	100.0
83.04993	8.0
83.08624	10.2
85.06543	5.5
91.05487	25.2
93.07047	12.0
95.04960	2.9
95.08613	22.3
97.06535	9.4
97.10188	1.5
99.08128	4.6
100.78575	0.8
101.06031	1.5
105.07040	37.7
107.08607	12.7
109.06552	6.6
109.10146	2.2
111.08012	0.9
113.05999	2.0
115.07565	0.9
119.04946	0.8
119.08592	27.0
120.46365	0.7
121.09335	1.5
121.10154	20.4
123.08082	5.6
123.10832	1.6
123.11720	30.0
127.07551	3.8
129.07002	2.8
131.08566	1.5
133.10144	3.0
137.13246	2.4
139.00227	2.1
141.09134	1.8
145.10173	0.9
147.11699	79.2
149.09641	0.9
155.08443	0.8
157.10155	3.7
165.12766	47.6
175.11214	4.5
183.12460	0.9
183.13792	5.6
193.12259	3.3
211.13258	1.0
225.09105	1.3
229.14339	8.2
242.05815	1.2
253.08549	1.2
257.04437	6.2
267.15833	6.6
270.05228	2.3
285.03937	9.9
285.07559	10.3
285.16974	67.1
286.04736	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01854	3.7
55.05515	14.3
57.03439	15.0
64.37415	1.0
65.03922	1.8
67.05508	30.3
68.99742	1.1
69.03406	3.9
69.07069	12.9
69.49956	7.3
69.50362	2.1
71.05000	5.1
75.98425	1.0
79.05492	21.7
81.03424	100.0
81.07058	62.2
83.04990	8.4
83.08619	27.5
85.02914	8.1
85.06522	4.7
91.05487	25.9
93.07057	16.0
95.04976	29.9
95.08620	14.8
97.02882	2.5
97.06522	6.8
97.10155	2.0
99.08070	3.2
105.07030	28.1
107.04967	10.7
107.08597	14.0
109.02898	1.1
109.06524	6.1
109.10126	4.4
111.04426	2.1
111.08091	14.3
111.66311	1.0
113.05994	1.7
115.05423	2.0
117.06995	2.1
119.08588	26.5
121.06488	2.3
121.10155	11.5
123.08025	4.8
123.11709	14.4
125.09628	1.6
127.07578	2.6
129.07011	11.8
131.08549	10.1
133.06474	3.0
133.10139	7.0
137.09602	1.8
142.07750	3.0
143.08508	1.4
145.10124	3.8
147.07994	4.3
147.11697	40.6
149.09671	5.7
151.03761	1.2
157.10133	10.4
159.11717	1.8
161.05975	2.2
165.07033	2.2
165.12769	24.6
167.99988	1.1
171.11714	1.1
173.13269	2.0
175.11200	17.2
183.11774	1.4
183.13779	4.3
185.13210	1.2
187.07578	1.1
193.06491	3.0
193.12256	60.5
210.06723	1.9
211.07527	1.6
211.13300	11.2
215.06972	1.8
221.05954	2.6
225.09076	5.1
229.08467	2.0
229.14297	4.3
238.06155	1.5
242.05663	3.2
253.08678	7.8
254.63570	1.1
257.04364	1.8
257.08078	1.4
267.15878	18.3
270.05096	3.3
285.03922	10.0
285.07532	31.2
285.11118	7.7
285.16916	44.3
285.22055	4.6
286.04617	3.4
286.36633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54500	2.7
55.01866	5.1
55.05518	26.9
57.03443	51.7
57.07061	11.0
60.69069	2.6
67.05183	3.8
67.05509	46.6
69.03416	4.0
69.07073	12.9
70.56099	3.2
71.04996	12.9
71.08621	5.1
71.52203	4.2
79.05499	42.8
81.03426	84.8
81.07066	58.0
83.05008	16.8
83.08625	38.7
85.02910	90.9
91.04981	4.1
91.05489	50.3
93.07050	29.2
93.63187	2.6
95.04976	44.6
95.08601	26.7
97.02907	3.4
97.06525	9.0
97.10136	3.9
105.07050	36.3
107.04943	6.3
107.05634	3.0
107.08575	13.5
109.06523	10.2
109.10136	7.9
111.04472	4.3
111.08079	18.7
113.05984	6.0
115.05439	4.1
117.06959	2.7
119.08588	37.1
121.06471	5.1
121.10175	16.2
123.08067	7.8
123.11719	6.0
129.07022	16.6
131.08597	17.7
132.89325	2.7
133.06477	3.6
133.10127	15.4
137.09663	3.4
142.07773	3.0
145.10126	4.9
147.11685	27.3
149.09607	10.8
155.15938	2.7
157.10132	24.4
163.11127	3.5
165.12740	8.7
169.96599	2.7
175.11195	29.8
193.12270	92.6
211.13297	72.1
242.05859	14.5
244.14662	2.8
267.15918	3.3
270.05212	8.6
285.04364	3.4
285.07556	63.6
285.10410	3.6
285.16959	100.0
285.23990	14.4
285.29465	4.0
285.33417	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
53.06255	1.3
55.01863	3.4
55.05520	15.5
57.03447	31.0
65.03944	1.5
67.05171	2.1
67.05509	22.8
68.99793	6.6
69.03424	3.6
69.07084	8.2
69.58407	8.1
71.01356	1.3
71.05000	6.4
79.05505	23.0
81.03427	61.2
81.06593	1.7
81.07064	31.3
83.04994	11.7
83.08627	22.3
85.02914	50.6
85.06554	1.7
87.04502	1.5
91.05494	31.5
93.06558	1.6
93.07060	17.4
95.04983	23.7
95.08620	10.2
97.02904	3.6
97.06555	3.9
97.10165	2.7
105.07034	23.4
107.04963	6.7
107.08610	9.2
109.06541	6.3
109.10151	4.4
111.04430	2.3
111.08087	13.8
112.01622	1.1
113.05991	3.5
117.07053	2.1
118.04179	3.7
119.04942	2.3
119.08591	20.9
121.06570	1.6
121.10155	11.7
123.08064	5.6
123.11699	1.5
125.09628	1.5
127.82881	1.3
128.06239	1.6
129.07034	8.3
131.08606	12.5
131.48682	1.1
133.06506	3.3
133.10132	11.0
137.09552	1.8
139.00305	1.7
140.01041	4.4
142.07802	2.2
145.10092	2.4
147.08098	3.5
147.11720	17.7
149.09648	6.0
155.04907	3.0
156.05775	1.4
157.10162	14.6
165.07004	1.5
165.12746	3.3
168.00584	8.9
175.11205	19.9
183.04509	1.9
184.05371	1.3
186.01585	3.6
193.06488	1.8
193.12263	65.9
197.05853	1.6
201.05496	2.5
210.06842	2.0
211.04024	5.8
211.13310	39.1
225.09113	4.4
229.05086	1.3
239.03477	3.6
240.04170	2.4
242.05804	2.3
253.08586	4.9
257.04343	6.6
258.05215	3.2
267.02875	2.3
267.15991	7.1
270.05228	3.1
285.03946	100.0
285.07526	17.8
285.11090	5.0
285.16977	75.3
286.04736	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03928	3.2
55.01865	3.7
55.05270	1.4
55.05513	20.5
57.03440	30.9
57.07067	1.3
59.04993	1.5
59.45752	1.1
61.86668	1.2
63.11475	1.0
65.03925	2.4
67.05507	42.0
67.48981	1.2
69.03423	3.8
69.07072	21.1
70.54173	1.5
70.54502	2.0
71.04993	10.2
74.43015	1.1
79.05492	30.4
80.49436	1.1
81.03423	100.0
81.07059	95.5
81.28820	1.1
83.04985	14.3
83.08617	30.9
85.02903	16.8
85.06555	7.8
91.05487	37.9
93.07049	20.1
95.04367	2.1
95.04973	31.7
95.08616	20.6
97.02891	1.3
97.06547	7.9
97.10154	2.9
99.08109	5.6
100.77684	1.2
101.06054	1.4
105.07038	43.4
107.04951	7.7
107.08589	15.2
109.06528	7.7
109.10155	3.8
111.04428	1.6
111.08078	12.7
113.06006	4.2
115.05426	2.6
117.07016	3.2
119.04922	1.4
119.08584	35.0
121.10156	22.6
123.08080	6.1
123.11712	24.1
125.09630	1.4
127.07561	3.1
128.06206	1.3
129.07027	11.5
131.08582	10.5
133.06503	2.2
133.10126	7.0
134.03601	2.2
134.58127	1.1
137.09607	2.4
137.13281	2.0
141.09071	1.6
142.07767	3.0
145.10144	2.4
147.08040	2.9
147.11696	74.0
149.09602	5.7
157.10141	14.8
165.11412	2.0
165.12772	36.0
175.11203	16.4
183.13783	5.4
183.52826	1.1
193.12253	71.3
211.13297	23.4
221.05901	1.2
225.09160	2.1
229.14365	8.4
253.08601	3.3
267.15915	17.7
270.05322	2.9
285.04059	2.8
285.07620	29.2
285.16971	81.1
286.04697	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01883	4.1
55.05516	21.8
57.03438	36.9
57.07065	9.8
59.05005	4.3
60.08160	16.0
67.05509	30.9
69.03410	4.6
69.07057	11.0
69.27591	23.6
69.27997	7.6
71.04994	8.3
79.05492	25.4
81.03425	68.5
81.07056	47.7
83.04972	12.5
83.08626	28.3
85.02916	64.7
91.05482	32.6
93.07056	28.1
95.04966	25.3
95.08617	17.1
97.02908	5.3
97.06516	5.0
97.10181	4.7
105.07041	33.2
106.93183	3.1
107.04954	7.3
107.08589	12.0
109.06516	6.4
111.04394	5.8
111.08042	14.3
111.21891	3.9
113.05999	3.5
119.08610	20.9
120.79728	3.4
121.10104	10.1
123.08103	6.9
123.11707	4.5
129.07011	12.2
131.08568	13.1
133.06491	4.8
133.10136	10.6
135.04431	3.3
135.11734	3.5
142.07796	3.8
143.56024	3.6
145.10094	5.7
147.11688	21.3
149.09619	10.1
149.11288	3.2
157.10117	15.2
165.12807	9.5
175.11188	26.8
193.12270	77.7
193.63210	3.7
197.06015	4.4
211.13297	60.3
242.05821	19.9
249.18689	3.3
252.30463	3.8
257.04425	4.2
267.15897	4.6
270.05295	22.0
284.33035	20.5
285.04050	9.2
285.07608	100.0
285.10663	4.3
285.16928	80.0
285.21921	7.9
285.33453	85.7
286.04779	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	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03937	3.7
55.01881	2.6
55.05511	21.0
57.03442	46.9
57.07068	3.4
67.05183	2.7
67.05508	37.1
67.76220	1.6
69.03426	4.5
69.07076	11.6
69.19602	16.0
71.04989	8.8
71.08611	1.9
75.28938	1.5
79.05493	33.0
81.03421	66.4
81.07059	48.9
81.58278	1.8
83.04977	14.8
83.08623	32.7
85.02908	71.5
85.06533	3.9
89.22386	1.6
91.05489	40.4
93.07047	26.1
95.04971	33.9
95.08613	15.5
97.02888	3.6
97.06532	6.0
97.10159	5.5
99.05352	1.6
99.08039	2.7
105.07034	33.2
107.04959	8.4
107.08575	9.4
109.06518	6.7
109.10136	6.4
111.04479	2.7
111.08083	14.8
113.06005	5.1
117.07091	1.7
119.08588	26.6
121.06602	2.4
121.10143	15.4
123.08073	6.0
123.11693	7.2
127.07572	1.8
129.07025	9.0
131.08585	12.3
133.06432	3.3
133.10130	11.5
137.09596	3.7
142.07782	4.9
145.10112	2.5
147.08078	3.7
147.11688	26.6
149.09592	8.2
157.10170	18.6
165.12769	6.4
175.11203	22.9
179.30875	1.7
193.12260	86.2
211.13307	68.3
211.14944	1.1
242.05734	12.0
257.04514	2.0
267.15976	3.1
270.05280	4.7
284.32910	2.3
285.04337	3.0
285.07596	34.0
285.16980	100.0
285.22159	4.1
285.29877	3.6
285.33542	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	285.0759
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.56730	0.1
55.01867	0.3
55.05503	0.2
57.02284	0.1
57.03421	0.1
63.16600	0.1
65.03938	0.2
67.05492	0.5
68.99774	0.5
69.07052	0.4
69.57833	0.1
69.90797	0.6
70.51450	0.1
73.48234	0.1
77.03925	0.1
77.46029	0.1
79.01879	0.2
79.05486	0.6
81.03402	0.4
81.07066	0.8
82.00569	0.6
83.04965	0.2
83.08603	0.2
89.03885	0.1
91.05515	0.6
93.03407	0.4
93.07024	0.3
95.04963	0.3
95.08619	0.3
96.02087	0.2
97.02883	0.2
97.06537	0.6
103.05453	0.2
105.07052	0.7
107.01312	0.3
107.04952	0.8
107.08599	0.1
111.04450	0.2
115.05476	0.2
116.06261	0.1
118.04171	0.6
119.04932	0.3
119.08567	0.4
121.02862	0.3
121.06480	0.5
123.04443	1.2
124.01546	0.1
125.02353	0.5
128.06319	0.1
129.06966	0.3
131.04924	0.2
131.08554	0.2
132.05661	0.2
133.06512	0.7
133.10101	0.3
134.03667	0.3
135.04442	0.2
137.01373	0.2
137.02351	3.0
139.00114	0.1
139.05455	0.1
140.06241	0.2
141.06985	0.4
144.05713	0.3
145.06482	0.5
145.10165	0.2
147.04390	0.2
147.11682	0.4
148.05206	0.3
149.02348	0.4
149.05954	0.3
151.03894	0.4
152.01041	1.9
152.06216	0.3
153.01846	1.3
153.07022	0.4
155.04961	0.2
155.08539	0.2
157.06497	0.1
157.10126	0.3
158.07204	0.3
159.07986	0.2
161.05922	0.2
163.03902	0.1
165.07002	0.2
165.12776	0.2
168.00539	0.1
168.05705	1.8
169.06525	0.3
170.02118	6.4
170.07198	0.1
172.05188	0.6
173.05927	0.2
173.09760	0.1
175.03918	0.4
175.11214	0.2
179.03348	0.3
180.05711	0.2
181.06505	0.3
182.07231	0.2
183.06520	0.2
183.08073	3.7
185.05983	0.2
186.06717	0.6
187.07631	0.3
193.12187	0.3
196.05180	1.4
197.05988	1.1
198.06743	0.2
199.07469	0.2
200.04657	0.3
208.05199	0.1
210.06868	0.2
211.07542	3.4
213.05467	3.2
214.06265	1.4
215.07080	0.7
221.06113	0.2
224.04721	0.5
225.05487	2.6
226.06218	0.3
227.03532	0.1
229.08604	8.8
239.07069	1.3
241.04968	1.2
241.08629	0.2
242.05754	4.3
252.04160	0.5
253.04970	2.5
253.08476	0.6
257.04495	0.9
257.08157	0.6
267.06534	0.8
267.15973	0.4
269.04465	3.5
270.05246	5.5
285.04095	4.6
285.07565	100.0
286.04681	0.9
286.07938	0.6
307.35922	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	285.0758
Annotation	Biochanin A
Peak:m/z	Relative Intensity
55.25426	0.2
65.19006	0.2
67.01859	0.2
68.99782	0.6
69.53948	0.2
70.04836	0.3
70.05218	0.3
78.40676	0.2
79.05474	0.5
90.04747	0.3
97.02850	0.2
103.05463	0.3
105.07034	0.5
107.04939	0.7
107.81786	0.2
111.00787	0.3
118.04174	2.1
121.02876	0.7
121.06525	0.2
123.04424	3.0
124.01580	2.1
131.04854	0.2
133.06552	1.0
139.03888	0.3
149.02377	3.4
152.01053	6.6
153.01836	2.8
158.03624	1.9
163.03850	0.4
168.05743	0.4
169.06499	0.2
170.02110	2.8
179.03360	0.8
183.08142	0.2
185.06003	0.4
186.06717	0.4
197.05977	1.4
201.05469	0.5
213.05481	4.6
214.06239	1.0
218.16315	0.2
225.05473	0.5
229.08626	5.1
230.92570	0.2
241.04968	1.8
242.05757	7.1
252.04221	0.8
253.04985	4.9
255.06569	0.2
257.08176	0.3
264.64252	0.2
269.04453	4.6
270.05225	8.2
271.05890	0.2
285.07581	100.0
286.07910	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	285.076
Annotation	Glycitein
Peak:m/z	Relative Intensity
68.99826	0.1
69.89054	0.3
69.89447	0.3
91.05450	0.2
96.02129	0.2
98.20795	0.1
107.04929	0.3
111.04456	0.4
118.04173	0.9
119.04946	0.2
121.02901	0.2
124.01598	0.3
125.02346	0.3
133.02864	0.2
134.03647	1.8
137.02362	2.8
139.03920	0.5
141.06969	1.2
145.02888	0.8
152.01089	0.7
155.04984	0.2
157.06523	0.3
158.07275	0.3
167.03426	0.6
168.05711	1.3
169.06509	2.3
181.06407	0.2
183.04459	0.2
185.06010	0.5
186.06758	0.7
196.05225	1.1
197.06010	3.9
200.04530	0.2
201.09116	0.2
213.05502	2.5
214.06281	2.5
224.04764	0.4
225.05484	6.9
226.06279	0.2
229.05051	0.2
229.08630	3.5
241.05016	0.6
242.05769	7.5
252.04268	0.2
253.04984	5.0
254.05713	0.4
257.08167	0.6
267.06448	0.3
269.04483	1.1
270.05255	23.2
271.05823	0.2
285.07593	100.0
286.07996	0.8
303.77997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.93026	0.1
52.92951	0.1
55.01871	0.2
55.26776	0.1
56.05024	0.1
56.96570	0.5
57.03436	0.4
58.96932	0.1
67.05534	0.1
69.03441	0.5
69.41685	0.6
70.06597	0.4
71.29716	0.1
73.02945	0.2
81.03422	0.2
81.07104	0.1
82.06600	0.3
82.99844	0.2
84.08138	0.5
85.02921	0.7
87.04458	0.3
97.02901	0.5
98.97582	1.2
100.07633	0.6
101.00880	1.2
108.08152	0.1
109.05146	0.5
110.03533	2.0
115.03967	0.2
116.98643	0.5
119.01918	1.4
127.03907	0.2
128.04587	0.7
131.01903	0.2
132.11143	0.1
132.23882	0.1
133.04984	0.2
134.04594	0.2
135.03020	6.1
136.06203	0.2
137.02921	0.2
138.12776	0.4
140.98830	0.2
143.60330	0.1
148.02753	0.1
150.07719	0.2
152.05681	100.0
153.04091	4.4
153.05310	0.2
154.02469	0.2
155.00102	0.1
155.02061	0.1
156.13861	0.3
158.99913	0.5
173.13017	0.1
177.00974	1.5
181.01724	0.1
182.99945	0.2
201.00912	0.7
201.02519	0.3
212.07730	0.3
217.04073	0.4
219.01997	2.8
220.56029	0.1
225.01012	0.4
228.07263	0.1
243.01915	1.5
261.03052	16.9
262.03311	0.2
266.11996	0.2
279.00574	0.6
283.70786	0.1
284.04779	0.6
284.10214	0.3
284.13385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
56.05034	1.6
67.05515	0.8
67.68183	0.5
69.03432	0.7
69.07044	0.5
70.06596	2.2
70.80713	0.8
70.81049	1.1
72.08137	1.0
75.39329	0.6
79.05467	0.6
81.03417	0.8
83.05002	0.6
83.06109	2.8
84.04517	43.4
84.08147	0.9
85.02912	1.9
89.06068	0.7
91.05473	0.6
93.07052	1.4
94.06529	0.5
94.81743	0.5
95.07352	1.0
95.08558	0.5
97.02932	1.1
98.97626	0.5
101.07159	4.6
102.05569	1.9
105.01828	0.5
105.07027	1.5
110.06070	0.7
110.07143	0.6
110.09685	0.9
112.07600	0.7
121.02908	1.0
121.34662	0.5
122.03209	0.7
122.06028	0.8
123.06816	2.2
126.09173	9.4
127.03970	0.8
129.05714	0.4
129.06624	9.5
130.05022	66.6
136.07642	0.6
138.09160	100.0
140.07062	1.4
145.04955	0.8
147.07671	54.1
152.05730	0.9
152.07007	0.5
155.11772	2.3
186.22380	0.5
206.08266	0.6
207.02924	1.6
220.09457	0.5
221.12894	6.3
238.15565	0.6
239.14920	0.9
244.67712	0.5
253.08537	0.8
259.63654	0.6
266.10455	0.8
266.14969	0.7
267.13434	0.6
284.06302	0.9
284.16098	22.8
284.29471	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	285.0759
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
51.73618	0.1
52.79530	0.1
54.07195	0.1
56.45792	0.1
68.99792	0.2
69.99270	0.5
69.99657	0.3
78.04704	0.1
89.03935	0.5
108.02110	0.2
115.05509	0.2
118.26598	0.2
123.04464	0.2
129.07048	0.3
134.03639	6.4
136.01576	0.3
137.02345	12.9
141.06981	2.1
149.06006	0.2
153.06961	0.2
154.02618	0.3
155.04961	0.5
158.07274	0.6
168.05727	0.4
169.06496	1.7
175.03868	0.2
181.06450	0.7
183.04411	0.9
185.05954	0.9
186.06776	1.9
196.05229	0.6
197.05977	4.2
200.04463	0.1
209.06090	0.1
213.05472	9.1
214.06267	6.9
214.08363	0.2
224.04706	0.3
225.05481	13.8
228.04210	0.2
229.08636	2.5
241.04947	0.6
242.05754	1.7
252.04160	0.2
253.04973	13.8
257.08115	0.5
269.04446	5.2
270.05243	27.0
271.05597	0.2
285.07581	100.0
286.07889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2059
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03934	6.1
55.01884	1.9
55.05516	15.1
57.03436	2.2
57.07060	3.6
60.25309	1.9
67.05507	25.9
69.03423	10.7
69.07067	12.8
69.31058	1.6
71.04998	19.2
71.49716	1.7
73.47206	1.7
79.05081	1.8
79.05503	22.1
81.07060	45.2
83.04995	3.1
83.08615	3.8
85.06572	2.1
88.72010	2.0
89.06084	2.4
91.05487	25.4
93.07047	40.5
95.04986	18.4
95.08614	22.7
97.06533	6.7
98.20789	4.1
103.05458	2.4
105.07039	64.7
107.04967	2.2
107.07040	2.1
107.08604	39.1
109.06519	11.9
109.09582	2.1
109.10173	22.1
111.08118	2.8
115.05466	4.0
117.07024	15.5
119.04972	2.1
119.08586	48.1
121.06505	12.4
121.10154	93.1
123.08065	7.3
123.11745	9.5
125.09617	2.9
128.06215	6.2
129.07019	8.6
130.07799	7.9
131.08572	34.2
133.07582	2.3
133.10135	43.8
135.08092	14.4
135.11670	11.2
137.09686	2.1
141.01964	1.7
142.07780	7.0
143.08566	27.5
144.09334	6.7
145.10135	60.6
147.08035	4.2
147.11707	11.8
149.09622	3.7
149.13278	3.0
155.08557	4.7
156.09360	6.2
157.10146	20.0
158.10922	10.8
159.08147	4.2
159.11678	16.9
161.09630	31.5
161.13263	5.2
163.11189	9.5
167.08580	2.9
168.09352	2.3
169.10124	5.7
170.10941	2.2
171.11690	18.9
173.09697	3.5
173.13283	68.6
175.11211	7.9
175.14813	6.1
179.08621	6.6
180.09363	3.5
181.10123	5.6
183.11671	9.6
185.13284	10.8
187.14841	8.0
189.12744	3.6
193.10135	2.1
194.10954	5.1
195.11707	7.6
197.13217	7.1
199.11162	3.4
199.14790	10.7
201.12762	2.0
201.16344	4.7
201.66719	1.8
208.12537	3.3
209.13313	12.9
211.14815	3.2
213.12808	5.2
213.16418	4.3
215.14293	2.2
223.14882	7.0
225.16367	5.5
227.14244	9.6
237.16212	2.8
239.18053	2.1
241.15923	3.1
250.17091	2.3
255.21051	10.0
265.19543	23.8
283.05960	2.1
283.09573	1.8
283.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03936	5.6
55.01862	2.0
55.05514	14.1
57.03418	4.6
61.37101	1.7
67.05508	23.0
69.03432	9.4
69.07072	13.6
71.04996	23.7
79.05498	26.7
81.03329	2.1
81.07064	49.2
83.04977	5.1
83.08613	5.9
85.06538	2.1
89.06013	6.5
91.05489	28.3
93.07050	37.8
95.04977	13.9
95.08619	22.1
97.06535	5.7
97.10171	2.6
98.20814	5.7
103.05461	4.1
105.07040	64.5
107.08596	39.0
109.06545	11.8
109.10152	20.6
111.08060	3.3
115.05437	3.0
117.07037	10.8
119.06094	1.8
119.08584	47.0
121.06501	7.8
121.10149	100.0
123.08063	7.5
123.11707	5.7
128.06178	5.5
129.06990	7.8
130.07799	9.4
131.08582	33.2
133.07594	2.8
133.10136	34.9
135.08055	11.1
135.11703	15.7
137.09625	4.1
142.07790	5.9
143.08580	20.9
144.09320	3.5
145.10135	51.2
146.07227	2.4
147.07977	2.5
147.11703	10.7
149.09602	3.4
149.13202	2.4
155.08611	4.2
156.09315	3.9
157.10136	13.9
158.10875	5.9
159.08066	4.2
159.11746	14.2
161.09630	29.5
161.13254	4.0
163.11169	8.5
167.08528	3.5
169.10162	3.5
171.11702	9.7
173.09624	3.5
173.13277	65.3
175.11185	4.5
175.14772	6.8
179.08537	4.4
181.10130	3.2
183.11713	5.5
185.09589	2.7
185.13243	7.8
187.11137	3.3
187.14868	11.7
189.12741	3.8
191.14345	4.7
194.10898	3.7
195.11736	5.2
196.12392	2.1
197.13289	2.9
199.14807	8.8
201.16393	2.8
203.14328	3.2
209.13293	10.9
213.16341	3.1
221.72055	2.1
223.14818	5.5
225.16403	2.9
227.14418	4.4
235.14963	2.0
239.17790	2.2
255.21072	3.4
265.19507	15.7
283.06198	3.1
283.09595	3.3
283.15497	4.5
283.20563	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	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.2
55.01880	9.2
57.03453	9.2
61.02909	7.1
61.77647	1.5
66.37283	1.6
68.99797	3.5
69.03435	44.0
69.20010	9.4
69.20433	6.3
71.04984	7.7
73.02927	13.1
81.02988	2.7
81.03425	33.3
84.25858	1.6
85.02912	96.6
87.00838	46.4
91.03950	3.2
97.02901	58.8
99.04468	19.3
103.58666	2.1
105.01875	67.2
108.04486	9.5
109.02893	35.3
115.03940	2.1
117.01862	3.9
126.05518	5.2
127.03930	100.0
129.01820	5.3
145.04973	87.1
147.02893	4.0
159.02916	27.2
177.04054	2.4
213.03894	3.8
230.06758	3.6
231.05025	33.7
248.07561	9.4
249.06149	12.8
284.09747	8.2
285.07587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03943	3.0
55.01878	24.0
55.05516	44.8
55.60051	2.4
56.57356	2.5
57.03440	34.5
57.07074	6.6
59.05001	9.3
67.05512	40.9
69.03436	2.9
69.07071	18.3
71.04982	11.0
71.52296	3.1
71.52694	5.2
79.05498	49.9
81.03407	21.4
81.07062	47.1
83.01356	24.5
83.04983	34.8
83.08623	25.9
83.98766	2.7
85.02896	7.1
85.06542	4.1
89.06030	7.2
91.05492	33.4
93.07053	58.3
95.04965	16.8
95.08612	24.7
97.02892	6.5
97.06545	20.2
97.10188	4.6
99.04475	5.5
100.84484	2.7
105.07032	29.0
107.04960	28.0
107.08602	31.8
109.06512	15.0
109.10162	9.0
111.04447	12.7
111.08074	7.8
117.07023	16.9
119.08607	18.2
121.02877	2.6
121.06528	7.2
121.10152	21.2
123.08103	18.3
123.11697	3.3
125.05959	3.1
125.09648	3.4
129.06990	4.0
130.07689	2.8
130.82825	2.3
131.08539	7.9
133.10156	7.7
135.08076	7.8
135.11694	29.1
137.09641	5.3
141.06949	3.1
141.69724	2.7
143.08562	3.2
145.06500	2.8
145.10143	41.4
147.08081	7.5
147.11725	4.6
149.09624	4.4
151.11246	3.3
153.12749	12.8
155.08531	5.2
157.10139	3.6
163.11189	56.6
165.01869	2.9
170.21257	2.4
173.09645	14.6
179.07047	2.4
181.12280	11.7
187.07596	4.8
188.52985	2.5
190.13837	3.0
191.10704	12.4
195.13843	3.6
209.11746	25.8
211.07600	3.9
214.40474	3.2
225.05370	3.0
227.12767	14.8
241.14331	4.4
252.07784	5.8
267.06693	12.4
268.07309	10.1
283.06076	30.4
283.09656	47.4
283.15457	100.0
283.20425	6.8
283.24335	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.55263	1.0
53.03938	4.6
55.01877	21.5
55.05516	40.7
57.03443	40.3
57.07067	2.3
59.04982	5.0
67.05182	1.7
67.05508	24.7
69.03419	2.7
69.07069	7.0
69.28577	8.9
71.01353	1.7
71.05000	8.5
77.77467	1.3
79.05502	40.3
81.03427	21.4
81.07065	34.4
83.01342	21.1
83.04989	29.6
83.08624	25.9
84.98176	1.3
85.02916	6.6
85.06543	2.5
85.65137	1.1
87.04457	1.2
89.06030	4.3
91.05486	23.5
93.07052	51.3
95.04972	15.2
95.08626	14.2
97.02908	2.9
97.06530	6.8
97.10179	2.6
99.04445	5.0
103.05473	1.6
105.07034	17.3
107.04949	14.5
107.08598	22.5
109.06529	13.2
109.10133	5.0
111.04443	6.4
111.08061	4.3
115.05441	1.8
117.07027	15.2
119.08585	18.1
119.50644	1.4
121.06527	8.1
121.10151	17.6
123.04425	1.8
123.07219	1.4
123.08086	15.7
125.05984	3.6
125.09610	4.2
129.05559	1.5
129.06973	2.4
130.07759	1.8
131.04909	1.5
131.08597	5.8
133.08566	2.0
133.10135	3.7
135.08026	4.1
135.11700	28.9
137.09647	2.5
145.06459	1.8
145.10144	37.2
147.08028	3.3
149.06013	1.5
149.09648	2.0
153.12708	7.2
155.08582	3.5
163.11195	66.2
173.09595	9.2
176.43005	1.1
181.12250	12.9
191.10666	6.7
203.68860	1.2
209.11757	22.3
227.12798	12.6
283.15402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03959	8.0
55.01881	32.2
55.05517	48.2
55.16584	4.8
57.03443	44.1
57.07060	7.3
59.04991	8.7
63.77697	3.9
67.05513	28.1
67.44810	3.7
69.03456	4.9
69.07063	15.1
71.04999	6.5
71.08619	4.1
72.04524	5.4
79.05514	43.0
79.86100	4.6
81.03407	25.1
81.07066	35.6
83.01363	23.7
83.04996	24.3
83.08625	30.1
85.02927	4.5
86.30442	4.0
89.06030	16.8
90.59984	3.7
91.05495	24.0
93.07056	56.4
95.04972	14.7
95.08617	20.7
97.06525	6.0
97.10194	6.0
98.21538	11.4
98.64236	3.5
99.04498	5.6
105.07021	23.2
107.04949	14.7
107.08601	22.7
109.06526	12.9
109.10136	5.3
111.04431	6.2
111.08061	8.3
117.07022	18.0
119.08579	15.7
121.06524	7.3
121.10156	18.1
123.08089	21.1
128.75441	4.2
131.08578	9.3
133.08662	7.6
133.10130	7.4
135.11684	31.8
145.10149	42.8
148.68083	4.0
150.60599	4.1
153.12767	7.9
154.98225	3.5
163.11205	64.6
173.09622	7.3
177.35983	3.8
181.12265	8.8
191.10698	8.1
204.50049	4.5
209.11772	24.7
214.93704	4.2
227.12749	12.0
241.14336	3.9
283.15460	100.0
283.22531	5.8
283.28284	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05018	0.4
60.04515	0.8
63.43456	0.4
67.05504	0.5
69.03427	1.2
69.07063	0.7
69.91058	1.2
70.06592	0.8
73.06559	0.9
79.05488	0.6
81.03423	1.1
81.07077	0.9
84.08161	0.5
85.02920	0.6
87.04471	2.4
88.04007	2.4
89.06039	100.0
91.05508	0.5
91.07642	0.4
93.07063	1.0
95.04968	1.1
95.08575	0.3
97.02924	1.1
99.04484	0.4
102.05556	4.3
103.05886	1.9
105.07039	0.8
107.04974	3.5
107.07058	1.9
107.08616	0.7
108.05296	3.3
109.02897	0.8
109.06537	0.7
111.04500	0.3
119.08591	0.6
121.02877	13.0
121.06536	0.8
121.10172	0.4
131.08624	0.5
133.08614	41.3
138.09109	0.4
139.03917	1.1
144.90976	0.3
145.10159	0.5
148.06056	2.3
149.06424	1.8
149.09621	0.4
151.09712	1.1
152.26921	0.4
163.03900	0.5
177.11230	9.9
195.12466	1.7
213.11984	0.3
237.09467	0.4
239.14905	2.4
265.11334	0.4
283.05847	0.8
283.17615	6.7
283.20493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.5
69.85284	0.9
69.85698	0.9
72.08140	0.3
73.06557	1.2
79.05495	0.4
80.22540	0.4
81.07087	0.4
87.04481	2.0
88.03996	1.3
89.06037	100.0
91.07586	0.4
93.07018	0.4
97.02893	0.4
102.05524	1.8
103.05907	0.7
107.04983	1.6
107.07089	0.9
108.05305	1.1
109.02888	0.5
120.08161	0.4
121.02876	3.4
128.34998	0.3
130.49002	0.3
131.07027	0.4
133.08609	40.1
134.13382	0.3
139.06000	0.3
148.06090	1.1
149.06400	0.6
151.07660	0.4
151.09732	1.1
177.11234	9.8
194.77348	0.4
195.12292	1.6
239.14807	2.0
243.62378	0.3
283.09509	0.4
283.17523	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	283.0603
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
53.03945	0.2
55.05512	0.3
57.03422	0.3
57.07061	0.2
67.05498	0.6
69.03435	0.2
69.07057	0.5
70.43678	0.5
77.26071	0.1
79.05486	0.4
81.03413	0.3
81.07081	1.1
83.01330	0.2
83.04964	0.4
83.08590	0.4
85.06519	0.3
91.05470	0.4
93.07040	0.6
95.04918	0.2
95.08605	0.5
97.06555	0.3
105.07029	0.5
107.08572	0.6
109.10137	0.4
117.07006	0.2
118.04183	0.3
119.08578	0.5
121.02862	1.6
121.10165	0.3
121.91827	0.2
133.10129	0.2
137.09605	0.2
145.10077	0.5
151.03906	0.4
153.12692	0.3
163.11250	0.4
167.08701	0.2
184.05128	0.9
212.02930	0.2
212.04645	1.0
213.05368	0.2
227.07063	0.4
239.03311	1.1
240.04187	26.9
241.04509	0.2
255.06549	0.4
265.18021	0.2
268.03683	6.9
268.06668	0.3
269.61081	0.2
283.06021	100.0
284.06369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03930	5.6
53.04145	1.3
55.01642	1.8
55.01877	24.9
55.05516	44.0
57.03442	42.7
57.07059	4.1
59.05013	6.8
65.03941	1.5
67.05183	1.9
67.05511	26.8
69.03426	3.3
69.07079	9.4
71.01344	1.8
71.04999	6.5
73.06509	1.6
78.72167	1.3
79.05499	42.7
81.02991	1.9
81.03425	22.5
81.07064	42.0
83.01347	25.5
83.04987	30.3
83.08154	1.9
83.08624	28.1
85.02893	6.5
85.06550	2.0
91.05492	27.7
93.07051	58.8
95.04988	13.7
95.08614	17.2
97.02876	4.7
97.06535	11.2
97.10144	2.5
98.20786	2.7
98.98483	2.0
99.04446	6.2
100.03264	1.2
103.05468	3.2
105.07030	20.2
107.04966	13.8
107.08604	26.3
109.06520	17.3
109.10154	5.0
111.04465	6.3
111.08105	3.7
115.05463	1.7
115.61758	1.3
117.07025	15.2
119.07804	2.2
119.08582	20.2
121.02869	1.4
121.06482	9.8
121.09470	1.7
121.10170	18.9
123.08081	18.6
125.05971	6.1
125.09629	2.6
125.90896	1.5
129.07005	4.4
130.07799	4.5
131.08560	6.9
133.10115	5.5
135.08058	4.2
135.11703	29.2
137.09631	4.0
140.43980	1.4
143.08549	3.5
145.06456	2.7
145.09065	2.5
145.10139	33.2
147.08063	4.3
149.06056	2.4
149.09653	2.6
153.12767	9.8
155.08528	2.2
159.11702	2.4
163.11195	60.1
164.65045	1.4
173.09595	9.8
178.39513	1.2
181.12227	12.1
181.45169	1.4
185.13298	1.6
191.10655	9.7
192.77040	1.4
200.03828	1.3
209.11757	24.6
227.12717	11.8
241.14462	2.1
268.03769	1.3
268.07230	1.6
283.06396	8.1
283.09692	4.8
283.15408	100.0
283.24097	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.24044	1.0
50.98923	1.0
53.03952	8.9
55.01877	5.8
55.05518	34.3
57.03443	27.3
57.07067	4.9
59.04990	1.6
60.75620	1.0
65.03934	5.0
65.81235	1.2
67.05512	84.5
69.03436	2.3
69.07076	17.2
71.05004	2.5
71.16665	1.9
71.16996	1.2
73.06561	3.8
77.03905	1.6
79.05502	100.0
81.03425	16.2
81.07066	67.7
83.04990	35.7
83.08645	9.3
85.06555	3.0
91.05490	67.1
93.07055	82.9
95.04980	28.6
95.08616	45.6
97.02886	2.7
97.06546	7.2
97.10170	4.4
99.08113	1.2
101.06017	1.3
102.94985	1.2
103.05482	2.6
105.04511	4.1
105.07046	56.6
107.04964	7.7
107.07879	1.6
107.08601	25.3
109.06535	8.2
109.10176	9.6
111.08099	2.2
115.05473	1.4
117.07023	11.1
119.08598	33.9
121.06513	4.1
121.10156	8.2
123.08068	9.9
123.11683	2.0
125.09648	1.3
127.07594	2.0
128.06244	2.5
129.07013	19.1
130.07735	1.3
131.08592	4.2
133.06462	1.2
133.10159	15.1
135.08041	2.3
135.11678	3.8
137.09541	1.5
141.09068	1.4
142.07747	1.1
142.76163	1.3
143.08589	12.7
145.10123	12.7
147.08087	4.2
147.11707	49.7
149.02307	1.4
150.02644	1.7
151.02823	2.1
156.09308	1.8
159.11792	1.5
161.09645	7.7
161.13277	19.3
163.11232	2.1
165.09105	1.4
169.10149	2.0
171.10271	2.3
171.11702	34.6
177.12805	1.3
179.14381	1.3
185.13342	1.1
189.12747	14.2
207.13809	21.8
209.09567	1.3
225.09192	1.6
225.12875	1.2
253.08632	3.9
263.16599	1.3
281.04959	1.1
281.08298	7.6
281.11539	2.7
281.17514	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0974
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
53.03947	0.7
55.01884	0.5
59.05004	0.6
60.04535	10.5
69.49514	3.1
70.02959	5.8
79.05487	0.9
86.09706	0.5
88.03998	59.3
93.07231	0.4
102.05550	98.8
107.04963	100.0
113.02374	0.8
117.03352	0.5
121.02879	0.7
121.65099	0.4
126.09830	0.4
130.05035	2.5
135.54123	0.4
141.37823	0.4
145.02852	0.6
148.06056	70.7
162.05544	0.8
175.76747	0.5
177.05487	0.6
222.07687	3.4
236.09222	6.8
250.07013	2.5
264.08710	2.5
282.09705	3.2
282.12909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
53.07224	0.8
55.01862	2.9
55.05503	1.8
56.05025	1.1
56.96563	4.3
57.03434	8.5
57.07076	1.6
61.02929	9.5
63.82775	0.9
67.05507	2.1
69.03088	1.7
69.03431	21.6
69.07075	1.2
70.06588	3.6
71.01324	1.1
71.04975	3.5
71.50520	1.2
72.04506	0.8
72.08139	3.0
73.02923	5.1
79.05508	1.2
81.03420	7.9
81.07035	1.7
82.06580	1.7
83.01357	1.2
84.08146	7.7
85.02907	82.6
85.06547	19.2
85.07027	0.7
87.04470	4.3
88.07620	1.6
91.03964	5.8
91.05480	2.1
93.07041	1.9
93.85984	0.9
97.02894	27.1
97.06519	1.0
97.84369	0.8
98.06012	1.7
98.97594	8.8
99.04458	4.4
100.07604	4.1
101.08073	0.9
103.03943	1.4
103.07558	1.4
103.71397	1.0
105.07050	1.2
109.02889	7.8
110.97584	1.0
112.04356	1.8
112.05092	20.6
112.07605	4.7
115.03960	2.0
116.98614	3.1
119.04929	2.1
120.08081	3.1
120.86327	0.8
121.02875	2.0
121.06559	1.3
121.08458	3.4
123.04503	1.4
127.03917	24.5
130.08633	2.5
134.09633	2.0
134.99660	1.4
136.06204	5.5
137.05963	4.1
140.07034	1.2
145.04959	44.0
146.08122	1.9
147.04414	4.2
147.08392	1.7
149.06122	0.9
150.07756	100.0
152.06964	1.2
153.05597	0.9
153.06934	1.6
154.94150	0.9
156.03400	2.2
158.06673	2.1
158.99675	2.3
159.06783	1.3
161.01274	1.0
161.02908	1.4
163.06021	11.4
164.07082	1.4
171.02953	1.2
174.04395	1.3
177.00700	3.5
177.07846	3.6
180.08588	1.1
186.04463	1.5
189.00696	0.9
193.03270	1.8
193.50682	1.0
195.11343	1.8
200.04393	1.1
201.00818	1.0
201.04253	0.9
203.05527	2.1
204.05531	1.7
206.11755	16.9
208.05011	1.4
217.05461	2.3
219.01683	1.8
226.11031	1.7
229.10712	8.7
237.02844	0.9
238.06247	0.9
239.07117	1.8
252.12636	6.7
264.06302	1.0
264.12653	4.1
267.06372	1.5
269.05511	1.3
270.13626	2.8
281.98172	1.4
282.05511	1.1
282.08752	3.8
282.11966	5.7
282.13696	1.8
282.19266	1.5
282.22131	3.2
300.01538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.05510	1.8
57.07052	1.9
67.05511	2.7
69.03449	3.4
69.07068	3.2
70.00694	5.9
70.06591	4.7
79.05511	1.6
81.03426	2.6
81.07066	5.1
83.08616	2.5
84.08132	2.1
85.02904	1.7
85.06551	1.6
85.15889	1.3
87.04456	3.2
88.36540	1.2
89.03906	1.7
89.06031	4.4
91.05476	4.7
93.07055	2.2
95.04974	4.6
95.08587	2.5
97.02912	4.4
97.06525	2.6
103.05470	24.9
107.04961	4.0
109.02888	1.9
111.04486	1.9
119.04921	2.8
120.08147	2.1
121.02879	29.1
121.06537	3.9
121.10186	1.6
123.04432	2.5
125.06017	2.0
131.04935	34.0
134.09560	1.4
135.04388	10.0
136.06216	11.6
136.07156	1.8
137.06499	6.4
139.03891	1.4
140.07086	2.0
142.24173	1.4
144.08035	1.9
147.04416	9.0
149.05995	25.5
152.07152	1.8
157.10184	1.5
159.92647	1.4
163.03918	73.6
165.05528	1.4
167.03412	10.6
175.03932	18.2
177.05486	40.7
179.03416	4.2
191.03413	100.0
191.29636	1.5
193.04982	16.9
195.02907	2.3
203.03386	1.8
205.01353	11.1
207.12050	4.2
221.02487	2.5
221.04480	22.7
223.02399	6.0
237.03949	39.5
247.02394	3.1
251.01828	4.6
251.13350	4.4
252.07922	2.4
259.70798	1.5
265.03485	37.7
265.11670	1.8
268.07114	1.9
283.04517	6.8
283.09592	2.4
283.12830	2.9
283.16086	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	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05520	0.5
57.07080	8.5
59.53320	0.4
60.79215	0.5
65.03937	0.7
67.05516	0.6
69.03436	0.7
69.07074	0.8
71.05016	0.6
71.50964	1.0
79.05479	1.6
81.03415	0.5
81.07048	1.1
84.08150	0.5
85.02905	0.9
86.09711	100.0
89.06012	0.8
91.05488	1.5
93.07060	1.5
97.02907	2.1
98.97584	1.0
99.04457	0.9
103.05489	3.3
105.03404	0.8
105.07026	1.3
107.08585	0.7
109.10192	0.5
119.04939	0.6
119.08621	0.5
120.08115	52.5
121.02881	2.0
121.03905	0.5
121.06491	0.7
121.08463	0.5
121.10189	0.5
131.08620	0.6
132.10220	1.1
133.10167	0.7
135.04463	0.6
135.11765	0.6
147.04402	3.3
149.02356	69.3
163.03963	0.6
166.08649	10.0
167.03395	1.8
167.64188	0.5
172.54218	0.5
175.03905	1.7
191.03392	1.0
205.08612	0.8
223.09665	0.8
229.13286	1.2
233.16508	1.4
234.05399	0.6
241.49785	0.5
261.21918	0.6
279.04941	9.2
279.17102	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	280.0818
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
55.01869	0.4
57.07077	1.5
58.07399	0.4
65.03941	0.7
67.05503	0.5
69.53239	1.6
70.06583	0.7
72.08150	0.6
73.42178	0.2
79.05496	0.6
84.08134	0.9
85.02898	0.3
86.09705	0.6
87.04490	0.3
91.05486	10.8
95.04958	0.4
97.02865	0.6
98.20722	0.3
103.02218	0.3
105.03381	0.7
106.03707	0.5
119.04950	25.9
121.02826	0.6
127.03902	0.4
128.80875	0.2
129.10283	0.3
131.05002	0.3
145.06467	0.5
146.06828	0.9
146.36168	0.2
147.04417	100.0
148.04732	1.2
149.02345	7.1
149.05978	0.3
149.78510	0.2
150.02689	7.1
170.22176	0.3
174.06354	0.9
175.06310	0.5
186.06325	0.3
188.10674	0.3
198.06390	0.4
202.05856	0.4
204.10162	2.2
216.07451	0.5
220.07089	0.3
234.08356	0.7
248.12874	0.4
262.07483	0.3
262.14545	0.4
280.08920	0.6
280.11737	0.4
280.15646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.8
51.40823	0.8
53.03948	8.4
54.02686	0.8
55.01875	4.9
55.05517	31.8
56.96561	1.3
57.03442	27.4
57.07072	2.4
59.05008	1.2
65.03931	3.7
67.05510	74.7
68.98405	0.8
69.03439	1.4
69.07073	17.0
69.52035	6.3
71.04992	2.8
73.06558	2.9
79.05499	100.0
81.03423	14.7
81.07063	62.7
83.04491	1.6
83.04988	33.2
83.08623	7.8
85.02908	1.3
85.06532	4.1
91.05488	68.1
93.07052	77.2
93.97554	0.8
95.04980	26.4
95.08616	38.7
97.02896	2.5
97.06559	7.5
97.10178	5.9
98.20787	1.8
99.08076	1.5
103.05459	1.6
105.04517	3.0
105.07038	49.4
107.04963	9.2
107.08602	24.2
109.06526	8.7
109.10170	7.7
111.08038	2.0
113.09660	1.6
115.05469	1.8
117.07013	11.1
117.07784	1.4
119.08590	32.8
121.06520	4.3
121.10131	6.8
123.08088	8.6
123.47250	0.9
125.05868	0.9
127.07549	2.5
128.06223	2.5
129.07013	19.4
130.07748	1.0
131.08539	3.6
133.06506	1.8
133.10141	14.1
135.08124	0.8
135.11710	3.1
139.37637	0.8
141.06958	1.9
141.09052	1.5
143.08585	9.4
143.91704	0.9
145.10124	10.1
147.08047	3.7
147.11699	40.3
150.02649	2.2
151.02823	1.4
156.09311	1.3
157.06534	0.9
159.11722	2.4
161.09644	6.5
161.13263	17.8
169.10168	2.1
171.10280	1.8
171.11699	33.1
171.13173	1.7
179.08574	1.0
179.14319	1.1
189.12758	14.1
207.13799	18.8
209.09848	1.0
224.08475	1.0
225.09149	1.2
253.08553	2.2
263.14188	1.0
263.16595	1.1
263.19366	0.9
281.05139	1.0
281.08087	5.0
281.17484	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	277.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.28600	0.6
53.99260	0.5
56.96556	1.3
57.03427	1.0
63.80450	0.5
66.35334	0.6
66.52639	0.6
69.03432	3.5
69.54021	4.0
69.54421	1.3
69.81499	0.6
70.98113	0.6
70.99861	1.0
71.04974	1.9
81.03421	4.8
82.99834	6.8
84.08121	1.3
85.02923	3.5
86.99329	0.8
87.04470	0.6
89.00895	0.8
94.99823	1.1
97.01402	1.0
97.02873	1.7
98.97589	3.3
99.04433	2.3
100.00093	2.2
101.00888	44.1
103.00621	1.3
109.02885	5.2
113.00880	7.1
115.02451	4.1
118.01138	1.8
119.01931	38.2
121.01641	2.1
126.01580	0.7
127.02392	4.0
127.03897	0.8
131.01906	11.3
133.03479	7.9
137.02937	3.4
139.02400	5.9
141.00290	1.3
142.01105	1.1
143.01901	28.1
145.03488	8.4
147.03223	1.1
149.03006	0.9
151.04538	0.9
155.01898	8.1
156.02643	1.9
157.03474	31.1
159.01405	7.2
159.05034	1.4
160.02147	2.2
161.02969	42.1
163.04503	1.0
166.01193	1.1
167.01866	5.8
169.03470	2.9
171.01450	0.7
171.05077	3.4
173.02972	10.7
174.03633	0.6
175.00894	1.8
175.04539	18.0
176.08203	4.7
178.03122	0.7
179.04082	0.6
181.03397	1.1
183.05061	4.8
184.02222	1.5
184.04544	0.7
185.02966	18.4
187.04532	8.2
189.02477	0.7
189.06082	1.7
191.04012	1.7
197.02951	1.6
199.04526	7.2
201.00916	0.8
201.06075	2.8
203.04013	11.3
205.05562	1.9
209.02907	1.2
217.02000	3.4
217.05537	4.0
221.05043	1.7
227.04036	1.4
232.07205	1.9
235.03017	1.8
235.06540	1.5
237.02905	0.8
245.05092	6.6
249.09764	1.0
253.07721	1.1
258.99985	0.8
259.06674	4.5
277.03500	3.0
277.07672	100.0
295.08780	72.9
295.11331	1.0
295.12332	1.2
296.08945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02394	0.8
53.03945	3.6
53.39784	0.7
55.01871	1.0
55.05517	16.0
55.05775	0.7
57.07080	27.4
61.85674	0.7
63.46367	0.7
64.91269	0.8
65.03954	1.7
67.05511	30.4
69.07075	15.3
71.04992	1.9
71.52460	1.0
77.03932	1.4
79.05499	66.1
81.07062	33.8
83.04993	2.6
83.08624	6.7
85.06538	1.9
87.28854	0.8
91.05487	25.6
93.07050	100.0
95.04974	5.9
95.08615	25.7
97.06558	1.7
97.10143	3.8
99.04446	0.9
99.08114	1.5
99.20394	0.8
103.05453	0.9
105.04526	2.4
105.07034	15.2
107.08604	49.3
109.06529	2.6
109.10165	12.3
111.08089	1.1
117.07010	3.7
119.08591	11.8
120.36861	0.8
121.06519	1.1
121.10155	44.2
123.04408	1.8
123.08070	1.7
123.11720	3.2
125.09663	1.5
128.84772	0.7
129.07014	2.1
130.55882	0.8
131.08594	5.7
131.62851	0.7
133.10156	11.5
135.08130	1.8
135.11703	43.1
137.09627	1.0
139.07452	0.8
143.08646	2.1
145.10127	3.9
147.04393	0.8
147.11714	6.2
149.02438	1.5
149.13274	20.6
149.14308	0.8
151.11218	1.2
157.10156	2.3
159.11713	3.7
161.13300	4.7
163.11256	1.1
163.14827	5.6
171.11682	3.1
173.13261	2.8
174.13654	1.0
175.11333	1.4
175.14859	2.2
177.12726	2.4
179.10686	17.4
181.12222	1.2
185.13243	2.9
189.12781	1.5
195.13783	2.1
199.14870	2.1
203.14372	1.1
207.13828	2.9
217.15871	1.9
219.13858	3.3
221.15407	3.5
231.17438	1.2
235.16939	64.9
241.19444	3.3
249.74707	0.8
259.20609	4.5
262.38226	0.8
269.78168	0.8
277.18024	68.7
277.21622	85.2
277.28064	8.5
278.22202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03943	5.7
53.22497	1.3
55.05520	15.7
57.07083	1.6
67.05513	34.7
69.07080	15.1
70.03503	5.4
71.04989	2.2
77.03923	1.8
79.05502	70.3
81.07068	32.1
83.08628	6.3
91.05488	20.8
93.07053	100.0
95.04964	3.9
95.08625	19.5
97.06538	1.9
97.10169	4.9
97.11298	1.2
102.95260	1.5
105.04542	2.5
105.07058	10.1
107.08603	48.8
109.10162	13.8
117.07011	3.0
119.08598	8.6
121.10158	42.6
123.08121	1.6
123.11723	3.6
131.08615	4.6
133.10170	11.2
135.11707	60.6
143.08611	1.3
145.10146	4.8
147.11667	7.4
149.09637	2.0
149.13275	25.5
159.11742	3.4
161.13278	3.0
163.14842	4.7
171.11768	2.1
173.13318	3.4
175.14751	2.2
181.12190	1.3
185.13300	2.1
189.12695	1.4
193.12253	1.5
195.13818	3.0
199.14853	2.1
207.13802	2.8
209.33800	1.2
221.15350	3.5
231.17587	1.6
231.59628	1.3
235.16949	3.7
241.19571	2.0
259.20615	5.2
277.21655	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05516	21.5
57.07080	14.8
58.99590	10.4
61.01147	0.7
65.03945	1.1
67.05505	1.2
69.03423	0.6
70.06590	0.9
72.08154	0.9
73.01147	0.9
76.02237	4.5
76.03992	2.3
79.05501	2.6
81.03416	0.8
81.07048	1.4
83.08625	17.8
84.08144	0.8
85.02895	1.3
86.99056	9.1
88.02244	2.5
89.06017	1.5
89.18699	0.5
89.27362	0.5
91.05498	0.7
93.07028	0.7
95.08608	1.1
97.02906	1.1
99.08122	0.6
101.09644	0.9
105.07061	0.8
107.08605	1.0
109.10170	0.8
111.36848	0.5
113.39834	0.5
116.01687	36.4
119.04928	0.6
120.08095	1.2
121.02879	4.4
121.03685	0.6
121.03975	0.5
123.04443	0.5
130.06538	1.2
131.04965	0.9
133.06483	0.8
144.01152	16.5
145.06496	1.2
147.04449	2.4
147.08093	0.5
149.02354	100.0
153.02289	0.5
159.04510	0.6
159.08356	4.6
162.02216	65.3
167.03392	2.0
173.05951	0.9
175.03909	0.6
175.07480	0.6
177.05511	0.8
188.05324	1.4
189.05594	0.7
191.06912	0.5
205.06688	0.7
205.08646	1.6
219.06538	0.8
233.08188	1.0
244.09904	1.4
260.12006	0.5
261.07111	1.0
261.12329	0.8
262.05426	0.8
262.11102	22.1
262.13998	1.1
279.06262	0.9
279.08862	1.8
279.13620	3.8
279.16168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
68.61921	0.9
69.03423	2.4
70.30253	3.4
70.99867	1.2
71.05013	1.5
81.03409	4.5
82.99821	6.7
83.04977	0.9
84.08149	1.6
85.02901	3.8
97.01376	1.5
97.02900	2.0
99.04456	1.6
100.00098	1.9
101.00887	47.0
103.00638	1.9
109.02866	4.3
113.00876	7.4
115.02433	4.9
119.01929	40.2
121.01646	2.8
125.08625	0.9
127.02408	2.5
131.01903	13.0
133.03481	6.3
137.02966	4.1
139.01422	1.1
139.02385	5.5
141.00323	1.7
142.01057	1.7
143.01906	28.2
145.03464	11.8
149.02951	1.8
155.01901	11.0
156.02629	2.8
157.03482	27.4
159.01340	4.7
159.05037	1.2
160.02145	1.9
161.02969	49.5
163.02522	1.1
167.01900	5.0
169.03458	3.6
171.05014	4.1
173.02971	13.9
175.04515	15.8
181.03378	1.3
183.05006	3.3
185.02957	16.9
187.04526	6.5
188.12526	0.9
189.06052	2.1
191.04028	2.7
197.03000	2.8
199.04497	5.4
201.06123	3.7
203.04051	11.6
205.05618	2.5
217.02022	1.2
217.05649	5.1
221.05016	1.6
227.04129	1.5
235.03094	1.2
235.06607	3.1
245.05125	7.3
253.07790	1.3
259.06696	2.9
263.06177	1.4
277.03323	8.8
277.07690	100.0
295.08765	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	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	1.6
55.05515	14.4
57.03413	0.9
57.07066	0.9
57.27108	0.5
59.05009	0.6
67.05511	15.7
69.07072	10.9
71.04983	2.4
71.16726	1.0
79.05497	16.5
81.07063	19.2
83.04955	1.7
83.08619	4.9
85.06535	1.6
87.04446	0.7
88.07632	0.6
91.05488	53.3
93.07051	15.8
95.04954	2.6
95.08616	10.6
97.06520	1.5
97.10158	2.0
101.39091	0.6
103.05451	1.5
105.07040	69.7
107.04948	2.3
107.08600	10.8
109.06521	1.8
109.10175	4.7
111.08057	1.1
117.07024	10.2
118.07835	1.0
119.08592	34.6
121.06494	2.2
121.10151	5.0
123.08084	1.1
123.11731	0.6
123.42706	0.6
125.09632	1.5
129.06996	3.5
130.07741	0.8
131.07599	1.0
131.08582	17.7
132.09314	0.7
133.06567	1.0
133.10138	48.8
135.08092	1.3
135.11678	2.2
137.09645	1.2
141.06978	1.1
143.08559	2.3
145.10117	16.6
145.75705	0.6
147.08006	0.8
147.10503	1.1
147.11694	21.5
149.09624	5.6
149.13307	0.8
155.08572	1.9
157.10132	4.4
158.10938	0.6
159.11700	9.0
161.09590	1.1
161.13277	5.1
163.11179	2.2
169.10117	1.5
171.11653	4.9
173.13252	5.7
175.11212	1.7
175.14851	0.8
177.12767	1.1
179.14142	0.6
181.12366	0.8
183.11720	2.9
185.13272	1.6
187.11179	1.4
197.13213	3.3
199.14819	0.8
201.12856	0.7
219.13852	1.5
228.43909	0.8
229.15891	0.7
229.19508	1.1
233.15288	1.9
239.17984	4.4
257.19003	8.0
275.20078	100.0
275.27725	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03954	1.2
55.01874	3.9
55.05518	19.1
57.03421	1.1
57.07067	0.8
59.04998	1.4
65.03941	1.0
67.05511	27.6
69.03439	1.3
69.07076	6.1
69.80599	2.7
71.04980	2.2
76.63858	0.6
77.03925	1.1
79.05503	40.6
81.03387	0.7
81.07066	19.0
83.04969	2.3
83.08622	5.5
83.18283	0.6
85.06557	1.6
91.05489	27.3
93.06481	1.3
93.07056	21.6
95.04964	2.1
95.08624	8.7
95.50107	0.6
97.06527	2.5
97.10174	4.8
98.21481	1.3
101.75872	0.7
103.05496	1.1
105.04515	1.2
105.07044	37.0
107.04967	24.8
107.08605	27.5
109.06520	1.1
109.10169	15.7
111.08115	2.0
111.34269	0.7
115.05495	0.6
117.07038	9.3
119.08595	25.1
121.06500	1.8
121.10168	10.4
123.08125	1.1
123.11710	3.6
125.09645	5.6
129.07027	1.3
131.08582	12.1
133.06482	0.7
133.10143	25.0
135.08054	5.0
135.11723	3.5
137.09604	1.2
141.06960	1.2
143.08542	1.5
145.10141	9.9
147.08076	1.4
147.11699	15.9
149.09639	50.7
149.13264	1.2
153.09142	2.7
155.10655	1.3
157.10132	1.5
159.11716	7.7
161.09692	0.8
161.13275	5.3
163.11189	2.5
167.10678	0.7
169.10153	1.5
169.12282	2.0
171.11703	2.7
173.11742	3.0
173.13295	3.9
174.53149	0.7
177.12779	0.9
179.10735	0.8
183.11658	1.7
185.13258	0.6
187.11197	1.7
187.13292	1.6
187.14850	1.6
197.13303	2.0
201.12808	1.0
205.12225	1.0
211.14969	1.1
212.07030	0.6
213.16341	0.7
215.14420	0.8
215.17940	1.9
229.19537	7.3
233.15343	1.4
239.18082	3.1
247.20580	2.6
257.19025	17.9
275.20090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2011
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.83867	2.1
55.01875	3.9
55.05518	14.2
57.07073	7.3
59.05011	3.1
67.05515	15.2
67.05821	3.4
69.07074	9.3
71.05001	27.7
79.05508	15.4
81.07075	18.0
83.04981	9.0
83.08604	8.2
85.06557	18.1
91.05491	24.7
93.07056	26.7
95.04990	5.2
95.08629	27.7
97.06548	3.6
98.20719	4.8
105.07043	45.1
107.08600	32.6
109.06546	26.2
109.10155	16.0
111.08094	28.0
117.07022	13.8
119.08603	50.6
121.10155	42.0
123.08113	5.4
123.11688	11.5
128.06223	3.1
129.07028	10.8
130.07718	4.3
131.08586	44.5
133.10150	42.8
135.08084	37.1
135.11710	9.7
137.09631	9.3
137.10645	2.3
142.07776	11.6
143.08589	25.0
144.09370	7.5
145.10138	41.9
147.11731	13.3
149.09616	10.0
149.13275	4.8
155.08589	6.5
156.09367	6.9
157.10167	43.9
158.10936	14.3
159.11728	64.2
161.09636	7.2
161.13286	4.0
163.11140	5.8
168.09384	5.1
169.10139	11.5
171.11650	17.3
172.12392	3.6
173.13292	100.0
174.14041	10.3
175.11227	17.5
175.14844	8.8
177.12759	15.5
183.11758	17.6
184.12396	5.8
185.13231	4.9
187.11185	8.6
187.14857	12.6
189.12799	3.3
191.14304	15.7
197.13268	13.4
199.14848	25.1
201.12787	16.0
213.16383	11.3
214.17271	3.3
215.14421	3.2
215.17990	8.7
217.08112	2.6
217.15898	8.4
219.13866	6.0
224.15657	2.8
239.17996	15.7
257.19019	38.7
275.05173	3.8
275.20151	52.7
275.27795	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	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17021	8.5
70.55454	18.0
74.70136	9.3
77.75716	8.3
79.83784	10.8
94.49493	8.8
98.21474	11.4
101.00883	27.3
113.00908	14.4
119.01926	24.6
120.83311	7.6
131.01930	23.8
143.01900	26.2
155.01917	11.2
157.03476	18.5
161.02966	46.2
167.01987	12.1
173.02933	20.6
185.02980	9.6
202.15088	10.8
277.03198	100.0
277.07681	88.8
295.08725	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.3
55.01869	3.8
55.05268	1.0
55.05514	12.4
57.03426	1.0
57.07056	1.4
65.03922	1.1
67.05508	16.8
69.03420	1.5
69.07070	9.1
71.05000	1.8
71.16308	1.1
73.27823	0.6
79.05499	17.2
81.07060	20.5
83.04956	1.0
83.08632	4.1
85.06541	1.1
91.05482	29.3
93.07050	16.6
95.04990	3.2
95.08614	20.1
97.06549	4.3
97.10149	2.2
99.08105	0.9
103.05457	1.1
104.06242	0.7
105.07038	44.2
107.04933	2.8
107.08604	13.3
109.06519	3.6
109.10160	7.9
111.08096	1.6
115.05469	0.9
117.07036	6.8
119.08592	28.2
121.06483	2.1
121.10169	7.1
123.08058	2.6
123.11684	2.3
125.09614	1.8
129.06999	1.8
130.07695	0.7
131.08577	10.7
133.06482	0.7
133.10136	28.4
135.08046	2.7
135.11649	3.4
136.69743	0.6
137.09613	2.9
141.06958	1.8
142.07788	0.9
143.08534	1.7
145.10124	12.7
146.10861	0.7
147.08028	1.5
147.11693	17.5
149.09639	6.7
149.13237	2.6
151.11162	2.6
155.08588	1.6
157.10147	2.4
159.08057	0.9
159.11700	7.7
161.09668	1.6
161.13271	4.0
163.11186	4.5
163.14827	1.3
165.12701	1.6
169.10197	1.1
171.11659	1.7
173.13283	4.4
175.11205	1.8
175.14870	1.3
177.12732	1.6
179.14267	0.8
183.11673	2.0
185.13300	1.0
187.11133	1.3
187.14859	1.7
189.12778	1.6
191.14255	1.0
193.12363	1.0
197.13228	1.7
201.12773	0.8
213.16467	1.2
215.14336	1.0
215.17960	1.0
217.15857	1.3
229.19557	3.3
231.06523	0.9
233.15450	0.9
239.18019	5.7
243.06522	1.2
245.04576	0.9
247.20570	2.8
257.18979	10.8
257.63556	0.7
275.04941	2.0
275.09082	4.8
275.20074	100.0
275.27054	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.8
55.01866	2.5
55.05267	0.9
55.05516	10.8
57.07075	2.1
58.07389	0.7
58.57103	0.5
65.03962	0.6
67.05508	13.9
69.03444	0.9
69.07075	8.3
70.06589	1.9
70.24114	1.2
70.24477	1.3
71.04993	1.5
71.08615	0.7
76.50592	0.6
79.05498	13.3
81.07058	12.9
83.04970	1.9
83.08619	4.2
85.06554	0.8
88.07613	2.4
89.07983	0.7
91.05487	31.8
93.07051	13.5
95.04984	2.8
95.08614	9.3
97.06524	2.4
97.10179	2.1
98.21447	0.7
103.05494	1.1
105.07037	51.1
106.08669	1.4
107.04948	2.0
107.08598	11.8
109.06548	1.4
109.10159	4.1
111.08110	0.7
117.07028	7.1
119.08590	27.2
121.06504	2.2
121.10150	4.8
123.08085	1.3
123.11717	1.5
125.09634	1.4
128.06219	0.9
129.07004	1.8
131.08582	10.1
133.06488	0.9
133.10139	32.9
135.08051	1.7
135.11710	2.8
137.09650	1.2
141.07004	1.3
143.08577	2.5
145.10135	15.1
147.08049	0.7
147.11694	22.2
149.09639	5.2
149.13257	0.8
151.11172	0.8
155.08578	1.1
157.10162	2.1
159.11699	7.9
161.13271	4.4
163.11237	3.2
165.09210	0.6
169.10135	0.8
171.11679	3.2
173.09595	0.8
173.13289	4.6
175.11154	1.4
175.14871	0.8
177.12682	0.9
183.11716	2.0
185.13341	0.9
187.11189	1.0
197.13332	1.1
201.12746	0.8
211.14709	0.8
215.17989	1.2
219.13773	0.9
229.19583	1.5
233.15335	0.9
239.17995	4.4
247.20596	2.0
252.53151	0.6
257.19028	9.7
257.26700	1.9
275.20078	100.0
275.27759	27.0
276.20520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.21848	0.5
52.14491	0.6
53.03939	1.4
55.01858	2.0
55.05516	12.9
57.07077	1.2
59.04999	0.8
61.27661	0.5
65.03936	0.6
67.05511	14.3
69.03419	0.8
69.07068	7.3
70.06592	0.8
70.56832	1.5
71.04979	2.2
71.19070	0.5
74.83485	0.5
75.96548	0.4
77.03913	0.6
79.05501	15.2
79.05966	0.8
81.06593	0.7
81.07061	14.7
83.04986	2.0
83.08631	4.5
87.85103	0.4
88.07607	1.5
91.05487	35.5
93.06488	1.0
93.07050	14.8
95.04955	1.5
95.08607	10.3
95.72461	0.4
97.06525	1.9
97.10168	2.4
99.08136	0.6
99.66660	0.5
103.05462	1.0
105.07040	56.4
107.04960	1.9
107.08596	11.8
109.06535	1.2
109.10162	4.8
111.08096	0.9
111.99935	0.8
115.05478	0.7
117.06257	0.5
117.07030	8.0
118.07806	0.9
119.08591	29.4
121.06510	1.6
121.10140	4.4
123.08035	1.5
123.11709	0.9
125.09689	1.3
129.06995	1.7
130.07762	0.6
131.08571	11.4
132.09320	0.8
133.10141	39.4
135.08064	1.5
135.11667	2.9
137.09598	1.3
141.06972	1.1
143.08588	2.7
145.10129	16.5
147.08044	1.1
147.11696	20.8
149.09644	4.1
149.13278	1.1
155.08571	1.3
157.10143	2.0
159.11691	6.4
160.12509	0.7
161.09630	0.9
161.13286	3.9
163.11200	1.9
165.12807	0.6
166.60864	0.5
167.10754	0.6
169.10170	1.4
171.11687	3.0
173.13290	3.6
175.11209	1.2
175.14857	1.0
183.11700	2.7
185.13350	0.7
187.11208	0.8
187.14870	0.7
189.12823	0.8
191.14426	0.7
197.13307	2.4
201.12746	0.6
211.14804	1.1
215.14359	0.7
219.13762	0.7
229.19504	0.9
233.15346	0.9
239.17984	3.6
247.20674	0.9
257.19055	9.5
275.20081	100.0
275.27753	10.9
276.20276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.1
60.04523	2.4
64.36247	2.2
70.06593	8.4
71.50485	3.5
72.08154	12.9
81.07080	2.6
81.91194	2.2
84.04527	2.6
84.08152	6.8
85.02888	3.8
86.09734	12.7
95.05003	2.8
97.02848	3.0
100.07616	4.9
103.05474	6.4
107.04964	5.3
115.08695	15.0
123.04446	100.0
129.10275	4.8
131.04930	26.1
132.10187	7.8
137.06085	2.3
140.30420	2.9
143.01802	2.4
143.08177	11.8
143.11797	4.6
147.04405	8.9
149.05983	12.0
159.04459	8.7
165.05510	3.6
175.03938	12.0
177.05479	42.3
193.04999	43.9
203.03436	19.4
203.13934	5.3
211.06029	46.0
215.13974	3.7
221.04474	59.5
239.05516	49.6
253.18593	2.6
257.06616	3.8
274.06857	2.7
274.11490	2.9
274.18472	3.5
274.21259	4.8
274.27426	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	275.0915
Annotation	beta-Pyrufuran
Peak:m/z	Relative Intensity
54.58432	0.2
55.01881	0.5
55.05500	1.1
63.89407	0.2
67.05507	0.7
67.17796	0.2
69.03442	1.7
69.07066	1.0
71.05012	0.3
71.51462	0.2
75.82434	0.2
79.05484	1.0
81.07063	1.4
83.04999	0.5
83.08617	0.4
85.06544	0.5
87.00841	3.0
91.05466	0.9
93.07021	1.0
95.04970	0.3
95.08607	1.6
96.24896	0.2
97.02880	0.3
97.06528	0.9
105.07049	1.8
107.04951	0.3
107.08585	0.9
109.06509	0.3
109.10173	0.7
115.05461	0.4
117.07015	0.3
119.08577	1.6
121.02856	0.5
121.10117	1.3
123.11653	0.3
126.89256	0.2
128.06250	1.4
129.07004	0.7
131.04909	0.3
131.08572	1.0
133.10133	0.9
135.08055	0.5
135.11685	0.5
136.07573	0.3
137.09587	0.5
141.06989	4.2
142.07785	0.9
143.08521	1.5
145.06499	0.6
145.10120	0.9
147.04408	1.1
147.11678	1.0
153.06961	0.3
155.08566	1.4
157.06508	0.3
157.10136	0.5
158.07326	0.4
159.08044	0.6
159.11723	0.6
160.05261	1.3
161.06075	1.4
161.09593	0.3
161.13243	0.5
163.03912	0.7
163.14778	0.3
165.07022	0.5
168.05701	0.5
169.06500	3.6
169.07825	0.4
169.10153	0.3
170.07306	0.6
171.08063	1.7
171.11751	0.3
173.05952	1.9
173.13280	0.7
175.03952	0.8
175.14877	0.4
177.05487	0.4
179.03447	0.3
183.08109	1.2
184.08911	0.4
186.06715	0.6
187.05901	0.4
187.07549	5.7
187.14874	0.8
188.08344	2.9
189.05554	0.5
189.08990	0.4
191.03442	0.5
197.05966	1.9
198.06691	0.3
199.07521	0.6
199.14763	0.3
200.04741	0.6
201.05508	2.1
201.09120	1.1
211.07527	2.8
213.05496	2.0
214.06194	0.8
215.07057	2.8
215.17842	0.2
218.02162	0.6
229.08615	4.6
230.09395	3.0
233.04283	1.1
234.05142	0.5
239.17970	0.3
241.05045	1.9
243.06517	2.3
247.06056	0.9
257.08148	1.1
257.19012	0.5
259.06067	6.0
260.06830	0.9
275.09152	100.0
275.20126	2.3
275.23669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58432	0.2
55.01881	0.5
55.05500	1.1
63.89407	0.2
67.05507	0.7
67.17796	0.2
69.03442	1.7
69.07066	1.0
71.05012	0.3
71.51462	0.2
75.82434	0.2
79.05484	1.0
81.07063	1.4
83.04999	0.5
83.08617	0.4
85.06544	0.5
87.00841	3.0
91.05466	0.9
93.07021	1.0
95.04970	0.3
95.08607	1.6
96.24896	0.2
97.02880	0.3
97.06528	0.9
105.07049	1.8
107.04951	0.3
107.08585	0.9
109.06509	0.3
109.10173	0.7
115.05461	0.4
117.07015	0.3
119.08577	1.6
121.02856	0.5
121.10117	1.3
123.11653	0.3
126.89256	0.2
128.06250	1.4
129.07004	0.7
131.04909	0.3
131.08572	1.0
133.10133	0.9
135.08055	0.5
135.11685	0.5
136.07573	0.3
137.09587	0.5
141.06989	4.2
142.07785	0.9
143.08521	1.5
145.06499	0.6
145.10120	0.9
147.04408	1.1
147.11678	1.0
153.06961	0.3
155.08566	1.4
157.06508	0.3
157.10136	0.5
158.07326	0.4
159.08044	0.6
159.11723	0.6
160.05261	1.3
161.06075	1.4
161.09593	0.3
161.13243	0.5
163.03912	0.7
163.14778	0.3
165.07022	0.5
168.05701	0.5
169.06500	3.6
169.07825	0.4
169.10153	0.3
170.07306	0.6
171.08063	1.7
171.11751	0.3
173.05952	1.9
173.13280	0.7
175.03952	0.8
175.14877	0.4
177.05487	0.4
179.03447	0.3
183.08109	1.2
184.08911	0.4
186.06715	0.6
187.05901	0.4
187.07549	5.7
187.14874	0.8
188.08344	2.9
189.05554	0.5
189.08990	0.4
191.03442	0.5
197.05966	1.9
198.06691	0.3
199.07521	0.6
199.14763	0.3
200.04741	0.6
201.05508	2.1
201.09120	1.1
211.07527	2.8
213.05496	2.0
214.06194	0.8
215.07057	2.8
215.17842	0.2
218.02162	0.6
229.08615	4.6
230.09395	3.0
233.04283	1.1
234.05142	0.5
239.17970	0.3
241.05045	1.9
243.06517	2.3
247.06056	0.9
257.08148	1.1
257.19012	0.5
259.06067	6.0
260.06830	0.9
275.09152	100.0
275.20126	2.3
275.23669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.258
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03957	1.7
55.05520	13.4
57.07068	6.7
58.75597	1.7
67.05247	1.8
67.05518	21.8
69.06727	3.2
69.07079	36.2
69.14559	8.1
69.14986	12.4
79.05502	11.7
81.07071	72.9
83.08627	13.7
91.05477	8.5
93.06496	2.4
93.07059	36.9
95.08627	75.8
97.10180	8.0
98.20789	3.7
105.07040	25.3
107.08616	50.3
109.10173	57.6
111.11701	5.8
119.08587	19.6
119.75253	1.9
121.10165	48.5
123.11721	40.9
133.10139	13.3
135.11700	29.6
137.13252	11.8
145.10075	2.0
147.11707	17.6
149.13275	53.3
151.14835	7.3
161.13277	25.9
163.14841	28.8
165.16371	2.4
175.14850	14.8
177.16397	17.7
189.16396	18.1
191.17979	12.2
203.17938	16.7
217.19554	34.2
222.92195	2.0
229.09778	2.0
231.21069	2.3
273.25809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1126
Annotation	Dikegulac
Peak:m/z	Relative Intensity
53.03945	3.3
53.57096	1.4
53.82625	1.4
55.01871	2.2
55.05516	30.9
56.96572	3.9
57.03447	3.5
59.05004	9.9
61.02925	2.0
65.03941	5.7
65.33615	1.6
67.05511	15.3
68.99786	2.2
69.03438	11.6
69.07074	2.3
70.06598	4.4
71.05003	1.6
71.50687	2.8
72.08168	2.9
72.91173	1.8
81.03418	2.5
81.07083	1.9
82.06554	1.7
83.04987	100.0
84.04513	3.5
84.08167	5.8
85.02905	10.7
86.06076	2.2
86.09731	7.8
87.00828	1.9
87.10065	1.9
92.14523	1.9
93.03423	9.5
93.07057	1.8
95.04991	18.4
95.06094	8.9
95.08610	2.2
97.02905	4.8
97.06529	1.9
98.97598	6.3
99.04466	2.0
100.07616	3.9
101.00916	6.8
102.81133	1.6
107.04978	3.5
111.04453	40.4
113.00053	3.2
113.02424	3.4
113.07149	2.0
116.87287	1.7
116.98682	2.7
119.01936	11.5
119.04983	2.2
121.02913	8.7
125.02328	2.2
127.03959	2.2
129.05492	23.7
129.07028	3.0
131.01971	3.5
132.12973	2.0
133.05176	2.0
139.03926	20.5
143.00154	1.7
143.01945	2.8
143.03470	2.0
145.03529	5.4
151.07643	2.0
153.05508	3.8
155.01994	1.8
155.05058	1.9
157.05025	12.1
157.06526	4.7
158.13782	2.4
158.99611	1.7
159.05040	2.5
161.03021	5.6
167.01945	2.7
169.03563	2.7
171.06561	6.9
173.02983	4.1
173.06720	2.4
175.06117	3.5
185.03015	7.0
185.06267	4.9
187.04478	2.0
191.07147	1.6
193.07007	1.6
203.04044	7.9
213.05505	2.6
215.04070	4.0
215.07352	2.9
217.07062	18.3
217.08841	1.8
221.05176	2.5
229.05167	1.8
243.06538	2.1
245.08037	2.7
257.02698	17.1
257.04657	1.5
257.10239	16.5
275.03546	14.7
275.11105	76.6
275.13574	3.9
275.16910	3.1
275.20016	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	1.3
55.05517	9.6
57.03439	1.0
57.07076	0.7
59.04992	0.7
65.03956	1.0
66.73038	0.6
67.05183	1.0
67.05514	12.6
69.07076	8.2
69.55959	3.4
71.04993	1.3
71.56719	0.5
79.05500	12.5
81.07064	14.3
83.04963	1.6
83.08616	3.6
91.05490	28.1
93.07055	13.1
93.16158	0.5
94.85747	0.5
95.04964	1.6
95.08617	8.7
97.06526	1.5
97.10167	1.5
103.05457	1.2
105.07041	42.5
107.04947	1.4
107.08607	11.0
109.06508	1.7
109.10156	4.0
111.08086	1.2
115.05513	0.7
117.07035	8.0
119.08596	27.3
121.06510	2.0
121.10143	4.6
123.08042	1.2
123.11744	1.1
125.09628	1.1
128.06226	1.0
129.07013	1.8
131.08578	10.1
133.10141	26.2
135.08058	2.2
135.11694	2.4
137.09616	1.2
137.56551	0.6
141.06932	0.6
143.08559	1.7
145.10124	11.9
146.10881	1.0
147.08098	0.7
147.11693	17.5
149.09639	4.3
149.13283	1.0
151.11206	1.0
155.08629	1.0
157.10114	2.6
159.11711	8.6
161.09590	0.9
161.13287	5.8
163.11186	2.4
169.10156	1.2
171.11725	3.0
173.13263	3.4
175.11189	0.8
175.14775	0.9
177.12724	1.3
177.64563	0.6
183.11700	2.2
187.11218	0.9
187.14737	0.8
197.13318	1.6
199.14746	0.6
201.12810	1.1
205.12279	0.6
211.14722	0.8
213.16342	0.6
213.32381	0.6
215.17903	0.9
219.13965	1.0
229.19475	1.7
233.15410	1.1
239.17995	2.8
247.20642	1.4
257.19003	6.5
275.20081	100.0
276.20364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.10195	1.3
53.03938	2.5
53.63351	1.4
55.05501	6.6
57.07084	2.2
67.05506	7.2
68.99785	3.0
69.07066	4.5
69.66052	3.5
69.66460	5.8
71.04988	3.8
77.65049	1.5
78.61236	1.5
79.05502	5.6
81.07072	10.4
81.92097	1.5
83.04976	3.4
83.08618	2.6
85.06533	3.2
86.80173	1.3
91.05467	6.9
93.07065	9.1
95.04975	25.3
95.08630	8.9
97.06526	2.2
99.08103	2.1
103.05479	5.1
105.07049	21.6
105.41082	1.5
107.04957	4.1
107.08598	10.3
109.06532	27.9
109.10168	7.8
111.08087	5.9
117.07023	6.3
119.08584	25.5
121.02880	4.5
121.06523	15.9
121.10130	8.0
123.04436	2.7
123.08064	19.4
123.11653	2.0
128.06247	2.0
129.07013	6.6
130.07779	2.2
131.08589	16.2
133.06444	2.2
133.10162	11.4
135.08067	19.4
135.11703	3.8
137.02325	7.1
137.05972	2.8
137.09612	10.5
142.07800	7.4
143.08594	11.5
143.09511	2.2
145.06551	1.7
145.10136	41.0
147.08061	3.5
147.11723	18.0
148.05237	2.0
149.05994	18.3
149.09634	3.1
151.11197	5.0
155.08516	3.4
156.09370	9.4
156.10445	1.6
157.10143	25.1
158.10915	4.6
159.08035	4.7
159.11739	13.4
161.09631	6.6
161.13289	5.4
163.07585	17.0
163.11234	3.0
165.06956	1.9
167.08498	2.3
169.10130	5.2
170.10991	4.4
171.11710	20.8
172.08867	1.7
173.09703	7.2
173.13289	26.8
174.10454	2.3
175.11182	7.3
177.12798	3.1
182.10934	5.3
183.11722	3.7
185.13263	11.1
186.10472	1.9
187.11223	16.7
187.14853	6.5
189.12807	18.1
195.11725	3.0
196.12488	2.6
197.13239	13.6
198.14125	1.6
199.11185	13.1
201.12788	2.6
203.14371	5.6
203.17984	2.0
207.11798	2.8
208.12466	2.0
211.14818	5.3
212.15622	2.9
213.12856	3.4
213.16391	18.7
215.12277	2.8
215.14337	45.3
217.12296	8.5
225.12701	2.2
227.17868	2.7
229.15874	4.6
231.13908	1.8
231.17424	17.6
237.16380	1.9
240.15167	2.0
243.13951	2.2
255.17479	29.0
273.03973	2.3
273.11182	5.2
273.18524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71614	0.2
53.03946	0.2
55.01873	0.4
55.05518	0.3
56.09511	0.2
56.96576	2.5
57.03446	0.6
61.02921	0.6
63.22823	0.2
63.62154	0.2
65.03952	0.2
68.05044	0.2
69.03423	0.7
69.07055	0.3
70.06605	1.3
70.44307	0.2
70.44656	0.5
72.08155	0.8
73.02937	0.6
74.00663	0.3
78.03467	1.4
79.05511	0.2
80.05025	2.6
81.03433	0.3
81.07058	0.2
82.06589	0.5
84.04499	0.5
84.08158	1.0
84.96046	0.4
85.02917	1.9
85.04030	0.5
85.06543	0.3
86.09706	0.4
88.04000	0.8
95.04945	0.3
96.04512	1.9
97.02906	0.7
98.06170	0.2
98.97602	2.0
99.04491	0.3
99.09222	0.8
100.04785	0.2
103.03999	0.2
106.02926	3.9
110.06051	0.6
110.07168	0.5
116.07089	0.8
116.98636	0.7
117.02014	0.2
118.35282	0.2
119.01912	0.3
120.01177	0.4
121.02882	1.0
123.04408	0.3
124.03973	100.0
124.99134	1.2
125.04286	0.2
126.09188	0.3
127.03883	0.3
127.08703	2.1
129.10304	0.4
130.08644	0.2
131.03563	0.2
134.99715	0.2
138.05519	0.3
140.03442	0.6
143.00189	2.3
144.00462	0.2
144.06506	0.2
145.76039	0.2
147.04433	0.2
149.04475	0.2
152.89880	0.2
152.98631	0.3
155.08162	0.8
158.99628	0.4
159.03172	0.3
161.01282	1.3
161.04555	0.4
162.37335	0.2
170.05252	0.2
170.99763	0.3
173.09154	0.3
177.00697	0.3
177.05621	0.2
185.01216	0.2
186.99263	0.2
189.00754	0.4
189.04074	0.4
196.06024	0.5
197.09253	2.8
198.40118	0.2
211.56055	0.3
213.09361	0.2
215.48764	0.2
219.01924	0.3
223.01167	0.4
226.07147	0.7
231.01787	0.3
237.02811	0.3
249.02840	1.1
249.05092	0.3
254.06624	0.8
254.24547	0.2
267.03915	1.5
272.07706	24.0
285.05060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	43.7
69.03436	100.0
69.57440	58.0
69.57844	37.0
70.06597	33.9
73.02904	25.3
85.02915	85.0
87.04485	33.4
97.02901	69.2
101.00926	23.8
107.32274	15.1
115.03943	38.1
127.03932	28.7
133.04953	31.0
143.01920	48.3
150.28325	19.4
161.02992	30.9
161.05557	24.8
174.04582	17.6
183.05103	26.3
185.02982	24.7
185.05873	16.1
203.04050	22.5
209.12541	20.5
245.05092	17.1
263.06113	19.6
271.20798	16.9
273.03778	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0762
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
53.03941	3.7
54.50857	1.0
55.01864	3.8
55.05506	2.4
56.96562	2.1
61.55693	1.0
65.03941	4.6
67.05510	9.1
68.99802	10.0
69.03429	5.0
69.07066	3.4
70.06593	3.2
71.01359	1.3
71.04988	1.5
71.50890	1.6
72.08146	1.9
72.48640	1.1
72.56842	1.1
79.05498	4.2
81.03418	3.9
81.07070	1.7
83.04999	8.8
84.08156	5.7
84.12589	1.0
85.02903	3.2
85.06559	1.7
86.09695	3.4
86.24004	1.0
91.05507	10.6
93.03422	4.7
93.07063	2.0
95.04984	25.3
95.08600	2.1
97.02884	3.6
97.06551	2.5
98.97598	2.6
99.00827	4.4
100.07612	3.0
103.05437	1.2
105.07051	5.6
107.04972	54.5
107.08586	2.5
109.02879	1.4
109.06569	2.1
111.00819	2.5
111.04450	8.3
115.05467	2.7
119.04961	82.5
119.08573	1.5
120.05741	1.5
121.02868	7.7
121.06521	3.3
123.04451	61.6
127.03951	4.7
128.06224	1.4
129.05554	1.1
129.07021	1.9
129.10251	2.1
131.04938	2.1
131.08525	1.6
133.02791	1.1
133.06516	23.1
135.04428	3.0
135.08095	1.8
137.02351	1.6
137.05962	1.9
139.03923	100.0
141.06998	3.5
144.01172	3.8
145.06516	7.1
147.04436	30.1
147.08139	1.6
149.02370	17.7
149.05998	4.1
151.03931	44.4
151.07567	1.7
152.06261	1.4
153.01781	1.6
153.05617	1.2
153.07027	3.2
157.02878	4.0
157.06512	5.6
159.08078	3.0
161.05997	13.0
163.03955	3.7
163.07642	1.1
169.06517	3.1
171.04378	6.6
171.08031	2.2
173.06013	2.1
175.03929	6.5
175.07521	2.5
179.03455	4.7
181.06491	5.1
185.05949	5.6
186.06779	1.4
187.07593	4.7
189.05524	8.1
197.05960	1.7
199.03856	1.5
199.07591	5.5
201.05426	1.9
201.09158	1.3
202.06139	4.1
203.03424	23.8
203.07005	3.9
212.04768	2.2
213.05518	4.6
213.09084	2.2
215.07053	17.4
227.06963	8.7
229.05022	1.7
231.06543	4.3
241.04881	1.7
243.06564	16.8
245.04376	2.7
245.08124	35.5
246.05183	2.8
255.06569	17.5
255.11353	3.5
273.03940	25.7
273.07562	35.1
273.12268	7.6
273.15128	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0761
Annotation	Licodione
Peak:m/z	Relative Intensity
53.03940	0.5
55.01874	0.6
55.05510	2.6
57.03428	1.1
60.19257	0.4
65.03948	1.8
67.05517	2.6
68.99799	1.8
69.03429	1.0
69.07081	3.0
71.01360	0.5
71.04987	0.9
71.52337	0.7
79.05500	2.0
81.03416	3.6
81.07076	3.1
83.04997	1.0
83.08615	0.7
84.08125	0.4
85.06543	0.7
91.05501	3.6
93.07047	2.5
95.04991	1.0
95.08629	3.1
97.02937	0.7
97.06541	1.2
98.97575	0.7
103.05463	1.3
105.07033	2.2
107.04959	1.9
107.08615	2.1
109.02884	0.5
109.06530	0.6
109.10208	2.3
111.04463	1.8
111.08059	0.5
115.05465	1.2
117.07038	1.0
119.04939	3.0
119.08588	2.3
120.02116	0.5
121.02883	100.0
121.06491	1.3
121.10171	2.0
123.04455	1.4
123.11727	0.9
127.03914	1.0
128.06226	0.6
129.07028	0.9
131.04933	0.8
131.08574	1.8
133.10146	2.5
135.08090	0.8
135.11711	1.0
137.02354	96.8
137.05971	1.8
137.09648	0.9
141.07080	0.6
142.07822	0.6
143.08582	1.3
145.06503	0.9
145.10129	1.3
147.04436	2.6
147.11673	1.2
149.06004	1.9
149.13232	0.7
152.06314	0.6
153.05853	0.4
153.06970	2.4
155.08635	0.8
157.10133	1.4
159.04437	36.2
159.11745	0.8
160.05272	0.5
161.06017	0.7
161.13252	0.7
162.06805	0.8
163.03909	6.3
163.07602	1.0
163.14839	0.9
167.08565	0.9
169.10126	0.5
171.08035	1.3
171.11679	1.2
172.05124	0.6
173.06058	1.2
173.13310	1.0
181.05087	0.6
181.06451	2.2
185.09601	0.6
185.13284	0.6
187.03877	0.5
187.14894	0.6
189.05495	0.9
189.16422	0.5
191.03415	5.3
195.08086	0.7
198.06882	0.6
199.07590	1.2
199.14819	0.5
200.08383	0.4
201.09125	10.9
203.03433	5.2
213.09164	2.3
217.05028	1.1
217.08665	0.5
217.19487	0.5
227.06949	0.7
231.02911	59.0
241.08650	1.4
245.04529	0.5
245.08028	1.3
255.06560	1.1
255.10170	0.7
255.17570	0.9
273.04346	1.1
273.07611	27.8
273.11160	3.7
273.15851	0.9
273.18515	4.9
273.21844	0.9
273.22556	0.9
273.25739	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
53.03960	0.4
54.47319	0.2
55.01862	0.7
55.05511	0.6
62.32391	0.2
64.26756	0.3
65.03953	0.4
67.05515	1.4
68.99791	1.7
69.03445	0.5
69.07078	1.3
71.04990	0.6
71.51852	0.4
75.42355	0.2
79.05470	0.7
80.40944	0.3
80.85777	0.2
81.03419	0.8
81.07064	3.2
83.04953	0.3
83.08620	0.6
85.06549	0.4
88.18363	0.3
91.05486	1.7
93.07050	2.0
95.04951	0.3
95.08617	2.9
96.65087	0.3
97.06531	0.6
97.10217	0.3
98.97585	1.1
99.08083	0.6
103.05511	0.4
105.03418	1.3
105.07033	1.9
107.04951	1.1
107.08621	1.7
109.02870	0.4
109.06514	0.4
109.10168	1.7
112.99151	0.4
115.05450	0.4
117.07008	1.5
119.04961	0.7
119.08588	1.4
121.02914	0.4
121.10146	2.2
123.04434	0.6
123.11694	0.6
124.07555	0.3
125.09650	0.3
127.11205	1.2
129.07022	0.4
131.04944	0.7
131.08583	0.9
133.10126	1.4
135.04414	0.3
135.11682	1.1
137.02354	13.9
137.06013	0.8
137.09647	1.0
141.07008	0.9
144.05678	0.6
145.06465	2.8
145.10170	1.5
147.04413	0.9
147.11687	1.2
149.02362	0.5
149.09663	1.3
149.13301	0.5
153.01830	0.9
153.07008	0.9
155.04916	0.5
155.06076	0.9
155.08575	0.5
155.10690	0.9
158.99706	0.4
159.08055	0.4
159.11687	1.7
161.02354	1.9
161.13289	1.0
163.14862	0.4
163.91937	0.3
165.07056	2.1
167.10690	1.3
169.06483	0.8
173.01195	0.6
173.06006	6.0
173.13278	1.2
175.03848	0.4
175.14845	1.0
177.16389	0.4
181.06496	0.5
183.08089	1.2
187.03967	0.4
187.07622	1.3
187.14824	0.9
189.05536	0.5
189.16440	0.7
193.06503	0.4
196.05266	0.3
197.06020	2.2
200.04686	1.3
201.05484	28.6
201.16391	0.5
203.07002	0.3
211.07489	1.3
215.07036	7.4
215.17975	0.7
219.01674	0.3
223.16920	0.9
225.05405	1.9
229.04985	2.6
229.19534	0.4
235.16913	1.1
243.06584	2.3
243.10210	0.5
244.99719	0.5
250.09853	0.5
253.04953	2.2
253.09413	0.4
253.18103	0.5
271.06036	100.0
271.09341	3.9
271.24203	5.7
272.06396	0.6
289.15344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
51.69107	0.1
52.81209	0.1
53.03949	0.5
55.05506	0.1
60.83922	0.1
65.03948	0.2
66.04722	0.2
67.05497	0.3
68.99805	0.3
69.34827	0.6
69.35251	0.5
74.26067	0.1
77.03921	0.2
79.05497	3.5
81.07052	1.8
91.05488	0.6
94.04185	1.3
95.04969	1.1
101.68669	0.1
103.05495	0.1
105.03429	0.3
105.04518	0.2
105.07012	0.2
107.04966	0.6
109.06519	10.3
118.04181	0.2
119.04932	0.6
121.06496	0.8
123.04436	10.3
131.04958	0.2
133.06491	0.4
133.10156	0.2
135.04419	0.6
135.11646	0.2
137.05984	100.0
138.06316	0.3
146.03554	0.2
147.04420	4.2
148.05191	0.1
149.06047	0.7
159.08194	0.1
161.05991	7.5
162.06738	0.3
163.03891	1.3
163.37715	0.1
165.07021	0.2
177.05418	0.7
182.07263	0.1
183.08139	0.1
201.09157	0.2
210.06775	0.3
211.07573	0.3
225.09114	0.2
228.07867	0.1
229.08624	0.2
240.07829	0.2
243.10188	1.0
256.07230	0.2
271.06110	1.1
271.09641	8.0
271.24200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.02382	0.3
52.37086	0.3
53.03948	0.7
55.05508	0.6
57.03443	0.4
67.05506	0.7
68.99802	1.2
69.07062	0.6
69.42950	0.3
70.77339	0.8
77.03922	0.4
79.05505	1.3
81.07059	1.3
83.04984	1.4
84.23824	0.3
87.75232	0.4
91.05482	3.5
93.07084	0.8
95.04977	1.2
95.08621	1.1
96.01550	0.3
96.02119	1.1
99.98292	0.3
102.04645	0.4
103.05477	52.3
105.03413	0.8
105.04521	0.5
105.07043	1.0
107.04968	0.9
107.08605	0.8
109.10166	0.4
111.04463	4.5
119.08610	0.7
121.10167	0.6
129.57483	0.3
131.04939	93.4
133.02892	0.7
133.10095	0.6
137.06000	1.4
139.03914	1.0
139.66870	0.3
141.07008	2.3
144.05725	0.4
147.11754	0.5
151.11331	0.3
152.01056	3.1
153.01862	0.8
153.07057	0.4
155.08557	1.3
157.10271	0.4
161.13269	0.4
165.05560	0.6
165.07010	2.1
167.03416	37.1
169.06540	2.4
169.10144	0.8
173.09717	0.5
173.13237	0.5
183.08044	2.0
185.04440	0.8
186.82047	0.3
193.04974	0.8
193.06493	0.6
196.05095	0.4
197.05994	3.2
197.09787	0.5
199.14780	0.4
201.09093	0.8
211.07552	5.1
211.14844	0.7
215.07001	0.7
221.05995	0.9
225.09111	1.3
228.49342	0.3
229.08614	4.9
229.15884	0.4
239.07057	4.3
253.08614	1.0
256.07263	0.7
268.21182	0.4
271.06180	9.9
271.09656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1903
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
50.00502	2.5
51.23895	2.8
53.03943	5.9
55.05525	15.5
57.07082	6.3
65.03960	3.6
67.05512	38.7
69.03451	7.0
69.07069	18.7
70.05582	12.3
71.04988	5.6
79.05507	21.5
81.07069	30.5
83.04993	7.2
83.08636	9.0
91.05497	24.8
91.43185	3.1
93.07050	32.5
95.04980	29.7
95.08622	52.1
97.06561	12.4
98.21337	4.0
103.05500	4.3
105.07042	49.5
107.08606	30.1
109.06538	13.1
109.10176	23.1
111.08102	6.0
115.05460	4.3
117.07057	12.4
119.08605	49.9
121.06546	3.9
121.10185	20.7
123.08108	16.8
123.11752	6.2
128.06250	4.9
129.07025	14.5
129.07930	3.0
130.07759	5.3
131.08597	43.2
133.10159	40.6
135.08064	6.7
135.11688	5.9
140.75847	3.4
141.07014	6.2
142.07788	15.7
143.08565	34.8
144.09348	9.2
145.10135	41.9
147.08151	5.6
147.11688	14.6
153.07050	3.2
155.05128	3.5
155.08609	10.6
156.09343	16.4
157.10162	37.1
158.10915	14.7
159.11716	24.3
161.09642	4.7
161.13275	4.2
163.11253	6.3
167.08664	4.6
169.10194	8.8
170.10905	16.2
171.08029	7.0
171.11710	47.5
172.12466	6.5
173.13310	48.9
175.11311	7.9
179.08624	3.3
180.09395	5.1
181.10181	3.9
183.11765	13.6
185.09703	4.0
185.13264	52.7
186.14075	8.9
187.14919	13.4
193.10246	5.9
194.11063	5.3
195.11757	11.0
195.13927	4.1
196.12489	7.0
197.13281	6.7
199.11197	6.7
199.14900	12.9
209.13295	10.0
211.14810	18.4
213.12767	22.4
216.76936	3.7
221.13242	4.3
223.14937	2.9
227.14400	6.3
241.19542	9.1
251.18001	8.9
269.08191	28.3
269.13013	9.5
269.19110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44412	2.2
55.05490	3.3
56.96575	3.6
57.03413	4.2
58.89720	2.2
59.05007	14.8
61.02906	3.2
63.45890	2.0
67.05471	2.3
69.03406	4.3
69.59927	14.6
70.06596	7.5
71.01364	2.9
72.08152	2.9
73.02914	2.6
73.06190	3.4
73.06566	53.8
75.04485	11.0
79.05518	2.5
84.08150	2.9
84.33344	2.0
85.02923	12.0
85.06546	2.8
87.04041	2.5
87.04475	21.1
89.06048	2.5
91.07581	6.2
97.02845	5.2
98.97652	5.4
101.02393	2.2
103.03925	11.1
104.07140	2.6
105.07047	3.1
110.07196	3.1
119.03439	2.5
120.08079	11.0
121.02908	4.0
127.03888	4.9
131.03410	13.4
132.08075	6.2
134.09628	5.3
138.95593	2.3
145.04869	3.0
161.04501	30.5
166.08630	4.1
206.11876	6.2
217.03456	100.0
221.27425	2.4
224.12775	19.0
235.04524	32.1
252.08650	3.6
270.09558	5.1
270.13361	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.45694	0.1
65.03930	0.1
65.69665	0.1
67.01869	1.4
67.05499	0.1
67.29094	0.1
68.99792	0.8
70.55345	0.1
79.91076	0.1
80.30837	0.1
80.47462	0.1
81.07054	0.1
91.05472	1.2
95.08617	0.1
95.78748	0.1
102.47619	0.1
111.00825	0.2
119.04957	4.2
121.02875	1.4
125.02311	0.1
129.01823	0.1
131.04887	0.1
141.06981	0.2
145.02853	1.3
153.01843	10.2
155.04984	0.1
157.06474	0.1
163.03905	0.8
168.45374	0.1
169.06500	0.3
171.02907	0.6
187.03922	0.2
197.05888	0.2
202.06329	0.1
203.07066	0.2
211.03903	0.1
215.07205	0.1
225.05383	0.5
229.05006	0.5
243.06544	0.7
247.06108	0.1
253.05052	0.2
270.05621	0.1
271.06030	100.0
272.06461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Genistein
Peak:m/z	Relative Intensity
55.01861	0.2
55.05513	0.1
57.07055	0.1
57.44833	0.1
57.89599	0.1
60.82171	0.1
65.03949	0.3
67.01888	0.5
67.05494	0.2
68.99792	1.0
69.03426	0.5
69.07068	0.3
71.05004	0.6
71.35751	0.2
79.05480	0.2
81.03423	0.2
81.07062	0.8
83.08614	0.1
85.06555	0.1
86.71841	0.1
89.03916	0.2
91.05484	4.2
93.07048	0.4
95.01315	0.3
95.04941	0.3
95.08585	0.4
97.02895	0.2
97.06536	0.3
99.08061	0.2
103.05463	0.1
105.03388	0.5
105.07008	0.3
107.04941	0.4
107.08598	0.4
109.02859	0.3
109.06509	0.3
109.10146	0.3
111.00797	0.3
115.05463	0.3
117.07001	0.3
119.04944	1.7
119.08576	0.4
121.02878	0.6
121.10135	0.3
123.00693	0.1
123.04367	0.2
124.07601	0.2
125.09579	0.2
127.11190	1.1
127.52335	0.1
128.06250	0.1
129.07010	0.3
131.04956	0.7
131.08563	0.5
133.02876	0.3
133.06535	0.2
133.10141	0.2
135.04451	0.3
135.11749	0.1
137.02348	0.4
137.05969	0.4
137.09628	0.7
141.07010	1.2
145.02863	2.1
145.06470	0.5
147.04419	0.4
147.08054	0.3
147.11708	0.2
149.02362	3.5
149.09622	1.0
149.13345	0.1
150.03151	0.1
152.06264	0.2
153.01837	11.2
153.06979	0.3
153.09117	0.1
155.04913	0.2
155.08534	0.2
155.10652	0.9
157.06480	0.2
159.04428	1.6
159.08058	0.4
159.11728	0.1
161.09657	0.1
165.01834	1.2
165.06996	0.8
167.03387	0.1
167.10663	1.0
169.06473	2.0
169.07814	0.1
173.05969	0.4
175.07552	0.3
177.76422	0.1
181.06499	0.3
183.02916	0.2
183.04430	0.4
183.08067	0.5
185.06047	0.2
185.11736	0.2
187.03911	0.4
187.07571	0.7
189.16399	0.1
191.03333	0.2
192.38028	0.1
193.06451	0.1
197.06006	2.5
199.07285	0.1
200.04739	0.3
201.05515	0.4
203.03505	0.1
210.32980	0.1
211.07481	0.6
212.08482	0.1
213.05408	0.3
215.07037	7.8
217.15915	0.2
219.06544	0.1
221.05974	0.1
223.16946	0.7
225.05460	0.8
225.08995	0.8
226.06361	0.2
227.07115	0.1
228.04214	0.1
229.04967	0.1
235.16896	1.0
242.05864	0.2
243.06538	5.4
253.04984	2.7
253.07858	0.2
253.08755	0.1
253.18048	0.3
271.06021	100.0
272.06384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.34112	0.7
53.03935	3.5
55.01867	1.7
55.05519	20.0
55.39814	0.9
57.03441	25.6
57.07063	4.0
62.12093	0.8
65.03931	2.9
67.05512	75.4
69.03419	1.6
69.07073	25.8
71.05002	7.5
71.08634	1.3
74.88723	0.8
77.03944	1.0
79.05501	47.3
81.03404	2.8
81.07063	100.0
83.04996	13.5
83.08623	17.8
85.02916	1.3
85.06557	4.9
85.06946	0.9
86.09659	0.8
91.05487	28.9
93.07053	71.2
95.04979	6.8
95.08617	27.0
96.02485	0.7
97.06548	14.9
97.10175	1.2
99.08115	4.5
105.04528	1.7
105.07047	11.8
107.04926	1.4
107.07877	1.9
107.08604	34.6
109.06522	3.5
109.10164	5.6
111.04465	2.0
111.08107	9.0
111.11706	1.2
115.05453	1.0
117.07030	13.4
118.78773	0.9
119.08578	4.0
121.06480	1.5
121.10161	18.2
121.34353	0.9
121.40208	0.7
123.11713	5.0
127.07608	1.0
129.06985	0.8
131.08566	15.9
133.10147	19.1
135.08034	2.5
135.11713	11.2
142.07755	1.1
143.08560	1.4
147.08098	1.0
147.11707	3.0
149.13274	44.5
151.11165	2.2
153.09152	1.1
157.10136	2.7
159.11705	31.5
161.13284	4.6
162.81438	0.8
167.14334	2.1
171.11705	2.9
173.13252	1.1
177.12761	17.1
179.14357	3.0
195.13828	18.6
197.05965	0.9
198.06732	1.9
199.14865	1.2
213.09117	1.9
213.16554	1.3
226.06306	2.4
237.05501	1.4
251.16367	1.3
254.05753	2.2
269.04694	1.2
269.08142	25.8
269.17502	82.0
269.22363	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	269.1752
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02388	1.0
53.03939	3.3
55.01863	3.9
55.05273	1.2
55.05518	20.4
57.03445	39.9
57.07081	5.9
59.11066	1.1
65.03940	2.2
67.05514	81.9
69.07079	32.2
69.25523	8.4
71.01345	1.2
71.04996	5.3
77.03930	1.1
79.05502	45.2
81.03423	2.5
81.07069	100.0
83.04987	11.1
83.08629	20.8
83.18477	1.0
85.06554	6.9
91.05494	22.3
93.07057	80.5
95.04987	5.0
95.08616	25.6
95.09158	0.7
97.06544	15.1
97.10164	3.3
99.04498	1.1
99.08120	5.3
101.98370	1.0
105.07049	8.6
107.08607	44.2
109.06503	2.9
109.10159	5.8
111.08086	11.5
111.11707	1.1
113.06001	1.7
113.09647	2.4
117.07024	8.4
119.08578	3.7
121.06535	2.1
121.10159	25.8
123.08065	1.3
123.11733	2.5
125.09639	1.5
131.08583	11.1
133.10139	9.8
135.08061	2.8
135.11690	13.1
139.11208	3.5
145.10083	1.2
147.11682	3.0
149.09636	1.9
149.13277	65.1
151.11203	2.1
153.09126	1.0
159.10466	1.9
159.11717	25.8
165.12813	1.3
167.14302	1.5
173.13184	1.1
177.12784	13.1
179.88882	0.9
195.07999	1.1
195.13829	21.0
265.36600	1.1
269.04526	1.7
269.08087	6.9
269.17496	81.3
269.22491	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02364	0.7
53.03945	2.9
55.01877	3.9
55.05513	18.3
57.03441	36.5
57.07084	4.3
57.42551	0.7
59.04998	0.8
65.03938	1.4
67.05509	74.9
69.03424	0.8
69.07073	31.6
70.77063	1.5
70.77408	0.7
71.01349	0.9
71.04996	6.1
71.08635	0.8
73.02927	1.5
77.03947	0.9
79.05498	43.4
81.03425	2.4
81.07061	100.0
83.04993	12.0
83.08623	19.0
85.06550	6.0
91.05486	23.2
93.07049	74.1
93.07908	1.0
95.04976	6.0
95.08608	27.7
97.06541	15.6
97.10179	2.5
99.04478	1.1
99.08083	5.4
105.04533	1.5
105.07043	8.2
106.78382	0.7
107.04968	1.1
107.08600	40.5
109.06516	4.0
109.10146	4.1
110.08107	0.7
111.08078	10.4
113.06042	1.3
113.09628	1.4
117.07027	9.8
119.08581	5.7
121.06563	1.8
121.10150	23.2
123.08082	0.8
123.11707	3.4
125.09625	2.2
127.07573	1.6
129.07043	1.3
131.08597	10.1
133.10143	9.1
135.08084	2.4
135.11700	11.0
139.07605	0.8
139.11195	2.9
143.08542	1.3
145.10147	1.2
147.11731	3.0
149.09619	1.2
149.13268	60.4
151.11209	1.3
157.10176	2.0
159.11697	22.2
165.12744	1.0
167.14297	1.5
173.13297	1.0
174.59500	0.8
177.12796	11.5
181.06493	1.5
187.14903	1.2
195.08156	1.5
195.12004	1.1
195.13817	20.4
197.06018	1.8
198.06735	2.0
199.14835	1.2
213.09061	1.1
213.14833	1.9
223.07697	0.8
225.09010	1.4
226.06229	3.5
227.07021	1.9
237.05684	1.2
241.08719	1.8
251.07034	1.0
251.20198	1.1
254.05827	3.6
269.04749	1.8
269.08105	32.1
269.17477	74.7
269.22617	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	269.1751
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03941	3.6
55.01866	4.6
55.05519	21.4
57.03441	27.2
57.07048	5.5
67.05511	78.0
69.07076	30.0
71.04976	6.2
71.52163	2.6
73.02916	1.4
74.43928	1.5
79.05496	45.4
81.01385	1.6
81.03407	2.4
81.07062	100.0
83.04990	9.2
83.08244	1.8
83.08633	20.9
85.06531	6.8
91.05485	32.0
93.07053	78.1
95.04988	8.7
95.08615	33.4
97.06551	18.2
97.10206	1.8
99.08064	4.2
105.04515	2.1
105.07052	11.8
107.04963	2.2
107.07904	1.8
107.08614	34.2
109.06533	4.0
109.10140	6.9
111.04449	2.7
111.08096	10.5
112.49799	1.6
115.35978	1.5
117.07005	15.8
119.08565	5.2
121.10159	18.0
123.11681	5.5
129.07031	2.7
131.08601	19.1
133.10147	18.4
135.08070	2.2
135.11697	12.9
139.11151	1.6
145.10068	2.0
147.11681	3.8
149.13266	40.9
151.11195	2.5
159.11713	31.8
161.13210	5.7
167.14380	1.6
170.07291	1.7
171.11755	1.9
177.12752	17.8
179.14301	4.4
181.06429	2.5
195.13876	13.8
213.09158	3.9
215.18015	1.9
226.06230	3.4
229.98227	2.0
237.05426	2.6
238.06306	2.0
254.05667	3.7
269.04507	6.7
269.08078	48.8
269.17456	73.8
269.22589	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03928	4.6
55.01860	2.4
55.05519	19.1
57.03441	31.0
57.07051	4.6
58.96276	1.3
65.03947	3.1
67.05509	81.0
69.03405	2.4
69.06731	1.8
69.07071	27.4
69.56764	4.6
69.57175	3.6
71.04990	5.2
79.05494	44.9
81.03413	2.4
81.07062	100.0
83.04992	12.4
83.08626	17.6
85.06548	5.9
86.53523	1.2
87.39928	1.1
91.04921	1.3
91.05486	30.3
93.07048	73.0
95.04958	8.5
95.08608	25.7
97.06535	18.6
97.10155	2.9
98.21500	1.7
99.04440	1.3
99.08071	5.8
99.55995	1.2
105.07030	13.9
105.57292	1.2
107.04947	1.3
107.08602	39.6
109.06524	3.7
109.10153	4.4
111.08070	10.1
117.07017	14.9
119.08565	4.7
121.06499	2.2
121.10152	23.2
123.08029	2.2
123.11683	5.1
131.08568	15.4
133.10121	17.4
135.08075	2.9
135.11713	15.4
139.11208	1.7
141.07022	1.3
143.08517	1.8
147.11722	1.5
149.09607	5.0
149.13264	45.7
151.11182	2.0
159.10490	2.1
159.11714	32.8
161.13295	3.2
167.14302	1.6
177.09190	1.7
177.12762	17.6
179.14343	2.4
185.13124	1.5
195.13840	17.4
197.05977	1.6
198.06706	2.5
213.09096	3.1
226.06161	4.3
238.06277	1.5
251.16449	2.4
254.05862	2.2
269.08090	40.5
269.17474	92.8
269.22357	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	2.9
55.01862	3.8
55.05514	20.7
55.48269	1.3
57.03442	28.8
57.07061	3.9
67.05511	74.0
69.07076	33.3
69.36421	7.7
71.05000	7.8
71.08626	2.2
77.97747	1.5
79.05503	47.4
81.03417	3.4
81.07066	100.0
83.04990	11.3
83.08634	19.6
85.06551	8.3
91.05489	22.6
93.07053	75.4
95.04981	6.1
95.08614	30.4
97.06010	1.6
97.06541	17.7
97.10167	3.6
98.97584	2.7
99.08070	5.0
105.04529	1.6
105.07034	13.6
105.53225	1.3
107.07874	2.0
107.08605	42.3
109.06506	5.7
109.10161	7.5
111.04506	1.6
111.08083	11.7
111.11699	1.7
113.09566	2.4
117.07023	9.9
119.08647	6.6
121.06483	1.9
121.10160	27.4
123.08059	3.2
123.11689	4.7
127.07588	1.9
129.06981	2.0
131.08580	12.3
133.10147	12.4
135.08029	2.4
135.11708	15.0
139.07516	2.6
139.11119	2.8
143.08598	1.7
145.10104	3.5
147.11678	3.6
149.13277	48.9
151.11116	1.6
155.08501	1.8
157.10139	2.5
159.11703	28.9
161.13286	1.9
171.11684	1.4
173.13213	1.6
175.14769	2.0
177.12766	11.4
181.06490	2.3
185.13206	2.1
195.13823	17.1
197.06032	2.6
198.06737	2.6
199.14853	1.8
209.05952	1.6
213.09108	3.8
223.07555	2.4
226.06233	4.1
227.06917	1.9
237.05476	1.9
241.05020	2.0
241.08620	2.9
246.69437	1.6
249.08775	2.4
251.20064	2.2
254.05728	5.3
269.04510	7.1
269.08099	47.7
269.11328	4.2
269.17453	74.5
269.22565	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.2
55.01859	3.3
55.05278	1.3
55.05516	17.4
57.03443	35.2
57.07080	4.6
59.05006	0.8
65.03930	2.5
67.05511	74.7
69.07076	30.3
70.25074	0.8
70.70729	1.9
71.04722	0.7
71.04994	6.9
71.08613	0.8
73.02905	1.3
77.03913	0.8
79.05501	42.7
81.03407	2.5
81.07066	100.0
83.04990	8.9
83.08164	1.4
83.08626	17.0
85.02882	1.0
85.06545	7.0
87.04438	0.8
88.73493	0.9
91.05489	19.2
93.07053	71.6
95.04980	5.7
95.08614	27.0
97.06538	14.5
97.10168	2.7
97.79213	0.8
98.21429	1.1
98.23380	1.0
99.04448	1.1
99.08112	5.9
101.69345	0.8
102.97417	0.9
105.04510	1.1
105.07037	8.3
107.07880	1.9
107.08602	35.8
109.06520	3.0
109.10183	4.5
111.08084	9.2
111.11715	1.8
113.06047	0.8
113.09641	1.4
117.07013	10.0
119.08566	3.6
121.06484	1.3
121.09340	1.7
121.10159	25.5
123.08064	0.9
123.11721	2.6
125.09647	1.9
127.07574	1.4
131.08588	9.3
133.10139	9.5
135.08028	2.0
135.11687	12.8
139.07510	1.3
139.11172	2.7
143.65755	0.8
145.10133	1.2
147.11671	2.6
149.09636	1.1
149.13277	57.6
151.11209	1.1
157.10150	1.5
159.11707	24.1
167.14328	1.5
169.05035	1.0
170.05730	0.9
177.12770	10.3
195.13809	16.5
213.14783	1.7
226.06296	0.9
233.18884	0.9
251.20123	0.8
269.04440	9.1
269.08078	9.0
269.17493	68.4
269.22495	3.3
272.17102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03926	1.6
55.01871	3.2
55.05512	21.7
56.78564	1.7
57.03443	30.6
57.07066	4.3
65.03937	2.8
67.05508	80.6
69.03431	2.1
69.07071	26.6
70.25331	2.8
70.25681	5.7
71.04996	9.1
79.05500	49.0
81.03394	2.8
81.07063	100.0
83.04989	14.6
83.08620	23.0
85.06547	4.2
91.05482	29.6
93.07049	85.2
95.04964	8.0
95.08612	35.3
97.06528	21.7
97.10141	2.5
98.21394	1.9
99.08086	7.0
105.07027	15.0
107.08606	40.0
109.06531	2.8
109.10141	6.8
111.04468	2.5
111.08102	8.6
111.08692	1.6
117.07014	11.6
119.08604	3.4
121.10155	21.6
123.11737	3.6
125.05955	1.9
130.70522	1.6
131.08556	19.2
133.10139	17.0
134.10390	1.7
135.08029	3.4
135.11716	12.2
145.10086	2.5
149.13269	49.7
151.11180	2.4
154.05894	1.7
159.11714	35.4
161.13234	4.7
167.14314	2.5
168.64005	1.8
177.12761	18.0
179.08582	2.0
179.14394	2.8
195.13799	16.7
206.34319	1.7
210.50812	2.0
213.09122	1.8
241.05075	2.6
251.19975	2.7
253.05084	4.1
265.23883	1.7
269.04529	6.9
269.08133	33.3
269.17505	88.3
269.22601	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.09526	1.8
50.94374	1.5
53.03938	4.8
55.01876	2.8
55.05518	21.2
57.03445	36.9
57.07070	5.6
65.03937	2.3
67.05511	81.9
69.06728	2.9
69.07076	32.9
70.26086	1.4
71.04982	6.6
71.52680	2.4
79.05501	48.4
81.03421	2.2
81.07066	100.0
83.05000	15.3
83.08632	17.3
85.06562	8.2
91.05495	29.4
93.07054	79.1
95.04982	9.4
95.08620	31.7
97.06535	16.9
97.10173	4.0
99.08103	6.0
105.07056	12.7
107.04888	1.7
107.08610	44.7
109.06496	2.5
109.10164	4.8
111.08086	10.6
113.09680	1.7
117.07027	11.9
119.08562	5.6
121.06514	2.4
121.10163	20.8
123.11752	4.0
125.09608	2.3
129.06990	1.8
131.08586	12.4
133.10158	15.0
135.08104	2.5
135.11707	15.3
139.11197	2.4
140.99135	1.6
145.10168	2.3
147.11662	1.6
149.13281	53.3
158.99773	1.5
159.11714	30.9
171.11769	2.3
173.13214	1.9
173.93295	1.7
177.12801	14.8
179.14311	1.7
193.21292	1.8
195.13844	20.4
213.09105	2.8
213.16615	1.8
226.06229	3.4
269.04681	3.1
269.08154	28.0
269.11108	3.5
269.17487	84.2
269.22552	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	269.081
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
52.60749	0.1
55.01881	0.1
67.05483	0.1
67.95010	0.1
68.99775	0.2
70.04232	0.4
75.77916	0.1
79.05484	0.2
81.07068	0.2
81.30039	0.1
87.52375	0.1
90.04697	0.1
93.07031	0.1
103.05453	0.2
105.03399	0.1
105.07039	0.3
107.04960	2.4
108.02090	0.4
109.13004	0.1
117.76023	0.1
118.04169	5.2
123.04431	0.2
127.22762	0.1
129.07051	0.1
131.04883	0.1
133.02844	0.2
133.06483	0.9
135.04347	0.2
136.01570	1.2
137.01361	0.2
137.02341	2.1
141.06956	0.1
141.38965	0.1
147.04437	0.2
152.06218	0.3
153.06989	0.4
154.02620	1.5
154.55180	0.1
155.08537	0.2
156.05699	0.9
157.06532	0.2
158.07249	0.3
163.03885	0.5
165.07037	0.2
167.08614	0.1
169.06454	0.3
170.07306	0.9
171.08096	0.2
180.05649	0.3
181.06497	1.6
182.07275	0.8
183.08174	0.1
184.05211	0.4
185.09602	0.3
195.08090	0.4
197.05986	4.1
198.06752	2.2
199.07561	0.2
200.04671	0.3
208.05161	0.2
209.05983	0.4
210.06816	0.2
212.04660	0.1
213.09111	8.5
225.05470	2.0
226.06255	6.6
226.09607	0.1
228.04167	0.2
236.04816	0.1
237.05473	7.8
238.06035	0.2
239.07104	0.2
241.08627	0.4
253.04971	7.9
254.05736	8.6
258.05142	0.1
269.08081	100.0
270.08533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.6
57.03430	3.9
57.07063	3.9
60.04531	1.6
61.02910	2.8
67.04273	1.4
67.05499	1.9
69.03444	8.4
69.58279	9.4
70.06587	5.1
71.08620	4.1
73.02937	2.3
80.56310	1.7
81.04549	5.7
82.06586	55.0
82.99807	1.6
84.04501	2.3
84.08156	13.2
85.02914	9.8
86.06036	2.2
86.09698	1.7
87.04455	3.9
97.02913	8.4
98.97584	5.7
99.04478	2.0
100.07627	100.0
101.00915	7.9
103.00592	1.6
105.03368	2.0
107.04973	2.2
109.33784	1.3
110.07175	17.3
113.00865	3.7
115.02417	4.3
115.03892	1.6
117.99078	2.2
119.01939	9.7
121.01690	1.9
122.07161	12.1
127.03918	3.5
129.04013	2.3
131.01901	5.5
133.03400	2.9
134.06026	1.7
136.00160	1.5
136.06154	1.8
136.07611	3.4
137.04602	54.0
138.05556	1.8
140.07079	2.4
143.01871	4.5
145.03476	3.8
145.04968	2.6
146.08154	7.7
150.05524	1.6
152.07071	5.7
155.01955	3.3
156.07695	4.8
156.97517	1.5
157.03448	3.0
160.04605	1.5
161.02930	2.1
168.05057	2.0
173.02919	2.9
178.54510	1.7
180.00938	1.6
181.03452	1.7
181.09920	1.5
182.06616	5.1
182.08136	1.9
184.04549	1.6
184.08229	1.9
185.02969	7.0
186.03117	3.2
186.04546	2.1
186.06079	2.1
189.00377	3.9
197.06592	5.0
200.07721	3.4
202.05638	2.0
203.04036	3.6
207.12039	3.6
209.04782	2.5
210.06096	7.5
213.02519	1.5
219.01869	2.2
221.05043	2.9
222.02029	3.1
223.04599	2.4
225.07253	3.5
226.97995	1.8
227.04050	2.3
228.04958	3.3
228.07196	66.5
243.08362	3.2
245.04837	2.7
246.02145	2.1
246.05487	6.2
246.08264	82.5
251.04192	2.2
251.15050	2.0
253.26237	1.6
261.08307	2.9
264.03040	14.4
266.04889	2.6
269.12329	10.3
269.15695	8.5
279.09216	4.7
289.04373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1595
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03929	1.5
55.01866	2.5
55.05516	13.2
57.03445	8.7
57.93242	0.6
59.05002	0.6
65.03938	2.0
67.05516	35.4
69.03432	1.5
69.07080	11.9
69.90029	1.4
69.90421	1.5
71.04997	2.6
73.90771	0.8
79.05505	23.0
81.03434	7.8
81.07069	77.9
83.04561	1.0
83.05002	11.8
83.08630	6.6
85.06564	3.4
91.05496	31.1
93.07069	14.9
95.04983	5.6
95.08619	23.5
97.06555	6.5
97.10194	0.9
99.08109	4.2
101.06005	1.6
103.05444	0.7
105.07047	33.1
107.04967	2.8
107.08609	7.7
109.06562	4.3
109.10169	1.3
111.08085	2.1
113.06042	0.9
117.07036	1.8
119.08603	22.4
121.10168	12.8
123.08100	3.7
123.11730	18.6
127.07584	2.3
129.07054	3.4
131.08597	3.7
133.10156	8.1
135.11679	0.7
137.09657	1.2
137.13278	2.5
142.07777	1.1
145.10175	1.9
147.08049	1.0
147.11711	45.2
149.09636	1.9
154.26733	0.6
157.10147	5.1
159.11780	0.8
165.12773	17.6
175.11241	4.4
183.13811	1.6
193.12277	3.9
223.04350	0.7
229.14336	0.8
237.05981	0.7
249.14857	1.2
249.73517	0.7
267.06561	1.8
267.15961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1047
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.97031	0.1
55.01883	0.3
55.05526	0.3
56.96577	0.9
57.03456	0.6
59.05012	0.2
61.02948	0.3
67.05524	0.3
69.03439	0.7
70.06606	0.7
70.25756	0.6
70.98142	0.3
71.05009	0.2
72.08181	0.3
73.02946	0.4
74.02476	0.5
79.05514	0.3
81.03436	0.3
81.07086	0.2
84.04546	0.2
84.08160	1.8
85.02922	1.0
87.04501	0.2
88.04005	1.4
88.04382	0.1
89.06036	0.2
94.04063	0.3
94.06513	0.2
97.02930	0.5
98.21426	0.2
98.97633	0.4
100.07660	0.4
101.06049	0.4
103.05529	0.2
106.05044	0.2
107.04977	3.2
109.02921	0.5
110.07208	0.2
110.97625	0.2
112.07640	0.8
116.03476	0.3
116.98647	0.2
119.03576	0.8
120.08145	0.6
121.06548	0.2
121.08486	0.5
124.03975	0.8
124.08536	0.1
130.08667	0.6
134.04523	2.1
136.06212	100.0
137.04625	0.4
138.05534	0.2
141.05455	0.2
147.06569	0.2
150.05493	0.3
151.05881	0.6
152.04407	0.1
152.07005	0.2
158.99709	0.2
163.04012	0.2
164.02431	0.1
164.07135	0.4
168.03551	0.2
170.99722	0.2
173.01326	0.2
174.04347	0.2
177.07881	1.6
178.05832	0.2
178.07187	0.2
180.03755	0.2
185.02930	0.3
186.04591	0.4
187.04607	0.2
188.07698	0.2
201.00612	0.2
204.05391	0.3
206.11790	6.7
207.02966	0.3
208.03293	1.0
219.01811	0.2
225.05592	0.2
236.02711	0.9
244.99840	0.2
245.05177	0.3
250.03191	0.2
250.07054	0.3
250.10826	0.2
250.12080	0.2
250.14386	1.6
252.05873	0.2
263.00650	0.2
268.07709	0.5
268.10400	6.7
268.15311	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52860	0.6
67.04230	0.7
69.03453	0.6
69.06292	0.6
69.53723	4.0
82.06585	49.5
84.08148	4.6
85.02903	0.7
96.78772	0.6
98.09714	0.7
98.21465	1.2
100.07623	100.0
101.00896	2.2
101.07961	0.9
115.02416	1.1
119.01896	1.2
122.07192	1.2
131.52507	0.6
133.03586	0.7
141.23595	0.7
146.08162	3.2
166.64523	0.6
168.04991	1.3
173.03093	0.7
182.06656	5.0
184.08269	1.9
186.06184	2.1
200.07707	2.4
207.12161	0.9
210.06123	8.3
228.07182	69.8
229.07404	0.9
246.08246	76.2
254.52994	0.7
269.09891	1.8
269.12579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.85880	0.7
53.03948	5.0
55.01868	1.7
55.05517	6.8
57.03440	21.0
58.89887	0.7
67.05509	11.1
69.03412	2.7
69.07047	2.8
69.29589	7.4
70.54150	0.7
71.04982	1.6
71.08622	0.8
79.05487	11.7
81.03421	100.0
81.07059	13.6
83.04974	5.3
83.08618	15.2
91.05486	15.2
93.07056	7.6
95.04970	22.5
95.08629	6.1
97.02888	2.4
97.06525	1.4
97.10154	2.2
98.98479	1.6
105.07022	13.4
107.04992	4.4
107.08588	3.4
109.00157	0.7
109.06508	3.2
109.10179	1.8
111.04440	1.4
111.08105	6.3
113.88328	0.8
115.05528	1.6
117.07005	1.4
119.04861	0.9
119.08587	10.6
119.21920	0.9
121.06494	1.9
121.10129	4.2
129.06995	8.0
131.08557	7.5
133.06500	2.1
133.10130	2.7
142.07758	3.0
145.10078	1.1
147.08038	3.2
147.11674	7.1
149.09601	4.2
157.10121	8.0
163.11163	0.9
165.12759	2.7
175.11230	8.4
185.13263	1.0
193.12257	20.0
203.06961	0.9
211.13315	2.8
223.13339	0.9
267.15912	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	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03959	1.7
55.01845	2.1
55.05506	8.1
57.03419	5.4
57.07095	2.7
57.79336	1.6
63.93435	1.5
67.05510	26.2
67.53923	1.7
68.44202	1.8
69.07082	15.1
69.84828	8.8
71.04984	5.1
79.05498	20.2
81.03404	8.9
81.07059	76.3
83.04970	6.0
83.08591	6.9
85.06525	5.1
89.04906	1.6
91.05480	30.2
92.05795	4.0
93.07052	10.8
95.04955	5.4
95.08611	20.3
97.06509	6.8
99.08080	4.6
105.07040	20.8
107.08583	7.2
109.06494	5.4
109.10146	2.1
111.08018	1.5
116.58923	1.6
117.07030	2.6
119.08597	17.8
121.10152	14.6
123.08022	6.4
123.11718	16.2
124.76064	1.6
129.06937	2.0
131.08530	2.4
133.10112	5.4
135.11674	1.8
147.11699	41.9
157.10143	2.4
165.12776	20.7
184.49643	2.1
192.00739	3.3
193.12291	3.5
193.50119	13.2
196.00374	1.6
201.01247	13.1
202.50632	13.5
210.01706	3.2
212.51999	3.6
222.03603	3.5
223.53035	3.9
225.14572	2.0
235.04379	9.1
244.04959	24.3
246.55293	3.0
249.18539	2.8
255.55762	4.2
267.06512	4.5
267.15903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1596
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03952	1.1
55.01874	1.1
55.05521	7.9
55.11891	0.3
57.03445	3.6
57.07075	0.8
59.05034	0.5
59.66533	0.3
63.80959	0.3
65.03942	1.1
67.05514	26.0
69.03437	0.5
69.07076	9.6
69.88954	1.5
71.05001	1.8
73.06562	0.5
79.05502	15.2
81.03434	1.6
81.07067	68.8
83.04993	5.4
83.08629	5.3
84.58517	0.3
85.06554	3.6
91.05492	18.5
93.07057	9.5
95.04984	2.3
95.08620	19.2
97.06547	4.3
97.10146	0.4
99.08105	3.4
101.06049	0.8
105.07047	25.2
107.05003	0.5
107.08602	7.3
109.06528	3.7
109.10173	1.6
111.08112	1.0
113.06015	0.5
117.07004	0.5
119.08596	18.3
121.10159	12.3
123.08097	2.6
123.11725	18.1
127.07600	1.7
129.07019	1.0
130.25392	0.4
131.08582	1.6
133.10152	2.8
137.13257	1.7
141.09116	1.0
145.10117	1.0
147.11705	40.9
157.10139	1.9
165.12775	16.4
175.11205	1.5
183.13847	1.1
193.12273	1.2
211.13298	0.3
229.14363	1.0
242.21950	0.4
249.14973	0.4
266.55450	0.3
267.15942	100.0
268.16312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
57.03437	0.3
59.04996	0.8
61.02944	1.2
69.40465	1.3
69.40871	0.3
71.04993	2.3
73.74397	0.2
79.05494	0.8
81.07053	2.8
84.04509	0.4
91.05500	0.4
94.04081	1.1
101.22886	0.2
109.02873	0.5
110.76047	0.2
119.03530	2.0
120.08121	0.2
130.04994	0.3
136.06197	100.0
137.04601	1.2
163.03969	0.4
207.06546	0.7
234.10056	0.3
234.13513	19.2
266.16141	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0502
Annotation	Kynapcin 13
Peak:m/z	Relative Intensity
52.96538	0.4
55.08977	0.4
58.18239	0.5
68.89443	0.5
69.07056	0.5
70.00671	1.9
84.05035	0.5
84.27757	0.5
85.02911	2.1
87.08115	2.3
97.02908	0.5
105.03395	0.5
107.04945	1.0
109.02876	0.8
121.02883	0.7
123.04443	6.8
133.02866	6.2
135.04401	1.4
151.03915	4.0
153.01839	0.8
161.02341	1.0
163.03922	5.9
165.01869	3.8
174.71175	0.5
177.05391	0.8
179.03394	10.0
189.01842	1.3
191.03426	1.3
204.30748	0.5
205.01421	0.9
207.02904	100.0
208.03236	0.9
217.01646	0.4
221.04434	3.7
223.02403	1.8
235.02386	65.6
267.13388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1343
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.91476	0.3
53.03942	0.4
55.01852	0.4
55.05517	0.4
55.84344	0.3
56.05031	1.3
59.04997	0.8
67.05499	0.4
70.06587	0.4
71.05454	0.3
71.14860	0.5
71.15182	0.4
73.39793	0.3
76.80379	0.3
79.05495	1.0
81.03399	0.6
81.07049	0.6
83.04989	0.3
84.04515	24.7
84.08151	0.4
85.02911	1.2
86.46758	0.3
89.06029	0.8
91.05492	2.2
93.07056	4.9
95.04972	0.8
95.08610	0.7
97.02901	0.5
97.06557	0.5
99.04431	0.4
102.05541	1.0
103.03961	0.5
103.05470	3.7
105.03441	0.4
105.07043	0.8
107.04968	0.8
107.08618	0.6
109.02889	1.1
111.08074	0.3
119.04918	0.6
119.08549	0.4
120.04523	1.4
120.08093	0.3
121.06516	100.0
123.04441	0.3
127.03941	0.4
130.05020	14.7
133.10204	0.3
135.04430	0.3
135.08093	0.4
138.09155	33.7
143.08546	0.4
145.10226	0.3
151.03914	0.3
151.46513	0.3
163.09708	0.4
165.01894	0.6
176.10754	0.4
177.05576	0.5
178.08711	0.4
179.03419	0.9
185.23135	0.3
190.29710	0.3
193.04951	0.5
193.08563	0.3
204.10222	3.9
207.02907	2.9
221.04503	1.6
221.12965	2.8
235.02481	1.5
249.12547	0.5
249.15538	0.6
250.10783	17.2
267.13440	15.5
267.16409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61867	0.6
57.81265	0.6
59.05012	0.7
60.04534	11.9
65.03957	0.8
69.18214	6.7
69.18549	1.3
70.02958	6.0
88.04002	54.4
91.05491	85.0
98.21587	1.1
102.05553	100.0
111.08218	0.7
113.02403	1.1
129.65312	0.6
130.04999	1.8
146.06036	2.0
148.06059	56.8
206.08138	4.4
220.09694	8.1
234.07600	2.6
234.30682	0.6
248.09180	2.5
266.10300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.2
57.07073	1.2
60.59637	1.0
65.03919	1.9
67.04224	2.7
69.03416	4.6
69.07056	1.3
70.06573	1.5
71.04980	1.1
71.51597	1.4
71.51971	1.3
72.08130	1.4
74.02449	1.1
79.05467	1.3
80.05009	1.4
82.06587	100.0
83.07373	1.5
83.36874	1.1
84.04505	1.2
84.08133	1.2
85.02895	1.5
88.03986	4.6
91.05457	2.3
93.07015	1.1
95.04989	1.3
97.02895	1.4
100.07626	24.7
103.05473	1.1
105.07003	1.2
105.74891	1.1
109.02917	1.5
119.08627	1.8
120.01152	2.2
120.08082	1.8
121.02878	61.1
122.07143	2.8
123.07461	2.0
124.32541	1.0
127.03885	1.4
128.07091	62.2
131.08577	1.2
136.06158	1.0
139.03893	1.0
146.08133	17.8
147.06821	1.6
148.07529	2.6
148.11203	1.1
152.04468	1.7
152.05687	25.6
163.03957	1.5
164.07010	1.1
176.10699	10.1
182.99690	1.8
190.07304	1.2
201.00661	3.3
204.10193	15.4
207.02917	6.2
220.09717	2.3
230.08145	1.3
235.02310	2.3
248.09184	1.6
248.12914	6.7
266.07333	2.6
266.10193	51.2
266.12726	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	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65554	0.1
62.86010	0.1
65.93156	0.1
68.15054	0.1
69.08068	0.1
71.50123	0.2
78.25555	0.1
82.99837	1.0
86.60580	0.1
101.00887	5.9
116.98856	0.2
119.01928	6.9
128.93799	0.1
129.51849	0.1
134.99945	0.3
137.02953	0.4
140.98834	1.9
142.03545	0.1
157.02065	0.2
158.99902	4.7
165.99677	0.4
175.03026	0.4
177.00966	14.7
178.01080	0.2
182.99884	1.4
183.01324	0.2
193.04115	0.2
199.03046	0.5
200.02760	0.1
201.00935	4.3
201.02466	0.4
217.04088	2.6
219.02022	19.8
219.94547	0.4
220.02171	0.6
221.02396	0.1
225.00859	2.2
227.99760	0.2
234.00758	0.4
242.03596	0.2
242.96262	0.4
243.02013	15.0
244.02328	0.2
261.03073	100.0
262.03247	1.1
263.03543	0.3
266.00464	0.2
266.03375	0.3
284.04654	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01871	1.3
55.05491	1.1
56.05015	0.8
56.96562	3.6
57.03440	4.0
59.05022	0.7
61.02940	2.7
65.03924	0.8
67.05489	1.6
69.03435	10.6
70.03756	1.3
70.06601	4.5
71.01344	0.8
71.04974	1.7
72.08152	3.6
73.02918	4.1
74.06071	1.0
74.85213	0.5
77.00900	0.5
79.00649	0.7
79.05499	0.9
80.05006	1.2
81.03436	4.3
81.04546	4.1
82.04860	1.7
82.06587	8.1
83.00624	0.5
83.04977	0.7
84.04494	1.3
84.08162	3.2
85.02442	0.9
85.02909	14.2
86.03226	1.2
86.06049	0.7
86.09686	1.6
86.99346	0.6
87.04023	0.5
87.04484	6.0
88.04001	0.6
91.05480	1.3
94.06564	2.3
95.04951	0.5
97.02901	10.9
98.03218	1.4
98.06064	0.5
98.97587	5.7
99.04440	2.0
99.97976	0.5
100.07624	13.8
101.00892	7.8
103.00622	0.8
104.10750	6.2
105.02115	0.6
106.06546	0.6
107.04948	1.5
108.44170	0.5
109.02870	2.9
110.07156	1.2
110.97564	0.8
111.02987	0.6
111.04453	1.3
112.07615	0.7
113.00864	1.2
115.02453	0.9
115.03949	2.9
116.07073	1.5
116.98653	2.9
119.01921	13.0
119.04916	1.4
120.02015	1.6
120.06602	1.0
121.01670	1.5
121.02891	5.9
121.03677	0.8
121.06525	0.6
122.02017	0.8
122.03201	0.9
122.06081	2.1
122.07159	23.8
123.05598	3.1
123.07506	17.4
124.99100	0.7
127.02443	0.8
127.03964	4.5
128.04295	0.7
131.01935	3.3
133.03441	1.4
133.04993	1.3
134.99768	0.7
136.06163	0.7
137.02954	1.7
137.05971	1.8
139.02444	0.8
140.98833	1.0
143.00137	0.7
143.01909	2.5
144.02010	1.0
144.04799	8.3
144.22879	0.6
145.01649	1.5
145.03371	3.1
145.05162	5.7
146.03622	0.8
146.08080	1.3
146.99599	0.8
147.03252	0.7
147.04364	1.9
147.08067	1.0
148.07594	0.9
149.06010	1.1
150.05511	8.8
155.01921	2.2
156.01964	0.6
157.01659	1.0
157.03456	2.4
158.03558	0.7
158.06644	0.6
158.99846	3.5
160.04924	1.0
161.02922	2.4
163.02701	2.1
164.03033	1.9
167.01901	1.0
167.06982	0.9
168.54555	1.0
169.05402	3.5
169.55537	0.6
171.05042	0.8
173.01350	0.8
173.02946	2.2
173.08514	1.0
174.03116	0.8
174.54637	0.9
174.98581	0.7
175.02875	1.3
175.04474	1.6
176.10732	1.7
176.93314	0.6
177.00974	17.7
177.09061	0.9
178.04793	1.0
178.06067	0.7
182.99796	0.7
185.02943	2.3
185.05595	1.7
186.03185	1.2
187.02783	1.0
187.04492	0.9
191.05598	0.7
200.04379	0.7
200.06168	1.8
201.00792	3.8
201.02469	4.7
203.04008	1.7
204.10245	1.7
207.01523	0.9
217.04068	2.5
219.01985	23.2
219.03946	1.1
220.02164	1.1
220.10841	1.4
221.04881	1.1
223.04515	0.7
225.00696	2.9
227.10352	0.7
235.06621	0.7
236.06786	0.7
237.06097	0.8
243.01836	11.3
245.04865	0.8
248.03354	4.1
248.12810	1.4
259.04877	0.6
261.03070	100.0
262.03009	0.7
263.03323	0.7
266.03098	1.8
266.06247	0.9
266.08652	1.1
266.11163	1.4
266.13800	6.2
266.16016	12.4
276.06561	0.8
277.07748	1.8
278.07913	5.4
279.07474	2.3
284.03897	8.6
289.12799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03952	6.3
55.05515	12.9
65.03940	7.1
66.30988	5.5
67.05505	32.1
69.03434	43.7
69.07060	5.5
69.98794	22.8
71.05000	7.8
72.77998	4.3
79.05515	25.2
81.03407	6.8
81.04533	5.9
81.07062	18.9
83.04983	15.2
83.43722	4.5
85.02949	5.2
91.05486	53.0
93.03411	5.7
93.07053	42.7
95.04978	39.7
95.08624	23.4
97.06518	7.0
98.20828	5.3
99.04524	8.1
99.09249	4.7
103.05434	5.5
105.07034	71.6
107.04954	6.5
107.08613	25.5
109.06534	38.4
109.10159	8.2
109.63349	4.6
111.04465	38.0
111.08086	9.4
113.06015	18.2
115.05418	6.3
117.07032	18.8
118.06615	5.1
119.08586	88.2
120.08126	38.4
121.02866	20.5
121.06512	50.6
121.10170	14.1
122.07175	23.2
123.08078	21.3
128.06274	9.8
129.07028	21.5
131.08589	51.1
133.06503	9.0
133.10136	20.8
135.08060	100.0
136.07591	11.5
137.09628	15.5
139.03941	10.2
139.07533	9.6
141.07014	10.0
142.07803	11.0
143.08595	20.8
144.09360	12.5
145.06512	19.4
145.10164	37.7
146.00308	5.1
147.08041	46.1
147.11676	19.0
149.05986	6.8
149.09637	14.4
151.07564	9.9
155.08600	12.1
157.06541	9.2
157.10141	27.6
158.07253	29.0
159.08090	54.9
159.11693	43.9
161.09601	39.5
161.13290	5.6
165.09161	31.4
169.10278	6.5
171.08000	11.7
171.11758	11.3
172.08861	22.6
173.05933	6.4
173.09637	23.1
173.13312	25.2
175.07559	86.5
175.11182	37.5
183.11711	13.6
185.09589	7.2
187.07579	5.7
187.11214	52.7
189.09125	12.3
189.12831	22.1
193.08556	28.7
196.08926	5.3
199.11201	11.2
201.12727	38.1
203.10684	67.3
205.12143	10.1
211.11235	25.9
217.12161	27.5
219.13809	13.7
229.12230	41.5
247.13144	68.0
265.14417	82.9
275.10684	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.3
55.05519	1.2
57.93928	1.2
59.29784	1.1
67.05508	1.2
69.07078	1.3
71.05909	2.3
73.64545	1.0
79.05486	2.1
81.03413	1.5
81.07050	2.1
83.05025	1.2
91.05481	5.3
93.07048	1.9
95.08618	1.7
102.04674	1.6
103.05468	4.7
105.07059	2.2
107.04954	1.3
107.08596	1.1
109.10191	1.3
115.05466	25.6
117.07027	40.2
119.08579	3.1
122.07162	5.9
127.05473	1.7
128.06209	3.4
129.07010	4.0
130.04135	3.0
131.04991	1.7
131.08580	2.7
132.05768	1.5
133.10114	1.1
135.08046	1.2
135.11702	1.2
141.07037	1.2
143.04951	1.5
144.04770	1.5
144.05789	2.4
145.06497	80.4
147.04416	1.4
147.08057	3.3
149.09604	1.3
155.06044	18.1
156.05698	19.7
157.06517	4.1
159.08087	3.2
160.05142	2.3
161.06004	3.1
167.07053	2.7
172.05316	1.3
173.05998	100.0
174.06648	1.6
175.03967	2.8
175.07617	3.5
184.05180	1.9
187.07565	4.6
189.05457	2.1
190.06261	38.6
202.06259	4.4
203.07045	15.7
205.08611	90.4
217.08615	58.5
219.10231	2.4
220.20171	1.1
235.09662	10.4
247.09776	3.2
247.13327	1.2
247.17024	1.8
265.04669	1.6
265.08459	1.8
265.10843	3.4
265.14273	2.1
265.18030	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.60070	1.7
53.03946	3.9
55.01860	3.9
55.05503	7.1
60.09150	1.7
65.03947	3.9
67.05182	1.8
67.05509	17.3
69.03430	21.0
69.07056	3.3
70.06592	2.7
71.01910	3.4
71.04993	6.5
71.10953	1.4
72.08157	23.2
79.05510	11.6
81.03367	2.2
81.04541	3.7
81.07069	12.2
82.06577	6.5
83.04973	6.0
84.04508	2.3
84.08136	2.5
85.02914	2.2
86.09734	4.0
87.04482	1.9
87.19894	1.6
91.05488	28.3
93.03396	3.2
93.07053	26.4
95.04978	24.1
95.08620	11.6
96.03068	1.7
97.02916	4.2
97.06537	4.7
99.04466	3.7
100.07584	2.3
103.05484	6.3
105.04517	1.7
105.07038	39.8
107.04988	3.3
107.08602	11.6
109.02848	2.2
109.06527	17.8
109.10164	4.0
111.04439	17.2
111.08087	4.6
113.06001	9.3
115.05480	3.8
116.06263	3.7
117.07035	11.5
118.06544	5.0
118.08622	1.7
119.04925	2.5
119.08594	54.1
120.08116	100.0
121.02857	9.7
121.06520	26.1
121.10146	8.1
122.07168	30.3
123.04408	3.3
123.08065	14.2
128.06253	2.1
129.06973	9.3
130.07785	4.0
131.04950	2.1
131.08577	26.9
133.06496	7.2
133.10147	11.8
135.08063	44.5
136.07588	5.6
137.05989	2.4
137.09641	11.0
138.09160	3.0
139.03882	6.1
139.07532	4.4
141.06975	6.0
142.07800	7.2
143.08553	10.6
144.04782	7.0
144.09343	6.9
145.06483	10.1
145.10130	14.3
146.07307	2.9
147.04411	4.1
147.08052	27.6
147.11722	7.7
148.08913	1.8
149.06017	2.4
149.09633	9.2
151.07565	4.6
153.06958	2.3
155.08542	4.7
156.09337	5.3
157.06470	2.8
157.10149	13.5
158.07271	14.8
158.10889	3.6
159.08073	20.3
159.11700	21.5
160.08809	3.1
161.05963	3.7
161.09642	21.4
161.13312	2.6
163.07542	2.4
165.09123	21.1
167.08458	1.7
168.07904	1.7
168.09343	4.9
169.10168	2.2
171.08028	2.9
171.11682	6.4
172.08849	12.2
173.05984	2.5
173.09647	10.0
173.13260	10.8
174.06770	2.9
175.07564	37.8
175.11136	16.7
181.06488	2.7
183.11674	5.9
185.09608	5.2
187.07486	3.0
187.11183	27.0
188.08382	1.9
189.09123	7.6
189.12740	5.7
191.06955	1.8
193.08601	13.0
193.10156	3.7
196.08849	5.2
199.11206	7.1
201.12752	18.4
203.07175	1.5
203.10672	27.7
205.08673	5.4
205.12234	5.2
207.10149	2.2
211.11263	12.6
217.08640	2.0
217.12218	18.3
219.06453	1.8
219.13844	6.6
229.12111	18.9
235.13307	5.4
247.13196	39.8
265.11707	6.6
265.14630	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.03119	1.2
53.03948	1.7
55.05512	16.3
57.03408	1.9
57.07074	13.3
65.03928	2.0
67.05508	87.5
69.07072	16.1
71.04973	1.8
71.08636	7.7
71.52026	1.7
74.09364	1.4
79.05066	2.1
79.05489	22.6
81.07060	96.9
83.04954	1.5
83.08624	17.5
84.28198	1.3
85.06530	5.4
85.10168	4.8
91.04966	2.2
91.05484	20.4
92.61173	1.3
93.07056	25.2
95.04974	4.0
95.08615	94.9
97.06538	9.0
97.10181	8.9
99.08076	4.5
105.07037	14.3
107.08594	15.9
109.06509	2.1
109.10162	47.9
111.08090	5.5
111.11728	1.6
113.09641	3.1
119.07934	1.5
119.08599	14.4
119.23100	1.3
121.10165	18.7
123.08047	2.6
123.10952	2.0
123.11721	22.0
123.47327	1.5
125.09584	1.6
127.11215	1.5
131.08640	2.2
133.10150	16.8
135.11710	12.3
137.09610	3.9
137.13269	10.3
141.12727	2.0
147.11690	9.6
149.13278	8.8
151.11174	1.2
151.14812	7.4
155.14325	1.3
161.13260	10.3
163.14867	8.8
165.16415	10.8
175.14864	8.5
177.16400	1.8
179.17975	4.1
181.15891	3.1
189.16379	3.7
193.10324	1.6
203.17961	2.0
207.68462	1.4
212.29929	1.4
215.08640	1.4
219.20982	1.2
233.13147	1.3
245.22682	41.6
247.11563	2.3
263.14651	17.0
263.23715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03952	1.4
55.01881	1.2
55.05517	13.2
57.03440	1.9
57.07079	12.0
57.21717	0.7
61.91253	0.5
62.48605	0.5
63.47461	0.7
65.03940	3.0
67.05510	78.4
67.21330	0.6
69.07071	15.5
69.81015	3.8
71.05000	1.1
71.08630	6.7
79.05499	19.5
81.07062	100.0
83.04974	1.3
83.08624	14.5
85.06536	5.0
85.10177	3.2
86.42410	0.6
91.05485	16.0
93.07048	21.8
95.04983	1.6
95.08614	81.2
97.06544	7.9
97.10172	5.8
99.08112	6.1
105.04559	0.7
105.07030	11.7
107.08602	13.8
109.06532	1.0
109.10162	45.8
111.08090	4.6
111.11717	1.4
113.09660	2.6
119.08589	12.4
119.09381	1.2
121.10154	16.7
123.08069	2.9
123.11712	17.8
125.09653	1.3
127.11199	2.3
131.08592	0.7
133.10152	14.7
135.11711	8.2
137.09589	2.0
137.13269	7.8
139.11215	1.2
141.12755	1.8
143.08536	0.9
145.10158	0.7
147.11690	9.6
149.13269	11.0
151.11163	1.3
151.14821	8.1
153.12714	0.7
155.14305	2.6
157.10117	1.1
161.13277	11.7
163.14832	8.1
165.16412	9.9
175.14830	8.2
177.16438	1.8
179.17982	4.9
181.15933	1.2
189.16431	4.0
193.10011	0.8
203.18021	1.7
217.19543	1.5
233.13257	0.8
245.22676	37.2
257.88220	0.8
263.17944	2.5
263.23715	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	1.5
55.01887	0.9
55.05515	13.0
57.03436	2.6
57.07083	9.2
65.03932	1.7
67.05512	82.0
69.06725	1.4
69.07072	15.8
71.05004	1.1
71.08644	7.0
77.03931	1.6
79.05502	18.3
81.07065	100.0
83.04990	2.1
83.08633	13.9
85.06548	3.9
85.10177	2.8
91.05486	16.1
93.07056	22.9
95.08619	87.7
97.06556	9.1
97.10175	7.5
99.08081	5.3
105.07050	10.8
107.08604	13.6
109.06502	1.1
109.10167	40.0
111.08118	6.0
111.11703	1.6
113.09654	3.0
117.07029	1.0
119.08592	13.6
121.10162	16.8
123.08102	2.2
123.11726	20.6
127.11177	1.6
128.33740	0.8
131.08569	1.4
133.10141	16.4
135.11702	10.0
137.09612	2.2
137.13269	8.7
141.12759	2.1
147.11694	11.7
148.88252	0.9
149.13266	9.0
151.14818	8.3
155.14316	2.3
161.13269	12.5
163.14824	7.7
165.16417	10.2
167.14345	1.1
175.14848	8.0
177.03773	0.8
177.16437	1.4
179.17955	5.0
181.15889	1.0
187.65109	0.9
189.16458	4.3
194.00963	0.8
197.41124	0.9
203.17923	1.9
245.22676	33.3
263.23730	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03947	1.8
54.81792	1.3
55.05516	13.6
56.54140	1.4
57.07087	11.2
67.05515	84.0
68.78725	1.4
69.07072	18.2
69.91879	7.2
71.04977	2.1
71.08630	6.9
78.22144	1.3
79.05501	21.0
81.07066	100.0
83.04993	2.5
83.08624	14.7
85.06528	3.4
85.10173	3.6
91.05498	15.7
93.07053	20.8
95.08618	89.8
97.06538	10.0
97.10191	8.3
98.20866	2.2
99.08078	5.3
105.07055	11.3
107.05334	1.6
107.08617	16.3
109.06525	4.2
109.10167	41.3
111.08083	3.9
111.11674	1.5
113.09644	2.7
119.08594	14.1
121.10160	19.6
123.08040	2.7
123.11721	25.2
127.11186	2.8
131.08614	1.6
133.10132	15.5
135.11743	11.0
137.09648	3.0
137.13278	8.1
141.12715	2.1
147.11702	11.0
149.13297	12.2
151.14839	9.7
155.14342	3.7
161.13274	14.2
163.14816	12.1
165.12767	1.4
165.16434	10.3
175.14822	9.1
177.06230	1.5
177.16367	1.6
179.17938	6.3
181.15884	1.8
189.16423	4.1
197.00735	1.8
203.17972	1.8
217.19543	1.7
245.22668	43.0
263.20184	11.6
263.23724	89.4
264.24057	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2009
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03954	4.7
55.05267	2.3
55.05515	22.7
55.75343	1.5
57.03441	1.7
57.07079	3.0
65.93816	1.8
67.05511	24.0
69.07070	12.4
71.04987	2.9
79.05502	76.4
79.92101	1.7
81.07063	28.7
83.08620	14.7
85.06533	2.6
91.05489	29.8
93.07052	100.0
94.06618	1.6
95.04954	4.7
95.08617	29.7
97.06532	2.9
97.10163	2.8
98.21728	2.8
99.04472	1.7
105.07031	19.0
107.07875	3.7
107.08601	69.6
109.06503	4.5
109.10178	10.3
117.07037	3.8
119.08611	15.0
121.10153	70.6
123.11729	4.7
125.09634	3.5
129.06929	1.8
129.78610	1.5
131.08549	3.5
133.10124	9.4
135.10699	2.9
135.11702	39.4
143.08539	2.3
145.10135	5.7
147.11684	8.5
149.13257	14.2
151.11221	1.8
157.10126	3.3
159.11693	4.0
161.09511	2.0
161.13298	3.8
163.14743	1.6
171.11694	2.1
181.12245	2.8
203.14270	2.3
207.13805	3.3
220.43648	1.5
221.15483	2.2
227.18030	4.5
245.19023	4.5
263.17117	3.8
263.20096	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03944	1.9
54.81107	1.2
55.01863	3.2
55.05507	2.3
67.05517	6.0
69.03436	8.9
69.07063	2.4
69.47478	5.2
69.47891	2.6
71.04966	1.6
73.01310	1.1
79.05505	7.3
81.07063	7.2
83.04986	3.5
85.02904	6.2
87.04455	4.2
91.05482	12.0
93.07053	6.2
95.04958	6.5
95.08592	2.5
97.02879	4.1
97.06540	16.4
98.97576	1.6
99.04462	2.4
105.07045	9.4
107.04955	2.2
107.08588	15.2
107.90834	1.1
109.02904	3.7
109.06526	6.4
109.10155	1.4
111.04463	7.6
111.08109	1.6
113.02375	4.8
115.05471	3.5
117.07021	6.0
119.04920	3.1
119.08575	11.3
121.06496	6.5
121.10102	1.8
123.04425	8.5
123.08068	13.4
125.06030	1.8
128.06252	4.7
129.07004	4.6
131.04886	1.7
131.08572	9.3
133.06488	5.1
133.10138	5.6
135.08069	100.0
137.05971	5.5
139.03885	2.3
139.07549	2.7
141.06995	2.1
142.07805	7.6
143.08569	10.0
144.09381	2.2
145.06476	5.0
145.10150	5.8
147.04314	1.5
147.08058	9.9
147.11691	2.7
149.06076	1.5
149.09630	2.8
151.07558	3.1
155.08607	1.5
156.09332	11.4
157.10115	8.7
158.07317	3.8
159.08060	9.1
159.11681	11.7
161.06020	6.2
161.09607	8.4
161.13295	1.4
163.07565	6.0
165.07031	1.7
165.09125	9.1
166.07814	3.4
168.09320	1.4
169.06476	2.8
169.10124	1.6
171.08093	3.5
171.11707	8.6
172.08853	5.1
173.06068	1.5
173.09631	11.9
173.13252	3.1
174.10246	1.2
175.07520	5.8
175.11186	7.0
177.09160	1.8
179.07047	1.4
181.10054	3.4
184.08870	5.3
185.09631	6.4
187.07565	3.7
187.11197	32.0
188.08377	3.9
189.05444	2.3
189.09134	2.5
189.12788	4.8
197.09610	1.5
199.07524	3.2
199.11191	22.0
202.09869	2.2
203.10680	34.9
205.08575	3.9
209.09651	2.6
212.08305	4.6
215.10686	23.2
217.08601	2.2
217.12254	23.4
221.11887	1.6
227.10648	16.2
233.11743	22.1
245.11746	63.7
245.15639	2.6
245.48857	1.4
263.10016	1.5
263.12747	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2379
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
53.37782	0.1
54.35511	0.1
56.05048	0.2
57.07079	6.4
58.06604	1.5
60.04536	0.3
63.01582	0.1
68.05048	0.2
69.07057	0.4
69.70014	0.1
70.06596	15.1
71.08244	0.2
71.08635	3.7
72.08152	0.5
74.06100	0.2
77.93040	0.1
83.36744	0.1
84.08151	0.4
86.06097	0.1
88.07635	21.9
101.57725	0.2
102.09186	13.4
111.04443	0.3
113.93292	0.1
132.10234	0.8
146.11795	0.8
150.11298	0.4
156.17479	1.3
163.11234	0.1
174.18527	0.3
181.12291	0.2
186.62247	0.1
191.10555	0.1
200.20103	48.4
201.20499	0.2
227.12846	0.2
229.07196	0.2
244.22737	3.1
262.23782	100.0
263.24094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88656	12.7
64.73117	11.3
65.97451	13.4
69.28708	80.4
69.29131	33.1
72.87456	13.1
94.57897	12.2
101.00928	12.6
130.88957	12.2
143.01915	29.5
152.98225	12.4
161.02979	29.1
171.58543	13.3
177.77556	13.5
203.04167	12.8
204.75116	12.7
209.13771	14.2
263.01736	100.0
263.05557	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	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71803	9.0
68.88835	10.4
70.55128	33.3
72.23900	9.5
83.36072	10.0
105.66480	10.2
134.73335	11.2
155.28497	10.6
161.02994	20.0
263.01685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.128
Annotation	Arglanin
Peak:m/z	Relative Intensity
53.03935	1.4
55.01856	1.4
55.05507	2.3
57.13660	0.9
57.57937	0.8
64.34862	0.9
67.05520	6.6
69.03428	3.7
69.07069	1.2
69.16921	0.9
69.97226	3.4
69.97601	2.1
71.04985	1.0
74.18356	0.9
79.05495	2.9
81.07039	2.5
83.04942	1.8
84.08181	1.1
85.02929	1.7
91.05486	4.8
93.07037	3.3
95.04965	5.7
95.08624	11.7
97.02896	2.9
97.06542	14.1
99.04462	3.9
100.20849	0.9
103.05469	1.5
105.07047	7.2
107.04974	1.5
107.08585	3.9
109.02872	0.9
109.06513	2.7
111.04464	2.3
115.05485	1.9
116.07045	1.1
117.07014	1.8
119.08593	5.5
120.08095	1.0
121.02920	1.1
121.06506	3.4
121.10160	1.5
123.04472	5.1
123.08081	100.0
127.03922	2.6
128.06245	1.8
129.07030	1.6
131.08592	4.9
133.06467	1.6
133.10133	3.2
135.08049	7.7
137.06004	3.9
139.07556	4.3
142.07773	2.3
143.08569	3.4
145.06470	2.1
145.10144	2.5
147.04454	1.3
147.08070	5.4
147.11714	2.1
149.05994	2.2
149.09602	1.2
155.08560	1.2
156.09357	3.9
157.10138	4.6
159.08104	5.2
159.11665	3.9
160.08879	2.1
161.05981	1.1
161.09610	4.5
161.13429	1.0
163.07555	5.1
165.09128	95.9
167.07077	4.3
171.07956	0.9
171.11714	2.5
173.09628	2.2
175.03865	1.0
175.07552	1.5
175.11177	5.9
177.09033	1.4
179.97539	0.9
184.08827	2.7
185.09691	4.8
187.07585	2.3
187.11201	3.7
189.12782	1.1
199.11211	10.0
201.12730	1.2
203.10704	9.3
205.08603	11.2
212.08327	1.9
215.10692	3.7
217.12209	3.7
218.59860	0.9
221.11720	1.3
227.10699	6.3
227.12685	1.1
233.11682	6.6
235.13199	1.2
245.11775	7.4
263.05374	1.2
263.09689	1.6
263.12747	14.2
263.16507	1.1
265.09967	0.9
269.63010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.6
57.79199	0.3
61.02923	1.0
64.16713	0.3
69.28312	1.6
84.08158	1.6
88.10915	0.2
97.02901	0.8
98.21611	0.3
98.97124	0.2
98.97608	2.4
101.00903	2.3
104.95802	0.3
112.45759	0.3
116.98666	1.2
119.01937	4.0
122.97839	0.5
124.02490	0.3
129.10272	0.6
134.99808	0.5
137.02951	0.3
140.98856	1.5
142.03513	0.9
143.01845	0.3
147.11302	0.3
156.97461	0.7
158.99907	3.8
161.02975	0.3
165.97098	0.3
173.03015	0.3
173.22534	0.2
174.97583	0.3
177.00980	15.7
178.01085	0.7
186.48466	0.4
196.94469	1.8
197.94501	1.9
198.98541	0.7
202.00912	0.3
202.93411	1.4
202.95143	0.3
214.95456	2.6
215.95456	3.6
216.99576	0.4
219.02162	0.5
220.02161	1.7
220.94466	2.8
220.96217	0.4
221.03001	0.3
232.96700	0.6
233.96742	1.6
235.03314	0.3
237.97307	0.5
237.99718	0.4
238.95546	32.7
239.45599	0.5
239.95638	0.7
241.45824	0.5
243.96025	0.3
244.02129	1.5
247.96193	5.7
248.46199	1.1
250.00011	0.5
250.46419	7.7
250.96417	1.4
256.45117	0.6
256.96661	100.0
257.96796	2.2
258.96997	0.7
259.44565	0.4
259.47009	5.8
259.97144	1.3
261.02963	0.3
261.80185	0.3
261.97122	7.4
262.03210	9.1
262.13974	0.3
262.47409	0.5
263.02841	0.3
265.95349	0.3
268.45709	0.5
270.97946	0.9
272.94653	0.6
274.94495	1.0
274.97711	20.8
275.97803	0.5
279.98264	29.8
280.98340	0.5
284.98792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01871	0.7
55.05517	9.7
56.61415	0.4
57.03444	1.0
57.07083	3.0
65.03947	1.6
65.64504	0.4
67.05509	31.3
69.07076	9.2
70.96230	0.7
71.04993	1.7
71.08649	0.7
77.03941	0.9
79.05499	41.4
81.03434	0.5
81.07062	34.1
83.04989	1.2
83.08623	5.5
85.06550	2.4
85.10181	0.8
88.12531	0.4
91.04900	0.7
91.05487	18.7
93.07050	51.5
95.04970	2.2
95.08615	26.0
96.59160	0.4
97.06531	3.0
97.10175	2.6
99.08088	3.1
105.04518	1.1
105.07033	13.4
107.08601	34.7
109.06511	1.2
109.09472	0.7
109.10169	10.1
109.10921	0.5
111.08096	2.4
111.11758	0.5
113.09646	1.2
115.05463	0.4
117.07027	4.8
119.06072	0.4
119.08590	11.0
121.10152	34.2
123.08067	0.9
123.11729	3.8
125.09624	0.7
130.07800	0.4
131.08568	10.6
132.63286	0.4
133.10138	10.0
135.11700	25.0
137.09587	1.2
137.13287	1.1
139.11189	0.6
143.08635	0.4
144.09300	0.4
145.10136	10.9
147.11700	8.5
149.02347	1.0
149.13266	19.2
151.11168	1.0
151.14835	0.6
152.49237	0.4
153.12717	0.8
159.11710	8.0
161.13261	9.8
161.14632	0.6
163.11186	0.6
163.14833	15.6
165.12741	0.8
173.13275	7.9
175.14827	3.5
177.12717	0.5
177.16409	4.1
179.14342	1.3
187.14810	5.4
189.16434	1.0
201.16348	2.8
203.17818	0.6
205.14180	0.5
205.15904	1.0
215.17963	1.1
219.17586	0.6
233.22679	1.3
243.21106	26.1
254.73251	0.4
261.04117	0.4
261.22150	100.0
262.22458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.24304	0.5
53.03939	2.0
55.01865	0.8
55.05273	0.6
55.05515	8.7
57.03439	1.1
57.07074	2.9
59.08747	0.6
59.91747	0.5
65.03941	1.5
67.05509	30.1
68.37898	0.5
69.07076	10.0
71.04988	2.1
71.08626	0.8
71.52154	0.7
75.64398	0.6
79.05499	40.1
81.07065	36.8
83.04987	0.6
83.08631	6.0
85.06539	2.9
85.10136	0.8
90.51418	0.6
91.05487	20.4
93.07052	52.1
95.04964	2.5
95.08617	25.1
97.06508	2.8
97.10170	2.5
99.08104	3.7
105.04504	0.9
105.07043	13.5
107.08602	36.0
109.06529	0.8
109.10165	12.5
111.08063	2.5
113.09654	0.8
117.07013	5.1
119.08593	12.3
121.10155	34.3
123.08121	1.1
123.11740	4.1
125.09630	1.1
130.07843	0.6
131.08569	11.5
133.10133	11.3
135.11702	25.1
137.09604	1.6
137.13271	1.3
142.89877	0.6
143.08556	0.8
145.10133	12.9
147.11702	9.4
149.02330	1.8
149.09662	1.0
149.13269	20.5
151.11127	0.6
151.14790	0.7
159.11728	8.1
161.13269	9.3
163.11162	0.7
163.14839	19.2
165.12724	1.2
173.13287	9.6
175.14845	3.8
177.16380	4.6
179.14304	1.8
185.13203	0.6
187.14798	5.8
201.16386	2.8
215.17963	1.2
217.19591	0.7
233.22746	1.1
243.21112	28.5
261.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02378	0.3
53.03945	1.6
55.01864	0.7
55.05512	9.1
57.03433	1.2
57.07080	3.2
60.46252	0.3
65.03939	1.3
67.05506	28.6
69.07069	8.6
69.26441	2.0
69.26857	0.5
71.04992	1.2
71.08635	1.0
73.26886	0.3
77.03937	0.9
79.05494	37.8
81.03429	0.4
81.07058	32.1
83.04985	0.9
83.08625	5.3
85.06543	2.5
85.10204	0.5
91.05483	20.1
93.07046	51.7
95.04975	2.1
95.08609	26.3
97.06544	2.3
97.10183	2.6
99.08096	2.9
105.04518	0.9
105.07034	12.9
107.04974	0.5
107.08597	34.0
109.06524	1.2
109.10162	10.7
111.08086	1.9
111.11681	0.5
113.09645	1.0
117.07027	5.1
119.06097	0.4
119.08590	11.7
119.58102	0.3
121.06514	0.4
121.10149	29.5
123.08074	1.1
123.11700	3.5
125.09633	0.7
129.06995	0.5
130.15086	0.3
131.08565	10.4
133.10133	10.0
135.08078	0.5
135.11696	27.8
137.09610	1.6
137.13263	1.2
139.11177	0.4
145.10132	11.0
145.11278	0.5
145.63232	0.3
147.11690	8.2
149.02409	0.5
149.09593	0.6
149.13260	20.7
151.11177	0.7
151.14841	0.5
153.12709	0.3
157.14333	0.3
158.62415	0.3
159.11696	8.0
161.13264	8.3
163.14821	14.4
165.12750	1.0
173.13264	7.8
175.14833	3.3
177.12753	0.6
177.16393	4.0
179.14320	0.9
187.14832	5.4
189.16405	0.4
191.14285	0.4
191.17958	0.3
201.16333	1.8
203.17920	0.3
205.15900	0.9
215.17882	1.7
217.19533	0.4
219.17424	0.9
233.22694	0.9
243.21089	25.8
261.22141	100.0
262.22379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50594	3.2
78.80013	2.7
131.47340	2.7
169.26538	2.7
171.78326	2.6
193.25464	2.7
207.60281	2.5
236.70432	2.9
242.27263	2.8
261.04861	100.0
284.80859	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	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75562	0.9
53.03932	4.0
55.01860	1.0
55.05515	13.6
57.03428	1.3
57.07084	4.2
65.03954	1.3
67.05510	47.3
69.03422	1.2
69.07073	13.6
69.27924	7.5
71.04985	2.8
77.03887	1.3
77.39445	0.9
79.05499	66.2
81.07063	56.3
83.08624	8.5
85.06532	3.4
91.05487	34.4
93.07050	85.5
95.04980	4.6
95.08619	35.4
96.17957	1.1
97.06554	5.0
97.10151	2.9
98.21548	1.5
99.08102	2.8
105.04535	1.6
105.07037	22.5
107.08601	51.9
109.06509	2.3
109.10160	13.9
111.08100	2.5
113.09654	1.6
117.07036	7.2
119.07807	1.7
119.08591	19.0
121.10152	42.7
123.11732	5.4
125.09660	1.5
131.07631	1.1
131.08575	14.7
133.10141	14.1
135.07970	0.9
135.11696	33.2
137.09656	1.4
137.13271	1.3
139.11165	1.0
145.10126	15.1
147.11719	11.8
149.02361	2.6
149.09689	1.1
149.13268	24.1
151.11212	0.9
159.11705	10.9
161.13271	10.7
163.14838	16.9
165.12721	1.5
173.13286	11.1
175.14803	5.6
177.16412	4.8
179.14293	1.6
187.14850	7.6
193.16031	0.9
201.16415	3.3
215.17990	1.6
217.19365	1.1
233.22702	1.6
239.56764	0.9
243.21086	27.8
261.13043	2.2
261.22153	100.0
262.23059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02367	0.5
52.51068	0.4
53.03951	2.3
55.01849	0.4
55.05512	8.4
57.03424	1.0
57.07084	2.1
59.61726	0.4
61.32315	0.4
65.03944	0.9
67.05508	27.7
69.06725	0.7
69.07071	8.5
70.06332	1.3
71.04987	1.5
71.08623	0.8
77.03937	0.8
79.05497	36.1
81.07060	34.3
83.04981	1.0
83.08629	5.3
85.06554	2.2
91.05481	16.3
93.07048	48.5
95.04964	1.8
95.08612	25.2
97.06536	2.8
97.10197	2.4
98.21467	0.5
99.08109	2.5
99.08655	0.5
105.04510	1.0
105.07036	13.6
107.08599	33.8
109.06531	1.3
109.10163	11.0
111.08096	1.9
113.09659	1.0
117.07018	4.8
119.08585	10.9
121.10148	32.3
123.08038	1.1
123.11726	3.5
127.11167	0.6
131.08574	11.3
133.10138	8.9
135.11699	25.6
137.09625	1.2
137.13213	1.3
139.11179	0.8
145.09042	0.8
145.10136	10.3
147.11703	9.9
147.12799	0.4
149.02293	0.7
149.09679	0.5
149.13268	20.2
151.11186	0.7
151.14807	0.7
153.12686	0.5
159.11697	8.4
161.13275	10.4
163.11246	0.5
163.14833	15.9
165.12753	1.3
173.13257	7.3
175.14838	3.0
177.16409	4.1
179.14243	1.9
187.14867	5.4
189.16335	0.7
191.14397	0.5
201.16423	2.0
203.17931	0.4
205.15889	0.7
211.98766	0.4
215.17908	1.4
219.17456	0.6
233.22627	1.0
243.21104	26.1
261.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
51.72675	0.3
53.03942	1.5
55.05267	0.6
55.05518	9.1
57.03436	1.0
57.06859	0.4
57.07084	3.6
65.03953	1.1
67.05515	28.3
69.07076	8.1
71.04995	1.5
71.08640	1.2
77.03935	1.0
79.05505	36.5
81.03439	0.5
81.07067	34.2
83.04995	0.7
83.08629	5.5
85.06554	2.4
88.46635	0.3
91.05494	18.4
93.07056	52.4
95.04971	2.0
95.08620	26.2
97.06544	2.3
97.10178	2.2
99.08105	3.3
105.04560	0.9
105.07046	13.9
106.88971	0.3
107.08609	32.3
109.06518	1.6
109.10172	11.0
111.08106	2.6
113.09649	1.2
115.05454	0.7
117.07016	4.1
119.08595	11.5
121.10159	30.5
123.08078	1.2
123.11734	4.0
125.09623	1.0
125.63053	0.3
131.08589	11.0
133.10144	9.9
135.08061	0.5
135.11711	23.4
137.09627	1.3
137.13297	1.4
139.11189	0.8
143.08716	0.4
145.10152	11.0
147.11717	8.8
149.02380	1.1
149.09676	0.4
149.13277	20.4
151.11166	0.6
151.14885	0.6
153.12785	0.9
159.11732	8.2
161.13275	8.8
163.14839	16.9
165.12767	1.1
171.11790	0.4
173.13287	7.6
174.61914	0.3
175.14861	3.2
177.16405	4.9
179.14342	1.4
185.24727	0.3
187.14861	5.1
189.16350	0.5
201.16412	2.4
203.17917	0.6
205.15880	0.9
215.18005	1.4
219.17476	1.0
233.22664	0.7
243.21117	28.6
261.22174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30495	0.8
51.46957	0.9
53.03930	0.8
56.96564	1.5
57.03423	1.7
58.06597	1.3
61.02928	2.1
67.05499	0.9
69.03439	4.4
69.07054	1.3
70.06598	6.7
71.04999	1.5
72.08153	4.4
73.02905	2.2
74.45029	0.7
76.26474	0.7
76.56736	0.8
81.03412	2.6
82.06583	40.1
82.99832	1.2
83.06102	2.4
84.04513	6.1
84.08150	17.1
84.99608	1.2
85.02898	4.6
86.09709	12.5
87.04462	1.2
90.54343	0.7
91.05469	0.9
93.66558	0.9
97.02912	4.2
98.03243	1.2
98.09694	2.3
98.21516	1.9
98.97599	1.6
99.04440	1.4
100.07622	100.0
101.00874	3.6
101.07095	0.9
101.07966	1.0
102.00964	2.0
103.00658	4.1
103.01203	0.8
109.02839	1.4
111.76948	0.8
112.07638	1.1
116.07082	3.3
116.87408	0.8
117.02166	1.3
117.10241	1.6
119.01943	4.9
120.02047	3.0
121.01679	6.6
121.98151	0.8
127.03877	1.3
128.07097	6.0
129.02162	1.5
129.10245	2.5
130.03946	0.8
130.04973	5.2
130.08623	1.4
131.01939	2.1
132.05168	1.0
132.10172	1.3
133.01663	2.5
133.03470	2.3
134.03580	1.2
143.01910	1.8
143.11789	1.6
144.06557	3.9
145.01645	2.4
145.03459	1.2
146.08081	1.6
147.03247	5.6
147.07660	6.3
147.11317	2.3
150.55466	0.9
155.01891	1.2
157.01709	2.9
158.03590	2.1
159.03177	2.0
161.02997	1.0
162.05429	1.1
162.55597	1.2
168.05067	1.2
170.04881	1.1
171.11232	1.0
175.02754	2.0
182.06647	3.9
184.08212	1.3
185.02986	1.6
186.06110	2.9
187.02682	2.6
188.04683	1.1
192.04294	1.1
197.12845	1.3
200.04724	1.1
200.07756	1.6
201.02422	1.7
202.05650	2.3
204.07195	3.8
205.03842	1.8
210.06187	4.7
214.10794	4.0
218.05325	1.4
218.08691	1.1
219.03493	1.6
223.04823	1.3
228.07176	54.6
229.03355	1.5
232.11819	2.9
237.06407	4.8
242.10159	5.9
242.14983	4.3
243.13379	2.7
246.08263	60.0
255.07533	3.8
260.02435	4.1
260.04883	1.3
260.07181	1.0
260.11401	10.1
260.15894	1.9
260.19675	7.6
261.05936	5.7
269.09732	2.8
278.04541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91426	0.3
55.27982	0.4
56.96572	1.7
58.16972	0.3
58.42667	0.3
58.55927	0.3
61.02908	0.4
69.48986	2.3
71.95272	0.5
78.51688	0.3
82.99850	0.8
84.08147	1.5
84.96047	0.4
88.42297	0.4
98.97609	7.0
101.00900	3.7
112.96766	0.6
116.98669	2.9
119.01160	0.6
119.01956	7.7
121.01704	0.4
126.77055	0.3
127.26974	0.3
129.02400	0.3
131.01949	0.6
134.99818	1.1
136.01561	0.4
137.03049	0.6
140.98769	0.9
142.03531	0.8
143.00198	0.4
143.01933	0.7
147.05093	0.4
158.97270	0.4
158.99861	2.6
160.92374	0.9
161.03003	1.0
171.04753	0.3
173.02902	0.4
175.03058	0.5
176.04112	0.3
176.98453	0.7
177.00986	12.9
177.47952	0.7
178.93364	1.7
182.99928	1.0
186.48471	1.0
189.02527	0.8
196.90881	0.6
196.94508	14.1
197.97510	0.5
200.98428	0.4
201.00922	2.7
201.02568	0.6
208.98024	0.4
214.92076	1.3
214.95493	32.2
215.04041	0.6
215.95686	0.7
217.02284	0.4
217.04074	2.2
219.02034	18.9
219.96124	3.4
220.02238	0.5
225.00871	2.8
226.46420	0.8
227.99312	0.6
230.93344	0.4
232.93250	1.8
232.96663	15.4
233.96878	0.5
237.97131	25.7
238.05614	0.9
238.95569	3.4
242.97864	1.6
243.02032	14.0
246.47795	0.4
246.94484	1.2
247.96214	0.8
248.99948	1.0
249.50046	0.4
250.46474	1.1
250.94220	0.5
255.95062	2.8
255.98270	9.7
256.45041	0.4
256.96695	12.9
258.45380	1.0
258.96222	0.4
259.47083	0.9
260.99112	7.3
261.03110	100.0
261.97336	1.0
262.03183	1.6
263.03571	0.5
264.95703	0.7
267.45743	1.2
272.94476	1.0
273.94684	1.5
274.97791	3.1
278.99997	1.3
279.98306	3.5
284.04825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Hibiscoquinone A
Peak:m/z	Relative Intensity
55.01875	8.3
55.05505	2.0
57.03440	8.7
67.05505	1.9
69.03431	1.5
69.07057	3.2
69.96082	1.0
71.05000	1.7
71.16364	2.4
79.05475	2.9
79.15250	1.0
81.07072	1.3
83.01344	1.7
89.03897	2.0
90.92960	0.9
91.05498	6.1
92.44122	1.0
93.07049	2.0
95.08620	1.3
97.06540	10.9
103.05441	1.7
105.07028	6.0
107.04986	1.4
107.08570	1.7
115.05456	10.3
116.06256	2.1
117.07021	3.5
119.08568	3.3
121.10197	2.0
123.04427	6.4
126.97256	1.0
128.06230	23.6
129.07024	13.7
130.04149	2.1
131.04926	6.5
131.08609	2.1
133.06528	5.1
133.10123	1.7
135.04385	2.9
139.05434	2.1
140.06229	2.1
141.07004	4.7
142.07782	9.4
143.04926	4.6
143.08580	6.4
144.05699	4.6
145.06506	6.4
145.10162	1.3
146.07243	3.5
147.04402	9.6
147.08069	1.8
148.05205	5.0
152.06210	5.6
153.07030	5.1
155.04892	2.3
155.08600	2.1
156.05701	14.3
157.06514	15.5
157.10136	12.6
159.04413	1.9
159.08038	1.2
159.11755	1.4
160.05209	68.0
161.05998	64.0
161.07022	0.8
162.03114	1.1
162.06757	7.2
163.03937	10.3
163.07588	1.5
165.07002	3.1
167.04883	2.0
167.08569	10.9
168.05704	2.0
169.06502	3.9
170.07236	4.9
171.04395	1.3
171.08058	6.2
173.02351	2.8
173.05995	58.5
174.05263	1.9
174.06781	32.4
175.03926	19.3
175.07568	13.6
176.04701	2.9
181.06477	3.2
183.04472	2.1
183.08078	2.4
184.05206	16.8
185.06003	13.7
185.09625	16.5
186.06796	1.8
187.03864	2.0
187.07503	7.1
188.04713	5.3
189.05527	13.3
189.09119	61.0
195.08069	17.7
197.06021	1.6
198.06767	2.1
199.07565	9.7
201.05495	13.5
201.09113	4.8
201.16446	1.7
202.06267	24.0
203.07014	6.8
203.10703	10.0
211.07529	2.6
212.04765	6.5
213.05679	5.0
213.09116	28.5
215.07036	7.8
217.05031	1.3
217.08606	7.9
229.04997	2.5
229.08649	2.3
230.05762	100.0
231.06592	2.2
231.10172	31.3
241.08601	8.8
259.09677	77.6
259.20517	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.70366	1.3
55.05511	9.1
57.07071	3.5
67.05514	11.0
69.03429	1.8
69.07072	37.3
70.76135	4.1
71.04999	34.1
79.05480	5.9
81.07064	18.0
82.84626	1.3
83.04967	3.6
83.08614	8.0
85.06081	1.9
85.06551	23.4
91.05479	9.9
93.07050	16.3
93.88731	1.4
95.04970	4.0
95.08606	17.9
97.06522	2.2
97.73721	1.5
99.08089	3.0
105.06399	2.4
105.07037	26.9
107.08598	17.6
109.06544	11.1
109.07232	1.9
109.10163	17.8
111.08076	18.2
115.05408	1.5
117.07011	7.7
119.08589	61.5
121.10152	14.1
123.08070	1.7
123.11714	21.9
129.07039	3.4
130.07782	2.1
131.08533	12.0
133.10144	35.8
135.08069	22.6
135.11670	6.0
137.09647	2.1
142.07800	3.5
143.08551	7.5
144.09352	2.9
145.10132	33.6
147.11711	18.1
149.09598	3.1
149.13237	2.9
151.11176	2.0
157.10098	11.8
159.11700	30.6
160.12448	2.5
161.13274	38.8
163.11200	2.3
163.14799	2.0
170.10841	2.0
171.11678	16.9
173.13280	9.3
175.11206	4.5
175.14841	100.0
176.15588	5.8
177.12733	3.4
177.16370	5.3
184.12589	2.0
185.13275	14.4
187.14810	2.1
189.12746	4.6
189.16386	7.9
190.13547	2.6
199.14796	3.5
201.16414	24.3
203.14410	7.6
213.92409	1.5
215.17923	5.7
217.19510	4.2
238.31294	1.7
241.19498	18.7
259.20584	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.9
55.01856	2.9
57.03440	4.0
59.89118	1.6
66.92080	1.8
68.99818	1.5
69.03438	27.5
69.07063	1.6
70.06580	5.0
70.84629	3.7
72.08144	4.3
72.66843	1.7
73.02927	1.8
79.05472	3.3
81.03412	5.6
81.04540	4.1
81.07074	2.8
82.06583	24.4
83.04960	4.8
84.04502	2.0
84.08142	5.2
85.02911	12.2
86.09706	3.3
87.04481	7.9
89.91621	1.5
91.05489	2.7
93.07025	2.6
95.04967	4.6
95.06103	3.6
95.08604	2.4
97.02894	28.6
97.07661	7.9
99.04448	5.5
100.07625	100.0
101.06030	2.3
107.04993	4.0
109.02859	4.1
111.04472	4.2
111.05511	2.7
114.05525	2.1
115.03927	7.1
115.05495	1.9
116.07127	2.0
121.06535	1.5
123.04426	3.6
125.06083	1.8
125.07097	4.0
127.03923	42.9
129.10162	1.6
133.04968	5.7
135.04417	3.3
137.06021	1.8
141.07045	4.7
143.08144	3.6
144.01135	5.9
145.04915	2.3
147.04420	2.4
149.06001	2.2
161.05959	2.2
162.11150	1.6
163.03911	3.0
169.05078	3.0
169.06589	5.0
175.03937	3.2
187.07556	2.8
188.38991	1.7
197.05997	3.2
199.07558	2.2
200.04678	4.7
213.12422	2.1
215.07062	10.4
225.52911	1.7
231.06490	3.5
231.10489	1.9
241.06735	2.5
241.09062	2.8
241.15508	4.5
244.03461	1.6
245.03102	2.3
259.04053	3.5
259.06171	2.1
259.09885	3.4
259.16574	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Hibiscoquinone A
Peak:m/z	Relative Intensity
55.01873	8.0
55.05482	1.2
55.09247	0.8
56.39811	0.7
57.03444	8.0
67.05505	1.1
68.99779	1.4
69.03441	1.0
69.07063	1.8
69.88821	1.1
69.89204	0.9
70.79990	1.9
71.04985	2.0
79.05486	1.5
81.03448	0.8
83.01332	1.4
83.05003	1.0
91.05482	7.3
93.07037	2.3
95.04977	1.0
97.02890	1.1
97.06523	3.1
103.05451	1.3
105.03435	0.9
105.07033	5.8
109.10172	0.9
115.05450	12.2
116.06226	2.9
117.07009	5.1
119.04971	0.9
119.08564	1.9
121.10198	1.0
123.04446	5.8
127.05328	1.0
128.06215	22.8
129.07010	14.7
130.04149	2.3
131.04921	6.5
131.08597	1.1
133.06473	6.9
133.10066	1.2
135.04407	1.0
139.05431	2.4
139.43123	0.8
140.06200	2.3
140.24623	0.7
141.07011	4.2
142.07793	8.2
143.04921	7.4
143.08559	4.9
144.05733	4.1
145.06516	8.9
146.07242	3.4
147.04414	10.6
147.08018	1.3
148.05173	5.4
152.06218	6.6
153.06976	3.5
155.04904	3.0
155.06049	1.6
155.08554	1.7
156.05690	15.1
157.06500	14.0
157.10143	11.2
159.04463	1.8
159.08080	1.5
160.05203	69.5
161.05986	62.5
162.03072	1.1
162.06757	9.4
163.03905	3.8
163.07549	1.9
165.07030	2.3
166.07800	1.4
167.04893	1.8
167.08568	11.2
168.05714	0.8
169.06454	4.2
170.07230	4.5
171.04376	1.3
171.08096	5.7
173.05988	64.7
174.05247	1.5
174.06773	30.7
174.69588	0.8
175.03915	22.0
175.07510	10.5
176.04677	2.6
176.08298	1.8
177.05540	1.0
181.06483	2.2
183.04356	2.3
183.08150	1.4
184.05202	17.3
185.06010	16.3
185.09619	15.9
186.06805	2.0
187.03938	1.8
187.07532	8.1
188.04700	5.2
188.08324	1.2
189.05504	16.2
189.09108	56.5
195.08072	17.3
197.05904	1.0
198.06773	2.8
199.07500	7.2
201.05484	14.4
201.09102	6.9
202.06267	25.7
202.08151	1.5
203.07042	6.0
203.10684	12.0
211.07530	1.3
212.04718	8.1
212.08252	0.8
213.05640	4.9
213.09108	25.4
215.07057	3.1
217.08638	5.8
223.07567	0.9
229.05029	4.1
229.08624	1.5
230.05748	100.0
231.06479	2.4
231.10153	31.7
241.08626	5.8
259.09671	77.4
259.24313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05503	0.9
56.05033	1.1
56.96564	2.3
57.03423	1.9
57.85327	0.4
58.06609	0.8
59.04986	0.5
61.02904	1.4
65.03930	0.7
67.04237	1.9
67.05508	0.7
68.05032	0.4
69.03440	4.8
69.07062	0.7
70.06599	3.5
71.01357	0.6
71.04976	1.0
72.08161	1.1
73.01140	0.5
73.02913	1.3
73.06519	0.4
74.00675	6.2
74.02453	0.6
79.05511	0.7
81.03436	2.2
81.04550	0.5
81.07051	0.6
82.06572	1.9
82.99870	0.5
83.04958	0.5
84.04510	3.3
84.08153	16.9
85.02924	4.5
85.04825	0.5
85.08489	2.3
86.06052	0.8
86.09698	1.5
87.04463	1.9
88.03990	0.5
91.05492	0.8
93.07052	0.6
95.05000	0.5
97.02296	0.6
97.02903	10.0
98.03254	0.4
98.97598	3.3
99.04494	0.7
100.02212	90.9
100.07599	2.9
100.10676	0.4
101.00898	1.6
102.05534	0.6
103.02428	0.6
103.03950	0.5
105.07047	0.6
107.04943	0.7
108.04487	0.7
109.02880	0.9
109.06556	0.4
110.68668	0.5
110.97572	1.0
111.04435	0.7
111.05585	1.0
112.05109	0.5
112.07580	0.6
114.05516	2.1
115.02497	0.5
115.03934	1.6
116.07086	1.6
116.98629	1.4
117.07019	0.5
118.03271	4.7
119.01933	2.7
119.04935	0.5
120.01258	0.5
121.01630	0.6
121.02866	0.5
123.11327	0.4
125.07158	0.5
127.03922	1.4
127.05015	0.4
127.07005	0.4
128.02341	0.4
128.07094	1.0
128.98589	0.5
129.10216	3.5
130.06520	0.5
130.08636	1.9
130.10594	2.7
131.00240	0.4
131.01915	1.2
131.05296	0.5
133.03459	1.2
133.04970	0.9
137.06001	1.1
138.05528	0.5
138.09230	0.4
139.03891	0.5
142.08595	0.8
143.00180	1.0
143.01903	1.5
144.02113	0.5
146.02721	100.0
147.04430	0.7
149.04907	0.5
155.54840	1.1
156.97435	0.5
157.03488	0.8
157.06158	0.8
158.03630	0.5
158.99683	1.6
161.02983	1.3
161.55676	0.6
163.02783	0.7
165.05475	0.5
169.05231	0.7
170.02774	0.6
171.36169	0.4
172.05083	0.5
174.02969	0.5
175.04550	0.5
177.00760	1.0
178.05002	1.2
187.07550	1.7
189.02502	1.0
193.02052	0.5
196.04340	0.7
197.13980	0.6
198.02225	0.6
199.04497	0.5
200.56056	0.5
201.06079	0.7
213.06956	26.4
217.00107	0.8
217.02077	1.1
217.05571	1.3
219.55391	0.8
224.95790	0.5
231.03185	1.2
235.01257	0.8
249.56387	0.5
254.07710	0.6
259.07581	37.3
259.13171	3.6
259.16519	2.2
277.03973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01873	4.3
55.05515	41.4
57.05067	0.6
60.04531	9.7
69.07072	12.4
70.02956	6.4
70.86625	1.7
76.45373	0.6
77.45227	0.7
79.05493	1.0
81.07050	0.7
83.08624	45.6
88.03997	53.3
93.07072	0.7
95.08590	1.0
97.06544	4.6
102.05548	96.8
111.08098	5.2
121.02869	1.4
129.09204	0.9
130.04968	3.5
138.09140	1.7
148.06055	100.0
158.06824	1.8
163.03928	1.9
168.64737	0.7
173.02419	1.4
180.10214	13.9
185.05696	0.9
186.06342	2.6
198.11270	5.2
212.12849	9.3
215.07047	2.4
219.57547	0.8
226.10704	1.3
240.12321	3.1
243.45441	0.7
258.04834	4.9
258.13379	75.3
259.09882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01871	0.8
55.05513	0.8
56.05046	2.0
56.30902	0.3
56.96568	1.7
57.03437	1.9
57.07076	0.3
58.99884	0.3
61.02927	2.0
63.60875	0.3
67.05503	0.5
69.03436	4.7
69.07042	0.4
70.03786	0.4
70.06592	1.2
70.18941	0.8
70.98113	0.6
71.05001	0.7
72.08152	0.9
73.02929	1.6
73.06580	0.3
73.32469	0.3
81.03417	1.8
81.07043	0.3
82.06577	1.1
82.99855	0.5
83.06107	0.8
84.04509	20.7
84.08146	78.1
84.96031	0.3
85.02912	6.0
85.08464	0.3
86.03236	0.4
86.09718	0.6
87.04479	1.5
89.00868	0.4
91.03959	0.4
91.05447	0.4
95.04986	0.6
95.06105	0.7
97.02896	4.4
97.06541	0.3
98.20824	0.3
98.97587	3.3
99.04440	0.7
100.02232	1.1
100.07621	0.8
101.00883	3.0
101.10783	2.3
102.05499	0.3
103.00655	0.4
103.02485	0.4
104.42115	0.3
107.04959	1.7
107.12447	0.3
108.04502	0.7
109.02869	1.1
110.07169	2.8
110.97582	0.9
111.09234	1.0
112.05100	3.5
112.08709	0.3
113.00879	0.8
115.00695	0.6
115.02445	1.0
115.03940	0.8
116.07053	0.6
116.98633	1.1
118.01103	0.4
119.01930	3.6
119.03757	0.6
119.04913	0.4
121.01694	0.9
121.02893	0.9
122.06056	0.3
125.07147	0.5
126.05824	0.4
126.06663	2.5
126.07511	0.5
127.02426	0.9
127.03922	1.7
128.02353	0.6
128.98610	0.6
129.10246	100.0
130.05014	4.3
130.08624	0.4
131.01874	1.5
132.03455	0.4
133.03476	0.9
135.03334	0.3
137.05962	0.3
139.04129	0.3
143.01918	2.5
143.05582	0.5
143.23557	0.3
145.01718	0.7
145.03476	3.6
145.05002	0.7
146.02716	1.3
147.03229	0.9
147.04263	0.4
148.02051	0.6
148.05727	0.3
149.10657	0.5
155.01924	1.4
155.04643	2.1
157.03563	1.7
158.99672	0.7
159.03111	0.4
159.05042	0.6
160.06485	0.6
160.56699	0.7
161.02965	1.7
161.05624	1.7
161.55554	0.5
162.03136	0.3
163.02715	0.7
163.04558	0.6
164.05225	0.4
167.01900	0.6
170.05115	1.5
170.55389	0.4
171.03210	0.8
173.01300	0.5
173.02979	1.0
175.00929	0.5
175.02568	0.4
175.04498	0.8
177.00716	0.4
177.02254	0.3
177.04295	0.8
177.05905	0.5
185.03024	1.1
186.04390	0.3
186.06252	0.4
188.07651	0.3
189.02571	0.6
189.04184	0.7
191.02206	0.5
191.03995	0.4
192.04648	0.4
194.12961	0.4
195.05057	0.3
195.11249	2.9
198.02583	0.3
199.04520	0.5
200.06122	0.5
203.04018	1.1
203.07608	0.4
207.05264	0.5
212.04137	0.4
212.14012	2.3
216.07262	0.4
217.05534	0.3
219.05290	0.7
221.05069	1.0
223.05110	0.5
232.03574	0.4
233.03148	0.4
233.05128	0.4
235.02994	0.4
235.06667	2.4
237.06210	0.3
240.13521	2.8
241.09171	0.6
241.11900	1.2
249.05963	0.5
251.04204	0.5
253.07825	1.7
258.05588	0.8
258.08521	2.6
258.11505	1.1
258.14517	10.2
259.07147	0.4
276.09573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
50.25412	0.4
53.03944	1.0
55.05508	1.3
57.03448	0.9
57.07077	0.7
60.90086	0.4
65.03933	0.7
67.05500	1.9
68.99806	2.1
69.07072	1.6
79.05504	1.4
81.03417	5.6
81.07059	2.0
83.08620	0.5
85.02885	0.4
85.06599	0.5
91.05487	6.9
93.07048	1.6
95.04994	2.0
95.08629	1.8
96.02086	0.9
97.06554	1.0
97.10190	0.6
105.07043	1.8
107.04963	1.7
107.08601	0.9
109.02856	0.8
109.10141	1.7
111.04465	1.0
117.03419	2.8
117.07050	0.7
119.04958	14.3
119.08582	1.8
121.02847	0.9
121.10162	1.6
123.04459	4.0
123.08076	0.4
123.11727	0.8
127.03938	0.9
129.06964	0.6
131.08601	2.0
134.05951	0.5
135.04402	0.6
135.07957	0.5
137.02345	96.9
141.06992	0.8
143.08612	1.4
145.10133	1.9
147.04419	36.3
147.11725	0.7
152.07101	0.5
153.07076	0.5
155.03381	1.4
155.08493	1.1
157.10130	1.0
159.08023	0.6
159.11734	1.1
161.06006	0.7
161.13232	0.6
163.03896	2.7
165.07028	2.2
167.08580	0.7
169.06500	1.0
169.10124	0.7
171.08072	0.8
171.11685	1.2
173.05978	0.7
173.13315	0.7
183.08113	1.1
183.11742	0.7
185.05974	0.8
185.13313	0.6
187.07591	1.9
187.11058	0.5
191.08081	1.6
191.58339	0.7
197.06046	0.8
198.06781	0.6
199.14850	0.9
200.08589	1.5
201.09102	1.0
211.07556	6.0
211.14944	0.5
213.16306	0.6
214.06390	0.6
215.06900	0.9
224.07877	0.6
227.07172	0.6
229.08572	1.1
236.07846	0.8
239.07057	5.1
239.18060	1.2
242.05821	2.1
257.04669	4.5
257.08099	100.0
257.19086	4.3
257.22696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40409	2.1
55.05511	8.8
57.03436	4.0
57.07077	4.9
60.08177	16.5
61.08486	2.6
63.07855	1.9
67.05186	3.3
67.05514	32.6
69.07075	16.5
71.04989	6.5
79.05504	20.3
79.89980	2.0
81.07072	65.1
83.04987	5.7
83.08617	6.6
85.06554	4.0
91.05495	43.9
93.07059	27.2
95.04990	6.3
95.08640	18.8
97.06534	11.3
99.08108	5.7
105.07055	45.0
107.04943	3.0
107.08622	13.3
107.09214	2.5
109.06528	13.2
109.10191	5.4
111.04442	4.3
111.08127	3.5
117.07032	5.4
119.08596	34.2
121.10165	17.5
123.08109	4.8
123.11737	16.0
129.07004	7.2
131.08620	18.0
133.10159	17.3
137.13298	3.0
141.06950	2.5
142.07785	3.9
143.08600	6.2
145.10136	12.5
147.11711	97.2
149.09662	4.5
151.11177	4.9
157.10156	26.3
159.11708	6.6
165.12773	52.4
169.10138	2.9
171.11714	3.0
173.13318	5.2
175.11211	39.9
183.11723	2.6
185.13177	2.8
187.11334	2.4
193.12277	81.1
197.13483	3.9
197.15428	11.5
199.14914	4.0
211.13319	5.6
213.16426	2.7
225.14951	11.5
239.18102	4.6
256.30090	4.9
257.19135	25.6
257.26846	6.8
257.30392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03945	0.9
55.05527	4.6
55.24375	0.7
56.84654	0.7
57.03437	0.9
57.07083	1.4
67.05515	5.8
67.94618	0.7
68.08950	0.9
69.07070	4.4
70.34253	2.1
71.05009	4.5
71.49948	0.7
76.34669	0.9
79.05494	7.3
81.07079	3.9
83.05002	2.0
83.08611	2.2
85.06557	3.8
88.07627	1.2
91.05478	8.7
93.07044	17.0
95.04964	3.8
95.08613	11.1
97.06503	1.1
99.08086	1.3
103.05450	1.5
105.07041	21.3
107.08605	14.1
109.06525	6.6
109.10178	9.9
111.08099	2.3
115.05436	1.7
117.07014	4.4
119.08588	20.4
121.10152	72.1
123.08089	4.4
123.11725	2.6
128.06239	2.4
129.06966	3.9
131.08575	11.9
133.07640	1.9
133.10152	11.0
135.08064	20.3
135.11688	3.5
137.09627	6.3
142.07774	4.5
143.08574	12.9
144.09338	1.3
145.10146	15.0
147.08087	1.3
147.11662	3.7
149.09625	4.0
151.11284	0.9
155.08585	3.2
156.09346	2.4
157.10143	19.7
158.10942	3.1
159.08093	1.5
159.11702	15.7
161.09598	2.1
161.13257	1.4
163.11201	4.4
167.08527	1.2
168.09370	1.8
169.10127	6.8
170.10913	1.1
171.11729	9.6
173.09616	1.7
173.13283	21.8
174.14050	2.2
175.11179	3.5
175.14813	1.7
177.12776	1.4
182.10985	0.8
183.11739	9.8
184.12462	2.6
185.13278	1.9
187.11192	4.6
187.14861	3.2
189.12788	1.8
195.11674	1.4
197.13231	7.0
198.13988	1.1
199.14836	31.4
201.12762	7.8
209.13307	1.8
210.14001	0.9
213.16399	10.9
214.17206	2.4
215.14398	2.2
215.17908	6.7
224.15614	1.2
239.17972	12.5
257.04565	1.1
257.19034	100.0
257.26465	4.8
258.27908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45696	1.7
55.01861	2.5
55.05525	3.1
56.96577	12.3
57.03444	9.0
58.99873	4.0
61.02942	12.0
67.06979	2.1
68.98303	4.9
69.03442	19.1
70.06600	19.9
70.32309	7.0
70.98117	6.9
70.99868	7.9
72.08175	3.1
73.02922	8.7
77.00917	5.8
81.03426	8.9
82.06595	4.4
82.99854	12.9
83.06116	2.6
84.08151	11.8
84.96033	2.6
85.02925	18.6
85.06538	3.8
86.09721	4.3
86.99389	3.3
87.04488	7.1
89.00894	2.6
95.06104	4.9
96.04503	10.7
97.01433	6.1
97.02901	18.1
98.03223	3.0
98.21494	2.8
98.97610	19.8
99.04504	2.8
100.02528	3.7
100.07629	7.4
101.00904	76.1
102.00988	3.6
102.94056	2.2
103.00620	3.2
103.02479	2.6
105.00378	3.6
107.04956	4.1
109.02880	2.6
110.07188	18.9
110.97589	5.3
111.00327	2.2
112.05114	62.0
113.00899	16.0
115.02467	18.0
115.03967	6.2
115.08670	5.1
116.07121	33.1
116.98643	6.6
117.02206	4.7
118.01107	2.6
119.01948	60.6
119.03706	3.1
120.02012	3.1
121.01648	3.7
125.00851	3.2
126.00835	2.6
126.06659	68.7
127.02444	34.9
127.03887	3.9
128.98616	5.1
129.00336	4.0
129.03966	2.7
129.10287	3.8
131.01929	20.4
133.03473	10.6
137.00870	8.3
137.02950	3.1
138.02635	2.3
139.02507	10.7
142.03513	3.1
142.08650	4.3
143.01938	24.0
143.08191	4.5
145.03488	100.0
146.99722	3.1
147.01396	5.0
147.03302	2.6
148.02046	5.1
148.03864	4.4
154.03615	2.5
155.01912	43.6
156.02780	2.9
157.03566	41.0
159.03329	3.5
159.05049	7.6
161.03033	21.7
161.05681	11.9
162.03102	4.2
163.04561	7.7
167.01912	8.9
168.05130	2.4
169.03542	8.1
169.95139	2.1
171.03217	2.4
171.05196	3.0
173.03011	21.1
173.95193	2.1
175.00888	5.8
175.04503	10.3
175.55479	2.5
177.02502	3.9
183.04184	3.2
185.02980	35.0
187.04529	3.7
189.00780	3.5
189.02400	5.4
189.04160	2.8
191.02200	2.9
192.04704	12.5
198.02644	4.9
198.06253	2.6
199.04662	2.3
203.04036	22.4
205.00269	2.7
212.02638	9.0
212.04637	2.2
212.13943	15.3
213.03687	2.9
217.02025	5.7
217.05699	4.9
221.05150	19.7
222.09949	2.3
226.02075	5.2
226.05684	6.4
235.01346	2.4
235.06679	86.4
237.02744	2.5
242.03619	2.8
244.06778	10.8
251.04279	2.7
253.02312	6.1
253.07742	50.9
258.02844	6.2
258.05511	4.2
258.08286	26.9
258.14542	34.2
276.03494	2.3
276.09341	7.2
277.00766	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.62049	1.0
55.05517	9.7
57.03445	1.8
57.07073	2.8
65.03944	1.5
67.05513	32.3
69.07074	8.2
69.83083	5.4
71.04997	3.8
71.08614	1.0
75.19569	1.2
79.05504	7.2
81.07066	23.9
83.05000	1.5
83.08617	3.0
85.06559	2.7
91.05495	21.5
93.07054	5.7
95.08615	7.4
97.06528	1.9
97.10173	2.1
98.20838	1.8
103.05489	1.0
105.07046	13.1
107.08597	3.2
109.10168	7.6
115.05472	5.7
116.06239	4.2
117.07032	58.9
119.08602	5.7
121.10159	3.5
125.09635	1.6
128.06195	9.1
129.07021	42.8
130.07788	4.4
131.08583	100.0
133.06488	1.2
133.10155	10.1
137.09592	1.1
141.06999	21.2
142.07814	6.1
143.08571	28.5
144.09259	1.2
145.06555	2.1
145.10141	94.8
147.08102	1.9
147.11699	3.0
149.09647	1.7
154.07794	4.5
155.08586	21.2
156.09325	2.3
157.10152	27.8
159.08054	3.9
159.11713	57.1
161.09651	1.8
167.08566	1.3
168.09421	2.6
169.10147	22.3
171.11705	49.4
173.09637	2.1
173.13281	28.3
173.14719	2.0
175.11237	2.9
181.10165	1.6
182.10912	1.5
183.11722	40.4
185.13338	7.9
187.11220	1.7
187.14880	2.3
189.12839	1.4
196.12537	3.2
197.13287	30.1
199.14891	1.9
210.13976	1.1
211.14845	5.4
213.16425	1.6
222.46982	1.2
229.19659	1.3
239.17972	65.5
257.04263	6.3
257.19046	66.9
257.26697	5.5
257.30212	1.3
258.28018	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77783	0.3
53.03958	0.5
53.51977	0.3
53.91372	0.3
55.01886	1.7
55.05517	0.4
56.96584	1.4
57.03452	3.7
58.99882	0.4
59.05015	0.5
61.02947	2.4
62.39466	0.3
64.03661	0.3
67.05515	0.5
68.98309	0.3
69.03442	4.0
69.07069	0.6
69.59045	1.5
70.06603	1.6
70.98183	0.3
71.01366	1.5
71.05006	0.7
73.02934	5.3
78.03465	0.9
79.05533	0.4
80.05035	2.1
81.03429	0.9
82.06600	1.3
82.99872	0.4
83.05018	0.5
84.08151	1.0
84.96046	0.3
85.02917	6.3
86.09727	3.0
87.00901	0.4
87.04482	1.3
93.07087	0.5
95.04964	0.3
96.04536	0.8
97.02904	3.1
97.06587	0.4
98.06091	0.4
98.97620	1.5
98.98462	0.9
99.04477	0.7
100.02493	0.4
100.07639	3.2
101.00914	2.5
103.00689	0.3
106.02933	5.5
109.02904	0.7
110.07233	0.5
110.97560	0.4
112.99196	0.3
113.00889	0.8
115.02444	1.0
115.03961	2.0
116.07108	0.8
116.98671	0.6
117.04086	0.4
119.01950	4.2
120.02120	0.3
121.01689	0.5
123.05577	100.0
124.04004	0.4
126.09156	0.4
127.02452	0.6
127.03964	1.2
130.08673	0.5
131.01917	1.1
133.03470	0.7
133.04990	2.2
136.06236	0.4
136.07639	0.5
137.00764	0.3
143.01912	1.6
144.99828	0.4
145.03490	2.3
145.04958	0.8
146.08162	3.2
150.05531	1.1
155.01923	0.9
156.97540	0.7
157.03528	0.7
160.03233	0.4
161.03000	1.3
165.04105	0.4
167.01988	0.3
170.99025	0.6
171.01427	0.4
171.05118	0.5
173.03015	0.9
177.00879	0.3
177.02499	0.6
177.10262	0.4
183.05072	0.4
185.02997	1.2
186.09789	2.5
187.02803	1.2
187.04541	0.6
189.00159	0.3
189.04053	0.7
190.98672	0.4
192.05798	0.4
197.06578	0.5
203.04080	0.7
204.10869	0.6
214.03944	0.6
214.05894	0.4
214.09300	3.6
215.04126	0.4
220.05353	0.7
221.04944	0.5
223.06654	0.9
227.04057	0.4
228.07286	0.5
231.01315	0.4
232.06989	0.6
232.10371	6.1
237.06616	0.4
243.05556	0.7
243.55432	0.4
245.05200	1.7
255.06453	1.1
255.10652	1.1
255.13506	2.0
255.17049	0.5
256.03082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
55.01858	3.9
55.05521	28.2
57.03447	52.3
57.07059	7.0
65.03941	2.2
67.05513	73.2
69.03412	6.3
69.07075	23.2
69.73705	9.1
71.01347	5.2
71.05006	9.1
77.31423	1.6
79.05505	76.0
81.03423	15.6
81.07072	42.6
83.04993	29.8
83.08595	7.2
85.02890	2.6
85.06554	7.7
91.04977	2.6
91.05489	29.1
93.07058	78.9
95.04946	6.1
95.08612	15.4
97.06551	26.3
97.10189	16.5
98.98487	21.2
99.04438	3.7
99.08089	3.0
100.07624	3.0
101.07967	1.6
105.07037	8.9
107.04922	3.8
107.08612	51.4
109.06519	2.5
109.10187	11.9
111.04405	7.3
111.08111	3.4
115.05501	1.5
117.07008	6.9
119.08580	12.8
121.06458	4.4
121.10165	13.6
125.09615	4.4
127.03901	5.2
129.06937	1.9
130.07777	1.8
131.08521	1.8
133.10110	6.6
135.08035	2.6
135.11711	100.0
137.09619	3.4
139.07533	1.8
143.08551	2.1
145.09224	1.8
145.10149	18.9
153.12798	2.1
157.06522	1.7
157.10089	1.5
163.11235	14.5
169.04829	2.1
181.12283	19.5
199.13287	2.1
227.06882	1.7
255.06458	5.3
255.15874	92.0
255.21100	3.8
255.25194	15.9
256.26459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03956	3.8
55.01858	3.9
55.05521	28.2
57.03447	52.3
57.07059	7.0
65.03941	2.2
67.05513	73.2
69.03412	6.3
69.07075	23.2
69.73705	9.1
71.01347	5.2
71.05006	9.1
77.31423	1.6
79.05505	76.0
81.03423	15.6
81.07072	42.6
83.04993	29.8
83.08595	7.2
85.02890	2.6
85.06554	7.7
91.04977	2.6
91.05489	29.1
93.07058	78.9
95.04946	6.1
95.08612	15.4
97.06551	26.3
97.10189	16.5
98.98487	21.2
99.04438	3.7
99.08089	3.0
100.07624	3.0
101.07967	1.6
105.07037	8.9
107.04922	3.8
107.08612	51.4
109.06519	2.5
109.10187	11.9
111.04405	7.3
111.08111	3.4
115.05501	1.5
117.07008	6.9
119.08580	12.8
121.06458	4.4
121.10165	13.6
125.09615	4.4
127.03901	5.2
129.06937	1.9
130.07777	1.8
131.08521	1.8
133.10110	6.6
135.08035	2.6
135.11711	100.0
137.09619	3.4
139.07533	1.8
143.08551	2.1
145.09224	1.8
145.10149	18.9
153.12798	2.1
157.06522	1.7
157.10089	1.5
163.11235	14.5
169.04829	2.1
181.12283	19.5
199.13287	2.1
227.06882	1.7
255.06458	5.3
255.15874	92.0
255.21100	3.8
255.25194	15.9
256.26459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1802
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03948	4.9
55.01871	8.0
55.05522	19.1
57.07088	6.1
59.04998	5.7
61.81335	1.9
66.79048	1.9
67.05516	53.6
69.03439	12.1
69.04880	2.4
69.06731	4.4
69.07081	51.8
71.05003	19.8
71.51776	2.7
71.81938	1.9
73.06577	5.0
75.26420	2.2
79.05506	32.9
81.07069	75.7
83.05006	18.0
83.08625	6.3
84.08141	2.5
85.06569	16.4
89.06047	2.8
91.05481	17.0
93.07061	29.0
95.04977	9.6
95.08619	34.0
97.02904	6.0
97.06547	50.5
97.10189	2.6
98.98483	87.5
99.08121	3.7
101.06054	3.2
102.05527	4.3
105.03402	31.3
105.07043	30.1
106.03748	44.2
107.04954	3.1
107.08612	44.5
109.02872	3.0
109.06540	15.9
109.10171	100.0
111.04432	2.9
111.08109	4.3
113.06027	10.9
115.07562	3.4
117.07040	3.8
119.08603	29.7
120.08124	3.9
121.02895	2.1
121.06561	3.2
121.10188	21.8
123.08085	12.8
123.11726	6.4
125.06007	7.8
125.09653	9.3
127.11206	26.6
131.08585	12.5
133.06503	3.5
133.10139	29.8
134.65533	2.3
135.08060	3.8
135.11711	8.3
137.05969	3.9
137.09644	18.7
139.11249	2.6
143.07031	6.4
143.08621	4.1
145.10155	12.2
147.08055	3.4
147.11705	25.1
149.09639	12.1
149.13289	9.5
151.11166	9.2
153.09084	3.0
155.10686	11.6
157.10135	9.6
159.11725	11.7
161.09650	8.7
161.13298	8.9
163.11217	7.8
165.07089	2.7
165.09190	3.1
165.12746	11.4
167.10684	13.0
171.11739	3.8
173.13269	4.8
175.11250	7.3
175.14833	8.3
176.98976	3.2
177.12831	5.1
179.10701	20.4
181.12439	3.0
187.14842	3.6
189.09030	2.4
189.16438	7.9
193.15904	4.7
197.11784	3.1
199.14867	4.9
205.15895	4.6
207.08478	6.7
207.17308	2.7
217.12276	2.8
217.15919	15.2
235.09877	3.0
235.13342	2.8
235.16962	25.6
253.04861	5.4
253.08675	7.9
253.14212	3.2
253.18010	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	254.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	6.9
71.01373	6.0
71.20496	1.7
75.04491	13.6
87.04462	3.9
89.02412	1.9
98.98450	1.9
100.08934	1.4
102.15489	1.2
103.03951	16.8
126.56902	1.1
131.03426	5.3
159.02924	46.3
187.02422	2.8
207.30867	1.2
219.05045	100.0
254.14040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91322	1.2
61.02937	5.9
69.50108	3.4
69.50522	5.3
71.01371	7.2
75.04497	13.0
80.03339	1.2
85.62135	1.2
87.04471	4.8
89.02393	2.1
89.25674	1.2
103.03963	18.4
131.03436	5.0
141.75012	1.3
159.02928	42.3
187.02412	4.1
219.05042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15353	8.4
55.84394	7.9
71.41528	9.6
82.06593	9.2
84.51202	8.7
85.02951	8.2
100.07654	22.7
104.10767	71.9
112.89622	28.7
116.10741	100.0
123.05566	43.0
146.08179	13.6
156.97520	15.5
164.69218	8.5
170.99107	26.6
189.00198	20.6
191.04904	7.9
213.00130	35.4
231.01180	19.8
254.97350	15.1
255.06351	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.45575	0.5
57.03448	3.8
61.02924	2.4
69.03431	2.7
70.14050	1.2
70.14401	0.9
71.01358	0.8
71.04962	0.6
73.02921	4.5
76.39761	0.5
77.00909	0.5
78.03451	0.8
79.38784	0.5
80.05021	1.9
81.03422	1.1
81.07069	0.5
82.06591	2.0
83.42188	0.5
85.02918	4.8
96.04491	0.6
97.02873	1.7
98.98459	2.4
100.02521	0.7
100.07615	5.1
101.00899	1.9
103.02499	0.6
104.10780	0.5
106.02925	5.2
109.02889	0.6
110.07173	1.2
115.02459	0.7
115.03941	1.7
116.10772	0.9
119.01942	2.3
123.05565	100.0
124.03960	4.9
126.98808	1.1
127.03931	0.8
131.01924	1.1
133.04988	2.1
143.01897	1.0
144.99861	4.1
145.03476	1.2
145.05000	0.6
146.08144	6.1
155.01936	1.0
156.07700	0.8
156.97482	0.9
161.02960	0.9
163.01010	0.5
167.01872	0.6
172.99323	1.5
173.03033	0.9
174.04558	0.5
174.98553	0.5
177.02435	1.4
182.99113	0.9
185.03000	2.2
197.02983	0.9
201.00020	0.8
205.02086	1.0
228.07260	0.6
233.01588	0.6
245.05095	2.9
255.06215	5.8
256.03070	0.9
266.72330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
51.52515	1.4
53.03943	3.8
55.01857	4.9
55.05513	11.7
57.03426	3.2
57.07058	5.2
59.04987	6.0
64.16711	1.3
67.05508	49.7
69.03416	4.7
69.07072	49.1
69.61635	6.9
71.05003	6.8
73.06544	5.5
79.05505	19.5
81.03412	1.5
81.07059	53.3
83.04994	11.2
83.08620	3.6
85.02909	2.1
85.06554	17.0
91.05499	8.4
93.07046	18.6
95.04955	5.4
95.08620	21.0
96.04489	5.4
97.05930	2.3
97.06538	42.9
98.20901	2.7
98.98472	37.1
101.05994	2.3
105.06399	2.5
105.07040	25.9
107.07880	2.1
107.08598	32.8
109.06507	12.0
109.10162	100.0
111.08065	4.8
113.06025	9.2
115.07561	4.2
117.07024	3.2
119.08589	24.0
120.08128	1.5
121.06476	2.8
121.08409	1.8
121.10133	12.7
123.08109	7.1
123.11707	3.8
124.03942	4.2
125.06005	6.7
125.09616	6.2
127.07552	2.6
131.08595	9.4
133.10130	22.1
135.08041	3.4
135.11685	6.8
136.06201	3.0
137.09639	17.1
139.11174	1.9
141.09151	1.6
142.07796	2.2
143.07111	7.1
143.08568	3.4
145.10153	8.6
147.11696	20.1
149.09599	6.9
149.13264	7.1
151.11136	6.1
153.09074	1.6
157.10101	5.6
159.11720	10.4
161.09615	6.4
161.13281	4.5
163.11168	4.9
165.09065	1.9
165.12762	10.0
167.10693	5.6
173.13258	5.2
175.05051	8.4
175.11162	4.5
175.14813	7.5
177.16272	1.6
179.10670	16.0
187.14790	2.6
189.12756	1.7
189.16400	4.8
193.06146	2.9
193.15820	3.1
199.14847	5.2
205.15904	6.0
207.07745	4.3
217.15820	11.2
223.16885	3.8
235.13382	2.1
235.16946	7.3
253.10509	2.2
253.14856	3.8
253.18001	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	255.0652
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
53.03950	0.2
55.01862	0.5
55.05502	0.3
57.03419	0.2
57.07077	0.2
57.62746	0.1
65.03931	0.5
67.05501	0.4
68.99450	0.2
68.99795	2.3
69.03424	0.4
69.03819	0.1
69.07062	0.6
69.49157	0.4
69.49565	0.6
71.05005	0.2
79.05490	0.4
81.03406	0.6
81.07047	0.7
83.04971	0.2
83.08636	0.2
85.06537	0.6
89.32097	0.2
91.05485	1.2
93.07028	0.5
95.01321	0.2
95.04936	0.2
95.08605	0.7
97.06512	0.6
98.20802	0.3
98.98490	1.2
105.07013	0.4
107.08584	0.8
109.02876	0.4
109.10164	0.4
111.04465	0.4
111.08096	0.2
119.04955	3.8
119.08588	0.2
121.02873	0.7
121.03954	0.2
121.06500	0.2
121.10129	0.2
125.05984	0.4
125.09640	0.3
127.03889	0.3
128.06197	0.3
131.05029	0.1
133.10123	0.2
133.25542	0.2
135.08102	0.2
135.11679	0.4
137.02347	8.0
137.93521	0.1
139.07535	0.5
141.06909	0.2
145.02858	4.9
145.10144	0.2
152.06177	0.4
153.07001	0.4
155.03383	1.7
157.06497	0.4
157.10153	0.2
159.11655	0.3
161.13132	0.1
165.07056	0.2
167.07016	0.2
169.06488	0.5
171.08028	0.4
174.09753	0.1
181.06534	0.5
191.14307	0.3
193.76137	0.2
199.07576	0.4
213.05560	0.2
219.13823	0.4
227.07016	1.0
227.10815	0.2
237.18552	0.3
240.07687	0.2
255.06531	100.0
256.06882	0.6
270.13361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01868	1.8
55.05518	11.1
56.96568	2.9
57.03437	4.1
59.05000	2.1
61.02940	8.8
61.74754	1.1
65.36031	1.3
67.05503	2.6
69.03089	1.5
69.03438	19.3
69.07084	1.8
69.83926	6.2
70.06597	3.4
71.04996	3.5
73.02922	4.0
73.06563	76.0
79.05486	2.2
81.03408	7.7
81.07066	3.0
82.06570	2.0
84.04506	11.0
84.08161	5.8
85.02914	100.0
85.06548	1.6
86.09706	1.9
87.04472	2.7
87.18328	1.2
89.06030	1.3
91.03975	5.8
91.07610	1.6
95.04981	1.6
97.02901	23.3
98.04095	1.2
98.21482	1.5
98.98478	94.6
99.04473	5.9
100.98933	1.2
103.03967	2.5
105.03317	1.3
106.06576	7.7
107.04955	2.4
109.02888	10.3
109.10139	2.4
110.07223	2.6
110.97506	1.2
120.08093	3.6
121.02872	3.4
121.06529	1.3
122.06065	1.4
122.40949	1.3
123.04482	1.9
124.03944	1.2
124.07603	17.5
125.04330	1.9
127.03928	19.0
130.04968	1.7
136.06213	1.5
140.15326	1.4
141.05493	1.7
145.04974	21.9
145.06046	2.2
151.11218	1.4
152.07063	2.0
163.06018	4.9
165.01796	2.8
166.04901	1.7
171.09207	2.9
174.99225	4.4
175.04320	2.8
176.99039	1.8
183.34634	1.2
185.02991	2.4
187.02740	1.5
192.06378	1.2
193.01378	2.0
194.09271	2.9
197.11729	2.9
207.02937	10.0
209.11093	4.5
219.26530	1.4
235.02448	5.4
235.10933	3.1
253.10135	19.6
253.12329	2.9
253.15729	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.00417	1.1
55.05504	2.8
55.90886	0.9
57.03423	1.2
57.07067	3.4
59.04986	1.9
65.03940	1.8
67.05185	1.4
67.05511	15.0
69.03420	2.2
69.07074	5.8
69.34455	1.2
70.10172	4.0
71.04992	11.9
71.08629	1.0
73.06554	2.0
79.05478	4.6
81.07056	12.4
83.04959	2.1
83.08620	2.9
85.06551	1.6
89.06049	1.7
91.05494	5.3
93.07050	8.7
95.04982	15.2
95.08614	10.4
97.06564	1.3
97.10178	1.4
98.98472	100.0
99.04434	1.2
99.08097	2.1
105.07050	9.9
107.08614	12.9
109.06556	2.9
109.10164	34.3
109.96273	1.2
110.61134	1.1
111.08074	2.1
116.99466	1.6
119.08581	13.3
121.06440	1.4
121.10155	9.3
123.04443	3.2
123.08083	1.2
123.11708	2.3
125.09636	9.8
129.07010	4.4
131.08551	3.7
133.10123	6.8
135.08081	2.3
135.11679	5.4
137.09602	1.7
141.06953	1.3
143.08524	1.5
145.10118	6.6
147.08051	2.9
147.11700	17.0
149.09683	1.6
149.13274	1.5
151.11192	1.1
153.12727	7.1
155.08553	1.7
157.10115	4.7
159.08044	4.2
159.11693	2.9
163.11249	1.4
165.06978	1.4
165.12839	3.5
167.10686	1.3
169.10153	1.4
173.09630	1.7
173.13307	1.1
173.49631	1.1
174.08818	1.1
174.99193	2.8
175.11192	1.9
175.14783	3.5
176.98885	2.4
183.11711	2.1
185.09604	6.1
189.16399	6.9
191.17955	3.2
193.12268	1.5
193.15919	4.3
197.09674	2.2
197.11652	2.3
197.13322	2.6
199.14992	1.7
207.17540	2.7
208.07515	1.3
211.11189	3.9
211.14864	1.1
217.15924	7.3
225.09142	1.9
225.16516	1.3
235.16937	13.4
238.08620	1.9
252.10158	2.4
253.05046	2.7
253.08493	5.5
253.11104	5.6
253.15852	19.1
253.17975	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02979	0.7
70.07423	0.6
71.02266	0.8
73.78545	0.4
79.05484	0.5
81.07080	0.6
84.52114	0.4
87.00825	2.4
88.03997	0.6
91.05474	1.9
93.07051	1.4
98.06886	0.4
98.98469	1.1
102.81498	0.4
103.05471	6.4
103.89147	0.4
107.82340	0.4
118.06552	9.4
120.08115	100.0
122.45531	0.4
128.04962	1.2
134.04539	0.4
136.06200	15.3
137.06029	0.4
146.06021	16.7
161.05855	0.5
164.07129	0.5
166.08652	2.2
170.41415	0.4
175.43819	0.4
188.07079	18.7
189.33522	0.4
192.06577	1.2
194.79684	0.5
196.16797	0.4
206.08141	70.0
234.07607	1.8
234.13528	1.9
235.12262	0.7
252.08676	1.1
252.12311	0.7
252.14607	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	252.0868
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
53.40074	0.4
65.03916	0.7
70.02963	3.5
70.83364	0.7
70.83704	0.9
71.22676	0.4
74.02446	24.1
81.07090	0.7
88.03998	46.0
91.05488	100.0
98.02451	0.5
99.00826	0.7
116.03467	17.7
116.04290	0.9
120.08135	1.2
134.04498	70.3
134.37172	0.5
136.06194	19.1
136.07507	1.5
146.06056	1.0
206.08144	3.7
217.19896	0.5
218.13663	0.5
234.07587	6.4
234.13588	2.9
252.08774	3.3
252.14565	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03714	0.2
53.03949	3.7
55.01866	0.4
59.04994	0.8
60.04525	1.1
69.03430	0.3
69.07063	0.2
70.02956	1.0
71.04977	0.2
71.51462	0.3
77.03920	1.4
81.03422	0.5
81.07055	0.2
85.02910	0.3
86.94254	0.2
87.04480	0.5
88.03991	2.3
91.05476	0.7
93.07040	0.7
95.04973	4.1
96.45956	0.2
97.02888	0.6
97.06536	0.6
98.06873	0.3
98.97567	1.4
98.98466	0.9
102.05548	6.8
103.05436	0.4
105.03397	100.0
106.03755	0.3
107.08578	0.3
113.02371	0.2
115.03939	0.2
120.08115	7.4
130.05009	2.7
137.06000	0.3
138.06346	0.5
148.06203	0.2
152.77065	0.2
158.99687	0.6
163.24611	0.2
166.08659	1.9
176.03416	0.9
185.03891	1.4
192.06584	2.7
206.08131	8.2
206.11874	0.7
220.06050	1.8
234.07649	2.7
235.12288	1.0
249.48549	0.2
252.08661	1.9
252.12474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11989	0.3
53.03938	0.7
55.05509	0.6
57.07074	0.5
65.03928	0.3
66.15242	0.3
66.79016	0.3
67.05497	1.4
69.03427	0.5
69.07052	0.7
71.01337	0.7
71.05001	2.8
71.25325	0.7
79.05489	1.0
81.03423	1.2
81.07058	1.6
83.04961	0.4
85.06531	0.5
91.05502	0.8
93.07047	0.6
93.72981	0.4
95.04975	0.7
95.08614	0.9
97.02889	1.1
97.06528	0.3
97.10204	0.3
98.98471	19.8
99.04460	11.3
105.07047	0.6
107.08586	0.4
109.02888	1.0
109.06528	4.6
109.10162	0.5
111.04451	5.4
113.06011	0.4
116.99477	0.4
121.10128	0.6
123.04408	0.5
123.08109	0.5
127.03922	100.0
132.13678	0.3
133.06500	0.5
133.10179	0.4
135.04427	14.2
135.08034	0.4
137.05977	4.5
139.03906	0.6
141.05458	0.4
151.07524	0.8
153.05479	1.1
161.05995	0.7
165.05472	3.1
167.03383	0.7
169.10114	0.4
174.99260	0.4
176.98947	0.4
179.07057	0.6
180.91197	0.3
183.06526	0.4
191.07019	0.6
207.06517	4.4
209.08163	0.9
210.52711	0.3
235.06029	0.4
253.07033	4.6
253.11099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01862	2.9
55.05515	12.2
56.96548	4.1
57.03440	6.0
57.07064	2.2
60.04518	2.2
61.02937	7.7
67.05475	1.8
68.36884	0.9
69.03094	1.2
69.03439	20.2
69.07072	1.5
69.57731	2.0
69.58143	3.9
70.06585	2.6
71.04989	2.0
72.08141	1.7
73.02917	3.8
73.06561	60.4
81.03433	6.9
81.07067	2.4
84.04491	1.1
84.08147	5.0
85.02912	100.0
85.06545	1.5
86.09702	2.4
87.04466	3.1
89.06002	1.2
91.03976	4.8
91.05477	2.1
93.07034	2.9
95.04917	1.2
95.08640	1.0
97.02291	1.7
97.02898	23.7
98.97607	3.8
98.98476	63.3
99.04468	5.3
101.00883	1.3
102.02269	1.2
103.03948	1.5
103.05476	6.4
106.05039	1.7
107.04943	1.3
109.02894	9.6
110.07158	3.6
112.07618	6.8
115.03955	1.4
116.90965	0.9
116.98584	1.8
116.99531	1.4
118.06518	1.0
119.01846	2.2
120.08116	92.5
120.21329	1.0
121.02880	3.8
122.76851	1.0
123.04427	2.1
124.07585	1.1
127.03920	18.9
127.12989	0.9
128.98582	1.7
129.10237	2.2
130.08662	2.4
134.06058	1.7
136.07628	1.9
137.05934	2.1
138.05406	1.0
143.01912	1.1
145.03787	1.1
145.04979	20.9
146.47205	0.9
146.99606	1.3
150.05460	2.6
152.07042	3.2
155.01942	1.2
156.83435	1.0
156.97356	1.1
158.06630	4.4
163.05994	4.4
166.08578	1.5
167.01907	3.1
174.99170	2.2
176.98926	1.9
181.03540	1.3
185.02979	13.4
188.07710	2.6
193.01463	1.1
194.09225	5.7
197.11668	1.8
198.00760	1.9
203.03995	3.5
207.03041	2.1
207.11330	1.3
212.07680	12.9
227.04047	1.1
230.08675	8.0
235.02412	1.3
235.10559	4.7
253.07846	1.4
253.11923	6.1
253.15565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77798	0.6
55.01878	1.0
56.96563	1.2
57.03425	1.6
58.99849	1.9
61.02933	3.9
68.98312	0.7
69.03442	3.2
70.99860	3.1
71.50792	0.9
71.58775	0.6
72.08147	0.6
73.01424	0.8
73.02892	1.5
77.00910	0.8
81.03416	2.0
82.01450	29.6
82.06573	1.0
84.04492	0.8
84.08154	1.3
85.01396	1.2
85.02906	5.1
86.03685	0.7
86.99394	0.7
87.04461	0.9
88.02699	0.7
89.00893	2.0
91.02441	2.2
97.02901	3.2
98.97556	1.3
98.98476	14.0
99.04430	1.3
100.02487	38.3
100.07603	0.7
101.00905	3.2
102.00960	0.7
103.00625	2.3
104.04555	1.3
107.04944	0.8
108.97770	1.2
109.02905	0.7
110.07136	1.0
113.77135	0.6
115.02428	1.0
118.03529	8.1
119.01948	3.2
121.01664	2.9
123.72307	0.6
126.98782	12.7
127.03928	2.7
131.01898	1.4
131.05315	0.5
133.03459	1.5
136.97188	0.9
143.01900	1.2
144.99837	18.4
145.01627	1.1
145.05017	1.1
146.04941	0.7
146.99597	0.7
147.01382	1.1
150.00337	2.9
150.01611	0.7
153.55887	0.9
154.05734	0.7
154.98244	7.4
155.01944	0.7
155.05577	0.8
159.01360	1.8
161.02931	1.8
161.05511	2.8
163.00903	0.9
163.02716	1.5
163.05376	1.1
167.00259	0.7
167.01759	0.9
168.01424	14.6
168.99716	0.8
170.06061	1.6
172.99336	39.2
174.99397	0.8
175.00880	1.0
176.93507	1.0
177.02454	5.7
177.05670	1.1
177.99829	5.6
184.04585	1.0
185.02960	6.3
186.03087	2.6
186.95149	0.7
187.00879	6.5
191.00391	12.2
191.02089	1.4
191.03864	0.9
196.00928	100.0
197.01096	1.1
200.04079	0.6
205.01991	5.9
205.03647	1.5
210.02518	6.3
214.01981	29.3
219.02464	2.5
219.07060	0.9
223.02853	1.1
227.03970	1.2
228.03543	48.0
229.03625	1.1
235.06358	0.8
246.04585	5.1
251.04552	2.8
251.07381	0.6
251.11237	1.5
251.16086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03935	1.8
55.01867	2.3
55.05520	8.0
56.41317	1.3
57.07077	6.1
59.04984	4.7
64.41002	1.3
67.05513	12.3
69.03431	11.4
69.07068	7.6
69.40375	10.0
70.81896	1.3
71.01342	2.3
71.04999	40.4
79.05509	8.1
81.03416	3.0
81.07063	18.3
83.04996	10.5
83.08630	8.7
85.02905	2.5
85.06550	9.7
91.05482	15.9
93.06577	1.3
93.07059	17.8
95.04962	13.1
95.08615	16.1
97.06536	16.3
98.21596	1.7
98.98476	100.0
99.04461	1.9
103.05494	1.3
105.07040	17.1
107.04950	4.1
107.08611	21.9
109.06539	6.4
109.09599	1.3
109.10178	12.9
111.04438	2.0
111.08098	8.0
113.06026	7.4
114.81560	1.3
115.05487	1.5
115.07604	1.1
116.99475	1.6
117.07014	5.6
119.08585	26.8
121.06483	4.0
121.10156	25.8
122.07278	1.8
123.08063	8.2
123.11710	4.9
125.05994	15.2
125.09638	3.3
129.06987	3.1
130.07785	1.9
131.08591	11.7
133.06419	1.5
133.10152	12.3
135.08072	7.3
135.11705	8.3
137.05981	2.4
137.09630	36.7
139.07555	1.9
142.07800	1.8
143.08501	2.2
145.06549	1.2
145.09079	1.7
145.10153	20.9
147.08055	48.0
147.11685	14.1
149.09645	10.5
149.13249	3.0
151.07523	4.4
151.11179	3.3
151.14854	2.1
153.09105	2.8
155.10681	4.1
157.10083	5.0
159.11671	4.3
161.05928	1.4
161.09641	2.3
161.13202	1.4
163.11201	40.6
163.14821	2.6
164.57712	1.5
165.09109	2.2
173.09599	3.8
173.13246	8.6
174.99207	7.1
175.11208	10.7
177.05428	2.1
177.09152	2.7
179.14317	14.5
181.12250	9.5
187.11212	1.8
187.14812	6.3
189.12750	2.2
189.16408	1.5
191.10695	1.8
191.14313	9.6
193.08676	1.5
193.12227	4.2
195.10144	2.1
205.15913	6.1
207.13802	5.3
208.03479	1.3
215.10622	1.9
215.14293	10.2
223.77480	1.4
233.08188	1.5
233.11792	2.8
233.15388	48.7
251.16431	69.0
251.20047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19034	0.5
51.73703	0.4
52.25536	0.4
53.72159	0.4
64.28498	0.5
65.03947	1.0
69.55273	2.9
70.02955	3.4
74.02447	24.1
88.03436	0.8
88.03999	45.6
91.05489	100.0
98.02396	0.6
98.21294	1.3
98.98495	1.1
99.00845	0.7
111.15479	0.4
116.03467	14.7
120.08102	0.5
134.04503	68.6
136.06183	3.6
136.07600	1.2
206.08115	2.7
234.07642	6.2
234.13589	0.8
252.08759	3.5
252.12363	0.5
252.14589	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	250.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01875	9.1
55.05516	5.1
56.05042	6.4
56.96576	22.0
57.03206	2.1
57.03454	29.9
57.07072	2.5
58.99581	2.1
58.99880	4.6
59.05006	4.8
60.04529	3.3
61.02650	3.9
61.02940	54.8
67.05509	6.1
68.04663	2.2
69.03444	62.9
69.07071	8.5
70.03770	2.7
70.06603	15.1
70.12603	2.3
70.98121	3.8
70.99845	3.5
71.01337	5.1
71.05017	14.0
71.50640	4.1
72.08165	5.3
73.02933	25.7
73.06541	2.7
74.06106	5.1
77.00902	3.7
79.05502	3.9
81.03434	33.3
81.07059	3.3
82.01446	3.3
82.06581	6.6
82.99866	6.3
83.04997	3.9
84.04518	27.8
84.08157	17.5
85.02922	100.0
86.03709	5.6
86.06097	5.8
86.09713	14.1
87.04488	21.6
88.04021	2.4
91.02461	3.1
91.03951	7.6
91.05489	8.8
95.04964	5.0
95.06065	2.6
97.02911	87.7
97.06536	6.7
98.03258	4.2
98.97602	25.5
98.98496	13.0
99.02969	2.3
99.04462	12.3
100.02540	7.0
100.05238	3.0
100.07615	6.8
101.00911	24.4
101.02414	3.4
102.00948	14.3
102.02401	4.2
102.04228	4.6
102.05595	2.9
103.00639	4.9
105.07002	3.2
107.04958	6.8
108.04377	5.1
109.02902	21.8
109.04984	10.6
110.02127	2.5
110.03245	2.7
110.03959	2.8
110.06021	2.6
110.07182	27.8
110.97585	7.4
111.02929	2.8
111.04424	3.1
112.02141	3.7
112.07603	2.4
113.00874	8.3
113.06006	2.3
114.00904	3.4
115.02441	7.0
115.03205	3.3
115.03961	7.8
116.05730	2.8
116.07118	2.7
116.98647	12.9
117.01896	7.2
117.04050	2.8
117.04788	4.1
118.03511	2.7
119.01940	37.1
119.03545	2.9
119.04948	5.5
120.02034	31.0
121.01624	5.6
121.02897	9.2
121.06520	2.7
123.02926	2.8
123.04520	4.9
124.01823	3.7
126.02612	5.4
127.02433	4.6
127.03960	29.0
128.02367	2.5
128.98576	3.7
131.01909	16.6
131.03581	3.0
132.01970	4.4
133.02539	2.7
133.03467	9.1
133.04990	6.3
134.03600	3.5
134.99751	3.2
135.04672	2.5
136.06216	55.8
137.02924	3.7
137.05977	7.0
138.03122	4.0
139.02394	4.3
140.07095	3.8
141.00232	4.0
142.03586	3.3
142.12137	2.6
143.00214	6.2
143.01924	22.1
143.05566	6.3
144.01987	12.0
144.05328	4.4
144.06580	4.3
144.98209	2.8
144.99834	3.2
145.01646	3.6
145.03487	21.9
145.05011	14.7
146.03551	4.4
146.08186	3.8
146.99635	2.7
147.03300	4.4
147.04416	12.2
147.05934	3.2
149.01146	3.2
149.02911	8.0
150.00821	5.8
151.06059	5.5
153.04042	3.2
153.05818	26.8
153.55994	3.0
154.03888	2.8
155.01910	8.0
156.07706	17.2
157.03506	10.2
158.03856	4.0
158.99666	6.3
159.03206	3.0
159.05051	5.4
160.01859	3.9
160.05211	4.2
160.06567	25.4
161.01106	3.6
161.01799	2.3
161.03011	20.6
161.06648	35.8
162.03178	20.2
162.06395	10.5
163.02725	4.4
163.04485	4.1
167.01903	15.0
169.03453	4.8
169.07138	21.7
171.01385	6.6
171.05019	5.0
172.01416	2.6
173.03014	10.0
173.06601	4.3
174.03047	5.4
175.04585	8.9
177.00810	4.1
177.02475	5.1
177.07861	15.8
178.02551	3.8
178.07591	9.3
179.07625	10.9
181.03581	3.2
183.01447	3.6
184.05966	4.1
185.02985	91.3
185.06601	9.6
186.02197	5.4
187.00929	2.9
187.02982	2.9
187.04633	3.9
188.09271	3.8
188.12866	6.7
189.02417	6.4
189.05991	5.0
189.53270	6.6
189.58481	3.2
190.01152	5.0
190.02844	13.1
190.05890	3.5
191.02173	3.1
191.03917	6.4
192.04689	8.0
192.54935	3.8
196.00946	5.3
196.03958	3.2
197.03029	4.1
199.04437	3.7
199.08057	4.9
201.00764	4.0
202.02745	3.0
202.06902	9.3
203.04086	21.7
203.05675	3.1
203.05963	3.5
203.07600	18.0
204.03772	8.2
206.11818	58.9
208.04782	4.3
209.02977	7.4
211.06323	3.0
214.01970	2.8
215.07645	10.4
217.02028	5.5
217.05569	6.9
217.09203	2.8
219.01796	4.2
220.03995	10.3
221.05084	8.0
227.02061	4.6
227.04034	42.7
227.05865	4.1
227.07655	4.3
228.03621	4.2
229.04610	5.3
232.11896	4.9
235.06628	4.4
237.06284	4.9
241.06384	17.3
241.56509	4.1
245.05038	18.8
250.00693	2.6
250.03091	5.2
250.05235	10.2
250.09261	23.1
250.12859	14.7
250.14557	17.3
250.21733	3.2
251.04425	9.2
253.07698	6.2
268.04300	6.6
269.05545	4.4
269.16107	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.20214	0.6
56.96555	1.2
57.03423	0.7
57.07081	0.7
58.30054	0.6
59.04989	1.2
69.03434	3.6
69.07050	0.5
70.79819	1.2
71.04993	0.6
72.04523	20.3
73.52197	0.6
79.05477	0.7
81.03409	1.8
85.02908	3.5
87.00832	1.4
91.05470	2.1
93.07033	0.7
95.04982	0.5
97.02889	2.0
97.06550	0.8
98.97623	1.4
99.04474	0.9
100.03978	0.8
102.13269	0.6
105.00687	0.6
105.03363	0.7
105.07044	1.2
107.04903	0.6
109.02866	1.6
111.04465	0.8
115.03909	0.8
115.05424	3.4
117.05767	2.4
117.07036	1.9
118.04398	0.6
118.05041	22.7
118.06544	32.5
118.92542	0.5
121.02844	1.3
121.95850	0.6
123.04391	1.1
127.03936	2.3
129.06979	0.5
130.06577	1.5
131.04906	0.7
131.08618	1.0
132.08101	85.8
133.06494	0.7
136.06195	1.7
137.02362	0.9
139.03893	1.6
142.06502	2.7
143.04951	1.2
143.07310	3.4
143.08363	0.5
144.04478	0.8
144.08096	17.3
145.05017	0.6
145.06464	0.8
146.06021	83.3
147.04391	1.9
147.07956	0.6
155.06046	1.1
158.08403	0.8
159.09187	0.9
160.07568	1.2
161.02351	1.2
161.06029	1.7
165.05418	0.7
170.06004	7.6
170.07335	0.8
171.04462	1.0
175.03955	0.9
175.07567	1.0
177.05582	0.6
188.07080	100.0
189.01898	2.6
189.05574	0.8
189.07462	0.9
189.09096	1.2
193.04999	1.9
203.03317	0.7
203.07045	2.3
203.11819	4.5
206.11823	0.8
207.02907	2.7
221.04449	2.8
231.06523	0.9
231.11382	0.6
231.13707	0.8
249.03868	1.0
249.07520	4.3
249.12386	29.9
250.12906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
57.03437	0.5
67.05511	0.4
69.03447	0.4
69.07072	2.7
69.60085	0.8
69.60510	0.8
70.02969	0.3
70.06582	0.3
70.31813	0.3
71.04992	0.4
73.06573	0.5
79.05501	1.1
80.29536	0.2
81.03431	0.5
81.07063	0.8
84.08171	0.3
88.03999	2.2
91.05508	0.3
94.04053	0.7
97.02877	0.3
97.06532	3.2
98.97559	0.4
98.98482	2.2
107.04976	1.8
109.02901	0.5
110.03537	0.6
110.06084	0.5
119.03563	1.1
120.08113	0.3
121.06528	0.6
124.03964	0.5
133.06491	0.4
135.03044	0.5
136.06197	93.9
137.04614	0.9
142.08641	0.4
145.02855	0.4
147.04413	1.9
149.06000	0.8
152.05692	6.5
153.04071	0.7
163.07562	0.4
174.07787	1.1
176.08009	0.4
177.05559	0.4
177.08978	0.3
186.02229	0.5
189.09148	2.4
191.07050	3.6
204.03296	0.3
204.07361	0.3
206.10341	0.4
215.10748	0.3
232.09773	0.5
232.11893	0.5
233.11755	3.5
235.05496	0.3
250.12994	100.0
251.13208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11592	1.1
53.21556	1.3
54.59044	1.1
55.01851	1.1
56.96566	1.3
57.03439	2.9
58.99856	2.3
61.02937	7.2
69.03447	6.0
70.06602	2.5
70.99533	2.2
70.99873	2.3
71.01350	1.1
71.04977	1.1
73.01418	1.9
73.02914	3.3
81.03406	3.1
82.01452	30.0
84.08128	2.7
84.99603	1.1
85.02922	10.1
87.04473	2.0
89.00906	2.0
91.02464	1.3
91.03982	0.9
97.02927	9.1
98.97588	3.1
98.98481	16.4
99.04453	1.3
100.02493	30.1
101.00887	4.2
103.00642	3.2
103.02459	2.4
109.02932	1.5
110.04023	1.4
110.07182	3.0
110.97563	1.9
111.03020	1.2
113.00880	1.3
115.02432	1.5
116.03940	1.4
118.03521	7.0
119.01926	4.2
121.01676	1.8
126.98785	13.1
127.03949	1.8
128.98607	1.2
129.03929	1.8
131.01935	2.2
133.03432	3.3
143.01912	3.3
144.99841	16.7
145.03473	2.9
145.04982	1.5
147.05038	2.4
150.00356	1.7
153.05826	2.6
153.55951	6.7
154.04709	1.9
154.05817	3.1
154.98247	8.2
155.05611	1.7
159.01393	1.7
159.05167	1.9
161.02916	1.7
161.05556	16.1
163.00745	1.3
163.02702	1.4
163.04472	2.0
168.01448	15.4
168.54663	1.3
170.06068	9.5
171.05023	1.6
172.99333	41.8
177.02499	6.3
177.06119	3.2
177.99861	6.5
186.02890	1.4
187.00873	6.2
190.07295	1.3
191.00357	10.5
196.00932	100.0
205.01970	6.9
205.05623	1.5
205.10855	3.6
210.02563	4.1
214.01970	27.6
219.02434	1.6
219.07162	6.2
228.03540	47.0
231.07013	1.2
233.10406	2.1
246.04582	4.2
251.02171	2.1
251.04532	4.9
251.11467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01866	0.5
57.03442	0.5
58.17739	0.4
60.04537	2.9
67.05499	1.1
69.03417	1.5
69.66637	1.9
70.02957	0.5
74.94983	0.3
79.05483	0.7
81.03413	0.5
81.07069	0.3
85.02898	0.7
87.00840	0.4
88.03986	0.8
91.04984	0.5
91.05496	6.5
92.05809	1.3
95.04924	0.5
95.08597	0.4
97.02875	0.7
97.06540	1.9
102.04877	0.6
102.05549	9.3
103.05270	0.6
103.05933	3.3
105.07040	2.6
107.04946	1.5
115.05467	4.0
116.06249	2.2
117.07019	2.6
118.07777	0.6
119.04910	0.4
119.08585	0.7
127.03941	0.7
128.06223	6.9
129.07019	15.0
130.07843	0.8
131.04933	1.5
131.08580	15.7
132.05687	0.7
133.06523	2.2
133.10132	1.1
137.05946	1.7
139.05463	0.5
141.07002	6.0
142.07803	3.2
143.04929	0.6
143.08571	2.7
144.05713	7.5
145.06496	5.0
146.07278	2.8
147.04434	1.0
147.06339	0.6
152.06216	1.0
153.07008	1.5
155.06053	1.1
156.05713	1.1
157.06502	7.7
157.10207	0.4
158.07307	1.6
159.08069	22.2
160.05173	0.9
160.08646	0.5
161.05998	3.4
161.09627	6.2
163.07478	0.5
167.04990	0.3
167.07048	1.1
169.06427	0.9
169.07634	3.3
170.07281	6.3
171.04405	1.3
171.08060	5.2
172.05222	2.9
173.06012	3.5
174.06793	2.3
175.07533	2.6
177.05530	0.4
178.06239	0.8
181.07658	0.6
184.05191	0.6
185.05981	0.7
186.06732	0.4
187.07570	14.5
188.08360	1.1
189.05519	2.6
189.09113	7.7
190.06259	1.6
191.07158	0.9
192.07787	0.5
193.08598	0.8
198.06770	1.2
199.07541	2.6
201.05563	1.6
203.07037	5.2
204.07838	11.0
205.08615	1.4
206.09351	1.0
216.07809	3.4
217.08577	0.9
218.09435	1.1
219.10205	1.9
221.08124	1.1
221.10172	0.3
221.11809	2.7
231.10162	6.7
231.13776	0.7
232.10597	0.4
233.11720	1.2
234.08891	0.8
249.11240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
57.03437	0.6
59.05004	0.4
60.04537	1.8
61.04851	0.7
67.05493	0.6
69.03417	1.5
69.66616	1.7
70.02943	0.6
79.05483	0.6
81.03378	0.5
81.07059	0.4
85.02904	0.5
88.98716	0.3
91.05489	6.9
92.05839	2.0
93.07021	0.5
93.65065	0.4
95.04951	0.4
97.02880	0.9
97.06527	1.6
98.20717	0.4
99.04489	0.4
102.05553	9.0
103.05930	3.7
105.07038	2.2
107.04944	1.4
115.05446	3.8
116.06237	2.9
117.07031	2.5
118.07748	0.4
119.04935	0.5
119.08652	0.9
121.06512	0.7
122.02759	0.5
127.03894	0.7
128.06235	8.0
129.07011	16.8
130.04294	0.4
130.07758	0.7
131.04913	1.5
131.08578	13.9
132.05713	0.9
133.06506	2.4
133.10136	1.3
135.07980	0.4
137.05992	1.1
141.05995	0.7
141.07010	8.3
142.07800	3.5
143.08586	2.7
144.05717	7.5
145.06494	4.9
145.10120	0.5
146.07312	2.7
147.04408	1.4
147.08009	0.8
149.74014	0.3
152.06187	1.0
153.06981	1.5
155.06032	1.6
156.05681	1.3
157.06505	7.5
158.07285	2.0
159.04471	0.6
159.08067	23.6
160.05231	1.0
160.08572	0.4
161.05981	3.0
161.09627	6.4
163.07507	0.5
167.07010	0.5
169.06464	0.8
169.07637	3.0
170.07281	6.8
171.04401	1.3
171.08032	5.1
172.05220	2.6
173.06007	3.5
174.06755	2.0
175.07532	2.9
178.06308	0.9
181.06343	0.4
184.05275	0.7
185.05991	0.8
186.06732	0.8
187.07558	15.6
188.08354	1.2
189.05486	2.8
189.09120	7.8
190.06261	1.2
191.07031	1.7
193.08649	1.0
198.06779	1.8
199.07550	2.2
201.05464	1.6
203.07034	5.3
204.07846	10.8
205.08611	1.5
206.09421	0.9
216.07829	3.0
217.08650	0.8
218.09402	1.2
219.10194	1.4
221.08136	0.8
221.11739	3.0
231.10147	5.8
231.13765	0.6
233.11865	0.4
234.08923	1.1
249.11237	100.0
250.11566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1286
Annotation	Securitinine
Peak:m/z	Relative Intensity
50.24699	0.3
53.25777	0.2
57.03424	0.3
60.19585	0.2
60.58659	0.3
67.05506	0.4
71.05016	1.1
71.50972	0.3
77.97786	0.3
79.05530	0.2
80.05031	2.4
81.03424	0.5
85.02870	0.3
94.06580	5.2
94.24484	0.2
95.04980	0.3
95.07365	10.8
106.04229	0.4
106.06573	0.6
108.04498	2.2
109.02915	0.6
110.06022	0.3
122.06050	26.3
123.06834	22.7
123.07767	0.5
131.08464	0.3
134.06044	0.8
136.06181	0.3
150.03743	0.4
150.05531	24.2
151.06310	100.0
152.07129	1.6
178.04922	1.3
180.98479	0.3
204.10159	0.6
206.04535	0.4
220.13403	1.2
220.58356	0.3
230.11856	0.5
248.09338	1.8
248.12856	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16656	20.4
94.93033	100.0
101.00895	42.3
119.01939	56.0
121.85394	6.4
127.02465	7.1
131.01950	10.7
137.02975	6.9
143.01930	27.0
159.01378	8.4
161.02969	43.8
177.02483	20.2
189.02444	28.4
191.04022	6.5
206.88586	34.6
214.80734	5.8
248.89725	23.9
249.03879	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01850	0.8
55.05505	1.3
57.03435	1.1
67.05495	2.1
69.03429	3.2
69.07069	1.0
76.57440	0.4
79.05499	2.4
81.03400	1.9
81.07081	2.2
85.02912	3.3
85.06539	0.6
87.00832	1.0
91.05489	7.4
93.07057	1.4
95.04959	1.4
95.08593	2.3
96.08125	0.7
97.02886	1.4
97.06516	0.4
98.97571	1.5
99.04479	0.7
103.05470	0.6
105.03385	0.7
105.07030	4.2
107.04963	2.3
107.08575	1.8
109.02843	0.7
109.06487	1.1
109.10138	1.4
110.06059	1.7
112.99139	0.7
115.05459	5.0
116.06236	3.3
116.98631	0.6
117.07011	2.8
119.04916	1.3
119.08607	3.1
121.06502	1.2
121.10126	0.9
123.04377	0.8
124.07615	2.6
125.08365	2.1
126.09161	2.3
127.03925	1.5
128.06226	6.4
129.07014	18.3
130.07780	0.7
131.04921	1.9
131.08580	15.8
132.05721	1.3
133.06480	3.0
133.10147	3.8
134.09599	0.6
135.08029	0.9
135.11697	1.5
137.06009	0.6
141.06996	6.5
142.07785	3.4
143.04929	1.0
143.08568	4.1
144.05711	8.7
145.02948	0.5
145.06490	4.5
146.07245	2.9
147.04356	1.4
147.08041	1.1
149.09576	0.7
151.07487	0.6
152.06194	1.3
152.10690	0.9
153.06975	1.8
155.04944	0.7
155.06073	1.5
156.05692	2.1
157.06491	7.1
157.10088	1.3
158.07277	1.8
158.99664	0.7
159.08070	25.4
160.05211	1.0
161.05966	3.2
161.09634	6.2
167.05119	0.6
167.06996	1.1
169.06577	0.9
169.07718	3.1
170.07281	7.1
171.04407	1.6
171.08038	5.5
171.11713	0.6
172.05275	2.6
173.05989	4.3
173.09700	0.5
174.06837	2.5
175.07526	2.6
175.14854	1.3
177.05472	0.8
178.06264	0.7
179.06998	0.7
179.10573	0.6
184.05270	0.5
185.05959	1.1
186.06732	0.7
187.07553	15.9
188.08290	0.9
188.14307	0.6
189.05431	3.0
189.09116	7.6
190.06253	1.4
191.07024	0.9
192.07838	0.6
193.08643	1.2
198.06783	2.2
199.07544	2.6
201.05420	1.2
203.07031	5.2
204.07823	11.3
205.08611	1.9
206.09404	0.8
216.07849	3.1
217.08615	1.8
218.09373	1.7
219.10184	3.2
221.08116	0.8
221.11671	3.2
231.06593	0.7
231.10202	6.8
231.15195	3.1
231.17148	0.9
234.06729	0.6
234.08878	1.0
249.11237	100.0
249.15785	5.8
249.18457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1334
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03949	5.6
55.05503	3.5
57.07055	1.4
58.79678	1.2
59.04996	2.0
65.03936	4.5
67.05501	5.7
67.53063	1.1
69.03437	19.7
69.07071	2.0
69.08198	1.1
69.99238	5.6
78.64498	1.1
79.05500	8.4
81.07069	10.8
83.04990	14.2
91.05494	14.6
93.03411	4.3
93.07065	13.5
95.04967	3.0
95.08607	4.2
97.02908	6.6
105.07047	14.6
107.04972	1.5
107.08605	16.4
109.02894	20.0
109.06538	12.7
109.10172	4.0
111.04476	6.1
115.05465	2.9
117.07034	10.9
119.08595	20.3
121.02876	3.8
121.06519	18.3
121.10162	8.5
123.08086	2.5
128.06229	2.8
129.07024	5.8
130.07751	1.5
131.08568	15.1
133.06479	1.7
133.10126	9.7
135.06993	1.8
135.08069	28.4
137.06000	7.5
137.09618	4.3
139.03928	1.7
141.07007	3.2
142.07782	2.1
143.08582	9.7
144.05714	2.6
144.09377	13.3
145.06512	10.3
145.10153	14.7
146.07240	1.6
147.08080	4.1
149.05922	1.2
149.09637	24.5
150.10384	3.7
151.11191	3.1
153.06917	1.8
155.08569	4.6
157.10118	5.4
158.07314	2.3
158.10942	12.6
159.08061	10.6
159.11719	30.1
160.08842	3.1
161.09598	4.6
163.07568	21.1
163.11229	3.5
165.09151	1.6
168.09377	3.5
169.10141	3.1
170.10910	4.9
171.08052	9.1
172.08856	11.8
173.06033	1.4
173.09653	31.4
173.13287	44.4
175.07593	2.1
181.06589	1.4
183.11702	10.0
185.09593	2.0
185.13319	4.9
186.10416	22.4
187.11211	100.0
189.09088	3.0
191.07045	26.1
193.10094	1.3
196.08862	5.5
196.49582	1.5
199.07674	1.5
201.12776	71.5
205.12236	9.3
206.50974	1.7
207.50508	2.9
208.00308	3.9
211.11217	12.0
211.59714	1.2
214.09938	1.9
214.57211	1.1
215.51514	3.3
219.08131	1.4
219.13824	5.3
224.02174	1.6
229.12271	70.1
247.05927	1.8
247.13333	59.7
247.17049	2.5
247.20493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.40088	0.8
55.05499	3.8
55.05741	0.8
57.07075	2.3
58.47902	0.8
65.03907	1.1
67.05507	6.6
69.07070	4.4
69.87333	3.4
69.87729	1.8
72.68286	0.8
74.95229	0.8
77.03902	0.8
79.05496	10.6
81.07057	14.7
85.02930	1.6
85.10156	0.9
91.05485	7.2
93.07044	15.1
95.04942	1.5
95.08612	24.9
97.02919	1.3
103.05387	1.0
105.07028	14.3
107.04972	1.1
107.08601	39.5
109.02847	1.1
109.06510	1.4
109.10161	6.5
111.04482	0.8
111.08083	1.6
115.05442	2.0
117.07019	6.4
119.08589	20.1
121.06515	1.0
121.10140	8.1
123.04430	2.5
125.09653	4.6
127.07482	1.0
129.07002	1.3
130.07803	2.2
131.08566	19.9
133.10141	7.5
135.08037	1.0
135.11708	0.9
139.07541	1.2
141.09093	2.1
143.08577	2.5
143.70844	0.8
144.09294	4.1
145.06465	1.2
145.10132	47.6
146.10860	1.7
147.11679	6.4
149.09578	1.0
153.09085	2.6
157.10056	4.9
158.10962	1.9
159.08083	1.1
159.11700	50.2
160.12422	1.2
161.13254	5.5
163.07471	1.4
163.11171	2.5
171.11630	1.7
172.12454	1.8
173.13280	24.4
177.09123	1.2
177.12737	0.9
186.14029	1.4
187.11165	0.9
189.12657	1.7
191.10641	6.5
199.14824	0.9
201.16386	100.0
203.17902	1.1
205.12289	2.6
211.14668	1.1
219.17427	5.1
229.12271	1.1
229.15793	3.9
247.06000	5.5
247.16957	74.9
247.24567	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	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.01883	0.2
55.05516	0.5
55.68225	0.2
57.03421	0.2
69.03441	0.8
69.07065	0.6
70.06590	0.4
71.05000	0.2
71.40929	0.3
71.41261	0.2
72.93794	0.3
79.05501	0.5
81.07050	1.0
81.63205	0.2
83.04980	0.6
85.02898	0.4
86.09711	100.0
87.04452	0.2
87.10036	0.3
87.47813	0.2
87.89325	0.2
90.94819	0.3
91.05471	0.7
93.07054	0.5
95.08600	0.6
96.08089	0.2
97.02876	0.3
97.06505	0.4
99.04456	0.2
101.06030	0.5
105.07028	0.5
107.08591	0.8
109.02872	0.2
109.10134	0.2
111.08102	0.5
114.05521	0.2
115.03988	0.2
117.07021	0.2
119.08600	0.3
121.10152	0.3
123.04453	0.3
128.06221	0.2
129.07066	0.3
132.10196	3.5
133.06435	0.2
133.10153	0.4
135.08029	0.4
135.11702	0.3
137.09531	0.2
139.07555	0.2
142.03212	0.9
143.08546	0.4
145.10146	0.2
149.09665	0.3
153.07016	0.2
157.10114	0.2
161.05974	0.4
167.10689	0.9
175.07524	0.3
185.11821	0.3
191.10628	0.4
197.11746	0.4
199.11131	0.3
199.18074	1.7
201.94302	0.2
203.03351	0.2
203.10637	0.3
206.90628	0.2
209.09967	0.2
209.11713	0.9
217.05125	0.3
217.12172	0.3
227.10692	0.5
227.14661	0.2
227.17595	0.3
229.05090	0.2
231.52022	0.2
245.04427	0.5
245.08136	1.0
245.11832	0.6
245.13145	0.6
245.18617	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	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.5
57.07075	3.7
67.05493	5.3
69.06746	1.5
69.07074	11.5
69.53027	8.6
79.05506	2.9
81.07069	17.0
83.07742	1.5
83.08619	7.5
91.05479	5.7
93.07043	8.9
95.08615	19.7
97.10168	3.0
104.93718	1.4
105.07053	9.5
107.08595	18.0
109.10168	16.7
115.95783	1.6
119.08604	12.5
120.12935	1.3
121.10146	13.6
123.11728	8.7
131.08517	1.9
133.10112	12.2
135.11722	10.5
137.13242	4.9
141.00583	1.4
145.10101	1.8
146.55936	1.5
147.11688	10.0
149.13272	12.0
151.14771	1.6
160.32642	1.7
161.13242	11.8
163.14793	17.9
175.14844	17.2
187.14809	2.8
189.16379	16.2
203.17999	6.5
218.62952	1.9
245.04434	4.8
245.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
57.03439	0.4
58.06604	7.2
59.07384	0.6
60.08167	1.4
67.04253	0.9
69.03434	0.6
70.06595	1.1
71.49973	0.7
72.08160	1.9
72.24146	0.4
82.06586	36.5
84.08148	7.2
85.02912	1.2
85.05302	1.2
86.09718	1.4
97.02914	0.4
98.09695	0.9
98.97586	0.4
100.07623	100.0
101.00893	2.2
102.00956	1.6
103.00657	0.4
110.06022	0.5
115.04085	0.4
117.10259	14.6
118.08671	1.9
119.01937	2.4
120.01270	0.4
120.02011	2.2
121.01657	0.7
127.08686	0.6
128.07095	1.6
137.02873	0.4
143.01877	0.8
144.02011	0.9
146.03633	0.5
146.08133	1.3
156.01976	0.6
157.03421	0.7
158.03659	0.8
161.02979	0.6
162.03099	1.2
164.05598	0.5
166.07144	0.5
168.05057	0.7
170.08228	0.5
173.02921	0.4
174.03113	0.5
182.06680	3.2
184.08183	1.0
185.02979	0.9
186.03087	2.5
186.06123	1.3
188.04666	0.4
198.03091	1.0
200.07622	0.9
204.04243	0.7
205.00381	0.4
210.06128	5.7
216.04347	0.5
228.07185	50.6
229.03416	0.5
229.07367	0.5
246.08237	57.8
246.18137	30.2
247.04262	1.2
247.08237	0.8
264.09302	0.4
269.09842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1818
Annotation	Valyllysine
Peak:m/z	Relative Intensity
55.87875	0.6
56.05030	0.7
58.06320	1.2
58.06604	22.2
59.07385	1.8
60.08172	5.5
62.19165	0.7
65.69537	0.7
67.77749	0.7
70.06570	0.9
70.34414	1.5
70.34808	1.6
70.57674	0.7
72.08122	0.8
80.31570	0.7
82.06138	0.8
82.06586	8.8
84.08147	8.6
85.05280	2.6
98.09695	1.7
98.20843	0.9
100.07626	87.3
117.10266	40.8
117.10979	0.7
118.08656	7.5
124.07554	1.0
127.08692	1.2
128.07108	2.0
139.12096	0.7
159.88713	0.7
168.23203	0.7
169.09689	1.9
170.08096	1.5
182.06680	0.7
187.10893	1.6
228.07190	7.1
228.17044	1.6
245.95465	1.3
246.08253	8.2
246.18146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03949	5.9
55.01876	1.4
55.05505	3.6
60.04524	2.7
65.03926	3.1
65.20035	1.3
67.01878	1.3
67.05508	5.5
69.03434	16.2
69.07071	1.5
69.36671	7.9
70.77692	1.0
79.05508	7.1
81.07055	7.1
83.04988	17.7
91.04962	2.0
91.05486	19.0
93.03410	3.9
93.07055	13.7
95.04961	4.9
95.08593	1.1
97.02924	6.9
98.20760	1.4
102.05544	9.3
103.05441	2.0
105.07044	14.6
107.04960	1.9
107.08596	14.2
109.02884	20.3
109.06531	12.7
109.10175	2.0
111.04480	5.8
111.08067	1.8
115.05411	2.3
117.07040	9.3
119.08599	18.4
120.05688	1.3
121.02855	5.2
121.06516	20.1
121.10155	5.3
123.08064	1.5
125.05924	1.5
128.06192	4.1
129.07045	6.3
130.07761	1.7
131.08583	19.1
132.05710	2.0
133.06494	1.4
133.10143	11.2
135.04404	1.5
135.08060	27.4
137.05983	5.6
137.09595	2.9
139.03976	1.6
141.06932	2.9
142.07780	3.0
143.08566	13.2
144.09361	10.1
145.06493	9.4
145.10141	11.9
146.07335	1.2
147.08020	4.2
149.09630	24.6
150.10381	4.2
151.11195	3.5
153.09132	1.8
155.08577	4.9
156.09370	1.3
157.10120	4.2
158.07338	2.8
158.10904	14.4
159.08060	11.5
159.11707	30.0
160.08841	2.8
161.09657	3.2
163.07562	18.4
163.11290	2.7
165.09213	1.1
168.09341	4.3
169.10179	1.7
170.10933	4.8
171.08109	5.6
171.11823	1.5
172.08861	16.4
173.05965	1.3
173.08136	1.4
173.09639	29.4
173.13266	40.2
173.14711	2.5
175.07558	1.9
175.11137	1.4
181.06519	2.7
183.11754	9.1
183.56648	1.1
185.09656	1.3
185.13277	2.8
186.10423	26.0
187.11198	100.0
189.09090	3.1
191.07059	25.8
196.08789	6.0
199.07518	2.2
201.12766	64.0
205.12291	7.9
211.11227	9.1
214.09937	2.0
219.13797	5.0
229.12256	67.3
232.87268	1.3
247.13321	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.5
69.03434	1.2
70.23989	3.3
70.99870	2.3
72.08161	2.2
73.08597	0.7
77.55773	0.9
82.99859	3.0
86.09706	1.3
87.59677	0.9
100.07609	4.4
101.00895	25.5
102.98029	0.9
113.00887	3.3
115.02437	2.2
119.01939	23.6
121.01656	1.0
126.98814	1.9
131.01898	5.5
133.03503	3.6
143.01917	2.4
144.99846	3.2
145.03473	1.1
157.03542	1.2
161.02948	1.6
168.99817	9.3
169.01001	1.2
172.99307	1.2
173.03024	2.3
175.04601	1.4
187.00896	10.2
187.02394	1.5
191.04028	1.5
196.99306	4.2
201.02466	1.9
205.01996	1.3
215.00388	20.9
215.02263	1.4
228.99902	1.1
229.03320	23.5
229.07516	0.8
247.04338	100.0
247.18628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.16706	1.1
56.96339	1.2
56.96569	13.2
57.03421	1.9
58.99855	1.9
61.02942	1.4
69.03414	3.3
69.49132	6.7
70.06570	4.8
70.98100	2.4
70.99840	2.2
71.95259	1.7
72.08141	4.1
81.03408	2.1
82.06581	11.3
82.99838	7.0
83.04990	1.4
83.06893	5.3
84.04496	3.1
84.08143	8.3
84.96027	2.4
85.01376	1.3
85.02899	4.6
86.06056	2.3
86.09708	4.8
86.99334	1.8
87.04430	1.3
90.94809	2.5
93.66677	1.1
97.01395	1.1
97.02915	6.0
98.06065	1.3
98.97599	22.3
99.02995	1.3
99.04464	2.0
99.97954	2.1
100.06994	1.9
100.07623	41.7
101.00886	63.9
101.07953	13.4
102.00969	1.6
102.96912	1.3
103.00648	2.1
103.02428	2.1
105.00363	1.8
109.02888	2.0
111.05556	1.3
112.05088	7.2
113.00873	8.2
113.03471	4.3
113.04735	1.2
113.05421	3.8
115.00621	1.2
115.02447	6.7
116.07069	1.4
116.98637	8.3
117.03992	2.3
119.01933	87.1
120.02002	2.8
121.01638	2.3
124.95486	3.1
125.00879	1.3
125.07122	3.8
127.02460	5.6
127.03901	4.2
129.00365	1.4
129.03976	2.2
129.10222	1.7
131.01915	17.4
131.05559	1.1
132.06564	2.2
133.03467	7.0
134.99684	3.2
137.00858	1.9
137.02951	9.7
139.02435	5.9
141.03932	2.0
142.96498	2.4
143.01918	40.8
143.03601	1.7
145.03470	13.7
146.99696	1.5
147.01404	3.6
147.05002	1.3
149.02983	1.6
149.96045	1.7
151.04549	1.4
155.01926	13.1
156.02649	1.2
157.03482	30.1
159.01398	1.5
159.05083	7.8
160.97612	1.3
161.02968	75.8
162.03085	1.3
163.04472	2.6
167.01913	6.5
169.03459	4.7
170.96016	5.1
171.05023	2.7
172.97638	1.3
173.02989	20.5
174.99109	1.9
175.04526	14.1
177.06070	3.5
179.01958	2.6
179.04044	5.1
183.05029	4.2
184.97595	1.3
185.02960	59.4
187.04584	7.3
188.97070	7.3
189.06052	1.6
191.02438	1.2
191.03955	5.4
195.11273	2.9
197.02965	9.2
199.04581	5.4
201.06105	11.7
202.98720	2.3
203.02654	2.9
203.04031	65.9
206.98109	3.5
215.04016	10.1
217.05424	1.9
219.07101	4.1
220.99702	2.6
221.01613	2.0
221.05098	10.2
226.05650	1.1
227.04033	12.1
227.07596	1.5
227.13840	2.4
228.07100	2.7
233.05014	4.5
245.05089	100.0
245.12271	4.6
245.14989	17.9
246.08244	2.9
263.02948	12.4
263.06186	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	245.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01870	0.6
55.05514	1.2
56.05047	0.6
56.96572	4.4
57.03440	1.0
58.06604	0.9
60.04527	0.4
61.02945	0.6
62.15202	0.3
65.71781	0.3
67.05523	0.7
68.05036	0.4
69.03437	2.4
69.07085	0.7
70.06596	3.0
70.98100	0.4
70.99867	0.3
71.05011	0.8
71.50344	0.5
71.95254	0.4
72.08172	2.3
72.93797	1.6
73.02898	0.6
73.06570	0.4
79.05524	0.6
81.03429	1.3
81.07048	0.8
82.06588	22.6
82.99866	1.0
83.04988	1.0
83.06922	1.3
84.04507	2.1
84.08150	4.6
85.01414	0.5
85.02916	2.5
85.06570	0.6
86.06079	2.0
86.09701	1.3
86.99335	0.7
87.04468	1.0
88.04002	0.7
90.94823	1.3
91.05481	0.6
93.07058	0.4
94.62498	0.4
95.08604	0.5
96.64252	0.3
97.02923	1.9
97.10146	0.4
98.06059	0.9
98.97588	4.9
99.04428	0.5
99.97969	0.5
100.07626	100.0
100.11259	0.7
101.00888	7.7
101.07313	0.4
101.07934	2.0
102.96855	0.4
103.02448	0.5
107.04978	0.6
109.02905	0.7
109.06507	0.5
112.05096	0.7
112.07584	0.7
112.99141	0.4
113.00845	1.6
113.03500	2.8
114.05476	0.5
115.02390	1.0
115.03946	0.6
116.07103	1.5
116.98618	2.1
117.10240	0.9
119.01937	14.0
120.02016	0.5
121.01653	0.6
123.04436	0.5
123.08112	0.5
124.07583	0.7
125.06023	0.5
127.02425	1.1
127.03906	1.5
128.07082	0.4
129.03995	0.8
129.10242	1.1
130.05025	1.0
130.08653	1.2
131.00185	0.4
131.01926	3.9
132.06573	0.5
133.03476	1.5
134.99672	0.7
137.03001	2.2
137.05972	0.7
138.01649	0.3
139.02409	0.7
140.07040	0.4
141.33177	0.4
142.03308	0.7
143.00133	1.0
143.01915	5.4
144.08105	1.0
145.03560	3.5
147.01352	1.1
149.02858	0.4
149.96140	0.8
153.05470	0.4
155.01901	3.7
155.04637	0.4
157.03413	4.2
157.06456	0.9
158.99602	0.7
159.05086	0.8
161.02972	11.0
163.04536	0.4
167.01888	1.5
167.97125	0.8
169.03508	0.9
171.05052	0.5
172.07558	0.5
172.97719	0.6
173.02979	6.0
173.04533	0.7
173.06845	0.4
175.04512	2.6
177.00801	0.6
177.02383	0.6
177.05417	0.7
179.01874	0.6
179.04070	0.6
184.09715	0.5
185.01376	0.6
185.02969	10.1
185.04616	0.8
187.04533	2.1
188.97101	1.5
189.06140	0.6
190.98680	0.7
191.04027	1.1
197.03014	2.8
199.04646	0.8
199.14465	0.7
201.06029	0.9
201.12378	0.8
202.98669	0.5
203.02222	0.8
203.04021	7.1
206.98158	0.5
215.04013	1.5
215.09927	0.4
217.05547	0.7
219.01787	0.4
221.03128	0.6
221.05081	3.3
227.04001	1.5
227.10542	0.6
227.42688	0.4
233.05177	0.8
245.05121	17.8
245.07971	1.7
245.12476	1.5
245.14987	43.3
246.13237	0.6
246.18112	1.7
263.03873	0.4
263.06284	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.8
53.67683	0.8
55.05511	1.1
60.04529	8.4
61.39439	0.8
63.66363	0.8
67.05492	0.8
69.07072	83.0
70.02953	5.2
70.05858	1.0
70.06229	3.3
78.37650	0.8
88.03996	57.4
97.06535	3.8
98.20886	1.1
102.05550	97.1
113.02386	0.8
121.06500	1.2
124.07598	8.1
130.04985	2.4
134.04462	1.1
148.06056	100.0
166.08658	13.3
179.21626	0.9
184.09688	6.0
198.11287	17.1
212.09303	1.8
226.10793	5.3
244.11824	79.4
244.94975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01706	0.5
51.53237	0.6
55.05500	0.7
59.46294	0.6
60.04528	9.4
67.05508	1.2
69.07074	39.1
70.02962	5.2
71.51949	0.7
81.07041	0.9
88.03999	53.6
91.91419	0.6
97.02846	0.5
102.05552	100.0
124.07617	1.4
130.05016	1.3
144.62119	0.5
148.06059	65.4
184.09720	2.4
189.02354	0.6
198.11266	6.4
200.16397	0.5
212.09236	2.0
226.10805	2.3
233.31087	0.6
244.11874	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42802	8.0
66.27888	8.1
69.40029	61.5
70.06599	19.2
75.13602	8.0
82.06583	29.2
82.99844	11.8
83.06100	13.7
84.04509	20.2
88.44236	9.2
98.06085	15.6
100.07629	100.0
101.00879	80.3
104.10741	33.3
112.05146	11.2
113.00873	14.4
113.05511	10.7
116.07072	10.5
119.01946	66.7
125.07130	20.7
131.01918	24.4
143.01906	24.4
145.03467	22.3
147.01488	8.7
155.01881	26.6
157.03548	20.0
161.02948	39.9
167.01945	23.8
171.04788	9.2
173.02982	19.8
179.01895	17.0
182.08141	9.9
185.03009	76.0
187.04701	11.4
197.02997	26.3
203.04028	35.0
213.12317	15.7
221.05069	11.4
227.10406	11.1
227.13974	13.8
245.00574	15.2
245.05089	86.3
245.07487	78.9
245.11342	18.3
245.14899	55.8
263.06207	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	245.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07618	0.3
68.98276	0.2
69.03434	0.5
69.42451	0.2
70.99843	0.3
71.49413	0.3
72.93777	0.5
77.87297	0.2
81.03398	0.3
82.99828	1.1
84.99609	0.2
85.01415	0.3
86.99329	0.4
90.94847	0.3
90.97992	0.3
97.02868	1.0
98.97549	0.4
99.04444	0.4
100.07645	0.4
101.00893	12.6
102.00974	1.0
102.96870	0.6
103.00648	3.3
103.02439	0.4
105.00403	0.4
113.00877	1.2
115.02422	1.1
118.98625	0.3
119.01935	18.0
120.02016	2.2
121.01675	4.1
121.02455	0.3
125.00781	0.3
127.02433	0.6
127.03936	0.7
129.00392	0.5
129.04010	0.5
131.01907	3.4
131.05582	0.6
133.03465	1.2
136.99641	0.6
137.02975	2.0
138.03079	0.5
139.02562	0.8
142.03430	0.3
142.98578	1.2
143.01909	8.9
143.03632	0.4
145.02588	0.3
145.03494	2.7
147.01392	1.1
147.05023	0.5
149.02933	0.3
149.06590	0.7
149.96117	0.9
155.00845	0.3
155.01939	1.7
157.03482	5.8
159.05034	0.3
159.99916	0.4
160.52562	0.3
160.99672	3.3
161.02977	21.7
162.03122	1.1
163.04576	0.5
167.01913	1.3
167.97163	0.3
169.03497	0.6
171.05019	0.7
172.97685	0.6
173.02983	4.1
175.04564	4.0
175.08147	0.2
177.00969	0.6
177.02649	0.3
177.09709	0.7
178.01065	1.0
179.00720	18.0
179.03960	1.2
180.00870	0.4
180.04089	1.1
181.03384	0.2
184.04591	0.3
184.99681	0.7
185.02969	9.9
187.04538	2.1
189.06183	0.5
191.04057	1.2
197.02942	1.8
198.06050	0.3
199.00879	0.3
199.04492	1.3
203.00804	3.2
203.04015	9.4
203.11296	0.4
205.05725	0.3
215.03999	2.7
217.01912	0.3
217.05656	0.6
219.01944	1.0
219.03912	2.5
220.02222	0.6
221.01805	23.0
221.05206	1.0
222.01987	1.3
226.05583	0.3
227.00720	2.3
227.04008	2.5
233.05106	1.7
236.00380	0.4
239.98468	0.4
244.03375	0.4
245.01863	11.5
245.05089	16.1
245.12270	3.1
261.03186	0.7
263.02896	100.0
264.03043	1.3
265.03336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.3
55.05511	9.0
57.03440	3.4
59.42040	1.7
67.05512	31.4
69.03413	3.8
69.07079	11.4
71.05002	2.9
71.21723	2.3
71.22066	2.9
79.05507	14.1
81.07065	90.1
83.04990	6.8
83.08622	5.5
85.06564	6.0
91.05489	20.0
93.07040	13.1
95.04949	2.8
95.08616	19.4
97.06541	7.8
99.08112	6.5
105.07047	38.6
107.08625	15.3
107.23021	1.7
109.06538	5.2
119.08585	29.4
121.10152	19.3
123.08101	4.7
123.11713	28.6
127.07585	2.5
131.08592	3.5
133.10167	4.4
137.13287	6.9
141.09160	3.1
147.11707	100.0
149.09598	1.8
157.10152	3.6
165.12769	79.0
165.14165	3.8
173.09648	2.8
175.11217	7.1
193.12273	13.7
195.82648	1.8
197.15378	15.9
229.14314	8.9
243.10031	1.9
243.28781	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	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65348	0.2
51.16122	0.2
68.31955	0.2
69.76659	1.0
82.06590	0.5
82.99845	0.8
83.99925	0.3
98.97585	0.6
99.97892	0.2
100.07616	0.8
100.83815	0.2
101.00886	8.8
102.00948	2.9
103.00617	0.3
116.98621	0.5
117.98929	0.4
119.01928	15.5
120.02007	4.1
121.01657	0.4
124.02441	0.4
135.17233	0.2
135.99977	0.7
137.02979	2.4
138.03046	0.6
140.98804	0.3
141.98923	1.2
142.03516	1.8
143.01886	0.7
147.01337	0.2
157.03561	0.2
158.99905	0.6
159.99989	3.8
160.04579	0.4
160.99710	0.3
161.02963	5.1
166.99742	0.3
173.02907	0.2
176.03174	0.2
177.00934	2.8
178.01054	17.2
179.00719	1.9
179.04010	5.7
184.00040	0.8
184.04572	0.8
185.02954	0.6
194.04135	0.3
196.02113	0.3
201.00974	0.3
202.01062	2.7
202.02721	0.3
202.05638	0.7
202.64255	0.2
203.00636	0.5
203.03979	0.6
218.04254	3.1
219.01996	2.0
220.02126	22.1
220.94231	0.4
221.01794	5.4
221.05096	0.7
226.00961	2.4
235.00905	0.4
238.98375	0.7
243.03682	0.3
244.02126	12.1
245.01811	0.7
245.05049	0.7
261.14407	0.2
262.03204	100.0
263.02881	5.6
264.03619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
53.78100	2.6
55.01883	5.2
55.05509	21.1
55.93525	9.6
56.05035	4.6
56.96570	51.0
57.03436	15.8
58.06604	9.5
59.04486	2.8
61.02930	9.3
67.05502	6.8
68.05032	5.3
69.03434	34.6
69.07070	9.2
70.06593	20.6
70.56385	2.9
71.01369	3.1
71.04993	7.8
71.50447	3.2
71.92999	10.6
72.08159	7.1
72.93795	17.6
73.02930	15.7
73.06555	15.6
79.05457	5.5
81.03426	19.1
81.04553	3.0
81.07072	10.2
82.06589	7.4
83.01311	3.2
83.04961	5.5
84.04497	16.2
84.08147	70.9
84.96047	8.0
85.02449	3.4
85.02917	35.7
86.09711	19.6
87.04463	9.9
88.95276	2.6
89.94048	12.4
90.94827	11.3
91.05498	9.0
93.07045	3.5
95.00778	4.3
95.01339	8.5
95.04996	5.5
95.08636	3.4
96.04462	4.6
97.02895	35.2
97.06535	3.4
98.06059	13.7
98.97587	69.0
99.04465	9.0
100.07616	21.5
101.00893	7.0
102.01537	3.8
103.02348	3.8
105.07037	5.4
107.04971	5.3
107.95084	6.2
109.02879	10.1
109.06512	4.5
110.01311	4.5
110.06053	3.5
110.07180	8.8
110.97588	13.4
111.04502	3.9
112.07597	14.9
112.99167	3.9
115.03938	3.4
116.07110	3.8
116.98617	20.9
117.07063	4.7
119.01939	19.8
119.04971	17.5
119.08575	6.9
123.04439	5.0
124.99136	5.5
125.96179	4.5
126.09177	5.2
127.03948	7.2
127.04996	3.1
127.12306	14.7
128.02354	8.4
128.98633	9.7
129.01993	2.9
130.08653	4.7
131.00223	3.4
131.01845	6.2
132.10225	5.5
133.03464	5.1
133.05040	3.8
133.06474	3.6
134.99655	5.0
137.02943	4.1
137.05998	8.0
138.86673	3.5
141.06906	3.0
141.99551	5.5
143.00183	10.1
143.08531	4.1
145.01720	4.0
145.03233	2.9
145.04950	4.5
145.06535	7.5
145.96613	8.4
146.04120	11.6
146.99675	7.0
147.03255	9.0
147.04277	5.5
149.96140	9.6
150.00752	3.4
150.96861	6.4
152.98540	3.2
154.97726	5.7
155.00156	3.9
155.04666	100.0
155.54848	10.7
157.03467	6.4
158.97348	3.2
158.99692	19.9
159.03061	3.5
161.01285	6.0
161.02933	10.9
161.96111	9.1
164.05223	22.5
165.04350	6.7
165.09138	4.7
165.99265	3.6
166.55432	6.4
167.07021	3.6
167.97252	5.1
169.06580	3.8
170.99620	6.8
171.00903	26.3
171.07996	3.7
172.98901	4.1
173.01349	5.2
173.05966	5.8
173.09633	12.0
174.04063	5.0
175.04437	6.9
177.00748	11.2
179.11787	3.6
184.05180	8.0
185.01341	7.4
186.04456	3.8
189.04230	4.1
189.06000	5.1
190.04407	3.8
191.97154	6.0
192.06400	3.5
197.05905	24.6
197.09631	5.8
197.12903	12.9
198.04636	4.9
201.00566	7.2
201.02188	13.0
202.01627	8.0
205.95145	6.6
207.05251	7.6
213.00827	8.5
215.07005	14.9
218.06239	4.0
219.01814	13.2
219.93488	4.4
220.05003	3.8
222.04822	7.4
222.59012	3.3
223.05540	5.7
225.09120	10.9
225.16016	11.1
227.06859	15.6
231.05281	10.9
234.07430	3.8
237.02803	10.6
243.02821	11.4
243.08232	90.5
243.10304	7.2
243.13489	13.4
243.17137	19.5
243.58305	5.7
244.02574	5.0
251.04504	7.6
252.95860	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	15.2
60.08153	0.7
61.02927	0.5
70.06599	2.9
70.72500	0.3
70.72829	0.4
71.04991	0.3
72.08162	0.5
75.16901	0.2
81.03426	0.5
82.06566	0.6
84.08147	7.7
85.02904	0.3
85.06541	0.4
87.04459	0.2
94.06510	0.3
97.02893	0.2
98.06097	0.3
98.09689	1.3
100.07611	0.7
100.11252	0.6
101.00906	0.3
104.10751	23.9
108.04478	0.4
114.05537	0.3
116.07145	0.5
119.01923	0.3
124.79794	0.3
125.07113	0.7
126.05498	0.5
128.10739	3.4
129.04239	0.2
144.10197	0.9
146.08168	0.5
155.01941	0.3
162.00343	0.2
168.10173	0.7
178.02985	0.2
185.02870	0.3
196.09683	4.7
205.46092	0.2
213.16051	0.7
221.14000	0.2
241.15485	100.0
242.15823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.21412	0.2
58.06602	15.2
61.02918	0.2
62.75588	0.2
69.03423	0.3
70.05574	0.6
70.06594	2.4
72.08154	0.5
81.03409	0.4
84.07637	0.5
84.08144	8.3
85.02898	0.3
91.13868	0.2
97.02882	0.2
98.09698	1.4
98.97585	1.2
100.11253	0.3
106.52532	0.2
110.11530	0.2
114.05568	0.4
116.07108	0.4
116.10809	0.2
116.98627	0.3
126.05514	0.5
126.09167	0.3
128.10718	2.8
143.01927	0.4
144.10196	0.9
147.04326	0.2
152.10722	0.4
155.01848	0.2
156.97450	0.5
158.08121	0.2
168.10155	0.9
196.09683	4.6
198.98543	0.2
213.16037	0.5
241.15475	100.0
242.15858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71765	0.3
52.96508	0.4
55.05514	0.5
58.06584	0.5
62.06622	0.3
65.03931	0.4
67.04258	3.3
69.03445	3.1
69.07072	13.3
69.25003	3.2
70.59037	0.3
71.04987	0.8
72.08134	0.5
80.05026	0.9
82.06586	100.0
83.07372	0.9
86.09724	0.7
88.03998	8.9
93.07040	0.4
97.02881	0.4
98.21448	0.8
98.97587	0.5
99.04488	0.4
100.07626	20.5
101.30547	0.4
102.93114	0.3
103.39609	0.4
107.08564	0.4
110.06032	0.5
118.08624	0.8
128.07092	48.2
135.04318	0.3
140.49940	0.4
144.06526	0.4
146.08134	14.6
169.04913	0.7
196.13365	1.1
214.14362	2.3
242.13892	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	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27979	0.1
50.46253	0.1
56.96584	0.2
57.66067	0.1
59.61071	0.1
62.26108	0.1
69.53608	0.6
77.79866	0.1
82.99845	1.0
91.14049	0.1
98.97587	0.8
101.00893	7.4
102.00907	0.1
106.60725	0.1
116.41614	0.1
116.98714	0.6
119.01933	8.6
122.97844	0.2
123.54587	0.1
123.98620	0.1
134.99876	0.6
137.02957	0.9
140.98839	1.8
142.03606	0.2
154.40567	0.1
158.99908	5.1
160.00060	0.1
164.98819	0.1
165.99611	0.2
175.03090	0.4
177.00974	17.7
178.01089	0.5
179.01405	0.2
179.99185	0.1
181.01823	0.1
182.99901	1.3
189.06152	0.1
193.04071	0.2
195.02054	0.1
197.00624	0.1
199.03082	0.4
200.02731	0.1
200.10271	0.1
201.00946	4.1
201.02394	0.3
202.01099	0.1
202.06894	0.1
209.98511	0.1
217.01996	0.2
217.04109	3.1
219.02025	23.2
219.94511	0.1
220.02158	1.2
225.00865	2.3
234.00716	0.4
242.03625	0.3
243.02005	13.5
244.02235	0.2
251.80344	0.1
261.03082	100.0
262.03253	1.5
263.03610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1075
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
55.05499	1.7
56.05023	1.3
56.96561	1.4
58.16759	0.8
59.57721	0.7
60.73417	0.7
64.46976	0.7
67.05495	0.9
68.05000	0.8
69.03427	1.4
69.07074	1.5
69.60411	3.6
69.60811	1.4
70.06587	2.4
72.08154	2.6
77.03914	0.7
79.05501	4.6
81.07047	0.9
83.04962	1.0
84.04510	3.2
84.08150	3.0
85.02897	2.0
86.09725	3.6
87.04421	0.9
91.05477	3.9
95.04973	0.9
97.02901	1.1
98.97598	1.7
103.05472	5.5
105.03397	3.8
105.07038	12.8
106.06564	5.2
107.04948	4.5
110.06059	2.1
116.98682	0.8
117.05744	1.2
118.06525	6.3
119.07349	10.4
119.08218	0.8
119.08577	1.4
120.08125	15.0
121.06547	1.1
121.07672	1.5
121.08449	13.3
124.03957	3.3
127.03971	1.3
128.06245	1.1
129.07018	4.3
129.10240	1.6
130.06519	0.9
131.04956	3.0
131.07297	1.7
132.04532	1.8
132.08090	7.2
134.75746	0.7
135.04436	2.4
136.93121	3.4
143.00099	1.2
144.08073	0.8
144.92949	0.8
146.06007	1.8
146.09660	82.2
147.06314	1.0
154.94141	5.5
163.03917	3.3
164.07097	0.8
164.10725	2.1
165.07460	0.9
172.95271	11.2
174.05539	1.4
174.09135	2.1
177.05588	1.2
178.08623	1.7
186.17365	0.8
190.96327	3.2
192.06613	5.8
192.10202	100.0
193.10622	0.9
206.06252	0.9
214.96310	1.7
215.37753	0.8
220.02538	0.8
220.09723	1.9
232.97327	1.4
238.07037	2.0
238.10757	17.6
238.12781	1.3
238.14491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42934	2.1
55.01838	2.7
67.05499	2.6
70.08538	7.8
71.04944	2.0
79.05495	18.2
81.03446	2.4
81.07060	4.8
84.08144	2.2
89.06040	51.7
89.40013	1.7
91.05501	10.1
93.07036	2.7
94.74467	2.1
95.05003	2.6
95.08581	3.9
96.04495	7.2
103.05478	42.5
107.04968	18.7
110.03651	8.4
119.04952	12.1
119.81441	1.8
121.06509	6.6
123.04438	39.9
123.05409	3.5
124.03951	7.0
131.04938	80.8
133.02844	2.0
133.08617	19.0
135.04408	3.3
136.96809	1.9
137.02325	3.3
137.05977	2.8
144.12251	1.9
147.04420	80.6
149.05989	28.0
159.04445	15.7
165.05515	23.3
175.03905	100.0
177.05493	80.9
177.07086	3.1
177.11165	1.9
187.05013	4.9
193.04858	24.9
193.06473	4.1
193.07860	1.6
193.08331	1.5
203.03398	91.4
221.04433	50.4
239.06786	4.7
239.08960	9.9
239.14873	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	239.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	0.7
67.05521	0.8
67.50763	0.6
69.03447	0.8
69.07070	0.8
69.92576	2.4
69.92988	1.3
71.04999	1.4
73.06532	0.8
79.05505	1.9
79.43646	0.6
81.07080	0.9
87.04475	1.1
89.06044	100.0
91.05476	1.3
95.08611	0.9
97.02940	0.6
98.21548	0.7
98.97577	0.8
102.73200	0.6
103.05490	3.0
105.03421	0.9
105.07040	1.1
106.03729	0.8
107.04952	1.5
107.07101	1.8
119.05009	0.8
121.06559	1.4
123.04454	2.0
131.04956	4.7
133.08620	39.2
138.88658	0.6
147.04437	5.8
149.06012	2.2
151.09703	3.2
159.04465	1.3
165.05481	1.7
166.42775	0.8
167.08253	0.6
175.03915	6.3
175.05125	0.6
177.05481	5.6
177.11279	4.3
179.03462	0.7
191.10698	0.6
193.05070	1.0
195.12329	3.2
203.03387	5.1
221.04478	3.4
221.08119	0.8
239.08949	3.3
239.14906	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	241.0709
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
55.00816	0.2
55.01866	0.5
55.05507	0.5
55.94256	0.2
56.96569	0.2
57.03441	0.2
57.07078	0.3
58.06599	0.2
60.04535	0.3
61.02923	0.5
62.00879	0.2
65.03950	0.3
67.05496	0.5
68.99783	0.3
69.03445	0.9
69.07069	0.7
70.02945	0.3
70.06586	0.6
71.01335	0.4
71.04987	0.5
71.51875	0.2
73.02919	0.2
79.05486	0.7
79.45418	0.2
81.03424	1.5
81.07050	0.7
83.04973	0.5
83.08617	0.3
84.08140	0.6
85.02902	0.6
86.09690	0.2
88.01371	0.2
88.03988	0.8
91.05489	0.7
93.03408	0.2
93.07030	0.5
94.02937	6.8
95.01329	0.3
95.04961	0.5
95.08627	0.5
97.02898	0.5
97.06554	0.3
97.10200	0.2
98.09678	0.2
98.97601	0.5
99.00845	0.5
99.04453	0.8
102.05553	1.8
105.07063	0.6
107.04961	0.9
107.08601	0.3
109.02892	0.6
109.06490	0.3
109.10188	0.2
111.04453	1.1
111.08080	0.2
112.03971	0.3
113.06001	0.2
115.05466	0.2
116.98685	0.2
117.07049	0.3
119.08527	0.3
121.02878	0.3
121.06490	0.2
121.10153	0.3
123.04485	0.3
123.08073	0.3
123.11835	0.2
125.05969	0.2
127.03944	0.8
130.05011	0.8
131.08574	0.4
133.06531	0.2
135.04439	0.8
135.08084	0.3
137.02353	100.0
138.02690	0.4
139.03903	1.8
139.07545	0.2
144.01071	0.3
145.02921	0.2
147.04465	0.3
148.06071	0.6
149.09599	0.5
151.03906	0.4
153.05469	0.5
159.08102	0.4
161.05931	0.3
163.03944	2.3
163.07556	0.3
167.03421	0.2
167.07164	0.3
167.08519	0.2
175.11256	0.4
177.05612	0.2
177.09105	0.4
177.12836	0.4
178.08572	0.2
181.04985	1.5
181.08679	0.3
191.03413	2.9
195.02888	0.5
195.06422	0.3
195.07974	0.5
198.06833	0.2
205.08632	0.3
205.12288	0.4
209.04422	1.4
213.09215	0.8
223.09738	0.5
223.13319	0.4
241.06647	0.3
241.08813	2.3
241.15445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03948	3.1
55.01857	2.9
55.05518	10.0
57.03430	3.5
57.07066	4.3
58.08432	1.2
59.04993	5.4
65.03900	1.4
67.05506	11.9
69.03434	25.0
69.07071	13.1
69.45437	10.7
71.05000	50.7
73.06535	1.7
79.05070	2.1
79.05497	22.9
81.03381	1.4
81.07065	100.0
83.04976	3.1
83.08603	5.4
85.06540	7.5
91.05071	1.3
91.05496	15.4
93.07053	37.0
95.04979	7.6
95.08616	21.2
95.65132	1.5
97.06548	9.3
97.10183	3.0
97.63825	1.3
98.97594	1.6
99.07504	2.0
99.08106	30.8
105.07040	35.6
107.08610	27.4
109.06525	18.5
109.10168	30.9
111.08076	4.5
113.09632	2.2
117.07009	3.0
119.08604	15.9
121.06537	2.8
121.10141	15.4
123.08082	5.7
123.11720	18.6
125.09623	12.7
127.07564	17.6
127.11199	54.9
129.06999	1.8
130.07838	1.8
131.08577	8.6
133.10143	68.8
135.08047	1.9
135.11736	8.5
137.09612	2.9
139.11211	7.2
143.10681	14.9
145.10139	23.2
147.11693	12.4
149.13245	6.5
151.11194	86.6
155.10701	18.6
159.11714	10.7
161.13243	6.0
163.11166	3.8
169.12227	5.4
173.13213	1.7
177.12781	4.1
177.16310	2.2
179.14334	1.3
191.17924	4.3
201.16365	10.4
219.10234	1.6
219.13882	3.1
219.17485	16.4
237.14835	3.5
237.18529	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.61020	0.6
52.53306	0.6
53.03953	1.6
55.01870	2.1
55.05513	9.3
56.96564	1.0
57.03446	4.2
57.07085	3.4
59.04988	3.0
65.03934	1.7
67.05514	12.1
69.03435	31.7
69.07080	11.6
71.04999	57.6
71.52107	1.3
73.06559	1.1
79.05500	12.9
81.03419	1.1
81.07065	57.1
83.04976	3.0
83.08627	3.9
85.02896	1.1
85.06538	4.4
87.36419	0.7
89.05975	1.0
91.05480	11.4
93.07050	23.2
95.04978	7.9
95.08614	14.7
96.05742	0.8
97.06535	7.7
97.10172	3.3
98.97600	1.0
99.08100	16.7
105.07043	26.5
107.05003	0.9
107.08605	25.5
109.02897	0.9
109.06525	26.7
109.10168	22.9
111.04474	1.0
111.08083	2.7
111.11687	1.0
113.09682	1.2
115.05479	1.0
117.07022	3.8
119.08599	13.2
121.06515	2.1
121.10152	13.8
123.08084	6.4
123.11723	17.0
125.09637	11.6
127.07578	7.8
127.11205	76.5
129.06998	1.8
130.07780	1.5
131.08568	7.5
133.10139	49.9
135.08051	2.1
135.11702	4.8
137.09584	1.6
139.07562	0.7
139.11197	6.6
139.98251	0.7
143.08606	1.0
143.10683	15.6
143.11784	0.8
144.05730	0.9
145.10143	30.1
147.11699	7.6
149.09624	1.9
149.13293	3.4
151.11195	100.0
155.10683	33.5
159.08054	2.2
159.11710	9.3
160.82401	0.8
161.13292	2.4
163.07573	1.1
163.11203	2.6
169.05112	0.8
169.12358	1.2
173.13269	2.5
175.07620	1.1
175.14815	1.1
177.05530	1.1
177.09114	1.3
177.12791	3.1
177.16440	1.6
187.07602	1.6
191.07135	0.7
191.14320	1.0
191.17967	1.6
201.12782	0.9
201.16396	11.2
219.10266	4.0
219.13858	2.7
219.17436	10.5
228.10129	1.7
236.07034	1.0
237.07494	3.6
237.11099	1.2
237.14845	3.3
237.18518	24.7
237.22134	1.3
238.08632	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05508	8.1
57.03426	4.1
57.07072	2.4
67.05506	10.3
69.03437	29.3
69.07063	9.4
70.59853	5.4
70.60183	2.6
71.04996	62.7
71.29621	2.2
73.06582	2.6
79.05491	10.1
81.07066	54.9
83.04977	3.2
85.06538	5.1
86.54971	2.2
91.05474	10.9
93.07056	24.1
95.04977	6.3
95.08610	9.8
97.06539	5.5
97.10165	2.1
99.08103	16.1
105.07036	28.4
107.08607	24.4
109.06535	27.4
109.10167	21.0
117.07001	3.4
119.08611	12.5
121.10123	8.6
123.08058	6.6
123.11708	14.7
125.09642	12.3
127.07603	5.2
127.11203	73.9
131.08586	4.7
133.10133	48.7
135.11700	3.6
136.40262	2.1
139.11241	6.2
143.10677	18.2
145.10156	23.8
147.11723	6.6
149.13229	3.3
151.11194	100.0
155.10674	31.8
159.11703	8.3
170.71483	2.1
177.12689	2.9
201.16391	7.7
219.17494	10.0
237.07565	3.0
237.18437	25.4
258.62015	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.79853	2.0
55.05501	9.0
56.57770	2.2
57.03431	4.4
57.07073	2.4
58.13616	2.2
59.05011	2.7
67.05499	9.7
69.03436	35.0
69.07064	8.7
70.55711	4.4
70.56048	2.9
71.04604	3.9
71.04999	69.2
79.05499	12.5
81.07065	57.6
83.04991	4.5
83.08624	7.2
85.06542	5.1
85.86601	2.1
91.05469	9.4
93.07054	21.1
95.04966	8.2
95.08612	16.6
97.06527	7.6
97.10176	3.0
99.08113	16.8
105.07040	27.9
107.08613	26.1
109.06532	26.1
109.10177	21.5
119.08613	12.3
121.10144	12.9
122.05822	2.2
123.08063	6.7
123.11727	18.8
123.15839	1.9
125.09659	11.3
127.07583	8.5
127.11208	80.2
131.08577	5.7
133.10146	59.2
135.11732	3.2
139.11195	6.6
143.10707	15.4
145.10133	32.0
147.11699	10.4
149.13347	2.8
151.11200	100.0
155.10678	35.9
159.11670	7.5
161.13274	4.4
163.11150	3.1
177.12775	3.9
177.16383	2.8
201.16333	10.7
219.13629	2.4
219.17459	9.7
237.07687	2.5
237.18532	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03938	2.5
54.36576	1.8
54.87657	2.2
55.01872	2.7
55.05506	8.9
57.03431	6.2
57.07080	6.4
62.21616	2.2
67.05511	13.6
68.19849	2.2
69.03435	34.3
69.07072	13.7
71.04995	54.9
71.65296	2.0
79.05502	11.6
81.07063	56.7
83.04968	8.4
83.08622	6.3
85.02890	2.4
85.06561	4.4
91.05501	10.3
93.07053	26.9
95.04973	10.8
95.08616	31.5
97.06541	8.3
97.10201	3.2
99.08105	17.1
100.45345	2.0
105.07033	29.9
106.46807	2.4
107.08598	36.3
109.02847	2.5
109.06529	32.8
109.10175	34.1
111.08089	4.6
119.02419	2.2
119.08626	11.8
121.02837	2.4
121.06512	2.3
121.10146	15.4
123.08077	9.5
123.11746	17.8
125.09638	12.9
127.07556	3.9
127.11203	76.9
131.08600	4.2
133.10150	45.6
135.07996	3.5
135.11694	6.3
137.13278	3.0
139.11253	10.2
143.10704	15.0
145.10141	26.3
147.11702	7.3
149.02356	3.3
149.09612	2.3
151.09979	5.0
151.11201	100.0
155.10661	28.6
159.11719	12.0
161.13232	5.6
163.11154	3.4
173.13228	2.6
177.09048	2.9
177.12802	4.2
177.16428	4.2
191.14262	2.9
192.06677	3.9
193.05051	2.6
201.16412	9.8
208.72127	2.4
208.93324	2.3
219.13867	3.7
219.17560	11.3
237.07457	2.7
237.11115	4.1
237.14873	8.4
237.18561	36.1
237.20924	2.8
237.22144	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	238.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03954	3.9
55.01869	0.4
64.58994	0.2
69.07046	0.3
69.95350	0.4
69.95742	0.5
70.02956	0.6
70.06591	0.2
71.81711	0.2
73.10431	0.2
74.02438	1.1
75.41730	0.2
77.03915	1.1
79.05501	0.9
81.03430	0.4
84.08144	0.4
86.09715	0.4
86.58184	0.2
88.03999	7.7
94.06559	0.3
95.04974	3.8
97.02892	0.6
97.44674	0.2
105.03401	100.0
105.04546	2.5
106.03743	0.5
106.06582	0.3
110.03656	0.2
110.06015	0.2
110.06796	0.2
116.03464	2.3
117.03332	0.2
122.06059	0.5
123.04443	1.9
124.03970	0.3
136.07581	0.4
148.07550	0.3
150.09181	0.2
164.04230	0.3
164.07050	0.4
173.55821	0.2
174.09177	0.3
177.05449	0.3
192.03833	0.3
192.06522	1.6
192.10211	0.4
220.06085	2.8
220.09732	0.4
220.13474	0.2
238.07040	1.6
238.10890	0.8
238.14400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.66663	1.7
53.03953	1.4
55.01866	4.3
55.05518	13.3
56.96568	2.9
57.03433	3.2
57.07080	3.8
59.05004	17.1
65.03935	2.6
65.78603	1.4
67.05513	19.8
69.03434	13.5
69.07064	11.2
69.43626	8.7
71.04999	26.1
77.58975	1.6
79.05499	23.3
79.44326	1.3
81.07063	100.0
83.04974	6.0
83.08611	4.9
85.02902	1.8
85.06557	7.1
91.05483	12.8
93.07053	26.5
95.04964	6.6
95.08611	23.6
97.02863	2.4
97.06525	10.8
97.10184	5.6
98.21404	3.9
98.41625	1.7
98.97599	18.2
99.08100	45.0
105.03403	2.0
105.07040	31.0
107.04996	2.2
107.08605	27.9
109.02849	2.9
109.06528	14.7
109.10164	28.3
111.08079	5.5
116.98621	4.8
117.06991	3.8
117.09161	2.1
119.08590	14.5
121.02890	4.8
121.06483	2.7
121.10146	20.3
123.08057	6.6
123.11705	10.1
125.09610	10.2
127.07566	23.3
127.11201	21.8
131.04915	2.1
131.08594	8.4
133.06570	1.7
133.09126	2.4
133.10139	38.5
135.04459	1.6
135.08081	3.7
135.11690	10.3
137.09628	2.6
139.11198	4.4
141.08995	1.5
143.10663	8.5
145.06454	2.0
145.10126	16.9
147.11679	11.3
149.02322	2.5
149.09598	3.6
149.13283	8.6
151.11198	42.4
155.07112	1.7
155.10678	9.5
158.99658	9.2
159.11708	13.0
161.13275	8.2
163.03922	2.7
163.07646	1.7
163.11174	3.4
165.12772	3.3
169.12260	1.8
173.13295	4.6
175.14861	3.0
177.00697	4.4
177.09090	1.9
177.12750	3.5
177.16444	3.1
177.62503	1.6
191.06967	1.9
191.17950	1.8
201.12756	2.0
201.16385	7.8
205.01343	2.5
216.10175	8.5
219.06602	2.2
219.10057	2.2
219.13814	5.4
219.17430	17.9
223.02382	19.7
237.03838	4.4
237.07428	2.5
237.11099	2.1
237.14990	7.6
237.18562	12.3
237.22133	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05526	1.0
57.03442	8.1
59.05006	11.3
67.05509	1.7
68.99800	0.6
69.07089	1.4
69.60309	2.1
69.60715	1.3
70.06586	0.8
71.04986	1.6
75.04495	2.8
77.03946	0.9
79.05506	2.2
81.03412	1.0
81.07063	3.1
83.04973	1.6
83.08624	0.8
84.08149	0.8
85.02954	0.6
85.06570	0.8
86.09733	0.6
91.05487	4.6
93.07050	2.7
95.04958	1.1
95.08610	2.2
97.02910	1.5
98.97577	1.5
102.04685	4.2
103.03989	1.4
103.05479	27.0
105.03419	0.8
105.07048	9.3
107.04982	0.9
107.08609	2.1
109.02882	0.6
109.06532	1.6
109.10149	2.0
115.05464	1.4
117.05511	4.0
117.07015	1.3
119.04893	0.7
119.08597	1.9
121.06528	0.9
121.10165	2.2
123.08068	0.7
125.09591	0.8
129.07010	1.0
129.79283	0.5
129.86336	0.5
130.04158	13.8
130.66769	0.6
131.04939	83.1
131.08582	1.6
133.06499	7.0
133.10088	0.6
135.04436	1.1
135.08084	1.7
135.11740	1.2
137.06030	1.1
142.57944	0.6
143.06174	0.7
145.06519	1.0
145.10204	0.9
146.06049	0.9
147.04451	4.3
147.08063	0.9
147.11665	0.6
148.05202	100.0
149.09647	1.2
151.07527	0.8
151.11160	1.3
157.06505	1.5
157.10008	0.7
158.07227	1.6
159.08075	0.8
159.11713	1.4
160.05211	1.9
161.05984	16.3
161.09595	0.6
161.13254	1.0
162.06779	9.8
163.03920	19.9
163.07556	66.2
173.05989	0.8
173.09612	1.6
173.13368	0.8
175.07535	2.3
177.05429	0.7
189.98901	0.6
191.03407	73.3
191.14238	0.7
201.09123	1.2
204.07904	1.9
219.02933	8.6
219.10114	2.0
219.13786	0.7
219.17435	0.9
237.03951	1.6
237.07292	1.5
237.09256	1.2
237.11209	2.8
237.14709	3.0
237.18456	1.2
237.22151	1.4
248.40193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.24960	0.2
53.03939	0.5
55.01866	0.5
55.05518	2.2
57.03434	0.4
57.07051	0.6
59.04993	0.3
60.06723	0.2
63.41733	0.2
65.03933	0.4
67.05515	2.9
69.03424	0.3
69.07068	2.2
69.20701	0.9
69.21125	1.2
71.04984	0.9
79.05499	4.2
80.02319	0.2
81.03409	0.2
81.07060	7.8
83.04964	0.8
83.08634	1.0
85.02897	0.4
85.06543	0.6
91.05480	1.9
93.03391	0.2
93.07051	2.9
93.80465	0.2
95.04977	6.1
95.08615	2.2
97.06518	0.8
97.10246	0.4
105.03352	0.3
105.07028	1.4
107.04959	1.3
107.08593	2.0
108.05739	6.7
109.06526	15.9
109.10162	1.4
111.08041	0.5
111.22782	0.2
117.07007	0.9
119.08611	1.1
121.06509	2.6
121.10133	1.0
123.04416	0.5
123.08060	0.7
123.11672	0.4
125.05965	0.3
125.09600	0.6
129.06989	0.3
131.08562	0.9
133.10092	0.7
135.08058	1.0
135.11697	0.6
137.05984	0.3
137.09689	0.4
145.10101	0.6
147.11699	0.3
149.02342	0.9
149.09659	0.4
149.13254	0.4
151.11211	0.4
153.07043	0.2
155.08670	0.2
159.11691	0.9
161.09625	0.2
161.13295	0.2
163.11198	0.2
163.14807	0.4
173.13255	0.4
176.36366	0.2
177.12738	0.8
191.14264	0.3
191.17989	0.3
192.06560	0.3
193.05084	0.3
201.12704	0.4
201.16508	0.3
219.13800	1.9
219.17421	0.8
237.14857	100.0
238.15193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02386	1.1
53.03951	5.4
55.01869	1.1
55.05519	2.6
55.05744	0.5
57.07084	4.0
65.03951	1.1
67.05512	18.3
69.03423	0.5
69.07069	3.0
69.21256	3.3
71.04997	1.2
77.03939	0.9
79.05500	25.2
81.03411	0.7
81.07063	7.6
83.04984	0.7
83.08627	1.3
85.06566	0.8
91.05489	34.2
93.07051	100.0
94.07356	0.6
95.04983	5.8
95.08614	6.6
97.06537	1.2
101.06023	0.4
105.03431	0.4
105.04527	4.0
105.07044	4.7
107.05000	0.5
107.08605	12.6
109.06527	0.5
109.10174	3.3
111.04533	0.4
111.08096	0.4
113.05988	0.4
117.07029	1.4
119.08597	6.0
121.06496	1.0
121.10155	17.5
123.04446	0.8
123.08050	0.8
123.11695	0.6
129.07025	1.5
131.08582	2.9
133.02858	0.7
133.10138	5.7
135.08041	1.9
135.11694	4.1
137.05891	0.4
137.09630	1.1
139.03856	0.5
139.11116	0.4
143.08577	0.9
145.10155	1.2
147.04349	0.4
147.11740	1.1
149.09657	1.0
149.13228	0.4
151.11191	1.1
153.09125	1.3
157.10175	1.9
159.11707	0.5
161.09598	1.1
161.13301	0.7
163.03911	0.8
171.11713	1.2
173.13278	0.8
175.07559	0.6
175.11322	0.5
175.14816	2.5
179.03299	0.6
179.10661	2.8
180.41611	0.3
189.12785	1.1
189.16386	2.3
193.12286	0.5
199.14833	2.7
207.02914	5.0
217.15848	2.6
217.19501	0.5
218.11105	0.5
223.02554	0.4
235.02357	1.0
235.06093	0.5
235.09604	2.5
235.16937	27.2
235.20720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
53.24031	2.0
53.44923	1.6
55.05512	8.2
56.22898	1.6
57.07076	9.2
59.04993	5.3
67.05505	9.1
69.03431	5.4
69.07076	12.6
69.49081	10.8
71.05011	9.0
76.67560	1.7
79.05502	8.1
81.07081	16.1
83.04964	2.4
83.08619	5.9
85.06549	4.9
85.43993	1.7
86.52785	1.7
91.05489	14.6
93.07060	18.7
95.04977	6.5
95.08623	19.8
96.15729	1.7
97.06535	4.1
105.07040	32.6
107.08602	31.4
109.06522	6.6
109.10171	16.5
111.08101	3.9
115.05424	2.6
117.07039	6.0
119.08595	91.6
121.06470	3.8
121.10150	16.2
123.08124	2.9
123.11700	3.6
125.09653	2.2
128.06262	2.7
129.07021	2.9
131.08589	17.0
133.06543	3.9
133.10149	49.1
135.08078	17.1
135.11691	6.7
137.09624	7.0
140.48471	1.7
142.07787	3.5
143.08591	11.6
144.09378	3.2
145.10138	15.7
146.07286	4.3
147.08058	6.5
147.11708	20.2
149.09679	2.9
151.11203	7.6
156.09262	2.3
157.10124	10.7
158.10870	2.8
159.11694	11.6
161.09641	62.8
161.13269	2.5
169.10155	1.8
170.10953	3.6
171.11703	6.1
173.13281	22.0
175.11269	11.4
175.14828	17.3
177.12779	4.6
179.10672	13.8
184.12495	3.3
187.11195	2.2
187.14838	5.2
189.16414	22.6
191.14224	1.8
193.15907	3.3
199.14830	13.5
217.15900	100.0
235.16968	78.0
235.20578	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20736	0.4
55.01867	0.4
55.05513	0.7
56.96580	0.6
57.03427	0.5
57.07084	4.1
59.05007	3.4
59.28097	0.4
60.04531	41.2
67.05508	4.9
69.07069	3.0
69.44057	1.0
69.44473	2.4
70.02959	0.7
70.06605	0.6
71.05001	1.0
81.03402	0.6
81.07051	0.5
82.06576	0.6
83.05001	1.0
84.08173	2.2
85.02923	0.6
85.06551	6.5
86.02426	3.7
87.08128	0.7
88.04018	1.6
91.05485	1.0
95.04971	7.1
97.06552	0.5
98.02422	0.6
98.97517	0.5
100.07622	2.1
103.07583	6.4
103.08231	0.5
106.05037	100.0
107.04951	0.6
108.05313	0.5
108.08253	0.4
113.05992	0.5
116.03458	1.7
119.07308	0.4
120.08128	1.0
121.02893	0.5
123.04440	0.6
124.04754	0.6
126.09148	0.8
132.02951	4.8
134.03218	0.7
154.08655	4.1
164.04276	1.5
172.09718	3.0
180.03734	1.1
180.11133	0.5
190.02380	0.5
190.04828	0.5
190.08896	0.6
190.10773	2.7
190.12251	0.6
200.09204	6.9
207.02933	1.9
208.03246	15.2
218.08281	0.9
218.10240	12.8
224.02654	0.6
227.60245	0.7
236.02676	2.8
236.09274	2.1
236.11272	35.2
236.17258	3.1
247.79385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01879	0.5
55.05518	0.9
55.25798	0.2
56.05040	0.3
56.96576	2.0
57.03446	1.4
57.07082	0.2
58.99883	0.2
59.05005	0.2
60.04528	0.4
61.02934	1.7
67.05520	0.4
68.05030	0.4
69.03127	0.3
69.03445	2.9
69.07077	0.7
70.06617	1.6
70.98122	0.4
71.01376	1.4
71.04992	0.6
71.50711	0.3
72.08170	9.4
73.02938	1.2
74.02460	6.9
75.04482	0.5
78.11624	0.3
79.05518	0.3
81.03444	2.2
81.07046	0.2
82.01460	0.5
82.06576	0.4
82.99876	0.2
83.05003	0.5
83.08624	0.3
84.04501	0.6
84.08160	2.3
85.02924	3.6
86.06073	0.5
86.09713	0.8
87.04482	0.8
91.05502	0.8
93.07061	0.4
95.04962	0.4
95.08644	0.4
96.04505	1.0
96.08149	0.3
97.02914	4.7
97.06557	0.2
97.96854	0.2
98.03275	0.2
98.97597	2.7
99.04468	0.7
100.02517	1.3
100.07626	0.5
101.00900	1.3
103.00652	0.4
103.02467	0.5
103.03959	0.5
103.05482	0.7
105.07049	0.6
107.04980	0.4
107.08610	0.4
109.02879	1.2
109.06544	0.3
110.07169	0.9
110.97606	0.3
111.04470	0.6
111.07444	0.3
112.07787	0.2
113.00911	0.5
114.04034	0.3
115.02532	0.5
116.07081	0.3
116.98645	1.2
117.02109	0.3
118.03543	0.4
118.06552	1.4
118.92122	0.3
119.01927	1.8
119.04927	0.4
120.08150	1.9
120.18169	0.2
121.01697	1.1
121.10170	0.3
123.04461	0.2
125.06000	0.3
125.09583	0.3
127.03931	1.1
128.04985	3.0
128.98676	0.4
129.02177	0.4
129.03941	0.2
129.10257	0.7
130.06592	0.7
131.01955	1.3
131.03450	1.2
131.04950	0.6
132.04443	0.7
133.01625	0.4
133.03471	1.3
134.99727	0.3
135.03169	0.4
135.04601	0.3
136.07658	0.3
136.93135	0.6
137.06000	1.7
138.04053	0.7
142.03537	0.3
143.00136	0.3
143.01949	0.6
145.01698	0.3
145.03520	1.2
145.04994	0.6
146.06039	100.0
147.03244	1.3
147.04507	0.6
147.06395	0.4
148.03925	0.7
149.01254	0.5
149.05998	0.3
150.05418	0.3
154.94214	1.1
155.01930	0.8
156.05095	2.2
156.97481	0.4
157.03540	0.4
157.07713	0.4
158.06053	0.6
158.99731	0.3
159.02979	1.8
160.02921	0.3
161.02969	0.6
162.05417	0.3
163.02762	0.3
163.04089	0.4
163.06248	0.2
163.07544	0.5
165.05594	0.3
168.05101	1.4
169.03477	0.4
170.04936	0.4
170.06636	0.4
170.99124	0.5
171.99213	1.5
172.01476	0.5
172.95287	1.7
172.97562	0.3
173.01288	0.3
173.02948	0.8
173.07162	0.5
174.03793	0.8
174.12811	1.7
175.02786	0.3
175.04515	0.5
177.00706	0.2
177.04080	0.6
177.05576	0.5
179.06993	0.3
181.03525	0.7
185.03006	0.7
186.06155	0.9
187.02751	0.5
187.04483	0.4
187.56839	0.3
189.00104	0.4
190.00165	1.4
190.96434	0.5
190.98671	0.7
191.02162	0.5
191.03644	0.8
191.08295	0.9
192.06630	0.4
195.01804	0.3
195.05206	1.7
196.04642	0.5
198.06392	0.6
201.00873	0.5
203.04008	0.5
209.03320	0.3
213.06448	0.4
213.94153	0.3
214.00298	0.8
214.03831	0.9
214.05714	2.7
214.09329	0.3
215.04118	0.5
219.05101	1.9
219.07753	1.9
220.13396	1.8
221.05037	0.3
223.04611	0.4
225.06032	0.5
228.07452	1.0
232.01347	1.1
232.06871	0.4
233.06590	0.3
236.05325	0.4
237.02611	0.5
237.06268	1.9
237.08704	6.3
237.13034	1.1
237.15936	0.9
237.22194	0.6
238.06709	0.2
245.06891	0.3
251.07726	0.6
255.07645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86452	0.2
53.03929	0.3
57.07064	0.3
61.91477	0.2
64.67010	0.2
65.03954	0.5
68.99791	0.5
69.83992	0.9
74.22349	0.2
77.03919	0.4
79.05496	0.6
81.03432	0.5
89.03928	1.1
91.05505	0.2
93.67707	0.2
95.04962	0.5
105.03402	0.9
107.04969	0.9
109.02906	0.6
117.03405	0.8
121.02893	1.0
123.04457	10.8
133.02882	9.3
134.22803	0.2
135.04469	2.3
135.61760	0.2
137.02368	0.9
145.02916	0.5
147.04462	1.2
151.03937	3.0
153.01842	0.8
161.02357	1.5
163.03944	7.8
165.01872	3.7
179.01845	0.5
179.03429	9.9
179.10657	0.3
189.01941	1.4
190.02646	0.2
191.03429	0.3
193.01437	0.3
205.01317	1.2
207.02928	100.0
208.03305	0.5
223.02396	2.8
232.61102	0.3
235.02425	21.9
235.14517	0.4
235.16985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
52.24879	0.7
52.54763	0.7
53.03930	1.3
55.01878	6.4
55.05516	8.2
56.96556	1.2
57.03440	1.3
57.07077	7.1
58.32738	0.7
59.04999	1.8
65.03941	2.0
67.05508	10.0
69.03449	5.4
69.07076	4.8
70.85553	1.2
71.04994	6.8
73.02901	1.3
77.03928	0.8
79.05501	14.7
81.03413	2.0
81.07066	19.5
83.04986	4.3
83.08627	2.2
84.08146	1.0
85.02921	1.6
85.06528	1.7
86.09705	0.9
87.04480	2.0
91.05491	23.1
93.06483	1.3
93.07054	21.4
94.31268	0.8
95.04990	7.6
95.08620	9.0
97.02910	3.6
97.06538	5.4
97.10209	1.1
98.97586	4.2
99.04446	1.4
99.08112	2.0
100.36941	0.7
103.05476	2.7
105.03389	1.8
105.07040	40.0
107.04983	5.0
107.08613	13.5
109.06528	8.5
109.10162	5.5
110.07227	0.7
111.04438	1.8
111.08091	2.0
113.06022	1.3
113.09607	1.2
113.96410	1.0
115.05483	2.4
116.98589	1.3
117.07043	9.7
119.04939	1.2
119.08600	28.6
121.02889	1.5
121.06518	11.5
121.10132	6.0
123.04427	2.0
123.08098	4.2
123.11697	1.3
125.06063	1.1
125.09615	2.4
128.06219	3.4
129.07014	12.2
130.07806	1.5
131.04900	1.7
131.08588	13.7
131.09526	1.4
132.95815	0.9
133.02846	1.1
133.06516	15.5
133.10144	39.5
135.04468	0.8
135.08081	8.4
135.11713	4.0
137.05939	1.2
137.09610	4.3
139.07515	1.8
141.06989	1.5
142.07796	8.1
143.08563	11.1
145.06511	3.3
145.10136	8.8
146.07233	1.1
147.04427	2.7
147.08069	10.5
147.11702	25.6
149.09641	8.1
149.13286	1.1
151.03879	1.6
151.07513	2.5
151.11192	3.0
153.09058	1.0
155.08615	3.5
156.09315	1.7
157.06494	1.9
157.10146	27.6
158.99733	2.1
159.08113	2.3
159.11674	5.4
160.08769	1.0
161.05980	3.8
161.09628	11.5
161.13242	3.5
163.07535	4.0
163.11217	1.5
165.09050	1.0
169.10092	1.1
171.08078	3.4
171.11687	13.9
173.08237	0.9
173.09648	3.5
173.13245	3.6
175.07637	5.1
175.11203	41.5
175.14804	6.2
177.00729	1.6
177.12758	2.1
179.07057	1.5
179.10704	6.4
180.57892	0.7
181.08632	3.1
181.10149	3.8
184.08807	0.9
189.05421	1.2
189.09164	2.0
189.12772	13.3
189.16365	3.3
190.06332	0.7
193.08652	3.0
193.12259	4.9
193.16011	1.6
199.11208	13.6
199.13083	0.9
199.14836	2.8
200.08713	0.8
203.03426	1.0
207.02902	4.6
207.13792	4.4
214.08586	1.4
215.09282	0.9
217.05031	1.6
217.08672	1.1
217.12271	14.4
217.15833	7.5
217.19368	0.9
218.11038	1.7
227.65150	0.8
235.06003	3.2
235.09950	3.4
235.13319	100.0
235.16893	40.0
235.20744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03943	2.6
54.30879	1.8
55.01863	3.1
55.05497	8.7
57.07073	3.3
58.39252	1.8
59.04991	4.3
67.05508	25.9
68.82574	2.2
69.00793	1.8
69.03418	5.2
69.07075	17.6
69.41965	5.8
69.42376	9.9
71.04993	3.1
79.05496	33.6
81.06602	2.6
81.07066	39.4
83.04951	5.8
83.08627	6.6
91.05488	64.4
93.03397	2.1
93.06496	4.1
93.07054	72.6
95.04981	9.5
95.08619	49.6
97.06527	12.2
99.04449	2.6
103.05460	6.3
105.03413	2.8
105.04555	2.2
105.07043	64.3
107.04959	10.1
107.08607	31.5
109.06533	4.2
109.10171	13.0
111.04436	3.0
111.08091	14.5
115.05458	5.2
116.06245	4.1
117.07038	17.7
119.04951	2.4
119.08590	52.5
121.06499	13.1
121.10171	11.8
123.04420	7.3
123.08043	3.9
123.11710	5.1
125.09603	3.0
128.06166	2.2
129.07002	7.1
130.07753	3.7
131.04926	3.3
131.08578	100.0
133.06517	9.7
133.10149	25.7
135.04411	6.8
135.08058	12.7
135.11707	5.1
137.06009	10.7
137.09605	3.5
139.07533	14.1
141.07002	3.0
143.08575	4.9
145.06505	11.9
145.09061	3.7
145.10139	51.5
146.06000	12.4
147.04359	2.5
147.08067	8.2
147.11703	17.6
149.05962	8.5
149.09599	7.6
149.13225	4.3
151.07610	10.2
153.09099	2.3
155.08534	3.0
157.10120	5.8
159.04347	2.0
159.08069	15.9
159.11731	20.5
161.06029	2.7
161.13306	4.0
163.07521	8.5
163.11157	6.2
165.09108	7.3
169.10187	3.0
171.11693	4.8
172.05087	2.2
172.12415	2.3
173.05933	6.4
173.09648	12.9
173.13194	11.4
174.05518	19.7
175.11171	5.6
177.05441	2.6
177.07657	3.3
177.09117	50.1
181.51346	2.9
187.07509	5.0
187.11230	3.1
187.14842	57.9
189.16316	6.8
190.01900	5.8
190.51889	8.5
191.10695	11.3
191.14339	7.4
191.51320	3.7
197.13237	6.6
198.03075	5.0
199.02386	2.8
200.53259	2.1
202.03091	2.4
205.08519	5.9
205.12219	2.4
205.15944	4.9
215.07008	5.5
215.10808	4.1
215.14339	35.0
215.17929	3.8
233.04381	7.5
233.08032	22.1
233.11491	3.9
233.12993	12.0
233.15344	97.1
233.18745	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62990	0.8
55.05494	0.7
57.03428	0.9
57.07081	43.0
60.04527	7.7
67.05512	1.0
69.03434	1.8
69.07059	3.2
69.56243	5.2
70.02957	3.6
70.03776	0.9
71.08634	0.8
72.08144	0.8
79.05504	1.6
81.07055	0.8
82.79696	0.7
85.02917	0.9
85.06551	21.0
85.27348	0.8
86.09673	1.1
88.03999	56.9
91.05499	1.2
96.08171	0.7
97.02924	0.8
97.06525	3.5
98.20824	1.6
98.97585	2.5
102.05551	100.0
107.14648	1.0
109.10126	0.9
116.98662	0.9
119.04916	1.2
128.98615	1.1
130.05023	3.5
131.08632	1.0
133.10159	2.4
135.08060	3.6
137.05960	1.5
145.10184	1.1
148.06062	96.4
155.01851	0.9
158.99625	1.0
170.99681	0.9
172.09807	0.8
173.13252	2.5
174.12827	1.0
186.11279	3.4
187.11201	0.9
188.14342	1.1
190.15906	2.4
200.09259	1.4
211.07286	6.9
211.57472	1.5
214.10733	2.5
214.15961	1.1
217.39627	0.8
220.57967	1.1
231.01588	1.0
231.58804	0.9
232.11823	3.0
232.17024	8.1
233.11745	1.3
233.15442	1.0
249.02983	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69458	7.5
71.52699	16.2
76.94695	7.2
77.41016	7.8
82.40777	7.1
84.08137	7.9
84.19861	7.6
92.25443	7.3
100.07615	22.2
101.00887	13.0
116.10741	34.0
119.01950	12.1
121.76319	7.6
143.01889	17.8
146.08099	8.9
161.03008	24.2
191.03998	19.5
193.73663	8.0
233.06502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.02747	0.5
51.02386	0.6
53.03941	2.1
55.01852	1.5
55.05498	2.5
57.07071	2.4
66.84593	0.6
67.05508	4.0
69.03432	5.6
69.07059	2.6
70.02069	2.7
71.05000	1.6
71.89338	0.6
72.04494	0.8
77.03925	0.7
79.05502	33.3
81.07068	4.2
83.04977	2.3
83.08629	3.8
85.06557	3.6
90.15503	0.6
91.05476	6.6
93.07065	7.9
95.04984	4.5
95.08628	4.1
97.06527	3.0
105.04498	1.2
105.07044	10.3
107.04967	40.0
107.08607	9.4
109.06503	1.8
109.10154	1.2
111.04426	0.9
111.08092	3.5
115.05461	1.1
116.06250	0.9
117.07024	5.2
119.08595	13.3
121.06505	2.0
121.10136	5.1
123.08080	1.5
125.09644	3.0
129.07014	2.0
130.07709	1.0
131.08586	13.7
133.06514	0.9
133.10152	9.8
135.08092	4.2
135.11703	1.4
137.09662	5.1
141.06992	0.7
142.07814	1.8
143.08546	2.5
145.06508	1.2
145.10149	14.0
146.06026	1.5
146.10939	1.0
147.08064	15.1
147.11713	13.7
149.09628	6.8
149.13255	2.5
155.08566	1.1
156.09300	1.1
157.10147	6.3
158.10899	2.7
159.08116	1.7
159.11708	2.8
160.08833	2.5
161.13396	0.9
163.11172	4.0
163.14824	1.2
167.08553	1.1
169.10121	1.2
171.11690	2.9
172.12486	1.4
173.05998	1.4
173.09627	2.1
173.13268	9.3
174.05505	1.3
175.11195	22.9
176.04634	0.6
177.09024	0.9
182.01219	0.7
182.10913	2.2
185.06033	1.1
187.11153	0.7
187.14799	5.1
189.12753	8.0
189.16386	0.9
191.07021	0.8
191.14328	44.1
197.13329	3.2
200.08681	0.8
203.08511	0.9
215.14328	10.5
215.18031	0.9
228.93277	0.7
233.06653	3.2
233.15381	100.0
233.19109	3.6
234.15800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05505	4.8
57.07078	1.8
67.05511	11.5
69.07076	8.9
70.27891	1.3
70.28233	4.2
71.04986	4.9
79.05494	8.1
81.03447	1.3
81.06602	1.3
81.07065	30.2
83.08610	4.4
85.06532	4.1
91.05479	9.2
93.07048	25.2
95.08614	31.1
97.02936	3.1
97.06557	1.5
98.00734	1.1
98.20992	1.9
98.62804	1.4
99.08086	5.0
105.07041	34.6
107.08593	45.8
109.06570	1.5
109.10162	15.6
111.08086	1.8
111.11749	1.4
113.09631	2.9
119.08589	78.5
121.10149	10.0
123.08040	1.7
123.11697	8.5
125.09599	1.5
131.08632	2.3
133.10138	70.9
135.11700	67.3
137.09613	3.9
146.10896	1.3
147.11696	9.7
148.33934	1.2
149.13245	3.6
160.05276	1.5
163.14827	47.2
167.07072	1.2
167.08667	1.0
175.14839	100.0
181.15923	9.1
183.11438	1.4
193.15891	41.3
211.07819	1.2
211.16948	21.1
212.07892	1.3
215.25322	1.3
229.05107	2.3
229.08743	6.5
229.15898	2.3
229.18018	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	230.1025
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
50.84112	0.7
53.03945	0.7
55.01853	0.6
55.05508	1.6
65.09253	0.7
65.50372	0.6
67.05500	1.7
69.03448	0.7
69.07076	97.5
70.02964	3.5
70.06595	2.0
70.07433	0.9
71.15352	1.4
72.08184	1.0
74.02448	22.4
81.07082	0.9
83.05011	1.0
84.08172	0.8
85.02895	0.9
86.06076	1.4
88.04001	43.4
94.14944	0.7
95.04955	0.8
96.08955	0.8
97.02938	0.8
97.06516	5.1
99.00832	0.6
99.08094	1.3
102.05553	3.3
107.08588	0.7
108.08958	0.8
110.06039	0.9
114.09180	2.7
115.07606	1.3
116.03468	20.2
120.08926	0.9
121.02845	1.8
124.07574	1.5
128.06241	0.8
134.04503	100.0
134.10493	1.6
136.12022	0.8
140.10747	1.4
145.06470	0.9
146.04497	0.8
147.04469	1.1
148.06064	1.7
152.07104	1.6
160.05219	2.6
164.15244	1.1
166.08644	8.9
170.08264	0.9
173.06003	2.7
174.06750	1.1
175.03937	1.1
176.15125	1.2
184.09715	8.2
194.16203	0.8
202.06277	0.7
210.06566	1.1
212.07312	1.2
212.09203	10.0
212.12825	1.6
212.17328	1.6
219.84543	0.7
230.08411	2.9
230.10252	69.7
248.99632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46225	1.1
53.03936	2.8
55.05518	11.6
57.07092	6.1
61.52322	0.9
64.38609	1.1
67.05511	11.1
69.03437	8.3
69.07071	18.6
69.56855	2.9
69.57272	2.9
71.04990	4.3
71.08612	1.1
74.06574	1.0
79.05507	13.6
81.03413	4.2
81.06591	2.1
81.07066	39.2
83.04987	1.2
83.08630	12.5
85.02910	4.0
85.06545	10.8
87.00816	1.9
91.05466	2.8
93.07054	28.1
95.04974	5.9
95.08616	64.0
97.02881	3.3
97.06562	1.6
97.10198	7.3
98.21525	1.0
98.97593	3.2
99.04477	2.4
99.08107	4.1
105.07027	3.4
107.08601	42.5
109.02891	2.0
109.06547	1.1
109.10165	28.1
110.99081	1.0
111.08102	3.6
111.11702	2.4
113.06017	6.2
113.09637	1.5
119.08612	1.7
121.10157	56.3
123.11718	8.0
125.09615	1.9
125.13274	1.1
127.03925	2.1
133.10182	1.3
135.11697	17.1
137.13266	8.1
139.11211	4.5
139.17702	1.0
139.18744	1.1
141.05472	11.9
143.08530	2.0
145.10129	1.2
147.08037	1.1
149.13214	4.7
151.11198	2.3
151.14810	2.7
161.09659	2.6
165.16415	7.3
177.16403	100.0
177.82684	1.0
179.10588	1.1
183.17407	6.5
189.61476	1.1
195.17467	27.3
195.19313	1.3
211.07307	1.6
213.18466	3.6
231.06514	3.5
231.15758	1.5
231.19604	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1706
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03948	1.0
53.30387	0.3
55.01870	0.7
55.05516	9.8
55.89732	0.3
56.05035	0.8
56.62878	0.3
56.96558	0.6
57.03439	0.5
57.05817	1.0
57.07099	0.3
62.07492	0.3
65.03948	0.4
67.05509	0.6
68.99800	0.4
69.03437	7.0
69.07076	0.5
69.49982	0.2
70.06594	0.8
71.01362	0.4
71.05000	1.0
71.50616	0.3
72.08162	100.0
73.02914	0.6
79.05502	0.8
81.03423	3.7
81.07065	1.0
83.04994	1.1
83.08619	0.7
84.08160	0.8
85.02913	3.0
86.06097	0.6
86.09713	5.7
87.00854	1.1
91.05491	0.7
93.07064	0.8
95.04987	0.8
95.08626	0.6
97.02901	2.8
97.06562	0.6
98.06134	0.3
98.97604	0.7
99.04477	1.6
99.05622	0.8
105.07055	0.7
107.04989	0.3
109.02893	1.6
109.06563	0.7
111.04456	0.7
115.03960	0.4
115.05443	2.5
116.07130	0.5
119.04980	0.3
121.02878	27.3
121.10146	0.3
123.08084	0.6
127.03920	2.4
128.06294	0.3
129.07056	0.6
129.10236	0.4
132.10205	3.6
133.04955	0.4
133.06485	0.3
133.10225	0.3
135.08144	0.4
139.07556	0.3
143.04939	1.1
145.06570	0.4
147.04456	0.5
147.08083	0.6
157.06535	0.7
160.05276	0.6
161.05905	0.4
167.10727	0.2
171.03230	0.3
171.04407	1.3
175.07552	1.3
177.09113	0.3
185.03070	0.4
185.05867	0.3
185.13268	0.3
185.16606	1.0
187.07579	0.3
188.04851	0.4
199.04030	0.8
203.07045	2.7
213.05602	0.6
213.12755	0.3
231.01096	0.5
231.02968	0.6
231.06593	7.1
231.10283	0.6
231.13768	0.7
231.17036	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	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03716	1.3
53.03949	16.4
55.01880	7.6
55.05510	1.6
57.03423	3.3
61.02899	1.8
67.01849	1.0
68.99784	2.8
69.03432	100.0
69.07060	1.9
70.06580	2.3
71.04993	8.2
71.50837	1.3
72.08139	3.0
79.05499	1.8
81.03422	55.8
81.07048	2.3
83.01327	2.8
83.04965	1.8
84.08130	1.7
85.02908	35.1
86.06065	1.8
86.09693	3.7
87.00835	31.6
87.04482	1.6
93.07036	2.2
95.04954	1.2
95.08604	1.7
97.02896	58.8
97.06483	1.3
98.97560	1.2
99.04453	23.8
105.01875	10.4
105.07028	1.6
107.08560	1.7
109.02881	35.0
109.10146	1.9
115.03909	1.4
119.08577	1.4
121.10115	1.4
127.03923	50.4
128.98480	1.0
129.06999	1.8
131.04938	1.2
135.11685	1.0
139.03873	0.9
142.07736	1.4
143.08531	1.4
145.04956	6.2
157.06532	3.1
157.10054	1.1
158.99620	1.2
159.07948	1.3
159.34668	1.0
160.05190	1.2
161.06004	1.2
161.09665	1.4
168.07874	1.0
171.02992	1.6
171.04428	3.6
171.08012	1.3
175.03893	1.3
185.02954	2.9
185.05998	3.1
185.09627	1.7
185.13324	1.5
189.05455	2.1
189.08983	1.5
213.03870	2.8
231.02724	2.2
231.04955	8.8
231.06953	7.7
231.10292	3.5
231.13757	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	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01875	0.4
56.96555	0.7
57.03434	0.7
58.06603	5.1
59.07386	0.9
60.07893	0.5
60.08171	6.8
61.02925	0.5
68.05025	1.0
68.93676	0.2
69.41306	2.1
70.06598	28.9
70.99854	0.5
72.08157	1.2
73.02917	0.4
82.06582	4.1
82.99854	0.8
83.06911	0.9
84.08147	1.3
85.02888	0.4
86.03693	0.3
86.06086	1.8
88.72186	0.3
96.08122	0.8
98.06058	0.5
98.20734	0.3
98.97589	0.8
100.06995	0.5
100.07624	8.0
101.00892	6.2
101.07959	2.7
102.01013	0.3
110.39193	0.3
113.00861	0.6
114.05547	4.0
114.09174	1.9
115.02451	0.3
116.07104	0.8
119.01939	7.1
124.07628	2.9
126.09164	0.7
126.98798	0.6
129.02216	0.3
129.10202	0.3
131.01871	1.4
133.03476	0.5
137.02946	0.9
142.08649	27.7
143.01927	0.4
144.99873	0.8
145.03459	0.5
161.02979	0.5
162.82004	0.3
168.99808	1.5
170.08134	1.6
175.04552	0.3
176.03499	0.2
183.14955	1.0
185.06631	0.3
187.00882	2.4
196.99289	0.7
197.01169	0.4
205.01904	0.4
209.02478	0.3
211.06262	0.8
215.00389	2.7
226.15448	0.3
229.07436	3.8
229.15492	100.0
230.15799	0.7
247.08443	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	229.18
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03933	3.9
55.01865	3.2
55.05511	56.3
56.96572	2.2
57.03440	12.5
57.07074	6.4
58.53716	1.9
59.05001	12.0
64.12048	2.2
67.05508	69.5
68.43472	1.9
69.03427	13.9
69.07069	23.9
70.06587	2.2
71.05004	11.0
79.05489	9.3
81.03397	1.9
81.07057	37.0
81.71519	2.1
83.04986	53.6
83.08622	31.2
85.02890	2.3
85.06544	28.3
87.04446	3.2
89.06023	3.0
91.05480	7.4
93.07062	18.7
95.04963	11.3
95.08615	24.4
97.06523	6.5
97.10163	8.1
98.21549	3.5
99.00816	4.4
99.08087	12.7
101.06010	9.2
105.07046	11.3
107.08589	38.0
109.06530	2.3
109.10160	100.0
111.08123	10.4
113.05984	3.4
119.08569	17.7
121.06442	2.7
121.10142	13.5
123.08037	3.5
123.10847	2.5
123.11716	36.9
125.09615	15.5
127.11203	31.9
128.06190	2.3
129.07054	2.3
131.08577	6.7
133.10121	14.0
135.11702	30.8
137.05992	2.2
137.09627	7.6
137.43391	2.1
139.11249	2.2
143.08580	4.9
145.06509	2.7
145.10123	9.6
147.11691	8.1
149.13284	15.4
151.11197	10.8
151.14743	3.2
153.12723	8.8
155.08536	4.9
155.10648	3.9
155.92715	2.0
157.10109	2.4
159.08098	2.5
159.11684	4.6
165.12689	2.7
167.13005	3.4
167.14325	38.0
168.43431	1.9
169.10118	3.7
169.10744	3.2
169.12242	45.5
171.11731	3.1
171.13765	4.0
173.05888	2.2
173.09663	3.0
173.11755	12.5
173.13228	4.4
175.14865	12.2
183.08041	3.1
183.11604	3.6
185.13313	3.5
185.15387	11.0
187.03951	3.9
187.11182	3.0
187.14755	2.4
193.15872	24.9
201.09138	3.6
201.12650	2.3
201.16336	2.7
211.07523	2.6
211.14954	3.5
211.16937	91.7
229.04939	32.2
229.08484	12.6
229.12256	8.5
229.14279	13.9
229.15912	11.0
229.17569	23.4
229.19595	5.3
229.23546	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03950	0.7
55.01872	0.8
55.05513	8.6
56.65834	0.6
57.03443	20.5
57.07085	2.2
59.05005	6.5
65.03957	1.4
67.05511	100.0
68.05843	1.0
69.03430	1.3
69.07075	5.3
70.06594	1.1
71.04993	5.2
71.51685	0.7
77.18931	0.6
79.05504	3.7
81.07067	21.5
83.05020	1.7
83.08623	8.4
85.02891	1.0
85.06548	5.0
91.05495	9.6
91.38998	0.6
93.07053	7.1
95.04978	1.7
95.08624	8.6
97.06544	2.1
98.97594	1.3
99.00814	1.1
99.08121	1.6
103.03931	2.6
105.07051	6.0
107.08601	5.2
109.06551	2.1
109.10165	91.3
110.10515	0.9
111.08100	3.8
113.06016	0.7
115.05435	0.8
117.07021	1.0
119.07806	1.0
119.08593	10.5
121.10159	3.7
123.11700	3.9
125.09608	1.3
129.07033	1.2
131.03484	0.7
131.08554	2.1
133.10115	2.9
137.09608	5.7
143.08440	0.8
145.10135	1.5
147.11697	11.7
149.13260	0.8
151.11206	1.0
155.08527	1.4
155.10638	8.1
157.10146	2.9
161.06256	2.1
165.12740	5.2
171.11607	0.9
173.05974	1.8
173.09573	1.2
173.11760	31.1
175.11140	2.3
183.05780	1.7
183.08127	1.3
187.03938	4.2
187.07585	0.9
193.12196	0.9
197.05771	0.8
201.05455	1.9
201.09064	1.6
201.12816	0.9
211.07668	1.5
211.13181	1.0
211.15047	1.0
211.16849	1.3
212.16412	2.0
229.04901	2.6
229.08588	7.0
229.12529	2.5
229.14336	58.9
229.19429	2.2
229.23473	0.9
238.02472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87561	0.2
55.01866	0.6
55.74979	0.2
55.91523	0.2
56.96563	0.6
57.03424	0.9
58.06602	5.0
58.50574	0.2
58.99850	0.4
59.07376	0.8
60.08169	5.7
61.02934	3.0
68.05011	1.1
68.98280	0.4
69.03444	0.6
69.07054	0.3
69.93299	1.4
70.06596	28.6
70.99844	0.7
71.04998	0.4
72.08164	0.8
73.02908	0.9
81.03426	0.6
81.04527	0.8
82.06121	0.4
82.06585	6.2
82.99856	1.5
83.06911	1.9
84.08134	0.9
85.02917	1.6
85.06520	0.3
86.06052	0.3
86.09695	0.8
95.06116	1.4
96.08128	1.3
97.02899	0.6
98.06037	0.5
98.97581	0.8
100.02458	0.4
100.07625	12.0
101.00889	13.2
101.02597	0.3
101.07947	3.1
102.00983	0.3
113.00852	1.0
114.05543	2.9
114.06247	0.3
114.06665	0.5
114.09178	1.6
115.02433	0.6
116.07102	2.1
116.61520	0.3
119.01929	14.5
120.02020	0.8
123.02866	0.3
124.07584	2.3
126.02578	0.4
126.09230	0.6
126.98807	1.3
127.03880	0.5
127.05023	0.3
127.31517	0.3
128.98628	0.4
131.01901	1.4
133.03502	1.9
135.03117	0.7
137.02933	1.2
142.03561	0.5
142.08643	27.5
143.01926	0.7
144.99835	1.4
145.03398	0.6
146.08113	0.6
147.91862	0.3
151.04546	0.3
157.03418	0.5
158.99718	0.3
161.02962	1.0
162.03163	0.3
168.99860	3.3
169.01283	0.5
170.08179	1.6
172.99329	0.6
173.03021	0.5
173.99515	0.3
175.04628	0.5
177.02403	0.4
183.07690	0.8
183.11281	0.9
183.14961	2.1
187.00908	4.9
187.04585	0.3
188.01033	0.5
196.99326	1.1
197.00999	0.5
205.01942	0.9
211.06323	0.8
215.00401	5.0
220.04187	0.3
229.07420	5.4
229.11810	2.5
229.15482	100.0
230.06900	0.5
230.15840	0.7
233.01396	0.4
243.03683	0.3
247.08446	5.9
248.07922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03927	1.1
55.01876	6.0
55.05514	7.0
57.03419	2.5
57.07072	2.0
59.05012	0.9
65.03928	1.2
67.05511	26.0
68.80903	0.9
69.03417	1.7
69.07076	11.1
69.53760	1.8
69.54172	4.0
71.04981	2.8
79.05503	10.8
81.07065	53.1
83.04984	4.5
83.08620	6.0
85.06533	3.8
91.05486	23.5
93.07047	10.1
95.04993	5.3
95.08625	11.8
97.06527	10.7
97.10153	1.1
99.00854	1.4
99.08098	1.9
105.07040	28.1
107.04948	2.4
107.08605	10.0
109.06544	6.8
109.10165	10.5
111.04461	0.9
113.05990	1.9
115.05424	1.9
117.06987	2.0
119.04937	1.0
119.08591	30.9
120.16840	0.8
120.54090	0.9
121.10152	19.7
123.08043	2.8
123.10851	1.3
123.11722	25.5
127.07535	1.9
129.07022	6.8
131.08600	5.7
133.09427	0.9
133.10159	9.2
135.11731	1.0
137.09595	1.4
137.13245	1.8
141.07056	1.1
142.07770	1.5
143.08543	1.7
145.10081	3.4
147.11700	86.2
149.09608	3.7
155.08636	1.2
157.08961	1.7
157.10141	18.1
159.11667	3.1
165.11426	2.0
165.12769	38.2
173.11757	2.2
173.13220	2.2
175.11197	20.8
180.35373	0.9
183.11604	1.1
183.13805	2.6
185.13419	1.0
187.07680	1.4
193.12225	6.9
193.39143	0.9
201.05411	1.0
211.13235	3.2
211.14948	1.4
229.04936	3.0
229.08592	6.1
229.14325	100.0
229.19514	3.0
229.23485	2.8
230.18971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01878	11.8
55.05514	11.2
57.03435	3.6
57.18377	2.5
67.05505	33.5
69.07066	17.8
69.83576	2.3
70.62393	5.6
71.04979	4.9
77.68704	2.0
79.05493	12.0
80.69828	2.8
81.07058	86.9
82.76700	2.1
83.04991	6.1
83.08631	7.3
85.06528	3.9
91.05471	22.8
93.07059	14.3
95.04964	3.8
95.08614	18.4
96.14333	2.3
97.06540	5.7
97.14980	2.2
105.07044	36.5
106.47083	2.5
107.08598	13.6
109.06526	10.0
109.10136	9.2
119.08597	32.5
121.10159	20.8
123.08064	4.2
123.11711	37.8
124.50187	2.2
127.07550	3.6
129.06973	3.2
131.08580	2.5
133.10120	7.2
145.10159	2.9
147.10513	4.9
147.11693	100.0
157.10123	9.2
159.11615	2.5
165.12747	54.8
175.11177	13.5
183.13831	5.6
193.12224	11.7
211.13249	3.6
229.05009	5.2
229.08710	4.2
229.14319	41.0
229.23558	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01869	1.1
55.05518	4.6
56.02648	1.3
56.96564	0.6
57.03445	0.5
57.07087	1.2
57.89647	0.5
65.45982	0.4
67.05508	22.5
69.03426	0.9
69.07063	3.2
71.04996	100.0
72.93811	0.5
79.05495	8.4
81.07059	29.7
81.68684	0.6
83.04985	1.7
83.08629	3.4
85.06550	3.3
91.05477	5.6
93.07049	14.9
95.04990	1.7
95.08611	15.1
97.06538	3.8
97.10190	1.8
99.04461	0.7
99.08105	1.6
100.11258	4.4
105.04517	0.6
105.07023	2.4
107.08604	7.8
109.06546	1.1
109.10139	2.5
111.08099	2.7
117.07052	3.7
119.08614	1.3
121.06528	1.2
121.10177	2.1
123.08064	1.0
123.11749	0.6
125.09667	1.6
128.06262	1.0
129.07036	1.2
131.08578	5.0
133.10123	4.2
135.08092	1.1
135.11700	10.8
140.67642	0.5
142.07907	0.5
143.08583	2.0
145.10136	1.1
147.11740	0.5
149.05919	0.5
149.09665	0.7
149.13248	6.1
150.01903	0.9
151.11247	0.9
153.06949	0.5
153.09158	0.9
157.10164	1.9
159.11696	7.2
167.07065	2.5
169.38312	0.5
171.11758	1.5
174.08122	0.7
177.05539	1.0
177.12695	3.4
185.13322	1.1
191.14389	0.9
195.13803	2.5
199.14870	0.6
209.11729	0.7
209.15193	2.7
227.03708	0.5
227.07173	1.3
227.10524	1.6
227.12907	1.8
227.15594	3.1
227.18004	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32634	0.9
53.03938	2.0
55.01862	1.4
55.05513	8.4
56.40492	1.0
57.03427	1.3
57.07062	2.9
57.75340	1.0
59.69032	1.2
67.05508	22.4
69.03425	2.4
69.07082	5.9
69.57451	6.4
71.04996	100.0
71.27355	0.9
72.93773	1.7
79.05497	12.1
81.07059	30.0
83.04971	3.1
83.08624	4.7
85.06541	3.7
87.45189	0.9
91.05492	8.6
91.24451	0.8
92.05831	2.5
93.07042	17.2
95.04965	2.7
95.08616	14.0
97.06554	4.5
97.10163	5.4
99.04470	1.6
100.11256	9.3
105.07024	2.9
107.08610	8.8
109.06505	1.5
109.10157	4.3
111.08083	3.1
113.96399	2.3
117.07003	3.8
118.69862	1.3
119.08587	3.0
121.06505	1.8
121.10152	4.2
123.04398	1.2
123.08042	1.4
125.09639	3.8
129.07016	1.0
131.08559	5.0
131.97408	1.5
133.10143	7.2
135.08057	2.9
135.11716	12.0
143.08594	2.3
145.10129	2.4
147.11610	1.2
149.09602	2.7
149.13260	4.9
150.01910	1.1
151.11125	1.6
153.09119	1.6
155.08627	1.0
157.10110	2.4
159.11711	8.4
163.11127	1.3
167.07051	3.7
167.10577	1.1
171.11765	2.0
173.13272	1.5
177.12738	4.4
181.10107	1.5
185.13083	1.2
189.11157	1.3
191.10608	1.7
191.14320	1.2
195.13824	1.6
209.11745	1.4
209.15259	2.3
211.16949	1.1
227.06947	2.0
227.10483	2.1
227.12729	7.0
227.14407	2.1
227.18047	7.5
228.23505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.93457	1.0
51.33353	0.9
55.05514	7.6
55.76013	1.0
57.03440	21.0
57.07068	2.0
59.04987	4.9
63.11208	1.2
65.03926	1.2
67.05508	100.0
69.07059	2.8
70.06579	1.5
71.04974	3.2
71.51691	1.4
71.52115	1.2
81.06672	1.2
81.07064	15.6
83.08620	7.6
85.06538	2.4
91.05487	6.5
93.07030	4.0
95.08601	8.0
107.08548	3.1
109.10163	92.4
110.37155	1.1
111.08068	4.5
119.07952	0.8
119.08588	8.6
125.75780	1.0
137.09618	5.4
155.10680	7.0
173.11749	30.8
229.04970	1.3
229.14308	37.0
229.19377	1.7
229.23373	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.05445	2.1
50.49633	2.0
51.16617	2.0
53.03960	2.5
55.01868	6.1
55.05515	14.6
55.70398	2.3
56.96563	2.4
57.03430	4.1
57.07063	6.9
59.05009	2.2
61.02935	13.4
65.03945	3.8
67.05512	21.1
69.03436	27.0
69.07081	17.5
70.56387	4.5
70.56784	4.3
71.04997	12.9
71.08677	2.2
73.02914	19.2
76.33050	2.2
76.71485	2.2
79.05514	19.4
81.03422	18.2
81.07059	37.7
83.01319	2.0
83.04978	12.0
83.08614	6.4
85.02905	4.9
85.06548	45.5
86.09687	3.3
91.05485	20.0
93.07048	36.9
95.04973	53.8
95.08624	27.7
97.06554	14.0
97.10179	9.8
98.97612	3.1
99.04462	7.0
99.08085	8.4
100.11267	6.0
103.05431	3.1
103.34978	2.4
105.04498	2.5
105.07030	30.9
107.04980	2.8
107.08602	58.1
109.06544	15.7
109.10157	16.0
110.03708	2.4
111.04462	5.2
111.08066	6.4
113.09654	3.5
115.03995	12.0
115.07587	7.4
117.07045	5.5
119.08585	35.2
121.06514	8.4
121.10155	51.8
123.04447	6.5
123.08077	19.7
123.11715	11.1
125.05994	5.7
125.09622	6.4
127.07589	3.3
129.05511	3.6
129.07069	2.5
131.08574	29.6
133.10141	77.2
133.11107	4.8
135.08080	10.7
135.11697	14.9
137.05992	2.6
137.09622	5.3
137.13312	2.9
139.11183	2.3
140.04684	24.3
144.09357	2.8
145.10139	16.2
147.11702	24.2
149.09605	12.7
149.13275	28.4
151.11160	10.6
153.05487	4.1
153.09111	25.1
155.07048	36.0
158.10918	9.4
161.13278	11.2
163.11186	8.6
163.14825	25.0
165.12764	6.8
167.07059	17.2
167.10680	7.7
171.10106	3.3
173.08211	2.7
173.13280	59.4
177.05446	2.4
179.14354	8.2
181.04973	47.7
191.10677	11.7
191.14340	50.5
197.15324	4.4
209.08110	12.5
209.12019	10.5
209.15375	100.0
215.09303	2.6
227.07175	2.7
227.09148	10.5
227.12794	6.2
227.16359	35.0
227.18120	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1645
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03954	2.8
55.01868	3.5
55.05521	14.4
57.03432	3.8
57.07071	3.8
57.75331	1.8
59.05001	2.3
61.02940	3.1
67.05508	15.5
69.03439	3.6
69.06729	3.1
69.07080	32.1
71.03336	5.1
71.05005	21.9
73.02909	3.6
76.78896	2.2
79.05489	10.6
80.83507	1.9
81.07065	37.5
81.95044	2.1
83.04987	12.5
83.08624	8.6
85.02914	3.7
85.06559	20.9
91.05482	17.4
93.07065	32.0
95.04993	19.8
95.08624	25.2
96.28460	2.2
97.06565	12.5
97.10168	2.7
98.97629	2.5
99.04465	33.6
99.08105	13.0
100.11292	10.1
103.05501	5.3
105.07047	60.2
107.04959	4.2
107.08608	30.6
109.06507	6.5
109.10183	21.0
109.34342	2.1
111.08085	7.8
111.11723	4.5
113.09639	2.7
115.05486	2.0
117.07022	3.9
119.05007	2.7
119.08604	67.9
121.06504	9.2
121.10161	31.0
123.04400	4.3
123.08066	5.6
123.11710	6.7
125.09669	6.2
127.07569	3.1
127.11198	2.9
131.08611	25.1
133.10152	100.0
135.08072	7.0
135.11693	8.4
137.05994	3.4
137.09590	2.7
140.04671	2.2
143.08588	4.6
144.09267	2.1
145.10133	14.4
147.11678	9.2
149.05986	7.3
149.09631	8.2
149.13266	12.5
151.11214	10.7
153.09135	5.5
155.07048	6.0
158.10851	4.3
161.13283	80.7
163.11191	3.4
163.14857	8.2
167.07080	50.6
167.80612	2.0
169.08621	5.7
171.08145	2.7
171.10046	2.4
171.11740	3.7
173.13295	60.2
177.05537	14.5
179.14307	16.1
181.05014	2.9
181.12233	2.6
191.14351	41.5
197.15378	4.5
209.08144	6.6
209.11560	2.9
209.15363	48.4
227.07047	3.8
227.10612	5.8
227.12679	3.8
227.16115	10.0
227.20029	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	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.43224	0.4
53.03951	1.6
55.01879	0.5
55.05513	3.2
56.02656	1.4
57.03443	0.8
57.07081	0.7
65.03957	0.6
67.05511	18.9
69.07069	3.0
70.76088	0.9
70.76424	0.6
71.05000	100.0
79.05499	7.8
81.07065	27.6
83.04990	1.5
83.08634	2.4
85.06568	2.7
90.80544	0.4
91.05493	3.8
93.07053	14.5
95.04986	0.9
95.08617	15.7
97.06540	3.5
97.10180	0.9
99.04510	0.6
99.08131	1.0
100.11266	0.8
105.07022	2.3
107.08606	5.6
109.06556	1.3
109.10181	2.7
111.08099	2.7
113.06049	1.2
117.07027	2.9
119.08636	1.0
121.06515	1.2
121.10138	2.0
123.08043	0.5
125.09663	0.8
127.07520	0.6
131.08589	3.7
133.10153	4.3
135.08084	1.1
135.11710	10.6
145.10089	0.5
146.80130	0.4
149.09570	0.6
149.13263	6.6
151.11244	0.7
153.94383	0.5
157.10172	0.8
159.11714	8.4
159.13019	0.5
167.07048	2.0
175.14897	0.5
177.12769	3.5
190.27896	0.4
195.13850	2.7
209.15317	2.6
227.07063	1.0
227.10713	1.0
227.12910	1.5
227.16336	0.9
227.18199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03944	2.9
55.01869	4.9
55.05514	23.2
57.03424	2.9
57.07080	11.4
59.05007	2.6
60.56826	2.0
65.03942	3.4
67.05512	24.4
69.03447	4.9
69.07073	27.0
71.04986	26.7
71.05443	4.9
79.05499	36.1
81.07063	46.3
83.04996	10.2
83.08621	16.4
84.04475	2.7
85.06554	17.1
85.67979	2.4
91.05482	20.7
93.07053	69.2
95.04982	23.5
95.08614	32.0
97.06528	17.6
97.10174	9.7
99.04462	17.4
99.08109	10.1
100.11254	13.1
101.06034	4.8
103.05470	5.2
105.07046	29.7
106.04147	2.6
107.04953	7.1
107.08601	84.1
109.06531	23.9
109.10169	43.0
111.04440	7.8
111.08081	10.9
115.05492	2.1
115.07568	6.3
117.07001	15.3
119.08589	33.8
121.06535	20.0
121.10153	65.7
123.04442	8.4
123.08065	12.5
123.11711	10.8
124.05125	2.2
125.05998	15.7
125.09628	18.7
126.51577	2.4
127.07570	4.3
131.04915	4.6
131.08563	23.0
133.10139	74.0
135.08063	17.8
135.11728	11.6
137.05995	7.1
137.09650	3.8
137.13216	3.6
139.07553	13.6
139.11134	6.7
140.04698	3.9
143.08575	3.6
144.01173	3.4
145.10121	10.0
147.11700	12.2
148.05212	8.2
149.06020	20.3
149.09637	14.2
149.13251	10.6
151.03894	4.0
151.11191	12.8
152.04642	2.6
153.05489	5.4
153.09108	14.8
154.12234	3.9
156.63705	2.4
158.10927	5.8
159.04413	3.3
161.13283	24.3
162.92229	2.1
163.03989	2.5
163.11208	4.9
163.14836	65.2
165.05661	2.3
165.12758	2.2
166.06248	3.0
167.07050	100.0
167.10664	11.5
169.12289	3.1
171.10156	3.0
171.14938	4.8
173.13272	59.4
177.05475	27.5
179.14304	9.0
181.15915	3.4
191.14319	68.8
194.05736	9.5
195.06560	14.7
199.11089	1.9
209.08113	31.9
209.11810	3.6
209.15369	63.2
227.05344	2.6
227.09131	7.1
227.12842	2.8
227.16342	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05513	10.5
57.03425	4.9
57.07064	5.3
59.05008	4.3
65.08047	1.8
67.05500	10.0
67.05801	1.7
68.84885	1.6
69.03436	9.0
69.07074	23.8
69.72163	1.6
70.91034	3.7
71.04993	22.8
72.89762	1.7
73.06532	2.0
75.04469	1.7
79.05508	9.4
80.29280	1.5
81.07068	17.7
83.04974	11.8
83.08621	11.1
85.06551	12.0
87.04459	2.6
91.05489	10.3
93.07050	33.1
95.04975	100.0
95.08630	19.4
97.06525	22.6
97.10175	3.0
99.04477	15.1
99.07494	3.2
99.08093	38.3
100.09422	2.2
100.11246	6.0
105.07044	13.6
107.08599	29.8
109.06526	17.1
109.10170	17.0
111.04462	2.2
111.08067	7.4
112.19699	2.3
113.09635	4.3
115.07601	10.1
117.07026	2.1
119.08573	7.4
121.06532	2.1
121.10152	39.9
123.08059	4.1
123.11730	16.6
125.05984	1.9
125.09612	11.2
125.13290	3.1
127.07564	21.2
131.08559	9.1
133.10139	46.4
135.08051	7.0
135.11687	7.1
137.09648	4.4
139.11183	15.5
142.64447	1.6
143.08607	2.0
143.10667	3.1
145.10130	3.1
147.11685	11.8
149.09642	18.4
149.13257	19.8
151.11201	11.5
153.07932	2.9
153.09113	39.7
161.13321	1.6
163.11391	1.7
163.14908	9.6
163.39694	1.8
165.12729	2.7
167.07045	10.0
167.10715	21.7
167.14352	3.5
171.10213	12.8
173.13271	21.8
177.05362	2.6
181.15860	1.8
191.12668	3.0
191.14276	20.3
195.06700	1.8
209.08147	2.3
209.15373	25.9
227.16432	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05505	5.9
57.03425	5.4
57.07059	4.0
58.60373	2.4
59.04996	5.7
59.89818	1.9
67.05498	7.6
68.54700	1.9
69.03414	2.2
69.07054	8.5
70.63428	6.0
71.04996	24.8
79.05482	6.9
81.07063	17.2
83.04989	4.4
83.08606	5.0
85.06543	11.6
91.05456	7.2
93.07058	25.3
95.04978	100.0
95.08615	17.6
97.06539	18.8
97.10197	4.1
99.04456	27.8
99.07616	1.8
99.08110	23.9
100.11246	5.0
101.00811	2.3
101.65223	2.3
103.26532	2.1
105.07050	12.7
107.04968	2.2
107.08608	28.0
109.06510	20.5
109.10149	12.8
111.08057	10.2
111.78368	2.1
113.05962	2.8
113.09631	2.4
115.07539	6.7
119.08576	9.6
121.06502	3.8
121.10149	35.5
123.08058	5.6
123.11681	7.9
125.09621	11.6
127.07581	12.2
131.08549	7.9
133.10130	37.8
135.08028	7.5
135.11751	9.6
137.09602	5.7
139.11154	11.8
143.01843	2.1
143.10637	7.0
145.10141	2.9
147.11691	8.9
149.13257	13.9
151.11194	8.8
153.09126	34.7
161.02937	2.3
161.13197	3.6
163.11194	2.0
163.14772	4.9
164.44307	2.3
167.07076	18.0
171.10138	13.3
173.13274	17.3
177.05424	3.4
181.04956	2.6
191.14331	13.0
209.08026	2.5
209.15361	28.4
218.08878	2.6
227.14201	3.7
227.16399	72.8
227.18535	4.3
237.55182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1646
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.88624	1.2
55.01882	1.5
55.05520	18.3
57.03437	3.9
57.07072	2.4
58.77244	1.0
59.04994	1.0
61.02698	0.9
61.02939	9.4
62.54041	0.9
65.03955	1.3
67.05515	7.3
69.03148	1.0
69.03442	11.1
69.07085	7.0
69.76863	3.4
69.77275	1.5
71.05009	4.7
79.05508	9.2
81.03439	7.5
81.07069	12.1
83.04980	3.4
83.08633	11.3
85.06560	19.6
86.09721	2.7
90.13649	0.9
91.05508	9.2
91.75236	0.9
93.07055	18.3
95.04993	16.0
95.08062	1.2
95.08628	13.7
97.06547	6.3
97.10183	1.6
98.20756	1.4
99.04466	1.9
99.08099	2.0
100.11275	100.0
103.05484	1.9
105.07051	15.3
106.04169	0.9
107.04981	1.4
107.08615	20.1
109.06529	8.1
109.10169	9.1
111.04397	1.3
111.08092	2.6
113.09651	2.7
115.03983	1.0
117.07056	1.8
119.08608	14.6
121.06553	5.4
121.10165	18.9
122.03672	1.3
123.04428	2.4
123.08093	5.9
123.11716	3.6
125.09642	1.8
131.04938	2.2
131.08595	13.0
133.10158	32.2
134.03674	1.2
135.04408	0.8
135.08105	4.4
135.11707	5.7
137.06000	1.9
137.09639	4.8
139.07597	1.4
139.08620	1.0
139.11201	1.3
140.04726	2.0
143.08568	1.6
145.10144	7.1
147.11696	11.9
149.05992	2.1
149.09715	5.1
149.12193	1.6
149.13278	12.6
150.01883	1.0
151.11214	3.6
153.09157	5.1
155.07074	1.5
158.10928	1.9
159.04456	1.1
161.13275	6.4
163.11163	1.8
163.14867	8.7
165.12753	1.9
167.07066	27.3
171.11911	1.0
173.13307	23.0
177.05524	6.3
179.07292	0.9
179.14404	1.3
181.05029	1.2
191.10745	1.3
191.12689	1.8
191.14349	29.3
209.08087	2.6
209.12178	2.0
209.15173	47.6
227.17842	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03954	3.7
55.01666	0.7
55.01875	7.3
55.05514	14.0
56.12264	0.8
57.03429	2.6
57.07069	1.5
58.51659	0.7
65.03916	1.7
67.05190	1.0
67.05508	16.9
69.03420	3.4
69.07070	12.2
71.04994	5.2
71.52231	0.9
73.02892	2.3
76.63910	0.8
78.04682	1.2
79.05498	26.2
79.05970	1.2
81.03403	2.7
81.07063	21.3
83.04987	4.8
83.08625	11.3
85.02906	1.7
85.06529	3.5
88.57372	0.7
91.05489	14.1
93.07050	40.4
95.04974	8.5
95.08614	44.7
97.02904	4.7
97.06516	5.5
97.10180	1.6
99.04453	5.8
99.08077	1.3
100.11263	6.9
103.05482	6.3
105.07051	8.7
106.04155	2.1
107.04969	13.3
107.08601	27.7
109.06519	2.9
109.10168	5.4
111.04431	2.3
111.08111	2.1
113.06042	0.8
117.03348	1.1
117.07027	9.1
119.04923	1.6
119.08585	10.7
121.05665	1.2
121.06519	16.4
121.09341	1.2
121.10148	15.1
122.03588	1.0
123.04464	5.3
123.08089	2.0
123.11696	1.5
124.05186	2.4
125.06016	4.9
125.09644	1.2
127.07561	1.2
129.06996	0.9
130.07750	2.2
131.04918	3.8
131.08540	3.1
133.02844	1.2
133.06552	0.9
133.10127	3.9
134.03613	1.5
135.04430	0.8
135.08060	2.9
135.11700	49.6
137.05974	7.5
139.07585	1.7
139.11168	1.2
140.04663	3.2
143.08595	1.7
145.02786	1.1
145.10130	27.1
147.04404	1.0
148.05090	1.0
149.05998	11.7
149.09644	1.7
149.13216	1.0
150.01897	0.8
151.03908	0.9
151.11194	1.9
152.04684	1.3
153.09065	1.0
155.07039	2.3
157.10144	1.8
159.04379	3.5
163.03999	0.9
163.11189	66.4
163.14836	1.5
165.05399	1.2
167.07050	85.5
171.11684	2.7
173.09631	1.0
175.22743	0.8
177.05482	25.3
181.04959	1.7
181.08534	1.9
181.10007	0.8
181.10443	0.9
181.12234	16.6
185.13281	1.1
191.07069	1.0
191.10663	2.2
191.14325	2.1
191.17885	1.3
199.07645	0.9
209.06230	1.4
209.08018	8.2
209.09882	1.1
209.11772	3.4
209.15324	1.5
217.18979	0.7
227.06946	2.2
227.12769	100.0
227.17754	5.2
228.13219	1.4
228.86700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01888	2.6
55.05504	4.0
57.03424	1.6
57.07075	4.4
62.94613	1.2
65.03946	2.1
67.05514	23.5
69.03424	2.4
69.07065	4.9
70.95100	2.7
70.95451	1.1
71.04999	15.9
79.05502	23.8
81.03429	2.0
81.07059	4.8
83.05013	5.9
84.45467	1.1
85.06551	100.0
91.05479	13.9
93.07050	22.3
94.23692	1.0
95.04981	4.8
95.08596	2.0
97.06532	3.7
99.08086	5.7
103.05448	1.4
105.07045	13.9
107.04966	9.1
107.08604	27.4
109.06511	6.0
109.10141	1.4
111.04458	12.6
117.07029	5.2
119.08584	14.7
121.06511	13.2
121.10147	18.8
121.10935	1.9
123.04420	1.6
123.08047	1.7
125.06019	6.2
125.09707	1.7
128.81592	1.1
129.06998	4.9
131.08578	57.5
133.10094	1.5
135.08044	2.2
135.11697	4.8
135.88739	1.1
137.09607	5.3
139.07585	1.4
145.06511	1.5
145.10132	22.2
145.84561	1.2
147.08055	4.9
149.05978	3.4
149.09634	60.8
151.11162	3.4
153.05504	3.2
155.07007	1.5
155.08565	1.9
163.07571	2.4
163.11212	23.1
165.09117	8.8
167.07083	6.5
167.10686	30.2
173.09630	7.0
177.05492	1.9
179.10669	1.7
191.10692	55.4
193.35548	1.1
197.11736	2.2
209.11755	52.9
210.37299	1.1
219.85097	1.1
227.12808	27.3
247.81163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.59785	1.4
53.03938	1.9
55.01858	4.7
55.05517	22.1
57.03426	4.3
57.07085	8.6
59.05018	1.6
65.48869	1.8
67.05183	1.9
67.05508	29.7
68.34415	1.5
69.03428	6.0
69.07072	17.2
70.63271	3.6
70.63602	1.8
71.05000	25.0
73.02866	2.4
79.05498	38.7
81.07064	24.4
82.00375	1.7
83.04990	16.0
83.08630	9.1
85.02885	3.1
85.06549	100.0
87.04475	2.3
87.71133	1.5
90.93259	1.6
91.05490	23.4
93.03407	1.7
93.07055	42.3
95.04980	17.4
95.08624	19.1
95.89878	1.7
97.06538	36.2
97.10180	5.4
98.21365	2.1
98.97618	2.4
99.04461	14.6
99.08112	11.9
100.11275	16.3
101.06013	4.1
103.05453	2.1
105.07047	25.6
107.04962	16.0
107.08603	67.4
109.06532	12.1
109.10178	14.4
111.04459	15.1
111.08067	4.7
113.05991	2.7
115.05509	1.7
115.07590	2.0
117.07049	7.5
119.08588	25.9
121.06514	22.2
121.10149	50.2
123.04420	6.1
123.08054	6.7
123.11731	8.9
125.06005	15.0
125.09612	11.4
127.07528	2.6
129.06998	5.1
131.04913	2.2
131.08583	62.1
133.10159	12.7
135.04430	2.3
135.08083	9.1
135.11691	12.4
137.05942	4.5
137.09634	11.3
137.13295	1.7
139.07542	7.1
139.11194	3.8
140.04648	4.1
142.12267	1.7
145.06476	2.3
145.10141	26.7
147.08058	4.8
147.11684	7.4
148.05193	4.2
149.06006	11.9
149.09631	70.9
149.13245	5.4
151.07567	2.1
151.11201	10.0
153.05466	3.8
153.07034	1.8
153.09123	10.0
155.07040	3.9
159.04425	1.9
159.15042	2.4
162.04337	1.7
163.07541	3.3
163.11186	27.6
163.14839	34.7
165.09079	8.9
167.05652	3.2
167.07057	51.9
167.09326	3.4
167.10692	39.7
168.13919	1.8
173.09648	7.1
173.13274	10.1
177.05457	16.3
177.78915	1.6
179.10625	2.2
179.14320	2.0
181.06352	1.8
183.13835	4.4
185.16415	2.0
191.10684	57.0
191.14310	24.7
194.05768	3.2
195.06474	4.5
197.11742	2.2
198.06923	1.8
209.08109	16.3
209.09737	2.9
209.11752	54.7
209.15277	24.2
217.38702	1.5
227.07123	2.2
227.10612	3.7
227.12772	31.8
227.16133	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	1.4
54.56611	0.6
55.01870	1.1
55.05517	2.5
56.78559	0.5
57.03426	0.6
57.07063	1.4
61.76760	0.5
67.05505	2.9
69.03439	3.8
69.07079	3.5
70.93370	0.5
70.93693	0.8
71.05003	2.6
71.53664	0.5
73.02914	1.5
78.04712	2.4
79.05494	5.3
81.03426	1.2
81.07053	4.5
83.04978	2.1
83.08622	1.4
85.02890	0.7
85.06553	4.6
86.09713	0.8
89.03921	0.8
91.05487	8.2
93.03387	0.5
93.07047	8.1
95.04378	0.9
95.04977	12.2
95.08595	3.0
97.02872	1.0
97.06544	2.8
97.10188	1.2
98.97569	0.5
98.98473	1.8
99.04452	1.1
99.08098	3.7
100.11269	2.9
103.05490	5.9
105.04520	0.7
105.07044	3.9
106.04166	2.3
107.04961	3.5
107.08605	4.7
109.06536	3.3
109.10143	2.1
110.97613	0.5
111.04477	0.8
111.08076	1.4
115.03953	1.9
115.07611	0.7
117.03373	1.4
119.04938	1.5
119.08611	2.6
121.06514	12.0
121.10152	7.1
121.23719	0.5
123.04446	5.7
123.08080	1.2
123.11707	2.0
123.64632	0.5
124.05241	1.7
125.05942	0.7
125.09626	1.3
127.07543	1.0
131.04936	5.6
131.08598	3.4
133.02841	1.1
133.10141	3.8
134.03679	2.4
135.04424	1.9
135.08084	1.4
135.11711	1.7
137.05025	0.7
137.05980	8.6
137.09615	1.4
137.13194	0.5
139.11229	1.2
140.04700	2.8
145.02818	0.8
145.10153	1.7
147.04391	0.8
147.11684	1.1
148.05194	1.9
149.05995	15.1
149.09642	2.4
149.13251	1.6
151.03909	1.2
151.11208	1.9
151.59583	0.5
152.04683	2.0
153.05521	0.8
153.09134	3.7
155.07021	2.9
159.04407	2.7
163.03915	0.7
163.07581	0.6
163.11237	1.2
163.14838	1.3
165.05492	0.6
166.06377	0.6
167.07051	100.0
168.07349	0.7
171.10141	1.1
173.13287	2.9
177.05486	29.1
181.04938	1.5
181.08606	1.5
191.06982	1.3
191.10684	2.4
191.14323	4.1
194.05807	1.1
195.06548	0.7
197.08238	0.5
209.08107	9.7
209.11656	2.4
209.15359	4.0
227.09143	2.1
227.12764	1.2
227.16333	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	227.0916
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
50.98592	0.8
53.03953	1.8
55.01881	6.0
55.05508	2.0
57.03426	1.5
57.07069	3.2
63.26753	0.8
64.28802	0.9
65.03941	6.6
67.05518	7.4
68.06066	0.9
69.03426	3.0
69.07082	4.9
69.97948	4.2
71.04998	8.2
73.02927	41.3
77.01603	1.0
79.05514	6.1
81.07064	8.4
82.00539	1.1
82.04228	2.5
83.05002	2.7
85.02914	5.4
85.06551	14.7
91.05498	6.6
91.68678	1.0
93.03394	2.4
93.07054	10.6
95.04984	30.0
95.08617	5.4
97.06546	10.3
97.10180	0.9
98.21524	1.6
99.04444	4.6
99.08116	8.4
100.11275	3.0
103.05460	1.0
105.04549	0.9
105.07040	5.8
107.04948	2.8
107.08604	11.7
107.09335	1.4
108.02078	1.6
109.06527	4.2
109.10166	2.9
110.03673	3.6
111.04446	2.5
111.08112	1.9
115.07580	4.7
117.07046	1.3
119.08627	5.1
121.06523	4.1
121.10155	14.6
123.04456	11.0
123.08073	1.6
123.11732	3.9
125.02348	2.5
125.05999	4.1
125.09645	3.2
127.07573	5.2
131.08582	10.1
133.10144	12.3
135.08046	1.1
135.11716	2.9
137.09627	1.5
138.03127	2.4
139.11160	3.8
140.04706	53.0
142.02608	2.8
145.10161	4.7
147.11722	1.6
149.05998	1.6
149.09631	9.9
149.13277	3.6
151.11214	3.7
153.05510	3.6
153.09097	9.7
155.07050	79.0
163.11195	2.8
163.14838	1.8
165.09218	2.0
165.12788	1.0
167.07085	13.2
167.10678	5.7
171.06558	3.6
171.07944	0.9
171.10162	2.5
173.08205	2.3
173.09596	1.3
173.13240	4.6
177.05560	1.8
179.07056	2.1
181.04974	100.0
181.08388	4.4
191.10690	8.0
191.14308	6.7
209.08116	25.9
209.11717	9.5
209.15305	8.1
227.07159	1.1
227.09148	28.8
227.12610	4.8
227.16319	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	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01875	2.5
55.05515	18.8
57.03437	3.0
57.07068	4.4
63.90956	1.5
67.05511	11.2
68.99794	9.8
69.03445	4.3
69.07072	9.5
69.91213	6.1
71.04991	6.0
73.02921	2.2
78.04696	3.2
78.72983	1.6
79.05497	11.8
81.03444	1.9
81.07063	22.0
83.04971	5.2
83.08143	2.9
83.08620	32.7
85.06547	6.1
85.10175	5.9
87.41589	1.7
91.05489	29.2
93.06486	1.9
93.07056	19.5
93.42653	1.9
95.04975	34.8
95.08612	7.4
97.00005	1.5
97.06522	4.2
98.97572	2.7
99.04451	3.6
99.08066	2.2
100.11258	8.5
101.02398	7.8
103.05469	6.1
105.07035	5.5
106.04220	2.6
107.04969	5.9
107.07887	2.9
107.08604	53.8
109.06532	27.2
109.10159	14.0
111.04451	5.6
111.08089	91.6
117.03394	2.0
117.05409	1.6
117.07047	1.8
119.03433	3.8
119.04990	2.8
119.08571	6.0
121.06496	11.6
121.10157	9.2
123.04455	6.1
123.08055	4.0
123.11710	4.7
124.05218	2.1
125.09645	17.3
127.07552	5.0
131.04890	4.2
131.08560	4.0
133.10138	5.7
134.03688	2.6
135.08052	17.3
135.11693	5.0
137.06003	17.0
139.11229	2.7
140.04703	1.8
141.07024	2.0
141.09074	2.4
143.08572	3.2
143.10677	2.0
145.10121	6.0
147.04396	1.7
147.11685	1.9
149.06003	14.0
149.09631	11.3
149.13290	2.5
151.07578	3.8
151.11156	2.7
152.04774	2.0
153.07930	3.3
153.09120	58.2
155.07005	8.6
157.10138	3.9
159.04413	6.5
163.11206	5.6
163.14833	2.0
167.07057	100.0
167.10689	5.5
169.08614	76.8
171.11684	3.1
173.09731	2.1
173.13274	3.7
177.05481	24.4
177.09085	4.0
181.05000	4.2
181.12189	1.8
185.11731	23.8
185.13228	3.1
191.07077	1.7
191.10698	6.5
191.14276	4.2
195.10184	62.9
209.08055	12.3
209.09840	1.6
209.11749	5.1
209.15276	8.4
223.49451	1.6
227.06979	6.8
227.10556	6.4
227.12807	5.8
227.14618	2.6
227.18097	7.7
227.19818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01873	1.9
55.05504	4.9
55.13682	1.7
55.96154	1.5
57.03434	2.4
57.07071	5.8
59.04993	3.5
62.71719	1.5
66.74505	1.4
67.05511	7.6
69.03417	3.7
69.07069	9.4
71.04996	44.2
79.05502	5.7
81.03413	2.5
81.07062	13.4
83.04985	7.1
83.08633	11.8
85.02902	4.6
85.06581	2.6
86.22484	1.5
91.05482	12.6
93.07036	9.2
95.04964	6.1
95.08627	15.8
96.57310	1.3
97.02906	2.4
97.06532	19.9
98.97596	3.0
99.04459	100.0
99.08096	3.1
105.03361	2.1
105.07027	13.5
107.04978	3.3
107.08603	43.8
109.06519	25.8
109.10148	5.5
111.08073	4.5
111.11687	1.5
113.06013	2.1
113.09682	4.0
119.04929	8.1
119.08589	10.5
121.06500	2.4
121.10166	19.7
123.08082	24.1
123.11715	18.4
125.06015	3.3
125.09610	7.9
131.08572	1.6
132.02069	2.0
133.02850	2.0
133.06483	1.7
133.10126	5.9
135.11691	3.5
137.05937	3.3
137.09612	2.6
137.13217	1.8
139.11206	3.8
141.12730	2.5
144.57909	1.7
147.04407	5.6
147.11656	11.2
149.09622	14.8
151.07570	3.4
153.07025	3.2
157.04024	1.8
161.09549	2.3
161.13275	10.1
163.03871	1.7
163.11295	2.1
165.05519	1.8
165.12729	15.6
165.13745	1.5
167.07104	2.3
167.10680	34.1
167.12091	2.1
171.11682	2.1
175.03886	14.3
179.07065	2.7
179.14336	6.7
180.04182	3.1
181.06473	3.9
183.13824	44.2
183.15378	3.3
184.20456	1.6
189.12747	9.2
192.04192	3.8
207.06522	23.8
207.13786	13.6
225.07378	2.3
225.09166	4.3
225.14830	28.6
244.10066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.02180	0.7
51.03329	0.7
53.03926	0.7
55.05513	4.5
57.03456	0.9
57.07082	1.1
59.04988	1.3
64.69961	0.7
65.03964	0.9
67.05495	2.2
69.07082	2.1
70.04075	2.2
70.33072	2.6
71.04999	35.2
71.72018	0.6
79.05488	3.2
81.03420	1.1
81.07068	6.7
81.10185	0.7
83.04974	3.4
83.08625	7.7
85.02908	2.2
85.06542	1.4
91.05482	8.2
93.07026	3.4
95.04968	1.7
95.08612	6.4
97.06528	2.6
97.10159	0.7
99.04462	100.0
105.03400	1.6
105.07047	5.2
107.08601	33.3
109.06525	21.8
109.10185	2.4
113.09644	4.9
119.04927	5.5
119.08607	3.3
121.10149	10.6
123.08074	17.5
123.11714	13.9
125.06040	1.5
125.09653	7.3
131.08586	1.5
133.10168	1.1
137.06006	1.3
137.09604	1.4
139.11211	1.9
141.12715	1.6
147.04446	4.4
147.11707	5.5
149.09631	10.6
151.07608	1.5
151.11208	1.2
158.91048	0.8
161.09683	0.8
161.13297	0.9
163.11278	1.0
164.04700	0.7
165.01920	0.7
165.05518	1.4
165.07007	0.8
165.12766	11.0
167.07077	0.8
167.10690	27.0
171.05632	0.8
175.03937	7.7
180.04208	1.1
183.13814	30.5
189.12755	3.6
192.04228	2.3
207.06540	9.9
207.13873	4.1
225.05655	0.9
225.09238	2.0
225.11426	0.9
225.14844	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	225.1488
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03952	4.0
55.01865	4.2
55.05511	17.0
57.03417	3.7
57.07058	4.4
59.04996	4.1
65.03931	3.9
67.05513	11.4
69.03442	12.0
69.07053	7.2
69.47514	5.1
69.47925	6.4
71.05005	10.6
73.21362	1.7
77.03896	2.6
79.05492	16.7
81.03421	3.2
81.06662	2.1
81.07068	28.5
83.04990	100.0
83.08602	5.0
84.08179	1.8
85.02919	20.8
85.06562	3.7
91.05492	45.7
93.07050	25.3
95.04978	22.7
95.08625	20.8
97.02879	2.4
97.06559	12.4
97.10150	3.3
99.04454	16.0
99.08088	4.0
103.05457	2.7
105.03398	6.7
105.06400	2.8
105.07043	30.7
107.04958	5.9
107.08611	39.6
109.06530	41.0
109.10165	16.9
111.08052	3.6
118.04153	4.0
119.04963	37.6
119.08596	29.2
120.08078	2.0
121.02869	1.9
121.06514	4.6
121.09341	3.4
121.10157	46.2
123.04437	5.9
123.08085	35.1
123.11729	14.8
125.06008	29.1
125.09624	3.4
131.08554	5.3
132.02104	2.2
133.02852	2.2
133.06505	3.7
133.10091	11.0
135.04445	3.8
135.08023	5.5
135.11668	5.1
136.05121	1.6
137.05965	8.2
137.09593	11.5
137.13251	2.1
139.07550	4.7
141.09123	3.8
143.08563	4.3
145.10158	5.9
147.04419	33.5
147.07996	3.2
147.11693	15.3
148.04958	1.6
149.02338	6.1
149.09627	33.3
151.03979	2.4
151.07561	45.0
151.11205	3.3
155.07028	12.4
156.09357	3.0
157.03989	4.9
159.11717	7.1
161.09612	2.7
161.13277	27.0
163.03889	4.1
163.11189	16.2
164.04706	3.9
165.01842	4.7
165.05437	3.3
165.09113	3.6
165.12764	36.7
167.06966	2.7
167.10674	17.0
169.08661	3.4
171.11702	5.5
175.03932	56.5
176.10672	3.3
177.01793	2.7
177.12712	4.3
179.07024	4.5
179.14330	10.5
180.04173	7.5
181.12233	5.3
183.06532	4.6
183.13823	9.9
189.12805	20.0
192.04153	22.4
193.04944	4.0
194.11742	3.3
195.06581	1.9
207.06544	87.8
207.13791	31.9
225.07489	6.4
225.09172	5.4
225.11211	4.2
225.14861	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.01860	0.9
55.05516	5.4
56.96542	1.1
57.03437	1.5
57.07071	1.3
65.03925	1.2
67.05499	2.5
69.03445	1.5
69.07077	2.1
70.59869	2.6
71.04997	36.6
72.93786	0.8
79.05496	4.2
81.03415	2.1
81.07063	6.0
83.04969	3.2
83.08623	6.3
85.02907	2.6
85.06553	1.6
85.41583	0.7
90.02503	0.8
91.05485	12.0
93.07025	4.2
95.04967	3.3
95.08619	8.5
97.06558	2.1
99.04462	100.0
103.14247	0.8
105.03400	3.2
105.07036	5.2
107.04943	1.5
107.08601	34.7
109.05806	1.4
109.06526	21.0
109.10167	4.9
113.09658	6.0
119.04936	6.9
119.08596	1.7
121.10158	9.7
123.04445	1.1
123.08081	17.7
123.11718	13.5
125.06001	1.6
125.09631	7.9
131.08595	1.4
133.10133	1.4
133.99519	0.7
135.04391	0.9
137.09644	1.7
137.13229	1.2
139.11201	1.8
141.12740	2.4
147.04437	6.9
147.11708	6.8
149.02373	1.2
149.09636	11.0
151.03938	1.2
151.07568	1.7
151.11134	1.4
157.03951	0.9
161.13249	1.8
163.03853	0.9
163.11214	1.5
164.04681	1.3
165.05444	1.0
165.09151	0.8
165.12755	12.7
166.62041	0.8
167.07022	1.3
167.10695	30.2
171.11678	1.0
175.03931	12.1
179.14368	0.9
180.04173	1.2
183.12167	1.6
183.13824	32.5
189.12822	4.4
192.04147	3.8
193.05019	1.0
207.06522	19.2
207.13834	4.6
211.41856	0.8
225.09209	1.9
225.13200	0.7
225.14850	20.4
225.16872	1.2
242.08784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.81045	3.8
53.03932	9.1
55.05508	24.7
57.03421	8.4
59.04993	3.8
65.49540	3.6
67.05503	24.4
67.98054	3.2
69.03436	28.0
69.07069	17.3
71.05004	28.0
71.24236	6.9
79.05507	33.9
81.07066	42.9
83.04985	18.5
83.08623	10.9
83.44463	3.2
85.02905	12.6
85.06529	3.7
91.05492	48.8
93.06490	4.7
93.07053	76.4
95.04987	18.3
95.08616	37.8
97.02836	3.0
97.06528	10.8
98.21118	5.0
99.04464	52.7
99.08072	5.2
103.05491	4.2
104.53706	3.4
105.03407	9.2
105.07037	55.1
107.04953	5.5
107.07871	6.3
107.08598	100.0
109.06510	36.6
109.10148	26.8
111.08107	3.8
115.05461	4.0
117.07024	9.2
119.04971	19.0
119.08595	64.3
121.06528	39.6
121.10155	81.8
122.07297	3.3
123.04441	6.5
123.08067	84.6
123.11693	16.6
125.05972	11.7
125.09648	6.9
127.73806	3.6
130.07817	5.5
131.08554	11.4
133.06464	6.6
133.10146	22.8
135.08067	72.5
135.11697	50.8
137.05954	8.9
137.09630	49.2
137.13234	5.0
143.08597	6.5
145.06506	4.0
145.10127	24.9
147.04388	13.4
147.08051	37.4
147.11708	24.8
149.09628	38.7
151.07523	12.7
151.11168	12.3
152.42587	3.2
156.09351	6.6
159.11720	6.4
161.09604	7.6
161.13249	26.6
163.11192	59.0
165.05423	10.6
165.07793	6.1
165.09117	81.8
165.12805	15.2
167.07048	3.3
167.10716	23.5
171.11661	9.7
174.10446	3.3
175.03923	13.7
177.12775	10.1
179.07092	5.0
179.10748	7.1
179.14326	9.9
180.04228	9.9
181.12247	40.6
183.13800	13.4
189.12717	27.5
192.04182	8.2
193.04926	4.4
195.13667	3.4
207.06544	33.3
207.13818	48.4
222.97127	3.8
225.07297	4.9
225.09151	12.3
225.14857	31.3
225.19345	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	223.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05508	0.7
57.07077	2.9
65.03934	1.9
67.05511	1.6
69.03447	0.4
69.07066	1.6
69.50258	1.1
69.50664	0.6
71.05004	0.4
79.05479	1.2
81.03417	0.7
81.07053	2.4
83.04971	0.6
83.08627	0.5
85.06538	0.4
91.05476	1.1
93.03421	0.5
93.07064	1.6
95.04955	1.7
95.08614	1.8
97.02910	0.9
97.06526	0.6
98.98521	0.3
105.07037	0.9
107.04981	0.8
107.08606	1.8
109.06507	0.5
109.10127	0.3
111.04447	0.5
111.08100	0.4
117.07006	0.9
119.08564	0.9
121.02875	7.9
121.03975	1.7
121.06525	0.7
121.10152	1.3
123.08079	0.8
125.05954	0.3
126.01049	0.3
131.08536	0.4
133.10162	0.3
135.08025	0.3
135.11696	1.2
137.09636	0.4
145.06519	0.7
145.10130	0.5
147.08112	0.3
149.02351	100.0
149.13307	0.7
150.02803	0.5
159.11687	1.4
162.03189	0.3
163.03842	0.5
163.11198	1.2
165.09119	0.3
167.03412	0.8
167.07005	0.7
177.12802	0.7
177.16443	0.3
181.12262	0.6
187.11171	0.4
187.14822	0.5
190.02621	0.5
190.05022	0.5
195.08086	0.3
196.05626	0.3
205.12251	1.2
205.15897	0.4
208.03677	0.4
223.05824	2.3
223.07866	0.6
223.11212	1.2
223.13321	2.8
223.16942	0.7
223.20630	0.5
225.04291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0967
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
53.03956	0.5
55.01890	0.5
55.05522	1.6
57.03445	0.3
57.07081	6.9
57.07342	0.4
59.05051	0.2
65.03934	1.5
67.05508	3.1
69.03452	0.3
69.07068	1.5
70.54659	0.2
77.45542	0.2
79.05499	2.3
81.03425	2.2
81.07068	4.0
83.05002	2.1
83.08217	0.2
83.08646	1.1
85.02929	1.0
85.06554	0.3
91.05489	2.6
93.03441	0.7
93.07047	2.4
94.04192	0.2
95.04976	3.0
95.08610	1.9
97.06544	0.7
99.08118	0.4
105.07042	1.3
107.04979	1.2
107.08616	1.3
109.02893	0.3
109.06554	0.8
109.10178	0.8
111.04464	0.9
111.08135	0.4
117.07025	1.2
119.08594	0.7
121.02889	6.1
121.03983	1.2
121.06513	0.7
121.10145	1.1
123.08079	0.7
125.06032	0.4
129.06998	0.5
131.08560	1.5
133.10123	0.6
135.08075	0.6
135.11717	0.9
137.05902	0.2
137.09619	0.3
145.06512	0.4
145.10071	0.5
149.02356	100.0
149.13330	0.3
150.02679	0.7
153.05450	0.3
159.11679	1.3
163.03931	0.3
163.11194	0.9
167.03435	2.3
167.07118	0.5
169.10243	0.3
177.05450	0.7
177.12799	1.3
187.11189	0.8
190.05008	0.6
195.07994	0.3
205.12259	2.0
223.05823	1.2
223.07822	0.4
223.11310	0.8
223.13271	12.7
223.16875	0.5
225.04245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03923	6.5
54.47493	2.1
55.01851	2.0
55.05490	9.7
56.96566	2.6
57.03422	2.5
57.07052	3.3
58.00755	2.5
67.05508	40.9
69.03428	2.4
69.07088	10.4
71.04971	6.5
71.52184	3.7
71.52534	2.2
78.99133	2.0
79.05497	16.1
81.03424	92.8
81.07063	22.5
83.04972	6.7
83.08590	4.7
85.02883	3.0
85.06522	3.4
91.05479	18.9
93.06466	2.8
93.07034	24.8
95.04387	3.8
95.04972	62.4
95.08616	28.0
97.06527	3.5
98.98436	2.2
105.03372	3.9
105.07053	13.6
107.04968	11.2
107.08594	14.5
109.06505	8.9
109.10139	8.2
111.08044	6.1
117.07030	14.9
118.10304	1.9
119.08603	10.5
120.46831	2.2
121.02834	3.1
121.06522	14.4
121.10136	13.9
123.08029	5.4
124.79522	2.1
125.06034	3.7
131.08577	15.8
133.10147	6.7
135.08037	5.8
135.11664	7.2
137.05927	2.9
137.09642	5.1
139.07500	4.5
141.06972	3.7
143.08493	2.1
145.06451	5.9
145.10133	15.1
149.02356	42.8
149.09608	5.7
149.13284	3.8
153.05414	2.7
159.11707	24.7
161.09660	3.5
162.03047	3.1
163.03876	2.4
163.11215	10.5
165.06889	4.2
167.07068	2.7
167.08456	2.5
169.10086	8.3
177.05490	3.2
177.12799	13.0
181.10103	2.8
187.11188	15.8
187.14877	2.3
190.02565	3.7
193.03581	2.4
193.10162	3.0
205.10370	3.1
205.12253	15.1
205.15689	2.5
209.01050	2.5
223.05829	12.5
223.07593	5.6
223.11272	7.7
223.13260	100.0
223.16898	9.6
223.20503	3.8
225.04309	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	223.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75301	3.2
52.72507	3.7
53.91253	2.8
55.05271	4.4
55.05519	55.3
57.07083	35.5
67.05505	4.1
68.04424	3.0
69.07074	100.0
71.08641	15.5
81.07077	5.2
83.08625	68.6
85.10191	9.0
95.37766	3.2
97.10188	54.9
101.22553	3.4
107.08581	3.1
111.11715	23.4
117.98508	3.0
120.04489	11.3
122.53870	3.0
125.13294	4.2
127.83253	3.3
135.04552	3.2
144.75635	3.0
149.02377	13.2
163.09801	4.5
223.10901	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	223.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.83282	0.3
55.01878	0.4
55.05511	0.8
57.07079	6.4
65.03955	1.6
67.05500	1.7
69.03423	0.6
69.07063	1.1
70.06596	0.3
71.05012	0.4
71.49130	0.5
79.05492	1.3
81.03413	0.8
81.07063	2.0
83.04971	0.8
83.08624	0.5
85.06535	0.3
90.44218	0.3
91.05473	1.5
93.03389	0.8
93.07051	1.8
95.04976	1.2
95.08607	2.0
97.06545	0.7
99.08151	0.4
105.07041	1.1
107.04970	0.8
107.08601	2.1
109.06532	1.1
109.10162	1.3
109.89429	0.3
111.04486	0.5
111.08065	0.4
115.05450	0.5
117.07043	0.8
119.04995	0.3
119.08578	0.9
121.02876	6.6
121.03984	1.0
121.06515	0.7
121.10152	1.6
123.08099	0.5
123.11733	0.6
125.05989	0.5
125.09628	0.4
131.08574	0.5
133.10191	0.4
135.04482	0.4
135.08089	0.5
135.11685	0.8
137.09625	0.6
139.07515	0.4
145.06487	0.6
145.10153	1.0
147.11674	0.6
149.02354	100.0
149.09651	0.5
149.13298	0.7
153.01785	0.3
154.06758	0.3
159.11713	1.0
162.01321	0.7
163.03932	0.5
163.07515	0.4
163.11154	1.3
163.14742	0.3
167.03412	1.9
167.04680	0.5
167.07124	0.4
177.05502	0.6
177.12753	0.6
181.10062	0.3
187.11125	0.3
190.00812	0.4
190.04994	0.4
205.12279	1.2
205.15846	0.4
208.03712	0.4
223.04240	1.8
223.05975	2.2
223.09442	0.6
223.11255	0.7
223.13121	2.3
223.16884	2.3
225.04321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26900	1.7
70.90929	1.3
70.91309	3.7
74.15459	1.7
82.99846	8.6
85.11285	1.4
101.00208	1.9
101.00890	72.8
119.01934	100.0
119.67080	1.9
120.02006	1.7
124.02457	11.8
137.02983	9.4
140.22017	1.7
140.98865	2.9
142.03520	62.1
158.99864	8.0
160.04623	9.2
161.02971	35.2
177.00970	23.7
179.04027	32.2
184.04626	5.9
187.99254	3.6
190.49522	7.6
199.50087	18.7
200.00233	2.3
201.00990	3.3
202.00397	3.0
202.05644	4.7
207.70793	1.7
211.00859	4.1
217.04204	3.4
219.02019	29.0
220.02238	3.1
238.95613	7.7
243.02052	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.59708	3.8
53.03934	10.9
54.13374	4.4
54.23590	4.1
55.01875	4.9
55.05520	28.9
57.07068	7.7
67.05511	53.2
69.03429	8.4
69.07076	19.2
71.04980	15.4
71.52161	4.7
73.06564	4.8
79.05080	6.1
79.05496	82.1
81.03429	9.4
81.07067	51.9
83.04990	28.2
83.08601	10.3
85.02917	6.8
91.05495	64.7
93.06490	5.8
93.07052	97.5
95.04983	26.0
95.08621	30.3
97.02877	5.1
97.06540	6.7
99.04453	11.1
101.95029	23.4
105.03396	19.5
105.07045	49.5
107.04940	9.9
107.08578	29.7
109.06529	18.0
109.10165	8.1
111.04469	4.9
111.08121	6.8
117.07024	8.3
119.04905	10.8
119.08575	32.2
119.96069	8.7
121.06443	4.4
121.10147	10.6
123.08084	20.2
123.11734	5.6
127.07494	5.2
128.06232	6.5
129.07018	21.6
131.08539	12.4
133.06473	3.9
133.10139	13.7
137.09634	6.5
143.08542	8.4
145.10124	12.1
147.04372	8.5
147.08122	4.8
147.11694	53.3
149.09656	8.5
155.08517	5.1
160.98767	6.3
161.09612	7.8
161.13260	16.8
165.05402	5.8
167.10692	6.4
169.10123	8.1
171.11668	34.8
175.03879	12.6
177.09061	4.9
183.11571	5.6
189.12726	11.2
197.13354	5.1
198.53281	5.4
206.04376	5.0
207.06503	17.6
207.13792	33.0
225.05511	9.5
225.09116	18.5
225.14729	100.0
225.18411	6.3
225.19496	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	224.0919
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
53.62283	0.4
55.05517	1.1
55.92155	0.4
56.05040	0.8
56.96564	2.7
57.03439	1.2
57.86216	0.3
59.05012	0.4
60.04519	0.4
60.58323	0.4
61.70694	0.4
62.06091	0.6
63.25557	0.4
67.05505	0.7
68.05030	0.5
69.03431	1.6
69.07069	0.5
69.99358	0.4
69.99688	1.9
70.06586	1.2
71.05016	0.4
72.08163	0.8
73.02924	0.7
76.03989	0.5
79.05489	2.4
81.03411	1.6
81.07079	0.7
83.04990	0.9
83.53118	0.5
84.04475	0.7
84.08149	6.0
84.08636	0.7
85.02914	1.7
85.06516	0.5
86.06073	0.5
86.09717	3.3
87.04470	1.0
88.03960	0.4
91.05469	3.4
93.07084	0.8
94.02906	0.6
94.06579	0.6
95.04969	0.8
95.08647	0.5
96.04506	0.4
97.02895	2.0
98.97599	2.8
101.10771	0.5
103.05470	6.2
104.05011	0.6
105.07038	20.0
106.07372	0.4
107.04965	3.1
108.04501	0.6
109.02865	0.5
110.06036	0.9
110.97525	0.4
111.04442	0.8
115.03946	0.8
115.05456	1.8
116.98611	1.3
117.05772	6.6
119.01909	1.0
119.07344	2.8
120.08112	1.5
121.02885	0.7
121.06503	1.3
126.03753	0.5
128.07079	0.4
129.10269	1.5
130.06529	5.7
131.04973	2.4
132.08098	96.1
133.04990	0.6
133.06494	0.6
133.08467	0.5
136.06195	1.8
136.07613	1.0
143.00195	0.6
149.05923	0.8
150.02721	0.8
150.05574	0.5
150.09169	2.7
158.97218	0.9
158.99670	0.8
161.01207	0.6
161.02956	0.6
163.01611	0.6
164.07080	1.0
165.05522	1.0
176.98346	0.6
177.00731	1.0
177.05464	0.9
177.10298	0.4
178.08638	100.0
179.08865	0.5
182.99628	0.8
192.08784	2.6
201.00784	2.9
204.07344	0.5
206.04518	0.5
206.08049	0.9
206.11964	0.5
219.01703	0.8
224.04535	2.6
224.09261	10.1
224.11272	1.9
224.13188	2.3
226.04266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88208	0.5
70.28278	1.2
84.77641	0.5
101.00894	1.2
102.94334	0.7
107.62271	0.5
112.94035	0.5
119.01903	1.7
120.41840	0.5
120.95383	2.1
138.95343	1.1
138.96425	22.7
151.78021	0.6
156.97488	100.0
157.97577	1.1
158.97961	0.7
161.98019	0.9
174.98549	46.3
179.99104	3.5
180.97456	2.8
198.00215	0.8
198.98547	33.5
216.99611	46.6
217.99715	0.7
222.00050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65699	0.4
53.03957	1.1
55.05515	59.8
58.99592	3.5
67.43870	0.3
70.06588	1.1
71.36750	0.6
76.02221	1.4
79.05537	0.5
83.08624	100.0
86.99060	4.5
90.05584	0.5
95.05025	0.5
96.05250	0.4
98.97589	0.8
101.09666	16.2
103.05476	0.8
105.00092	8.2
116.07080	0.5
116.98591	0.6
117.07043	0.4
120.08126	1.0
122.02731	0.9
130.06540	7.2
131.04945	1.3
132.04457	1.0
147.04414	0.7
148.04738	0.5
148.07550	2.3
156.97522	0.5
158.05984	3.1
159.08379	1.4
161.05911	0.5
162.06277	0.6
163.07535	1.0
176.04277	1.0
176.07076	7.6
187.07878	0.7
198.96875	2.6
204.06592	0.5
204.12239	0.5
205.08957	22.3
216.97928	1.7
221.99907	0.9
222.07594	1.8
222.11346	4.7
223.13205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03963	0.4
53.20705	0.4
53.57319	0.3
55.05510	0.7
58.85679	0.3
60.58491	0.4
69.07059	0.5
69.14480	3.9
78.04729	2.1
79.05498	1.5
81.07054	0.9
83.05023	0.4
91.05493	1.1
93.07047	0.5
95.04951	0.6
105.03421	0.9
106.04198	1.8
107.04972	11.9
107.08585	1.1
119.08585	0.6
121.02881	0.5
121.10156	0.8
125.09664	0.5
129.48392	0.3
133.02856	0.7
134.03661	3.6
135.04442	4.6
137.02362	0.8
137.09621	0.9
141.76915	0.4
145.02913	0.4
145.03969	0.8
145.10132	0.4
146.34758	0.4
147.11646	0.4
149.02347	1.3
150.02747	0.6
151.03011	0.5
152.04700	0.6
161.02266	0.4
162.03154	18.1
163.03932	7.6
163.11227	1.1
167.07072	1.2
177.05525	0.5
178.02655	0.8
179.03438	4.5
180.04204	1.7
190.02649	18.5
191.03357	1.2
193.01355	2.0
194.02138	1.7
195.06537	1.1
195.08160	0.5
207.02911	7.8
208.03706	14.1
208.05681	0.8
223.06047	100.0
223.16992	0.9
224.06381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.02377	0.2
53.03952	0.2
55.01864	0.4
55.05506	0.5
57.03451	0.3
57.07079	6.7
65.03938	1.3
65.77283	0.2
67.05502	1.2
69.03423	0.5
69.07056	0.5
69.55847	0.3
69.56252	0.8
70.60566	0.2
71.04997	0.3
79.05500	1.0
81.03407	0.7
81.07058	1.5
83.04996	0.3
83.08614	0.3
85.02890	0.2
85.06506	0.2
91.05493	0.8
93.03395	0.7
93.07056	1.3
95.04967	1.3
95.08613	1.3
97.02874	0.3
97.06528	0.3
105.03348	0.3
105.07024	0.5
107.04927	0.4
107.08620	1.0
109.02892	0.2
109.06512	0.8
109.10165	0.9
111.04438	0.3
111.08092	0.3
117.07043	0.5
119.08578	0.7
120.08926	0.3
121.02869	6.2
121.03958	1.2
121.06494	0.6
121.10168	0.6
123.08064	0.3
125.06015	0.3
131.08600	0.4
133.10178	0.4
135.08064	0.4
135.11667	0.4
136.08340	0.2
137.05965	0.3
137.09663	0.4
138.09988	0.3
145.06476	0.3
145.10115	0.6
147.11630	0.2
149.02350	100.0
149.13249	0.4
150.02695	0.5
150.13600	0.2
159.11697	0.6
163.03992	0.2
163.07545	0.2
163.11206	0.7
163.14836	0.3
165.09138	0.3
167.03419	2.3
167.07068	0.4
177.12782	1.4
177.16302	0.2
178.13100	4.3
181.04996	0.2
187.11191	0.2
187.14870	0.2
190.02589	0.2
190.05000	0.4
205.08488	0.2
205.12242	0.6
205.15874	0.3
208.03806	0.2
223.04102	0.3
223.05821	1.0
223.07875	0.3
223.11259	0.4
223.13203	2.7
223.16922	0.5
223.18658	0.8
225.04230	0.3
225.79637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03961	0.3
54.88419	0.2
55.01862	0.3
55.05518	0.3
57.03433	0.3
57.07078	0.4
59.04990	0.4
61.04052	0.4
67.05489	0.9
69.03410	0.7
69.07065	0.6
70.42009	0.5
70.42393	0.7
71.05005	0.3
78.04714	2.8
79.05494	1.6
81.03415	0.7
81.07060	1.2
83.04958	0.7
83.08609	0.3
85.02899	0.6
85.06525	0.5
89.03931	0.3
91.05492	1.2
93.07043	0.8
95.04955	0.9
95.08609	1.1
97.02877	0.8
97.06521	0.4
98.98502	0.2
103.05452	0.2
105.03419	1.1
105.07045	1.6
106.04186	1.6
107.04966	1.9
107.08591	1.8
109.02882	0.4
109.06514	1.0
109.10158	0.9
111.04445	0.6
111.08072	0.5
113.60668	0.2
117.03365	0.3
117.06995	0.9
118.04169	0.6
119.08611	1.3
120.02119	0.3
121.02888	0.5
121.06497	0.8
121.10099	1.0
121.40177	0.2
123.04425	0.5
123.08073	0.8
125.02341	0.3
125.05996	0.5
125.09641	0.6
129.07010	0.2
131.04962	0.3
131.08585	0.9
133.02850	1.2
133.10126	0.9
134.03653	4.9
135.04424	8.4
135.08051	1.3
135.11668	0.6
137.05957	0.6
137.09599	0.8
139.07527	0.6
144.02080	0.3
144.09361	0.3
145.06522	0.6
145.10104	0.9
146.03645	0.4
147.08040	0.4
149.02357	3.1
149.05966	0.3
149.09605	0.6
149.13263	0.3
151.03918	0.5
152.04713	0.3
152.06113	0.3
153.09154	0.3
155.53230	0.3
159.08090	0.4
159.11659	1.1
161.02315	0.7
161.06001	0.5
161.09599	0.4
162.03139	19.5
163.03922	8.6
163.07547	0.5
163.11192	2.3
164.04672	0.4
165.01839	0.6
165.09100	0.7
167.07117	1.5
167.08398	0.3
177.01907	0.3
177.05467	0.6
177.09158	0.6
177.12796	1.3
178.02638	0.8
179.03419	7.1
179.06956	0.4
180.04156	1.0
187.11142	0.6
187.14792	0.3
190.02628	27.3
191.03177	0.5
193.01326	2.0
194.02142	2.4
195.06551	2.1
195.08073	0.4
198.37129	0.2
205.01352	0.7
205.04913	0.3
205.08615	0.3
205.12219	1.3
207.00922	0.5
207.02910	12.7
208.03690	21.2
223.06021	100.0
223.13120	2.2
224.06270	1.1
225.04305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
50.25480	0.3
55.01880	0.3
55.05511	0.6
59.64008	0.3
66.10700	0.3
67.05502	0.6
69.03419	0.5
69.07064	0.6
69.67147	2.0
78.04717	2.8
78.88632	0.3
79.05495	1.7
81.03399	0.4
81.07064	1.5
83.04981	0.8
85.06514	0.4
91.05471	0.9
93.07053	1.4
95.04961	1.0
95.08602	1.1
97.02865	0.5
97.06542	0.3
105.03416	0.8
105.07032	0.9
106.04187	2.4
107.04984	2.1
107.08602	1.6
109.06503	1.3
109.10149	0.9
109.88425	0.3
113.61431	0.4
117.07047	0.5
118.04123	0.5
119.08574	0.7
120.02061	0.4
121.02850	0.4
121.06516	0.3
121.10151	1.1
123.04410	0.5
125.09636	0.6
133.02838	0.5
133.10164	0.7
134.03668	4.5
135.04431	8.1
135.08081	0.4
135.11693	0.6
137.06010	0.4
137.09639	1.6
139.07593	0.5
145.10118	1.0
149.02396	1.7
149.05928	0.4
149.13336	0.4
150.03140	0.5
153.50836	0.4
159.11710	0.5
161.02370	0.6
162.03137	21.6
163.03923	8.8
163.11186	1.1
165.01837	0.6
167.07011	1.2
167.10706	0.4
177.01854	0.3
177.12787	0.3
178.02634	0.6
179.03410	7.4
180.04160	1.1
183.69225	0.4
187.11183	0.4
187.14859	0.5
190.02629	28.7
191.03314	0.4
193.01358	1.7
193.02771	0.3
194.02155	2.5
195.06557	1.6
195.24074	0.3
205.01384	0.4
205.12312	1.2
205.15732	0.7
207.00935	0.4
207.02905	10.8
208.03691	23.0
223.06024	100.0
223.12985	1.5
223.17012	1.2
224.06343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
52.32616	0.2
53.03947	0.2
55.01852	0.2
55.05515	3.4
65.03942	1.8
67.05482	0.3
69.03439	0.2
69.07084	0.2
70.95401	0.2
70.95729	0.2
73.06537	0.5
75.57831	0.2
79.05477	0.3
81.07048	1.0
91.05497	0.8
93.03405	0.6
93.07048	0.5
94.30789	0.2
95.08635	0.5
103.05425	0.3
105.07024	0.7
107.08567	0.6
109.10156	0.5
111.04424	0.3
119.08602	0.5
121.02866	7.4
121.03975	1.6
121.10141	0.4
129.07021	0.5
131.04907	0.2
131.08592	0.6
133.06459	0.3
133.10149	0.4
135.08086	0.3
143.04964	0.3
145.20811	0.2
147.11725	0.3
149.02348	100.0
149.13229	0.2
149.74203	0.2
150.02689	0.6
157.06441	0.3
160.05247	0.2
161.05956	0.9
161.13242	0.3
167.03403	0.6
175.07536	3.4
185.06024	0.2
190.04916	0.2
191.98148	0.2
193.10574	0.2
203.07014	1.7
203.17958	0.3
221.04483	0.6
221.08087	2.5
221.11729	0.3
221.15379	0.5
221.19070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.8
60.04520	0.3
65.03940	1.7
66.91711	0.2
67.05515	0.4
69.07030	0.2
69.33436	0.2
69.33723	1.6
73.06556	0.4
78.32320	0.2
79.05499	0.4
81.07059	0.5
91.05479	0.9
92.05845	0.2
93.03397	0.8
93.07034	0.3
95.08586	0.4
96.05199	0.2
97.02879	0.2
98.21475	0.3
99.76659	0.2
102.05550	1.2
103.05908	0.3
105.07040	0.7
107.08626	0.4
108.98010	0.2
109.10145	0.4
111.04440	0.3
117.07018	0.2
119.08586	0.5
121.02876	7.4
121.03980	1.2
121.06557	0.3
121.10136	0.3
123.08111	0.2
123.11700	0.3
129.07010	0.5
131.04892	0.2
131.08557	0.6
133.10170	0.4
135.11722	0.2
142.60022	0.2
143.08508	0.3
147.04390	0.3
147.06355	0.4
147.08034	0.3
147.11707	0.3
149.02356	100.0
150.02710	0.6
151.04100	0.2
161.05994	1.5
161.13271	0.2
163.25969	0.2
167.03429	0.6
171.08099	0.2
175.07553	3.5
175.14861	0.3
177.05464	0.2
185.06087	0.2
185.13226	0.2
190.05142	0.3
203.07043	1.5
203.10716	0.8
203.14432	0.2
221.04509	0.6
221.08105	2.7
221.11714	0.5
221.15408	0.5
221.19035	0.2
223.02989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59227	0.3
51.88844	0.3
53.03948	0.4
55.01875	0.7
56.96568	2.2
57.03445	2.0
58.99873	0.7
59.05025	0.4
60.04537	0.5
61.02933	3.1
67.05492	0.5
69.03435	2.5
69.47127	0.9
69.47536	1.6
69.66106	0.3
69.85674	0.3
70.06595	2.3
70.98124	0.3
71.05003	0.9
72.08140	0.6
73.02912	2.7
79.81118	0.5
81.03427	1.4
82.06586	0.5
82.99857	0.7
84.08171	0.5
85.02918	3.2
86.98354	0.3
87.04476	0.5
94.06568	1.3
96.46976	0.3
97.02896	2.0
98.03255	0.4
98.06034	0.5
98.21452	0.7
98.97601	4.3
100.02489	1.1
100.07623	1.2
101.00885	2.5
102.00957	0.9
102.96907	0.5
103.00626	0.6
103.05482	0.6
109.02936	0.7
110.97616	0.3
111.59074	0.4
113.00858	0.4
114.01028	0.3
115.02438	0.9
116.07109	0.7
116.98624	1.8
118.03535	0.5
119.01923	4.7
119.04902	0.5
120.02047	2.1
120.95411	1.3
120.97969	0.5
121.01643	1.2
127.03918	1.3
127.07047	0.4
128.02370	0.3
130.04102	0.5
130.06572	0.4
131.01921	2.3
131.04889	0.5
131.06870	1.1
132.02245	0.4
133.01659	0.6
133.04900	0.6
134.99704	1.0
135.03239	0.4
137.02974	0.4
137.05980	1.2
138.96416	14.0
141.02998	0.4
142.03444	0.4
143.01892	0.9
145.01599	0.5
146.08084	0.4
147.03168	0.4
147.04404	0.7
149.05974	0.4
152.53368	0.4
154.03378	0.5
156.97490	100.0
157.03465	1.4
157.97552	1.4
158.01205	0.4
158.03627	0.4
158.08002	0.5
158.97908	0.4
159.05122	0.4
159.06334	1.7
160.09715	0.7
161.02956	1.4
162.03143	1.1
163.02856	0.3
167.01884	0.5
169.03487	0.4
173.02975	0.8
173.06679	0.5
173.53951	0.4
174.98550	71.3
175.98671	0.7
176.00963	0.5
176.04738	0.6
176.07458	0.4
176.08980	1.7
176.98985	0.7
177.02444	1.0
179.03995	0.4
179.99107	3.8
180.04126	0.7
180.97363	1.7
181.03493	0.7
183.02180	0.4
184.02145	0.8
185.02969	1.4
186.03152	0.8
187.00922	0.4
189.00354	0.4
196.08218	0.4
198.00140	1.7
198.98543	31.7
199.02620	1.0
199.04556	2.0
199.06345	1.1
199.08197	0.5
199.98801	0.5
200.04031	1.6
204.08641	0.5
216.99614	61.6
217.05363	1.6
217.09195	0.9
217.99782	0.8
218.05179	0.6
222.00180	1.5
222.03787	0.7
222.05811	0.8
222.07721	0.7
222.11292	1.7
240.01207	1.5
240.03491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01872	0.9
55.05507	0.8
56.01386	0.8
57.07080	5.7
59.04996	4.1
63.73357	0.6
67.05503	5.7
69.07073	4.9
70.02955	7.2
70.21037	0.6
70.95619	1.0
70.95981	0.9
72.04526	13.7
73.02921	3.5
74.02442	1.0
81.07079	0.9
83.04948	1.1
85.06553	11.7
86.09721	2.2
86.47775	0.7
87.08108	1.9
90.05560	100.0
95.04985	7.5
96.08134	1.8
98.02425	18.0
100.03999	3.2
103.07594	7.5
112.07597	0.8
113.05999	3.5
116.03462	13.0
116.04279	1.0
124.06720	1.3
124.07597	19.0
125.48751	0.7
142.08646	8.5
156.10216	1.7
160.09726	1.6
166.08667	2.7
174.11263	2.0
184.09708	20.0
202.10768	31.5
213.55867	0.7
220.11812	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
54.14214	0.1
60.16804	0.1
67.05515	0.2
68.22389	0.1
70.76671	0.4
81.07055	0.3
83.14867	0.1
91.05486	0.2
92.05806	0.2
93.07060	0.1
94.07389	0.2
95.08618	0.3
103.47427	0.1
105.07042	0.5
106.06628	0.1
106.07372	0.3
107.08613	0.1
109.10192	0.2
111.08124	0.1
112.08421	0.2
115.16254	0.1
118.06554	8.6
119.07375	0.3
119.08581	0.3
120.08138	0.2
120.08932	0.4
122.10494	0.2
132.08104	1.9
132.08984	0.3
133.08882	1.2
134.09631	0.6
134.10527	0.3
144.08084	0.2
146.09628	2.4
146.10579	0.2
147.10481	0.3
149.02495	0.2
161.13298	0.1
162.09152	5.3
162.13689	0.2
175.07170	0.2
176.10777	3.3
176.14362	25.8
177.11496	1.4
189.15179	0.2
190.09512	0.3
190.12276	2.9
202.15807	0.7
205.15958	0.3
220.16974	100.0
221.17296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0446
Annotation	6-Methoxy-7,8-methylenedioxycoumarin
Peak:m/z	Relative Intensity
52.41695	0.3
55.05510	0.3
56.10103	0.2
60.04514	0.8
60.21862	0.2
65.03936	0.4
67.05488	0.4
68.99817	0.2
70.55702	0.7
72.82309	0.2
75.59145	0.2
79.05470	0.3
81.07050	1.0
86.86140	0.2
91.05489	1.3
92.05824	0.4
93.07049	0.4
95.04960	0.4
95.08643	0.4
102.05548	1.8
103.05872	0.9
105.03397	0.8
105.07029	0.8
107.04944	0.4
107.08604	0.5
109.06576	0.3
109.10191	0.3
119.04943	0.5
119.08583	0.4
121.02853	0.5
121.06486	0.3
121.10151	0.5
123.08074	0.3
131.04863	0.4
133.02876	0.5
133.10121	0.3
135.04430	0.8
139.03902	1.1
147.04483	1.4
147.06322	0.7
147.11711	0.3
149.02342	4.2
150.03136	17.9
161.02362	1.1
161.06009	0.7
163.03903	5.1
165.01852	18.1
175.03946	0.4
175.07523	0.3
175.11147	0.4
177.01869	0.6
177.05495	0.8
178.02594	3.7
180.67957	0.3
189.01865	1.2
191.03412	9.7
193.04997	0.7
193.08612	0.3
203.03421	0.5
203.10741	0.2
221.04465	100.0
221.15297	1.0
222.04781	0.6
223.02400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0447
Annotation	Buntansin
Peak:m/z	Relative Intensity
50.26337	0.9
53.03954	1.9
55.01863	3.5
65.03942	0.9
67.05492	1.5
68.99794	1.6
70.40419	1.8
70.40809	1.6
72.04496	1.3
73.04871	1.0
77.03933	1.6
79.05070	1.4
79.05502	19.1
87.80078	1.0
90.05560	7.1
91.05460	11.2
91.05877	1.6
93.07062	1.2
95.04977	2.7
97.02933	1.0
100.67245	0.8
103.05476	52.0
105.03378	1.1
105.04554	0.9
105.07024	1.1
107.04966	18.2
110.03663	6.4
119.04954	13.3
121.02889	1.8
121.06512	5.7
123.04436	37.1
129.03366	3.5
131.04942	74.0
133.02849	1.2
135.04430	3.8
137.02330	4.0
141.03387	2.1
147.04428	87.2
148.05171	1.6
149.06000	23.6
157.02806	1.0
158.06087	1.7
159.04439	13.4
160.05168	1.4
161.06018	4.6
165.05498	21.0
165.06892	1.3
175.03925	100.0
176.04655	2.4
177.05489	50.9
178.09799	1.3
179.03578	0.9
185.02443	1.2
185.10017	1.7
187.05054	5.5
193.04999	14.4
203.03415	57.5
203.07082	1.8
203.11076	3.2
204.07649	1.2
221.04491	15.4
221.12151	4.1
221.15208	0.9
242.70297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
50.38869	1.0
51.02376	1.1
55.01854	1.8
55.05514	8.4
57.03432	1.9
57.07062	3.0
59.04986	3.9
67.05508	20.1
69.03425	2.7
69.07071	17.9
70.72428	1.6
71.04980	3.8
79.05491	17.3
81.06599	2.2
81.07061	36.8
83.04988	13.1
83.08622	4.8
85.06528	2.9
85.48689	1.0
91.05481	15.3
93.07051	36.3
95.04961	4.4
95.08612	37.1
97.06538	22.2
97.10149	2.5
99.08112	1.0
103.05446	1.7
105.07041	31.7
107.04935	1.6
107.08599	26.4
109.06506	3.1
109.10162	33.0
111.08089	18.3
113.09642	1.0
115.05470	1.1
117.07020	8.8
119.08583	27.6
121.06501	2.9
121.10149	25.1
123.04426	9.3
123.08059	4.0
123.11681	3.1
125.09650	5.4
128.06224	2.0
129.07034	6.8
130.07788	2.3
131.04926	2.9
131.08582	19.9
133.06531	1.0
133.10156	14.3
135.08073	4.1
135.11690	13.8
137.09583	4.2
139.11156	1.0
141.06947	4.5
142.07736	1.0
143.08612	2.4
144.09355	1.4
145.06390	1.0
145.10136	33.0
146.07301	1.3
147.11708	9.2
149.09605	4.5
149.13234	3.6
151.11195	2.2
157.06491	3.9
157.10097	1.6
157.81602	1.1
158.07246	4.0
158.10924	1.3
159.04558	0.9
159.08130	4.9
159.11713	27.2
161.09644	1.7
161.13269	14.9
163.11172	12.2
169.06400	1.3
173.05943	1.3
173.13300	12.5
174.06778	9.9
175.07515	2.3
175.14845	8.2
176.56151	0.9
177.05443	4.3
177.09151	1.5
177.12753	3.3
186.06769	4.2
189.09129	13.4
191.14328	2.4
191.17998	4.9
201.09167	7.4
201.16409	36.3
203.14310	5.0
204.15134	2.1
219.06697	1.9
219.08238	1.5
219.10152	28.5
219.13872	4.3
219.17447	100.0
220.17137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03940	2.8
55.05516	7.9
55.27751	1.1
57.07078	1.1
59.04985	2.0
63.64042	1.0
65.03929	1.6
67.05503	7.3
69.07072	6.0
71.04991	14.2
79.05498	9.9
81.06590	1.7
81.07059	25.1
83.05009	7.1
83.08611	3.3
85.06531	2.2
90.60723	1.0
91.05486	21.0
93.06493	1.5
93.07053	19.3
95.04948	2.8
95.08622	15.6
97.06527	4.6
97.10162	1.7
98.20724	2.4
98.21442	4.9
99.08096	2.2
103.05447	1.8
105.07037	50.6
107.08599	21.1
109.06528	2.8
109.10165	14.9
111.08066	2.5
115.05460	4.7
117.07014	7.3
119.08581	22.2
119.13239	1.0
121.06575	2.2
121.10157	15.0
123.08057	2.1
123.11709	3.8
125.09656	9.0
127.11189	4.6
128.06238	1.8
129.07005	10.8
130.07756	2.6
131.04945	1.8
131.08586	20.3
133.10139	100.0
135.08080	2.1
135.11697	9.3
137.09636	2.3
141.07014	8.0
143.08665	1.3
144.09407	1.3
145.06454	1.4
145.10135	28.7
147.11697	9.3
149.09618	2.7
149.13257	2.3
155.06056	1.3
157.06485	3.9
158.07274	4.5
158.10851	1.4
159.08101	6.4
159.11723	19.4
160.05255	1.2
161.06006	1.9
161.09566	1.8
161.13286	11.2
163.11201	3.5
169.06506	3.2
170.07220	1.4
173.13326	4.5
174.06781	16.2
175.07458	1.9
175.14828	5.1
177.12804	2.4
177.16417	2.1
181.85184	1.2
186.06770	3.6
187.07628	1.8
189.09105	19.7
191.10658	2.1
191.14291	1.8
191.17915	4.3
201.09088	9.6
201.16397	21.6
203.14343	4.1
219.06564	4.5
219.10115	24.1
219.17455	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0449
Annotation	Buntansin
Peak:m/z	Relative Intensity
52.07148	0.6
53.03943	1.0
55.01871	2.4
55.05510	1.7
56.96556	0.9
57.03440	0.7
57.07082	3.4
59.04996	0.6
67.05511	3.6
69.03443	1.3
69.07066	2.6
69.44661	0.6
70.06612	0.9
71.04996	1.6
71.50478	0.7
71.50905	0.8
72.04510	0.7
73.02968	0.7
79.05503	4.1
81.07059	3.0
83.04995	1.8
83.08604	1.2
84.04514	1.3
84.46926	0.7
85.02922	1.3
90.05558	2.1
91.05480	9.3
91.05951	1.1
93.07046	3.0
95.04977	4.0
95.08630	3.3
96.05350	0.9
97.02883	1.5
98.97583	1.9
103.05483	52.5
105.03394	2.2
105.07041	4.5
106.03699	1.0
107.04996	3.7
107.08588	3.2
109.06536	1.5
109.10188	3.3
111.04405	0.8
111.08101	2.5
113.06049	0.7
115.05463	1.8
116.03476	0.8
117.03770	0.8
117.07034	1.9
119.04968	10.6
119.07857	0.9
119.08589	5.4
121.02829	1.3
121.06518	5.7
121.10194	1.5
123.04434	2.7
123.08076	1.1
124.07596	1.2
125.07983	1.9
127.03928	0.8
129.03430	1.2
129.07004	1.0
130.04169	0.7
130.06552	1.6
131.04948	35.4
131.08598	1.4
133.06519	2.6
133.10210	3.3
135.04436	1.1
135.08093	2.3
137.05992	3.1
137.09619	1.7
138.09149	1.3
143.08665	1.3
145.06461	1.7
145.10204	0.8
147.04430	59.6
147.08078	2.3
147.11722	1.8
148.05145	2.6
149.06013	8.5
149.09595	1.2
150.03152	1.4
151.03949	1.0
151.07600	1.4
153.09146	0.9
157.10194	2.4
158.06009	1.5
158.99687	1.3
159.04453	2.1
159.11687	1.2
160.05258	1.5
160.09970	1.7
161.05995	3.8
161.09627	2.8
161.13277	1.5
163.03888	1.1
163.07565	0.8
163.11333	1.0
165.05516	7.6
165.09131	2.4
165.20653	0.7
173.09720	0.8
175.03934	100.0
175.07515	3.9
175.08766	2.3
175.11211	2.6
175.14838	1.6
176.04575	1.3
176.07097	1.6
177.05513	15.0
178.02658	0.9
178.09781	1.9
179.03465	1.9
179.07079	0.8
179.10721	1.2
185.10043	3.0
187.04904	1.0
188.09547	1.1
189.05464	1.1
191.03424	0.8
193.04996	26.3
193.08607	1.3
193.12242	1.1
193.15912	2.6
198.96931	0.8
200.05182	0.8
203.03389	12.6
203.07030	2.9
203.08992	1.2
203.11729	5.3
203.14240	1.6
204.07748	1.5
209.05751	0.7
216.98038	1.3
221.04414	10.1
221.08073	2.0
221.11890	4.7
221.15410	4.4
221.18311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07001	0.5
55.05525	0.6
55.78380	0.6
57.03446	0.8
60.90593	0.6
67.05481	0.6
69.66250	2.0
69.66663	1.2
77.34122	0.6
81.07076	1.5
91.05492	8.4
93.07047	0.7
95.08596	0.7
103.05488	2.3
105.07049	2.8
107.08595	1.1
113.53236	0.5
115.05462	7.4
116.06248	2.3
117.07020	2.3
119.08597	0.7
121.10159	0.7
128.06241	7.0
129.06038	1.2
129.07018	25.8
130.07771	2.1
131.04948	5.5
131.08577	28.0
133.10141	2.4
135.08049	1.1
137.05975	2.5
141.07005	24.4
142.07802	0.9
143.04921	1.5
143.08569	1.8
144.05708	3.6
145.06509	4.6
145.10126	2.1
146.07294	2.9
147.11694	0.8
155.06082	0.9
157.06506	17.7
157.07787	1.1
158.07285	15.4
159.04462	1.9
159.08075	20.1
159.11696	1.1
160.05231	4.0
161.06001	1.5
161.09613	3.0
161.13266	0.8
163.07533	1.2
168.05704	1.2
169.06490	11.7
169.07672	1.1
170.07274	5.6
171.08064	0.8
173.05995	3.4
173.09546	1.1
173.13162	0.6
174.06779	55.9
175.07559	9.1
175.14984	0.8
186.06772	13.6
187.07555	1.7
188.08344	2.8
189.09123	73.5
191.06938	0.7
191.10710	7.4
201.09119	31.7
201.16379	0.8
203.14305	0.7
219.10181	100.0
219.17351	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	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
55.01867	1.2
55.05513	5.0
57.03424	1.1
57.07079	3.0
58.06593	1.7
59.04989	2.3
67.05506	8.3
69.03416	0.9
69.07072	26.5
69.20158	6.0
71.04993	4.5
79.05505	3.8
81.07060	12.8
83.04976	1.6
83.08611	4.9
85.06545	2.5
91.05472	6.0
93.07046	11.7
95.04967	1.9
95.08614	22.6
97.06534	1.8
97.10157	2.8
103.05470	0.6
105.07038	16.5
107.04949	0.8
107.08604	15.5
109.06505	4.8
109.10159	22.1
111.08073	2.7
113.09659	1.0
117.07021	2.5
118.04952	0.6
119.07718	0.7
119.08588	18.6
121.06510	2.5
121.10151	18.7
123.08073	3.1
123.11720	5.9
125.09625	1.9
125.20984	0.6
130.07791	1.5
131.08582	5.7
133.10130	8.5
135.08058	3.5
135.10709	0.9
135.11699	15.8
137.09630	10.8
137.13251	3.0
143.08540	0.9
145.10130	19.5
146.10838	0.7
146.91528	0.6
147.11667	2.9
149.09607	8.7
149.13255	4.1
151.11157	2.3
157.07457	0.6
159.11708	9.5
161.13264	10.0
163.11195	15.3
163.14806	0.8
173.13255	4.7
174.06750	1.0
175.14795	6.5
177.12735	4.1
177.16376	1.7
189.09090	0.6
189.12836	0.7
191.17970	7.5
201.09108	0.7
201.16394	15.1
203.14323	4.0
219.06572	0.8
219.17448	100.0
220.17897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.38667	0.9
51.36280	0.8
53.03943	1.1
55.05515	8.5
56.70217	0.9
57.03433	1.3
57.07063	2.2
57.82305	1.0
59.04981	1.7
67.05505	17.2
69.03416	2.8
69.07069	13.2
70.73846	0.8
71.04974	3.3
71.08630	1.0
71.51599	0.9
76.27981	0.9
79.05495	14.0
81.07059	47.5
83.04984	2.5
83.08622	2.7
85.06547	1.6
91.05487	13.2
93.07046	31.9
95.04965	3.1
95.08614	34.7
97.05929	1.4
97.06538	20.9
97.10149	1.8
102.04658	1.1
103.05473	2.0
105.07037	47.2
107.08598	33.4
109.06536	5.2
109.10163	27.5
111.08087	5.3
115.05441	1.5
117.06992	7.4
119.08592	30.4
121.06489	3.3
121.10146	23.3
123.04415	6.7
123.08065	6.8
123.11704	4.0
125.09629	4.2
128.06238	2.5
129.07004	8.5
130.07770	3.6
131.04930	1.3
131.07608	1.6
131.08578	22.7
133.10138	16.4
135.08072	5.0
135.11720	14.1
135.87509	1.0
137.09596	1.8
139.11205	2.3
141.06990	5.0
143.08498	1.4
144.09355	2.4
145.06458	3.3
145.10132	39.2
146.05907	1.1
146.07141	1.4
146.10863	1.0
147.11713	11.5
149.09630	3.2
149.13245	4.2
151.11188	1.6
157.06496	2.9
157.10075	3.3
158.07292	3.6
158.10931	1.4
159.08055	5.9
159.11707	32.4
161.12000	2.0
161.13272	30.8
163.11180	7.7
163.14839	4.6
169.06511	2.5
173.05983	2.2
173.13261	10.3
174.06752	11.8
175.07532	2.8
175.14882	5.9
177.05499	3.4
177.09117	2.1
177.12744	2.2
186.06790	2.3
189.05409	1.1
189.09091	15.7
191.14215	1.7
191.17914	7.1
201.05516	1.8
201.09163	7.0
201.16394	53.0
203.14301	4.1
219.06534	4.1
219.10162	25.6
219.13885	3.3
219.17445	100.0
220.16919	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	217.1953
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
51.56636	1.5
55.05511	12.8
56.63408	1.5
67.05494	6.3
69.07074	13.6
69.46442	13.0
70.06614	2.2
72.05327	2.5
79.05482	3.5
79.71519	1.6
81.07059	17.4
81.82323	1.9
83.04984	9.9
83.08612	3.8
89.06038	2.8
91.05473	5.2
93.07066	9.4
95.08612	42.1
100.07600	5.1
101.06020	2.8
105.07040	19.2
107.08609	22.6
109.10169	27.0
111.04433	13.1
117.49581	1.6
119.08588	17.5
121.10152	19.7
123.11720	14.4
127.09505	3.1
133.10127	7.8
135.11690	6.9
139.69931	1.9
147.11690	25.0
155.07034	13.9
161.13274	32.7
173.08163	8.1
175.14893	4.6
189.16452	3.1
199.11601	9.7
217.10522	11.9
217.12636	19.3
217.19530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68726	0.1
55.05527	0.2
56.02818	0.1
57.07079	6.4
58.06599	0.7
58.76154	0.1
62.06087	0.5
66.97956	0.2
69.07059	0.2
69.83472	0.7
70.06597	11.8
71.08636	3.6
74.06098	0.4
86.06042	0.4
88.07637	17.1
88.37341	0.1
102.08497	0.2
102.09191	5.0
106.08674	9.6
118.24759	0.1
147.83965	0.1
156.17496	0.5
174.18539	1.1
200.20100	7.7
218.21161	100.0
219.21440	0.5
228.54700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42606	4.2
72.08147	8.5
73.02918	6.0
84.08154	100.0
90.09194	9.0
100.07574	13.0
101.07949	7.6
105.38299	4.7
128.36661	4.3
130.08675	37.1
153.73860	4.2
177.60527	4.9
200.17255	4.6
219.02649	15.2
219.07210	5.3
219.17120	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89861	0.7
55.01874	3.1
57.03443	1.4
59.05006	1.0
61.02939	19.3
63.05844	0.7
65.80179	0.7
69.35991	0.6
69.50435	5.0
71.01370	27.9
73.62074	0.8
74.48195	0.6
75.04493	41.7
75.61951	0.6
83.04996	1.0
84.99274	0.8
85.02929	0.9
87.04485	15.6
89.02405	6.2
93.07059	0.8
97.02876	0.8
98.20840	1.5
98.97602	3.2
101.06016	1.3
103.03960	55.9
108.66933	0.7
116.86346	0.8
117.07079	0.8
119.08564	1.0
131.03412	14.4
135.04436	3.9
145.06532	0.9
154.94250	1.0
159.02921	100.0
161.04553	1.3
161.05983	0.7
161.13356	1.0
163.03937	2.7
172.95374	0.9
173.06039	1.3
187.02437	7.7
191.03404	11.1
201.05638	0.9
203.14343	3.2
219.05002	10.4
219.06766	1.3
219.11299	0.9
219.17471	12.9
226.75108	0.8
232.09039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13673	0.9
55.01880	5.3
55.05523	2.3
56.96574	1.0
57.03443	3.5
58.06619	0.9
61.02934	19.4
61.90158	0.8
67.05501	1.7
69.03453	1.4
69.96740	3.0
71.01362	33.8
75.04488	52.6
79.05513	0.8
81.07040	1.0
83.05017	1.2
84.99267	1.4
85.02927	1.8
85.26310	0.9
87.04476	17.3
89.02396	7.5
90.05586	1.7
91.05504	1.3
97.02914	1.2
98.97597	3.2
101.06012	1.1
103.03952	63.7
111.04455	1.2
112.04788	0.9
116.98645	1.1
119.08640	1.1
121.10152	1.8
131.03418	12.5
131.08537	0.8
133.10100	1.3
135.04463	1.9
136.32289	0.7
145.06490	1.4
146.06036	2.8
147.04419	1.7
154.94273	1.3
159.02907	100.0
161.04527	1.8
161.13315	0.8
163.03912	1.9
172.95290	1.4
173.05975	1.7
175.08546	1.5
183.27531	0.8
187.02420	11.1
191.03401	7.2
197.68851	1.0
203.14310	6.2
219.04915	13.2
219.06717	1.4
219.11374	1.7
219.17444	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03445	1.3
59.85599	0.8
67.05506	1.4
69.13184	0.8
69.13871	6.4
79.63146	0.8
81.07047	0.9
91.05482	8.1
93.07054	0.7
103.05466	2.1
105.07010	1.6
109.10108	0.7
115.05468	7.2
116.06230	2.1
117.07035	2.6
119.08598	1.1
121.10189	0.9
128.06232	6.7
128.83437	0.9
129.07018	30.8
130.07782	1.9
131.04962	3.5
131.08580	26.6
133.10170	1.5
137.06000	2.9
141.07002	25.4
143.04936	1.6
143.08566	1.6
144.05743	3.9
145.06516	5.0
145.10110	1.3
146.07281	3.4
148.05182	1.3
153.06873	1.0
155.06094	0.9
157.06485	14.9
158.07304	16.6
159.04459	2.2
159.08066	22.3
160.05196	3.4
161.06042	1.4
161.09653	3.7
163.07536	2.4
168.05714	1.0
169.06508	11.2
169.07727	1.1
170.07272	6.0
173.05997	3.3
173.09605	1.4
174.06790	52.2
175.07524	8.7
186.06790	13.9
187.07455	1.4
188.08356	2.6
189.09129	75.9
190.09418	0.9
191.07024	1.2
191.10735	6.3
201.09131	30.6
201.16417	1.2
218.42094	0.8
219.10184	100.0
219.17409	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	217.0863
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
55.01916	0.8
55.05516	7.3
57.07105	0.3
59.05052	1.2
65.03950	0.3
67.05522	1.6
68.99823	0.6
69.03468	0.7
69.07085	2.4
69.85748	1.3
71.04997	0.6
73.02966	0.4
79.05511	0.6
81.07066	1.6
83.04992	11.4
83.08673	0.7
85.06594	1.0
87.04493	0.6
89.02450	0.9
89.06033	2.5
91.05509	1.8
93.07059	1.8
95.05022	0.8
95.08620	1.8
99.04518	1.1
101.06022	4.3
105.07051	4.1
107.08603	1.8
109.06544	0.8
109.10183	2.4
111.04457	19.6
111.08146	0.4
113.06033	1.6
115.05468	1.8
117.07071	1.2
119.08597	6.1
119.09353	0.4
121.02871	0.4
121.10131	1.6
123.08072	0.4
123.11757	0.4
126.09194	0.5
127.07597	1.9
127.09562	0.9
128.06209	3.9
128.07111	0.3
129.05516	3.3
129.07008	3.1
130.07858	0.5
131.04955	0.6
131.08588	1.7
133.06514	2.0
133.10150	3.7
135.08054	0.5
135.11684	0.5
137.05989	0.4
142.07751	0.5
143.08574	1.5
145.06490	1.7
145.10159	1.6
146.07327	0.7
147.06631	0.3
147.08067	0.8
147.11687	2.0
155.07062	21.3
156.05751	2.2
157.06503	1.0
157.10153	1.7
159.04443	0.5
159.11758	1.3
161.06004	0.8
161.09662	2.3
161.13321	1.5
171.08069	1.2
171.11803	0.7
173.06024	1.8
173.08124	17.0
173.13225	1.4
174.06786	9.9
175.11253	1.1
175.14830	1.6
184.12535	0.4
189.09132	100.0
189.16385	1.0
190.09499	0.6
199.09663	2.3
199.11606	2.3
199.14838	1.5
217.08595	44.8
217.10701	14.6
217.12668	3.4
217.15880	11.0
217.19308	2.9
218.08920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
58.06604	2.4
67.94290	0.2
69.03442	0.3
69.64125	0.6
69.64531	0.7
70.06599	0.9
72.04523	8.0
72.08163	0.8
82.06586	1.4
83.05001	0.7
86.06065	0.3
87.04469	1.1
88.99182	0.2
89.06025	0.3
97.02899	0.3
98.97635	0.2
100.07626	100.0
101.00903	1.3
101.06042	0.3
103.02467	0.2
111.04450	0.8
111.31052	0.2
116.07133	0.3
118.08670	1.2
119.01929	1.1
138.09113	0.2
145.03473	1.4
155.07051	0.8
158.08159	0.5
158.11823	0.3
163.04620	0.3
171.01358	0.3
173.08182	0.7
185.02965	0.2
189.02376	0.3
217.07027	0.4
217.11929	2.0
217.15488	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	217.1549
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.46777	0.2
56.48096	0.2
58.06607	2.2
60.05671	0.2
69.40911	1.1
70.06593	0.5
72.04525	7.6
72.08187	0.2
72.78774	0.2
82.06585	2.2
87.04465	0.8
90.81805	0.2
100.07631	100.0
101.07947	0.5
107.16458	0.2
111.07653	0.3
116.07122	0.4
118.08728	1.1
131.01747	0.2
136.29416	0.2
158.08189	0.5
200.10236	0.2
200.33980	0.2
217.07088	1.0
217.11995	2.7
217.15492	24.6
218.15886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
58.06614	2.7
62.03799	0.3
64.12759	0.2
69.62812	1.2
69.63232	0.5
70.06604	0.4
72.04532	7.5
72.08177	0.4
83.04981	0.4
86.83328	0.3
87.04488	1.1
100.07638	100.0
101.00923	0.3
101.07977	0.6
111.04449	0.4
116.07143	0.3
118.08675	1.0
133.03464	0.5
145.03450	0.4
155.07040	0.6
157.03470	0.3
158.08105	0.4
173.08134	0.4
175.04460	0.3
186.69255	0.3
215.68291	0.2
217.13297	0.9
217.15511	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	216.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18700	0.5
53.03942	0.7
55.01866	1.4
55.05512	9.4
56.05042	3.1
56.96568	5.7
57.03427	2.1
57.07054	0.8
58.06597	0.8
59.05000	1.3
60.04505	1.0
65.03931	0.7
67.05512	2.8
68.05039	0.7
69.03440	4.9
69.07071	7.3
69.94082	2.0
70.06594	9.7
70.95874	0.6
71.04991	4.9
72.04509	0.9
72.08156	4.7
72.93786	1.4
73.02910	1.7
73.06549	0.8
73.08502	0.9
79.05501	1.5
80.05025	0.5
81.03415	2.5
81.07059	1.7
82.06583	2.3
83.04987	14.7
83.08646	0.5
84.04514	1.7
84.08147	81.2
85.02902	3.0
85.06548	2.4
86.06070	1.8
86.09695	2.0
87.04474	2.8
87.08117	4.8
88.03992	1.5
89.02407	1.2
89.06020	2.8
90.05558	0.9
90.94813	0.9
91.05456	0.8
93.07034	1.1
94.06602	0.7
95.04995	1.8
96.04496	0.9
96.08136	1.7
96.95208	0.6
97.02905	6.4
97.06562	0.6
98.06084	2.5
98.21420	0.8
98.97595	3.6
98.98470	1.1
99.04462	1.7
100.07623	11.1
101.02364	0.6
101.06035	6.5
102.05587	0.8
106.07314	0.7
107.04984	0.9
107.08575	0.6
109.02892	0.9
109.06535	0.6
110.06035	1.5
110.09676	0.8
111.04449	24.1
112.07643	1.2
113.06031	3.4
113.96513	0.5
114.05556	1.1
114.09154	0.7
115.03939	1.3
116.07103	3.2
116.98621	1.7
117.07465	1.7
119.01883	0.5
119.04957	0.8
120.08096	0.6
121.00804	2.8
121.02891	3.8
121.06532	0.9
124.07614	1.7
124.11187	0.7
124.99100	0.9
125.07981	0.5
126.09170	12.5
127.03912	2.8
127.07593	2.8
128.00198	0.8
128.07112	2.3
129.05479	6.7
129.10257	1.8
130.05003	0.5
130.08646	31.3
131.07051	0.6
132.95845	4.2
133.05022	0.6
133.96066	0.9
134.99767	0.5
136.07501	0.6
137.06030	1.1
138.05493	3.5
138.09174	1.9
139.01834	4.9
139.53139	0.7
142.05070	0.6
142.08676	1.8
143.00227	1.1
144.02408	1.7
146.01285	2.3
146.99664	0.7
150.96909	3.9
151.97169	1.8
152.07045	2.8
152.14348	7.0
154.08655	1.5
155.07040	23.5
155.97485	1.8
156.06589	1.1
156.10201	2.5
157.08487	0.8
158.99690	1.1
161.01131	0.6
162.03442	3.5
164.02332	2.0
170.08163	1.6
170.11819	1.3
170.15410	46.9
173.08101	19.5
173.98550	2.1
174.00859	0.7
174.99139	0.7
177.00793	0.7
180.06633	1.1
180.10165	0.7
180.13899	1.1
182.99731	1.1
184.09756	1.4
188.12868	0.7
189.00717	0.7
191.97305	0.9
192.97476	0.8
195.55734	3.5
198.07651	3.2
198.11263	20.8
198.14906	22.4
199.09720	2.0
201.00752	1.1
204.56310	4.6
210.98512	0.7
216.03206	0.6
216.06787	2.2
216.08849	4.0
216.12424	45.5
216.15942	100.0
217.05087	0.9
217.07048	0.7
217.10716	15.4
217.15329	2.5
218.06908	0.9
219.01857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.05016	0.4
52.88395	0.4
53.03945	1.0
55.01877	3.0
55.05516	10.8
57.03440	0.6
57.07081	2.8
59.04997	0.8
63.56639	0.4
65.03960	0.7
67.05507	9.3
69.03443	2.1
69.07071	17.7
70.06595	1.1
70.82446	0.4
71.05000	9.4
71.08649	0.8
71.51585	0.7
77.03922	0.5
79.05499	6.7
81.03419	1.2
81.07061	24.6
83.04992	0.9
83.08625	10.5
85.06540	5.0
85.07026	0.5
86.06091	0.4
86.09718	0.5
88.07645	1.2
91.05485	3.1
93.07046	15.8
95.05017	0.5
95.08612	38.3
97.02912	0.6
97.06512	1.0
97.10178	8.6
99.04460	0.7
99.08098	33.2
103.05504	0.5
105.07036	3.3
107.04964	1.1
107.08600	38.8
109.02863	1.1
109.06558	0.6
109.10162	23.5
111.04465	0.5
111.08086	17.7
111.11734	0.8
113.09682	3.2
119.06046	0.4
119.08593	1.6
121.02899	0.4
121.10150	63.7
123.08083	0.7
123.11727	4.2
125.09635	6.8
125.13268	1.0
127.03944	1.1
127.11213	1.1
129.07004	0.9
133.07661	0.6
133.10132	0.6
135.11697	13.9
137.13266	8.1
139.11205	1.8
142.07787	1.0
143.08615	0.6
149.09631	0.5
149.13277	5.1
151.14868	0.7
153.09160	0.6
153.12730	2.1
155.08545	0.6
157.06541	0.9
157.10124	1.6
163.07544	0.7
165.06921	0.4
167.07060	1.7
167.08510	0.8
167.10757	0.4
171.11719	0.8
177.16393	100.0
178.16745	0.7
185.05959	1.3
185.09555	0.8
195.06464	1.9
195.10240	0.5
195.17455	23.2
198.06779	0.5
213.05415	4.5
213.09091	2.8
213.12764	1.6
213.16415	1.5
213.18491	18.9
231.06555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05272	1.5
55.05516	22.7
57.03427	3.2
57.07064	5.4
59.04996	3.3
60.76500	1.2
64.24422	1.1
66.43396	1.1
67.05515	13.4
69.03427	3.7
69.07076	53.7
69.53552	6.2
71.04999	10.0
71.08604	1.9
79.05493	9.8
81.03418	1.9
81.07067	35.6
83.04968	4.1
83.08627	14.3
85.02930	1.6
85.06550	18.9
88.07657	1.5
91.05471	3.9
93.06480	1.8
93.07046	22.8
95.06557	1.1
95.08614	61.2
97.06542	5.6
97.10184	16.0
99.04413	1.9
99.07498	2.0
99.08105	31.6
102.63548	1.1
103.05462	1.2
105.07021	5.2
107.08607	44.1
109.02863	2.8
109.06532	1.4
109.10165	19.6
111.08093	13.1
111.11724	5.7
113.09665	8.4
119.08576	3.0
121.10161	66.4
123.11727	7.1
125.09626	8.9
127.03886	4.8
135.10715	1.5
135.11702	23.8
137.09607	1.1
137.13268	22.6
139.11201	7.2
142.07697	1.3
149.13293	6.2
151.14885	3.1
153.12717	6.1
157.10127	3.0
160.66855	1.2
167.10623	2.2
171.11603	2.0
177.16406	100.0
185.09546	2.1
195.06403	1.9
195.08154	1.5
195.10083	1.9
195.13702	1.3
195.17448	16.7
213.05469	6.6
213.09061	4.7
213.12769	5.2
213.16362	3.7
213.18478	15.4
231.06609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14617	0.7
53.03944	1.9
55.01864	3.5
55.05500	2.7
56.05035	1.6
56.96568	36.4
57.03444	9.5
58.06589	1.2
58.99855	2.0
59.04982	1.2
61.02930	8.4
65.03932	1.6
65.76320	0.8
67.05501	2.3
68.05024	2.7
68.26060	0.8
68.98280	1.1
69.03436	10.5
69.07085	5.2
70.03751	0.8
70.06255	1.3
70.06596	16.9
70.92160	1.1
70.92492	1.6
70.98100	2.3
70.99862	1.6
71.01340	1.3
71.04978	3.2
71.06914	2.9
71.95271	0.9
72.04542	0.8
72.08144	3.3
72.93787	2.5
72.96082	0.9
73.02923	10.5
73.06532	1.7
74.06056	0.8
74.97617	0.8
75.04477	1.2
77.00904	1.9
79.05490	2.1
81.03426	8.6
81.07045	0.8
82.01448	2.4
82.06573	3.7
82.99854	3.5
83.00768	0.8
83.04974	1.9
83.06111	0.9
84.01229	0.8
84.04491	1.5
84.08146	17.4
84.96033	3.4
85.01418	1.2
85.02909	14.1
85.08472	0.9
86.03220	1.1
86.03677	2.8
86.06067	1.6
86.09710	72.7
86.99318	1.0
87.04458	2.6
88.99097	1.4
89.00853	1.0
90.94833	1.2
91.05476	2.8
92.05840	1.1
93.07029	1.1
94.06570	1.0
95.04949	0.9
95.06107	1.2
96.01536	1.3
96.04498	7.7
96.08141	1.0
97.01436	0.8
97.02360	1.1
97.02894	9.4
97.06535	7.5
97.96828	1.4
98.03214	0.9
98.06060	1.6
98.09693	1.0
98.97588	21.0
99.04457	3.1
100.00095	1.2
100.01812	1.0
100.02488	7.2
100.05263	1.7
100.07630	3.7
100.99149	6.9
101.00202	1.8
101.00884	36.8
102.00980	1.6
102.02274	1.9
102.96872	0.9
103.00636	3.3
103.02423	2.7
103.03154	0.8
103.05463	1.1
105.00319	1.0
105.02159	0.9
105.07026	1.4
107.04958	3.9
108.01553	1.0
108.02376	1.2
108.08131	1.0
109.02907	3.1
109.06498	0.9
110.01352	1.2
110.06049	0.8
110.07169	2.1
110.97567	6.3
111.01945	1.0
111.02938	1.1
111.04453	1.1
112.07613	9.6
112.99161	1.6
113.00903	3.7
113.06001	0.8
113.07912	0.9
113.96402	1.6
114.04046	1.0
114.05500	1.2
115.02427	6.4
115.03947	1.0
116.01266	0.8
116.07101	1.8
116.98621	13.1
117.02117	2.5
117.02912	0.9
117.03952	0.9
118.01086	1.2
118.03538	9.6
118.92058	0.7
119.00172	3.3
119.01925	100.0
120.02013	3.1
120.03294	1.0
121.01667	5.3
121.02889	1.6
121.06522	2.2
122.01276	1.0
123.02112	1.3
124.02496	0.9
124.07533	1.2
124.99100	0.8
126.02489	1.3
126.03360	1.0
126.96968	1.0
127.00654	0.7
127.02411	3.4
127.03919	3.9
127.08635	1.0
128.02121	0.9
128.98607	5.5
129.02185	1.2
129.03981	1.4
130.03506	1.7
131.00185	3.6
131.01889	13.8
132.02013	2.6
132.05051	2.0
132.95804	1.5
132.97946	1.3
133.01581	2.5
133.02545	1.5
133.03470	15.1
134.99663	4.8
135.03160	3.3
136.04570	1.4
136.06248	1.3
136.07565	1.6
136.93158	1.1
137.02957	26.2
137.04543	1.1
137.05957	2.1
138.02461	0.9
138.04007	2.0
139.02472	1.7
140.02263	1.8
140.07080	1.6
141.00053	1.2
142.01077	1.1
142.03545	5.8
142.05357	1.2
143.00174	1.2
143.01877	7.3
144.01956	1.0
144.05066	3.7
144.08714	1.4
144.98090	2.6
145.01665	3.0
145.03444	25.1
145.05130	1.2
146.03500	1.1
146.99638	4.3
147.01416	1.7
147.03191	1.4
147.05070	1.1
149.01196	4.4
149.02884	3.6
149.05981	2.4
149.96117	0.9
150.96869	2.9
151.04475	2.2
154.03557	2.2
154.08603	0.8
154.94170	2.7
155.01897	3.4
155.08128	1.0
156.03241	1.4
156.03691	1.1
156.05035	10.2
157.03416	4.7
157.97641	1.0
158.99622	2.0
159.03111	1.2
159.05078	0.9
160.04636	2.3
160.06349	5.4
161.01228	1.2
161.02939	13.0
162.03123	1.1
162.09769	2.0
162.99152	5.1
163.02626	4.3
163.04492	3.9
165.00731	4.7
165.04219	1.3
167.02026	1.3
168.03700	1.3
168.05054	8.3
168.06522	1.6
168.08676	3.4
168.10115	1.7
169.01743	0.9
169.03326	1.2
169.13280	1.1
170.04234	1.0
170.06653	1.7
170.99867	0.8
171.05070	1.0
171.99117	2.2
172.01488	2.3
172.02827	2.4
172.04587	7.2
172.06223	1.3
172.95264	2.4
172.97578	3.0
173.01230	3.2
173.02956	12.4
173.06595	9.2
174.04410	1.6
174.06108	1.4
174.98709	0.8
175.04535	5.9
177.00722	3.4
177.02409	2.1
177.04192	1.1
178.07378	3.0
178.08728	1.4
181.05003	1.5
182.03276	1.1
183.01785	1.3
185.02950	3.4
186.04547	1.6
186.06175	5.3
186.09767	54.5
187.02843	1.0
187.04561	2.1
189.02457	2.1
189.06178	0.9
190.00142	1.9
190.03864	2.4
190.05661	3.1
190.07310	4.2
190.96432	1.1
190.98634	8.6
191.00206	1.3
191.02260	3.8
191.04018	15.0
191.05841	1.5
191.07645	9.9
193.04419	2.2
196.04607	4.1
196.06186	1.8
196.08224	3.3
197.03026	1.2
197.06586	5.2
198.04645	1.5
199.04582	0.9
200.02150	1.3
200.04045	2.3
201.02454	1.1
202.04851	1.4
203.03973	2.5
204.10826	19.7
207.05164	1.4
208.99657	10.4
209.03096	1.9
209.05057	1.5
209.11324	1.3
211.02815	0.9
211.04671	1.2
214.00208	1.9
214.02119	0.9
214.03838	4.0
214.05667	15.0
214.07431	11.9
214.09254	30.2
214.10786	3.6
214.12601	1.6
214.14474	2.0
215.00407	1.4
215.04004	2.1
215.07617	4.5
215.13899	1.5
219.01764	1.5
221.05142	2.2
232.01372	1.8
232.04910	2.4
232.08623	6.2
232.10374	66.1
233.05096	1.5
233.08749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1852
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.60636	0.6
53.03962	0.6
54.05492	0.7
55.01877	3.2
55.05519	9.4
56.76621	0.6
57.07068	2.5
67.05512	3.5
69.03411	0.9
69.07078	17.1
69.47614	3.2
69.48032	1.3
71.05014	3.1
79.05513	4.0
81.07069	17.5
83.04987	0.7
83.08633	10.0
85.06544	4.0
91.05486	2.8
93.07063	12.9
93.40901	0.7
95.08624	35.5
97.10190	8.4
98.20770	1.4
99.08111	24.8
105.07002	3.0
107.08612	36.5
108.55664	0.7
109.10174	10.6
111.08097	15.8
113.09657	3.3
118.96829	0.7
119.08623	0.7
121.10163	61.5
123.11690	2.2
125.09660	6.1
125.13318	0.8
135.11699	10.3
137.13277	8.6
139.11166	2.1
149.13289	4.0
177.16414	100.0
178.16759	0.7
195.17487	14.4
213.09248	0.7
213.18509	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05272	1.5
55.05516	22.7
57.03427	3.2
57.07064	5.4
59.04996	3.3
60.76500	1.2
64.24422	1.1
66.43396	1.1
67.05515	13.4
69.03427	3.7
69.07076	53.7
69.53552	6.2
71.04999	10.0
71.08604	1.9
79.05493	9.8
81.03418	1.9
81.07067	35.6
83.04968	4.1
83.08627	14.3
85.02930	1.6
85.06550	18.9
88.07657	1.5
91.05471	3.9
93.06480	1.8
93.07046	22.8
95.06557	1.1
95.08614	61.2
97.06542	5.6
97.10184	16.0
99.04413	1.9
99.07498	2.0
99.08105	31.6
102.63548	1.1
103.05462	1.2
105.07021	5.2
107.08607	44.1
109.02863	2.8
109.06532	1.4
109.10165	19.6
111.08093	13.1
111.11724	5.7
113.09665	8.4
119.08576	3.0
121.10161	66.4
123.11727	7.1
125.09626	8.9
127.03886	4.8
135.10715	1.5
135.11702	23.8
137.09607	1.1
137.13268	22.6
139.11201	7.2
142.07697	1.3
149.13293	6.2
151.14885	3.1
153.12717	6.1
157.10127	3.0
160.66855	1.2
167.10623	2.2
171.11603	2.0
177.16406	100.0
185.09546	2.1
195.06403	1.9
195.08154	1.5
195.10083	1.9
195.13702	1.3
195.17448	16.7
213.05469	6.6
213.09061	4.7
213.12769	5.2
213.16362	3.7
213.18478	15.4
231.06609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03946	1.9
55.01870	1.9
55.05509	16.3
57.03437	2.1
57.07080	6.5
67.05183	1.1
67.05508	13.8
69.03420	2.7
69.07072	19.9
69.60719	4.2
70.06588	2.3
70.61006	0.8
71.04994	7.0
71.08616	0.9
79.05495	15.0
81.03391	1.9
81.07059	45.5
83.04991	2.2
83.08619	16.0
85.06546	11.3
86.09721	1.5
88.07633	1.0
91.05488	6.4
93.07047	28.5
95.04935	1.1
95.08610	69.6
97.02921	0.8
97.06529	1.8
97.10170	7.8
98.97575	3.5
99.04459	1.2
99.08091	9.7
100.07655	1.5
105.07046	4.2
105.19264	0.8
107.08595	53.8
109.02894	1.2
109.10165	29.2
111.04414	1.0
111.08073	6.5
111.11723	2.3
113.09641	2.4
116.98636	1.4
119.04971	3.7
119.08578	2.8
121.06519	1.1
121.10146	67.3
123.08038	2.0
123.11720	8.9
125.09621	3.3
125.13264	1.3
127.03938	2.2
128.07069	1.1
133.10123	1.6
135.08015	1.1
135.11705	16.1
137.13245	12.6
139.11201	6.2
149.09613	2.6
149.13263	5.6
151.07587	1.2
151.11086	0.9
151.14815	2.9
157.06503	1.1
158.99643	2.5
165.16365	5.5
167.10716	1.5
172.72946	0.8
177.00740	1.0
177.09111	2.7
177.16391	100.0
183.17418	2.6
195.06488	1.3
195.10184	1.6
195.13814	1.5
195.17459	13.1
213.05437	3.9
213.09045	2.3
213.12871	1.1
213.16614	1.7
213.18488	6.3
214.15855	1.1
218.55878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03928	1.8
53.15591	1.1
55.01854	2.6
55.05495	5.7
56.96569	10.0
57.03413	4.4
61.02897	2.0
65.03924	1.7
67.05514	6.7
68.99747	1.4
69.03436	8.9
69.07034	4.0
69.50537	5.8
69.50957	2.8
70.06597	24.8
71.04975	3.8
72.08163	9.2
73.02925	1.5
79.05502	12.7
81.03420	6.7
81.07075	7.6
82.06575	2.1
83.04950	4.4
83.08598	2.5
84.08120	4.3
85.02908	7.7
86.03235	1.4
86.09712	8.5
87.04469	1.5
88.07602	2.6
91.05487	43.0
93.06503	1.5
93.07048	24.7
95.04959	7.5
95.08620	7.3
95.09111	1.2
97.02910	6.9
97.06496	4.7
98.03196	1.5
98.96980	1.4
98.97596	10.5
99.04429	3.0
99.97894	2.1
103.05496	2.0
105.07038	33.1
107.04998	7.1
107.08603	50.3
109.02863	3.3
109.06477	5.4
109.10180	1.6
110.07153	1.4
111.04424	3.4
111.08060	2.1
116.06229	3.7
116.07006	3.4
116.88722	1.4
116.98564	5.1
117.06988	3.6
119.04924	5.6
119.08589	100.0
121.02888	9.8
121.06451	5.7
121.07303	1.4
121.09344	1.8
121.10152	25.7
123.04434	2.5
123.08066	8.1
123.11673	2.2
124.07619	1.6
125.05937	4.7
125.06813	1.5
125.09594	1.6
127.03949	7.7
127.04673	1.3
128.98602	1.3
129.06970	4.2
130.96248	6.3
131.08571	30.7
133.06444	5.2
133.10155	8.5
135.04396	3.0
135.08009	6.2
136.07541	1.8
137.05928	5.3
137.09631	6.6
139.03871	1.8
143.00095	2.4
147.03256	1.7
147.04382	2.2
147.06961	2.1
147.08054	29.7
148.97392	11.2
149.05981	3.3
149.09628	32.4
151.03871	2.6
151.07559	2.8
151.11172	2.3
153.05438	6.1
153.09035	4.0
155.54793	4.2
158.99638	2.6
159.08076	8.1
161.01178	1.7
161.02888	2.7
164.55377	1.8
165.07809	2.3
165.09111	33.4
167.05273	3.1
167.06978	5.4
167.10657	15.2
177.00595	1.7
177.09106	28.2
177.10539	1.0
181.04951	2.6
185.16554	2.3
188.92416	4.0
189.97543	4.0
192.06155	1.4
195.04829	3.0
195.06465	6.9
195.08344	2.9
195.10156	36.1
201.00645	1.9
207.98676	2.2
209.39873	1.4
210.56961	1.3
212.56261	2.5
213.03735	2.1
213.05458	3.3
213.07172	2.6
213.09329	4.8
213.11145	70.4
213.15967	4.1
214.10739	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.57684	0.5
53.03947	1.6
55.05267	0.5
55.05513	14.9
57.03442	1.1
57.07083	7.4
61.17855	0.5
67.05516	4.2
69.03426	1.2
69.07078	3.4
70.06590	0.7
71.04987	0.9
71.27782	0.8
79.05517	2.9
81.07063	6.4
83.04993	7.7
85.06563	4.5
88.07639	1.0
91.05479	3.2
93.07061	12.8
95.04958	1.8
95.08619	11.8
97.06551	4.5
105.07032	4.0
107.04942	0.7
107.08609	18.2
109.06515	4.2
109.10195	3.4
111.04454	100.0
111.08077	4.0
113.06039	0.9
117.07024	2.0
119.08581	2.1
121.06532	2.4
121.10165	3.6
122.07303	1.3
123.08101	1.3
125.06006	28.8
127.07584	3.1
128.06261	0.8
130.07819	1.4
131.08598	0.8
133.10152	0.7
135.08075	15.4
135.11705	23.3
137.09628	0.7
137.13301	1.7
139.07545	5.2
143.08588	1.9
145.10130	18.0
153.12788	5.9
156.09416	0.7
157.10168	2.5
163.11200	27.7
171.11710	1.6
181.12254	61.7
185.13277	0.7
195.13802	6.1
213.12747	2.8
213.14819	2.1
213.16571	4.6
214.10805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03935	4.3
53.09673	2.0
53.98225	1.9
54.32020	1.6
55.01869	5.1
55.05514	25.4
57.03428	7.6
57.07065	4.9
57.65701	1.8
65.03938	3.3
66.89435	2.0
67.05511	72.8
69.03410	3.3
69.06729	2.7
69.07076	31.0
71.04986	7.7
71.52327	3.6
79.05501	41.4
81.03397	5.7
81.07063	100.0
83.04986	9.3
83.08625	23.6
83.27362	1.9
84.49826	2.2
85.06548	7.6
88.07644	7.0
91.05485	28.3
93.06492	4.0
93.07055	67.7
95.04984	8.7
95.08616	30.4
97.06536	15.4
97.10181	3.0
99.04442	2.8
99.08067	3.4
105.07037	15.1
107.08607	38.9
109.02866	3.9
109.06481	3.8
109.10140	6.5
111.08102	12.8
115.05512	2.1
117.07029	13.2
119.08594	10.4
121.06511	2.8
121.10143	23.4
123.11711	5.1
125.09612	3.0
127.03931	3.0
128.06229	4.8
129.07010	6.0
131.08586	14.3
133.10143	19.8
135.08069	4.8
135.11711	25.1
139.11281	2.5
139.13637	2.1
141.06982	2.2
142.07802	6.7
143.08595	6.4
145.10094	4.1
148.97313	2.2
149.09572	3.6
149.13275	50.6
151.11180	2.6
156.09377	3.3
157.06491	2.8
157.10101	15.0
159.11713	21.5
167.08557	3.3
171.11749	11.7
177.12787	11.1
177.16403	5.7
178.99048	2.2
185.05777	3.2
185.07205	3.5
185.09639	4.8
185.13260	2.7
195.06468	5.1
195.08131	2.5
195.10104	3.7
195.13806	15.3
213.05455	33.7
213.09004	13.0
213.12891	13.4
213.16342	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1124
Annotation	Melazolide A
Peak:m/z	Relative Intensity
50.32641	0.5
53.03960	2.6
55.01880	3.2
55.05516	3.6
56.96573	1.3
57.03443	2.9
57.07084	1.3
65.03950	1.6
66.91920	0.5
67.05505	4.6
68.99791	1.4
69.03432	3.7
69.07082	1.6
70.06594	5.0
71.05002	2.2
71.50852	0.6
72.08178	1.2
73.02934	1.0
78.29031	0.5
79.05502	12.5
81.03421	4.8
81.07052	6.4
83.04991	3.3
83.08614	1.1
84.08110	0.6
85.02910	3.7
86.06042	0.6
86.09710	1.6
87.00856	1.5
88.07648	2.1
91.05489	40.9
93.07050	24.1
95.04987	4.1
95.08614	6.4
97.02898	3.6
97.06518	3.3
97.10174	0.5
98.97598	0.9
99.04471	2.4
101.86990	0.6
103.05494	1.1
105.07040	37.7
106.07881	0.6
107.04967	4.7
107.08604	53.1
109.02911	4.5
109.06507	4.2
109.10161	1.9
110.03712	1.1
111.04464	2.4
111.08118	1.8
115.03964	0.7
115.05482	1.1
116.06240	2.1
116.07071	1.1
117.07001	3.2
119.04969	4.7
119.08591	100.0
120.05739	0.6
120.09007	0.7
121.02877	27.3
121.06491	3.6
121.10153	29.1
123.04427	1.7
123.08080	9.0
123.11745	0.8
125.02356	1.5
125.05989	2.3
125.09628	3.5
126.05434	0.6
127.03931	8.5
128.06267	0.7
128.98616	0.7
129.07016	3.9
130.96320	1.1
131.08575	35.1
132.05742	0.8
133.06531	2.7
133.07462	0.8
133.10139	9.6
135.04445	1.8
135.08067	9.7
135.11790	0.9
137.06010	2.0
137.09631	4.3
139.03964	2.7
139.11232	0.7
141.05458	1.0
142.07730	0.6
147.08061	29.8
148.97359	2.2
149.05986	2.2
149.09633	37.5
151.03943	1.1
151.07544	1.4
151.11209	1.5
153.05522	3.8
153.09132	3.7
157.06445	1.2
157.10135	1.0
159.08083	8.3
159.11688	0.8
163.03862	1.1
165.09128	37.3
167.07167	3.7
167.08418	1.0
167.08994	0.6
167.10672	13.1
169.05025	0.7
171.11714	0.6
177.09119	32.5
181.05063	0.9
185.05977	1.6
185.09630	1.4
189.97675	0.7
192.05473	0.9
195.06613	2.7
195.10178	39.8
198.84067	0.7
201.05966	0.8
207.98759	0.9
213.05388	1.7
213.06860	3.6
213.09406	3.4
213.11211	94.8
229.06490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01873	1.6
55.05272	0.9
55.05523	17.1
56.96565	0.7
57.03442	1.8
57.07093	7.8
59.05010	0.9
62.22641	0.6
65.03964	1.1
66.42035	0.8
66.87125	0.6
67.05187	0.9
67.05519	14.5
69.03445	1.3
69.07083	24.1
69.61311	1.6
69.61714	3.8
70.06599	1.9
71.05012	6.0
71.08643	1.2
79.05512	14.1
81.03419	1.1
81.07072	44.3
83.04987	2.5
83.08633	17.8
85.02895	0.9
85.06099	1.0
85.06567	13.3
86.09721	1.9
88.07647	1.3
91.05505	7.4
93.06487	1.5
93.07063	31.2
95.04955	1.9
95.08627	75.5
97.06551	2.2
97.10195	6.4
98.97604	4.8
99.04500	0.9
99.08115	8.4
100.07599	1.6
105.07047	4.9
107.04935	1.3
107.08617	52.6
109.06510	1.5
109.10180	30.1
111.04467	1.4
111.08112	5.7
111.11716	2.6
113.09697	1.6
113.23517	1.0
116.98634	1.2
119.04964	2.2
119.08617	2.5
121.10166	71.6
123.08059	2.2
123.11745	7.9
125.05963	0.9
125.09634	2.7
125.13323	1.3
127.03934	2.6
128.06247	0.8
128.07108	1.6
129.07007	0.8
131.08665	0.8
133.10158	2.1
135.08047	1.0
135.11725	18.5
137.13280	11.7
139.11209	6.3
149.09602	1.7
149.13286	6.3
151.07555	1.8
151.14841	1.8
153.12798	1.1
157.06532	0.8
158.99648	2.2
165.16414	7.3
167.08575	0.8
167.10684	1.1
168.13921	0.8
177.00635	0.8
177.09177	2.6
177.16422	100.0
183.17529	2.8
185.09612	1.0
195.06438	1.0
195.10155	1.0
195.13789	2.4
195.17500	12.3
196.13435	2.0
196.28477	0.7
213.05426	6.1
213.09114	2.4
213.12727	2.7
213.18494	8.7
226.59660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.34793	1.6
53.03949	2.4
55.01862	6.1
55.05514	17.3
56.96563	2.2
57.03444	14.9
57.07064	2.7
57.35505	1.7
58.57614	1.6
59.98175	1.4
63.96725	1.6
67.05511	71.7
68.57534	1.9
69.03414	2.2
69.06735	2.1
69.07079	26.4
70.63569	5.3
71.04993	8.3
71.21547	1.6
79.05499	37.8
81.03433	2.4
81.07063	100.0
83.05007	13.1
83.08618	18.4
85.06535	5.6
86.76949	1.5
88.07625	5.3
90.93211	1.7
91.05494	17.4
93.07052	65.5
95.04972	5.6
95.08622	26.7
97.06535	13.8
98.51232	1.7
99.04433	3.1
99.08088	6.9
105.07041	7.5
107.04928	2.3
107.08607	33.3
109.06545	3.4
109.10187	3.6
111.08069	10.6
113.09659	2.2
113.39598	1.7
117.07046	11.5
119.08588	5.3
121.06515	2.6
121.10155	24.4
128.06180	2.3
129.06992	4.0
131.08594	12.9
133.10156	11.6
135.08107	2.2
135.11729	15.2
137.13225	2.0
143.08531	3.8
147.11684	2.5
149.13268	56.8
153.09021	1.7
157.10118	9.4
159.11700	26.2
167.14325	3.1
171.11694	5.4
177.12762	10.5
177.16315	3.9
195.06522	3.1
195.12025	2.2
195.13710	9.6
213.05453	4.9
213.07248	1.8
213.09094	5.7
213.12701	6.2
213.16467	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03951	4.6
55.05521	23.9
55.18618	2.1
57.03435	3.8
57.07073	4.2
59.04987	2.7
67.05512	32.8
69.03425	8.3
69.07064	16.8
69.96568	7.6
71.04985	8.3
73.37167	2.1
79.05501	20.5
81.03429	4.1
81.07061	46.9
83.04974	7.5
83.08643	9.9
85.06537	8.4
91.05486	29.1
93.07053	40.9
95.04976	100.0
95.08614	55.8
95.25886	2.3
97.06532	6.8
97.10207	2.6
98.20904	3.2
99.04504	4.0
99.08105	56.2
101.06022	2.7
103.05524	2.4
105.07034	29.7
107.04977	4.1
107.08607	53.1
109.06528	10.0
109.09396	3.0
109.10158	55.3
111.08086	9.7
113.09705	3.4
117.07040	2.3
119.04939	8.6
119.08588	52.5
121.06515	3.7
121.10150	23.1
123.04411	3.0
123.08071	7.4
123.11712	13.8
125.09631	14.5
131.08588	5.1
133.10144	63.2
135.11711	40.6
137.06007	3.7
137.09624	56.9
147.08138	2.3
147.11719	10.3
149.05975	6.9
149.09659	3.5
149.13304	4.7
151.07591	6.4
151.11221	5.0
151.14966	2.7
155.10683	28.4
163.14783	11.9
165.12894	3.0
165.16447	3.0
167.07068	21.6
175.14828	58.7
181.08611	2.8
193.15909	35.1
201.25937	2.3
204.36464	2.1
211.16953	37.4
224.21562	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0556
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
53.62017	0.4
55.01880	0.5
55.05541	0.9
56.96568	1.4
65.03943	5.8
67.05508	0.9
69.03436	1.6
69.07080	0.8
69.41756	0.5
70.06611	1.4
71.05001	0.7
71.50990	0.6
72.93790	0.5
73.02950	1.1
79.05508	0.8
80.05042	1.2
81.03429	3.5
81.07082	1.0
82.06586	0.6
84.08176	0.9
85.02909	3.2
86.06078	1.2
86.61428	0.5
87.04471	0.6
91.05481	0.7
92.05009	5.8
94.06574	0.9
95.04971	0.9
95.08649	0.7
96.08138	2.5
97.02902	1.7
98.97600	1.6
106.02943	1.7
106.06584	1.4
109.02896	3.8
110.06060	0.5
110.97626	0.5
116.98561	0.6
120.04440	0.9
120.08143	0.7
121.06525	0.8
122.06026	2.5
123.04451	1.8
124.04767	4.2
124.07612	3.4
124.08393	0.6
127.03966	1.6
136.07608	1.8
136.10709	0.5
138.05475	0.9
138.09190	1.4
143.01817	0.8
145.04982	0.8
148.03941	2.0
148.05014	0.6
149.03131	0.6
150.05455	0.7
151.03874	0.8
152.07030	1.0
166.05011	100.0
166.08606	2.5
167.05402	0.8
167.07004	0.7
168.07446	0.9
176.03444	4.1
179.54593	0.6
188.92421	0.9
194.04498	74.0
194.08188	2.3
195.04874	0.7
212.05536	6.5
212.09225	2.8
212.12834	1.6
212.16469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01867	0.9
55.02130	0.2
55.05507	0.8
56.05033	0.3
56.96566	0.9
57.03431	0.5
57.07056	0.4
65.03941	2.4
65.41022	0.3
65.51704	0.2
66.18700	0.2
67.05498	1.5
68.99764	0.3
69.03416	1.1
69.07086	1.3
70.02964	0.3
70.06598	3.2
70.94202	0.2
71.01364	0.4
71.04985	0.8
71.50523	0.4
72.08154	0.3
74.06066	0.5
75.48015	0.2
76.28445	0.3
79.05498	1.8
81.03424	1.3
81.07072	1.9
83.04987	0.9
83.08616	0.4
84.08125	0.4
85.02901	0.5
85.06561	0.4
86.09711	0.4
88.07633	1.0
91.05479	3.0
93.07053	2.1
95.04977	2.3
95.08610	1.0
97.02881	1.3
97.06547	0.8
98.97596	0.6
99.04446	0.8
99.08130	0.3
105.07017	1.6
106.02531	0.2
107.04946	1.3
107.08599	3.3
109.02882	0.8
109.06547	0.5
109.10139	0.6
110.07178	0.4
111.04436	2.2
111.08072	0.6
113.09599	0.3
116.07123	0.5
116.98637	0.4
117.07037	0.3
119.04942	1.2
119.08599	2.2
121.02876	100.0
121.06490	1.1
121.10138	1.3
122.03192	0.4
122.09653	0.3
123.04424	0.9
123.08087	1.0
125.02424	0.3
125.06031	0.9
125.09663	0.5
127.03913	1.4
128.00752	0.3
129.06972	0.4
130.96321	0.9
131.08611	1.4
133.10130	0.5
135.04405	0.8
135.08058	0.7
135.11717	0.3
137.06003	1.1
139.03902	1.2
139.82521	0.3
140.04721	0.3
141.05507	0.3
142.07700	0.3
147.08067	1.1
148.97360	1.6
149.06018	0.4
149.09596	2.2
151.03900	0.6
151.07530	0.3
153.05522	1.0
153.09108	0.4
155.07050	0.5
157.06479	0.4
159.08112	0.4
163.03862	0.4
165.09166	0.9
167.07060	1.2
167.08437	0.3
167.10712	1.1
177.05550	0.3
177.09068	2.0
181.04997	0.4
185.09727	0.4
189.97670	0.7
195.06506	2.1
195.08307	0.4
195.10150	1.9
195.11700	0.3
213.05511	0.6
213.07364	1.1
213.09171	1.1
213.11278	2.4
213.16046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03953	1.3
54.26942	0.9
55.01630	1.4
55.01878	18.8
55.05273	1.2
55.05518	16.5
56.96572	1.7
57.03438	4.3
57.07069	2.0
65.03944	1.4
67.05511	35.7
69.03414	1.3
69.06729	1.7
69.07074	19.0
70.95050	1.2
71.04987	3.6
73.02905	0.8
73.06516	1.1
79.05499	25.5
81.03438	1.8
81.07064	100.0
82.76642	0.8
83.04993	8.8
83.08621	9.7
85.06539	6.0
91.05488	34.1
93.07052	17.3
95.04967	5.8
95.08615	20.0
97.02275	0.8
97.06542	9.0
99.04461	1.3
99.08086	3.9
101.05984	1.1
103.05447	1.1
105.04563	1.0
105.07042	45.9
107.08611	11.9
109.06525	8.2
109.10139	3.0
111.08076	2.5
113.06001	1.5
113.09544	1.0
119.08596	35.2
120.23590	0.9
121.06512	0.9
121.09333	1.8
121.10156	22.6
123.08057	3.9
123.10830	1.8
123.11720	31.9
127.07551	2.9
129.07005	4.0
131.08604	4.4
133.10141	18.5
137.13232	2.8
138.32619	1.0
147.11703	64.3
149.09543	1.1
151.11177	1.4
155.08588	1.2
157.10127	8.7
165.12770	13.0
167.07047	2.1
169.10027	1.1
175.11192	9.2
175.14693	1.4
188.81334	1.0
193.12244	8.8
211.07620	1.9
211.11374	2.1
211.13257	3.3
211.16687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	1.8
55.05515	14.2
57.03429	3.0
57.07075	3.2
59.67419	1.4
67.05509	19.3
69.03427	3.3
69.07074	17.6
71.05003	12.7
79.05487	18.6
81.03431	2.1
81.06597	3.1
81.07066	51.6
83.04968	4.5
83.08609	3.8
85.06552	8.8
91.05480	22.7
93.06485	2.8
93.07052	47.7
95.04967	4.6
95.08612	53.5
97.06526	5.0
97.10189	3.1
99.04398	1.7
99.08070	7.7
105.07041	42.5
107.08605	65.6
109.06520	5.4
109.10159	32.7
110.86517	1.4
111.08121	3.0
113.09639	4.6
116.09525	1.1
116.31611	1.5
117.07036	2.1
119.04980	1.5
119.08591	82.8
121.06554	1.7
121.10165	15.9
123.04471	3.0
123.08065	3.9
123.11715	16.4
125.09647	8.4
127.11230	1.6
128.20447	1.8
131.08566	3.8
133.10141	94.6
135.11703	100.0
136.12045	1.6
137.09625	9.9
146.35991	1.4
147.04436	2.3
147.11707	13.9
149.13269	7.3
151.03836	1.5
151.11223	3.8
151.14894	1.8
160.55725	1.6
163.14816	25.8
165.12650	2.2
165.16432	1.5
167.07079	13.5
175.11273	2.6
175.14838	96.7
181.08578	2.2
181.15942	2.1
193.12268	5.6
193.15901	22.9
211.07526	4.7
211.11084	2.1
211.15033	2.9
211.16913	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.81093	1.1
55.05514	13.5
55.71900	1.2
56.05860	1.8
57.03434	1.3
57.07067	3.1
59.04995	3.8
65.03954	1.1
67.05509	25.9
69.03426	4.7
69.07074	12.8
70.72210	2.8
71.04996	6.7
79.05485	6.6
81.07060	27.1
83.04984	5.2
83.08640	9.7
85.06534	6.8
91.05463	6.4
91.39248	1.6
93.07047	19.0
93.67393	1.3
95.04964	4.4
95.08613	48.4
97.06517	3.2
97.10166	3.0
99.04452	1.6
99.08096	12.4
105.07040	14.4
107.08597	25.0
109.06515	4.7
109.10163	52.8
111.04445	1.7
111.08068	2.8
113.06033	1.1
113.09645	5.2
115.07566	1.9
117.06975	1.5
119.08588	62.0
121.10172	8.0
123.08067	7.1
123.11727	8.5
125.09686	3.1
131.08585	2.1
133.10139	100.0
135.11703	52.5
137.09624	12.1
147.11708	5.5
149.13226	2.9
151.11182	2.3
151.14810	4.1
159.13600	1.6
163.14818	4.5
165.16382	2.4
167.07031	2.7
175.14838	85.0
181.15820	1.7
183.15813	5.7
193.15891	19.8
201.39240	1.2
211.07646	1.8
211.15150	4.7
211.16949	20.1
213.51874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03935	1.7
55.01873	0.8
55.05515	4.5
57.07060	2.3
59.05000	1.0
67.05515	5.7
68.15212	0.7
69.03426	1.5
69.07075	6.1
71.04996	4.3
71.17058	1.5
79.05499	5.7
81.03410	2.5
81.07055	16.0
83.04980	2.7
83.08629	3.1
85.06529	0.9
91.05486	7.1
93.07050	12.8
95.04961	3.1
95.08610	28.2
97.06503	1.7
99.04436	2.9
99.08099	12.2
105.07030	13.2
107.08598	18.8
109.10153	10.2
111.08215	0.9
113.06033	0.9
113.09653	4.5
114.75053	0.8
117.07064	1.2
119.08590	55.7
121.10126	3.0
123.04428	1.2
123.08076	1.4
123.11734	6.1
125.09634	2.8
131.08562	1.3
132.82910	0.8
133.10136	100.0
134.10492	0.9
135.11697	34.5
137.05936	0.8
137.09631	3.3
145.10184	1.1
147.11638	4.0
149.06012	0.8
151.14885	0.7
153.12743	0.7
155.10617	1.1
158.17749	0.7
160.20074	0.9
163.14868	1.1
167.07024	4.9
175.14833	87.5
182.15408	0.7
193.12285	1.9
193.15913	7.9
198.21359	0.8
211.07742	1.9
211.14941	2.1
211.16982	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.82861	1.6
53.03944	4.4
54.18610	1.5
55.01864	7.1
55.05518	44.8
57.03443	12.7
59.04998	1.7
61.53913	1.4
67.05183	3.0
67.05513	31.3
69.03438	13.1
69.07069	11.5
69.55523	1.5
71.04994	6.9
71.38138	2.9
73.89719	1.5
75.37305	1.5
79.05504	26.1
81.03429	100.0
81.07063	37.0
83.04498	2.4
83.04992	49.9
83.08630	35.0
85.02929	1.8
85.06544	3.5
87.04467	2.2
91.05495	35.2
93.07056	19.1
95.04983	34.8
95.08619	14.9
97.06535	6.7
97.10167	6.6
99.08099	3.7
104.25479	1.6
105.07045	24.9
107.04983	8.9
107.08623	9.3
109.06529	8.5
109.10162	7.4
111.04437	4.0
111.08091	13.6
119.08595	21.9
121.06507	2.0
121.10157	8.2
123.08066	3.8
123.11668	2.7
125.09641	2.5
127.99702	2.0
129.07004	12.2
131.08609	12.6
133.06500	4.5
133.10153	14.3
137.05971	3.3
137.09602	3.3
142.07813	2.7
145.10062	2.3
147.08047	5.2
147.11690	12.9
149.09647	7.3
151.89545	1.6
157.10158	19.2
165.12755	3.1
167.07007	3.4
169.10085	1.9
175.11211	18.9
175.14813	2.9
192.02829	3.1
193.12271	47.0
193.15891	2.8
201.03375	2.6
211.07626	1.9
211.13301	26.9
211.15181	1.2
211.16924	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.13289	1.8
53.03939	5.1
55.01864	5.2
55.05516	36.7
56.96573	43.5
57.03429	7.9
57.07079	3.9
59.05008	2.6
67.05178	2.7
67.05508	35.6
69.03432	10.5
69.07071	13.3
71.04990	6.1
71.52210	3.8
74.97624	2.3
79.05500	29.9
80.44592	1.8
81.03427	100.0
81.07061	35.3
83.04989	43.5
83.08627	34.0
84.96037	8.2
85.06526	2.5
91.05489	37.2
93.07060	17.2
93.21642	1.6
95.04974	31.8
95.08607	18.4
97.02859	3.1
97.06529	6.3
97.10162	7.6
97.99189	17.0
99.08110	3.8
99.63913	1.7
100.85268	1.7
105.07056	24.5
105.33912	1.7
107.04962	6.9
107.08586	10.1
107.35724	1.9
109.06505	7.8
109.10158	7.3
111.04433	2.5
111.08114	13.2
116.00236	6.8
117.07053	2.9
119.08590	21.6
121.06532	2.3
121.10169	10.3
123.04482	2.0
123.08069	5.0
123.11692	3.2
125.09664	3.6
127.67574	1.8
129.07025	11.6
131.08568	12.5
133.06522	3.7
133.10130	18.3
135.11667	2.9
137.09644	4.0
147.08066	4.5
147.11713	15.9
149.09615	7.7
151.11235	2.5
154.29851	1.6
155.08597	2.4
157.10188	13.9
165.12814	2.3
169.10246	2.5
171.61618	1.9
175.11197	19.8
183.11752	2.5
189.51718	2.6
191.66597	1.8
193.12267	54.8
196.00970	2.1
196.12457	2.1
211.11342	4.5
211.13284	29.0
211.14934	5.7
211.16649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01866	2.9
55.05516	9.1
57.07077	7.8
59.05007	2.1
59.78182	1.2
67.05508	9.2
68.99807	1.3
69.03097	1.5
69.03441	26.3
69.07071	6.5
69.83051	5.1
69.83457	2.7
76.81045	1.2
79.05495	6.8
81.07072	13.4
83.04991	21.4
83.08615	5.7
85.06553	9.2
90.18053	1.4
91.05488	9.7
93.03397	1.7
93.07050	10.3
94.23998	1.4
95.04961	11.7
95.08611	12.2
97.06532	7.8
97.10160	2.2
99.04464	1.7
103.05506	2.1
105.07059	8.6
106.04198	8.8
107.04931	2.4
107.08606	33.7
109.06520	20.8
109.10160	6.6
111.08105	10.9
119.08575	5.1
121.06521	9.5
121.10166	13.8
123.08064	5.4
123.11704	5.3
124.29929	1.2
125.09643	72.8
131.08592	8.6
133.10156	11.3
135.07132	1.7
135.08078	17.6
135.11687	8.2
137.13271	1.7
143.08578	2.2
145.10143	5.4
147.11697	5.6
149.06000	10.5
149.09642	12.1
149.13258	8.6
150.10347	2.0
151.11234	7.0
153.09113	18.5
156.32611	1.3
158.10930	6.4
161.09705	1.8
163.11201	4.5
163.14818	5.3
165.12772	13.7
167.14317	5.4
173.13289	25.1
174.02118	1.3
176.11928	1.6
177.05438	4.4
191.14320	100.0
203.52562	1.2
205.18451	1.3
209.08029	3.1
209.15378	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.3
53.03935	0.3
56.24009	0.2
56.96557	0.6
57.09684	0.2
59.92042	0.3
60.04531	0.2
61.85308	0.3
62.06084	0.5
69.03411	0.3
69.07082	0.3
69.47453	0.4
69.47853	1.6
70.14482	0.2
72.04524	1.6
72.93845	0.2
79.05505	1.7
84.08118	0.5
85.94623	0.4
87.04432	0.3
88.93371	0.2
91.05487	3.6
93.07050	0.6
95.01313	0.7
97.02911	0.2
98.97652	0.3
103.05480	5.1
105.07037	6.8
107.04967	2.5
112.03967	0.4
117.05773	0.9
117.07012	2.3
118.05038	0.4
118.06548	3.2
119.07330	5.8
119.08202	0.3
119.08610	0.6
120.08109	7.6
120.08955	0.5
121.06496	0.2
123.04456	0.3
128.06239	0.8
129.07008	5.0
130.06534	0.4
131.04921	1.6
131.07289	1.4
136.07542	0.4
140.33954	0.2
143.01819	0.3
144.08113	1.0
146.09659	6.8
147.04427	0.3
149.35849	0.3
152.21552	0.2
158.78745	0.3
160.03500	0.3
163.97609	0.3
164.10722	100.0
165.11061	1.1
168.06514	0.3
187.02780	0.5
192.10202	0.9
210.11270	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	211.133
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.61724	1.6
53.03932	5.4
53.34455	1.6
55.01876	16.3
55.05516	47.3
56.96569	13.4
57.03445	12.9
57.07067	4.7
59.04998	2.1
64.03131	1.5
65.03928	2.8
67.05508	53.4
69.03440	13.4
69.07075	26.9
69.29477	13.0
71.04999	12.8
71.08631	1.8
79.05499	45.5
81.03427	83.8
81.07065	100.0
83.04987	51.8
83.08147	2.9
83.08624	42.5
85.02897	2.1
85.06541	6.3
91.05491	57.8
93.06480	2.7
93.07048	35.6
95.04972	40.4
95.08612	38.0
97.02906	4.1
97.06538	17.2
97.10184	8.8
97.57088	1.6
97.99191	4.2
98.20697	3.6
99.04439	4.9
99.08063	6.9
105.07039	54.7
106.04175	2.4
107.04974	8.7
107.08611	27.6
109.06510	20.6
109.10161	16.0
111.04433	5.0
111.08108	14.8
113.06023	4.6
115.05444	3.0
116.06216	1.9
119.08592	49.8
121.06469	4.8
121.10149	26.4
123.04466	1.9
123.08055	9.2
123.11708	34.3
125.06027	2.2
125.09626	4.6
127.07581	3.0
129.07011	19.1
131.08595	16.0
133.06496	2.2
133.10133	27.4
135.08020	2.1
135.11707	13.3
137.09602	7.0
137.13242	3.4
142.07777	5.0
143.08595	2.0
145.10138	3.0
146.10638	1.7
147.08052	4.5
147.11703	64.6
149.05963	2.0
149.09673	9.9
151.03925	2.3
151.07565	3.4
151.11205	10.4
153.09172	1.7
154.07805	1.9
155.08572	2.8
155.10704	2.0
157.10141	27.5
165.05721	1.8
165.07042	3.4
165.12743	19.4
165.16423	1.9
167.07045	16.6
167.08340	3.1
169.10158	9.6
175.11197	29.5
175.14812	9.8
181.10144	6.9
183.08144	2.4
183.11661	3.9
193.12253	54.8
193.15935	6.8
195.11711	2.4
196.12482	14.6
197.02826	2.4
205.98776	1.9
211.07658	8.8
211.11140	6.0
211.13231	20.4
211.14844	28.9
211.16982	10.0
229.14450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	6.0
55.05516	39.2
56.96571	2.4
57.02219	1.5
57.03448	9.9
57.07085	1.9
59.05006	2.2
67.05510	30.9
69.03433	11.6
69.07077	10.8
71.04999	9.3
71.08627	1.4
71.15981	3.2
71.22677	1.4
79.05499	29.4
81.03423	100.0
81.07063	43.7
83.04987	48.7
83.08626	36.0
85.02898	1.6
85.06545	4.7
89.44341	1.5
91.05492	29.4
93.07041	21.4
95.04976	35.7
95.08605	20.6
97.02888	4.0
97.06528	7.3
97.10181	7.7
97.99169	1.5
99.04470	2.1
99.08083	3.7
105.07039	26.4
107.04971	4.9
107.08601	16.2
109.06523	10.4
109.10165	10.7
111.04462	3.3
111.08086	15.8
113.06037	1.5
117.07008	3.1
119.04969	1.7
119.08601	25.9
121.06499	3.3
121.10166	13.2
123.04362	1.6
123.08062	5.5
123.11696	5.5
125.09632	5.3
127.07590	1.4
129.07013	12.6
131.08582	11.9
133.06508	3.2
133.10138	19.5
135.11694	8.2
137.06000	2.1
137.09615	8.0
142.07776	1.6
147.08078	5.2
147.11703	17.4
149.05983	2.5
149.09593	8.4
149.13252	1.6
153.12721	1.6
155.08607	1.8
155.47591	1.3
157.10143	17.0
165.12834	6.4
167.07059	11.9
169.10138	2.8
175.11208	19.1
175.14751	8.9
193.10442	3.2
193.12256	58.6
193.15909	5.1
195.53677	1.4
196.12646	1.6
204.41789	1.6
211.07547	4.7
211.11389	1.3
211.13235	29.5
211.14749	2.8
211.16885	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.71916	2.5
52.83780	2.7
53.03945	10.1
55.01879	17.4
55.05273	3.1
55.05515	52.1
57.03416	8.3
57.07062	6.7
57.22148	2.8
57.64118	3.0
59.04987	10.1
59.05261	2.6
65.03934	8.3
67.05509	21.2
68.99805	2.8
69.03434	20.6
69.07067	19.8
69.25851	27.1
70.49082	2.9
71.04999	13.9
74.19563	2.6
75.04453	8.2
78.04709	4.8
79.05501	28.8
81.03398	4.1
81.07059	55.5
83.04987	48.1
83.08626	34.8
85.02883	5.2
85.06539	9.0
89.03918	5.2
91.05485	41.0
93.03400	11.4
93.07047	40.1
95.04376	5.3
95.04974	98.6
95.08631	22.1
97.06541	18.7
97.10186	5.3
99.04456	21.8
99.08080	3.8
103.05483	19.8
105.07033	28.8
106.04180	48.6
107.04960	9.5
107.08601	67.6
109.05802	5.2
109.06524	81.6
109.10161	40.5
111.08080	18.7
117.03366	8.3
117.07017	7.9
119.08611	16.2
121.06525	48.9
121.10148	46.3
122.07286	4.2
123.04446	3.5
123.08082	20.0
123.11724	11.0
125.05990	12.4
125.09648	31.4
131.04944	5.6
131.08585	17.6
133.06525	3.2
133.10141	88.1
134.03654	10.9
135.08055	36.1
135.11703	13.2
137.05959	8.0
137.09622	56.1
139.07515	3.8
143.08560	5.3
145.02834	5.9
145.10126	9.4
147.11700	11.5
148.05215	8.5
149.04819	3.9
149.06010	67.3
149.09593	16.9
149.13280	24.6
151.11189	37.2
153.05476	8.4
153.09117	56.5
157.59280	3.0
158.10884	4.9
159.04330	4.4
161.13289	4.4
163.07523	6.7
163.11235	5.7
163.14819	13.0
165.12727	7.4
167.07036	4.1
167.14328	43.2
173.13249	28.1
177.05504	35.8
181.08611	12.6
191.07083	9.5
191.10652	5.5
191.14320	71.6
194.02132	3.2
208.77881	2.7
209.04459	9.5
209.08096	25.1
209.09836	5.6
209.11681	6.0
209.13615	4.8
209.15370	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.1
55.01882	6.3
55.05523	13.9
57.03432	3.1
57.07095	6.7
59.04989	2.7
65.03947	2.4
67.05524	12.8
69.03442	60.1
69.03823	2.9
69.07077	13.2
71.02187	3.1
71.05004	16.8
74.36217	1.2
79.05502	31.0
81.03434	1.3
81.07068	19.0
83.04996	27.1
83.08630	11.5
85.06542	9.6
88.05367	1.2
89.06005	1.3
91.05499	22.3
93.03394	2.9
93.07058	33.0
95.04984	46.0
95.08617	16.1
97.06535	8.6
99.04474	8.5
103.05470	4.0
105.07052	24.1
106.04184	3.8
107.04971	9.6
107.08610	78.4
109.06521	17.8
109.10172	10.6
111.04422	2.3
111.08089	9.3
117.07043	6.9
119.08598	12.9
121.06522	28.4
121.10165	41.6
123.08076	8.6
123.11745	11.7
125.06018	6.8
125.09652	60.9
129.06995	2.4
130.07770	3.0
131.08589	67.1
133.10150	18.3
135.08058	24.3
135.11711	9.5
137.05934	1.5
137.09622	1.6
139.07524	2.9
141.05391	1.9
143.08553	2.0
145.10149	28.9
147.08017	2.4
147.11768	6.9
149.05984	10.2
149.09648	57.9
149.13268	11.8
151.07544	1.9
151.11209	11.6
153.05499	7.5
153.09116	24.5
158.10918	4.7
158.95982	1.2
160.82510	1.3
163.07545	1.6
163.11208	20.7
163.14839	9.4
165.09114	2.7
165.12796	7.6
167.07082	2.9
167.10666	3.5
167.14346	13.6
169.39999	1.2
173.09505	1.4
173.13295	28.3
176.11917	2.1
177.05498	6.3
191.10712	22.3
191.14334	85.2
194.02095	1.8
209.08122	3.8
209.11818	37.6
209.15388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03962	1.8
55.01868	2.6
55.05518	29.3
57.03443	1.8
57.07067	3.8
59.04992	3.0
67.05513	11.9
69.03423	2.6
69.07080	4.9
70.26762	1.9
70.27155	2.0
71.05000	5.0
79.05504	8.4
81.07069	20.4
83.04993	59.4
83.08630	11.3
85.06537	3.0
85.10151	0.8
91.05486	5.9
92.03120	1.2
93.07063	12.4
95.04984	38.4
95.08620	16.9
97.06012	1.4
97.06548	17.9
97.10168	3.0
99.04480	5.0
99.08106	1.7
103.05499	1.1
105.04581	1.1
105.07043	10.2
106.04154	1.1
107.08608	18.6
109.06535	100.0
109.10171	25.0
111.08109	8.1
113.09642	2.8
115.07603	0.9
117.07012	2.1
119.08590	4.4
121.06528	4.7
121.10171	17.7
123.08067	9.2
123.11724	5.1
125.06039	1.0
125.09643	7.6
131.08572	8.5
133.10150	29.2
135.08073	19.8
135.11676	2.5
139.07610	1.0
145.10143	3.0
147.11688	2.9
149.05963	2.0
149.09650	5.3
149.13286	9.0
151.11198	15.4
153.09123	21.2
157.86681	1.1
158.10918	2.6
159.62656	1.0
163.11217	0.9
163.14844	5.0
165.12814	1.3
167.14349	17.0
173.13301	15.8
177.05431	1.1
191.12686	1.7
191.14340	24.3
209.15388	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	4.8
55.01888	3.8
55.05520	44.3
57.03433	3.6
57.07063	6.9
59.05009	4.7
65.03935	3.0
67.05510	14.9
69.03425	6.6
69.07078	14.0
71.04996	8.6
71.15945	4.7
71.97018	1.6
75.73589	1.9
79.05496	15.9
81.03423	2.5
81.07066	37.6
83.04993	85.5
83.08625	22.4
85.02930	2.9
85.06535	6.4
91.05498	18.6
93.03418	4.6
93.07055	26.4
95.04986	67.6
95.08618	23.7
97.06546	23.5
97.10152	4.7
99.04457	14.6
99.08080	2.3
103.05504	2.1
103.12320	1.5
105.07043	23.1
106.04203	12.2
107.04976	2.4
107.08608	35.2
109.06530	100.0
109.10176	31.5
111.08079	12.5
113.09657	3.3
117.07011	3.0
119.08591	13.1
121.06529	14.5
121.10159	25.6
123.08078	11.4
123.11684	8.9
125.05995	3.6
125.09619	12.2
131.04962	2.0
131.08598	19.0
133.10150	41.2
134.03661	3.2
135.08073	18.1
135.11705	27.3
137.06007	2.5
137.09572	2.0
139.07555	5.0
143.08586	1.9
145.10179	8.8
147.11737	9.0
148.05148	2.5
149.06018	16.4
149.09608	8.4
149.13287	14.1
151.11214	23.9
153.09122	35.2
158.10921	2.5
161.09669	1.8
161.13271	21.4
163.14850	4.4
167.14349	32.5
169.36588	2.0
171.11620	2.1
173.13298	19.2
177.05545	8.5
179.14336	21.8
181.08636	3.8
191.14320	30.2
192.58727	1.8
209.08044	5.6
209.15398	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.63313	1.8
53.03966	8.9
55.01881	13.9
55.05519	73.0
56.05867	1.9
57.03440	5.2
57.07078	3.5
59.05003	4.7
61.02932	3.3
63.89012	2.1
65.03948	14.0
67.05524	17.6
69.03440	27.3
69.07086	11.2
70.40408	4.8
70.40749	2.5
71.04993	8.2
75.04483	8.5
78.04715	8.2
79.05147	2.0
79.05521	24.3
81.03425	3.9
81.07069	24.7
83.04995	79.6
83.08639	39.1
85.02905	7.9
85.06545	5.8
89.03920	5.6
89.06058	2.8
91.05492	56.0
93.03420	23.1
93.07059	48.7
95.04984	45.3
95.08621	16.9
96.05772	1.7
97.06550	22.6
97.10180	8.2
98.21410	2.1
99.04460	6.6
99.08121	2.3
103.05483	20.5
105.03385	3.1
105.07030	22.3
106.04195	71.3
107.04961	11.0
107.08610	46.9
109.06531	31.2
109.10188	27.4
111.04449	3.1
111.08096	13.6
113.09644	2.6
117.03397	5.6
117.07054	5.3
119.04943	4.7
119.08592	15.5
121.06522	82.8
121.10165	57.6
123.04428	2.0
123.08102	9.7
123.11735	14.9
125.06020	22.2
125.09660	13.3
131.04979	8.7
131.08592	29.2
133.02840	1.8
133.06514	3.0
133.10155	27.0
134.03633	13.2
135.04433	3.1
135.08067	10.1
135.11714	7.3
137.06000	16.0
137.09596	3.2
138.06776	4.6
139.07553	7.2
143.08563	3.0
145.02849	3.4
145.10120	12.4
145.39748	1.8
147.04425	2.7
147.11700	8.4
148.05188	8.4
149.02478	2.9
149.06006	100.0
149.09644	19.9
149.13281	13.5
150.06325	8.1
151.03943	2.8
151.07587	4.9
151.11208	44.6
153.05505	7.3
153.09129	32.4
158.10933	3.0
159.04436	5.4
163.03957	3.7
163.07574	6.0
163.11200	5.8
163.14838	11.6
165.05482	2.7
166.06270	2.9
167.07057	4.9
167.14343	67.5
173.13274	13.8
177.05508	53.5
181.08607	19.7
191.07047	6.9
191.10657	9.8
191.14345	21.2
209.04445	3.0
209.08148	27.1
209.11876	11.6
209.13458	3.9
209.15402	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.28992	0.8
53.03942	3.1
55.01860	1.5
55.05516	7.3
57.03418	1.0
57.07066	2.6
59.05000	2.0
67.05515	6.6
69.03079	1.2
69.03432	12.8
69.07079	7.1
69.25190	0.9
70.56763	1.2
70.57093	1.4
71.04982	3.4
78.04713	1.3
79.05501	5.6
81.03424	9.9
81.07058	10.2
83.04981	9.5
83.08613	3.1
85.02868	0.8
85.06525	1.2
85.72997	0.8
91.05485	6.5
93.03407	2.4
93.07049	8.6
95.04987	20.0
95.08624	13.3
97.06535	5.3
99.04465	3.3
99.08086	1.8
103.05454	1.5
105.07034	7.6
105.37911	0.8
106.04182	6.0
107.04913	1.8
107.08601	14.6
109.06525	22.4
109.10181	5.6
111.08079	1.7
115.36235	0.8
119.08591	7.4
121.06512	8.4
121.10156	16.8
122.07275	1.3
123.08089	11.8
123.11708	10.9
125.05978	1.7
125.09635	1.8
131.08553	3.2
133.10139	6.2
134.03632	1.1
135.08066	4.7
135.11693	1.6
137.05923	1.4
137.09644	4.0
137.13264	2.8
143.81610	0.8
145.10139	2.6
147.11679	4.5
148.05208	1.3
149.06003	7.6
149.09628	11.4
149.13263	9.5
151.11180	11.3
153.09100	5.9
158.11020	1.0
163.14828	3.0
165.12766	100.0
167.14363	4.8
173.13243	4.5
177.05493	3.4
181.08633	1.7
191.06992	1.4
191.10599	1.0
191.14301	8.3
194.02095	2.6
209.04486	3.3
209.08138	2.1
209.15379	62.2
219.70343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	0.8
55.01872	1.5
55.05519	3.3
57.07071	0.8
59.04986	0.9
67.05492	3.4
69.03416	1.5
69.07069	1.8
70.86227	1.0
70.86552	1.1
71.04997	8.9
79.05495	4.3
81.07066	4.4
83.04964	3.1
83.08614	1.7
85.06559	2.9
91.05484	3.2
92.46143	0.5
93.03403	0.7
93.07042	6.5
95.04972	100.0
95.08618	2.9
97.06506	2.8
99.04459	21.8
99.08099	1.3
103.05498	0.8
105.07050	5.1
106.04190	1.4
107.04954	1.1
107.08613	7.0
109.06518	17.1
109.10150	4.4
111.08090	2.4
117.07082	0.8
119.08587	2.2
121.06491	3.1
121.10152	6.4
123.08080	2.1
123.11729	1.5
125.06033	1.3
125.09665	2.0
130.07790	0.6
131.08571	8.3
133.10133	10.9
135.04454	0.7
135.08058	3.4
135.11696	1.2
139.11206	1.8
145.10162	2.3
147.11723	1.6
149.06000	2.6
149.09615	6.1
149.13281	1.8
151.11197	4.3
153.05534	0.9
153.09114	31.3
158.10873	0.7
163.11212	1.5
163.14859	1.1
167.07047	0.9
167.14275	1.6
173.13287	6.9
177.05447	2.0
177.77988	0.5
187.58611	0.6
191.10715	2.0
191.14333	8.2
209.08192	1.1
209.11835	3.9
209.15378	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	209.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01876	10.1
55.05517	15.1
56.89325	0.9
56.96553	2.8
57.03437	3.2
57.07067	3.8
58.55291	1.2
59.05003	31.3
61.02939	1.3
63.90170	1.0
65.03932	3.6
67.05507	9.8
67.92525	1.2
69.03432	9.2
69.07076	9.6
69.79143	5.6
70.06586	2.2
71.04194	1.1
71.04995	5.8
75.04493	2.4
78.04704	2.0
79.05505	13.2
81.03407	3.1
81.07061	11.6
82.04144	1.1
82.94855	4.0
83.04988	18.2
83.08608	7.1
84.04466	1.1
84.08156	2.6
85.02886	6.3
85.06556	5.9
86.09702	1.5
87.04466	4.5
89.03944	2.5
89.06036	100.0
89.67161	1.1
91.05489	17.9
93.03403	6.4
93.07050	25.2
95.04980	18.9
95.08614	9.5
97.02926	5.5
97.06534	7.4
97.10168	2.2
98.97546	2.0
99.00828	2.2
99.04443	3.8
99.08095	1.5
103.05477	13.0
103.07570	10.7
105.03392	6.0
105.04507	2.4
105.07047	10.9
106.04176	13.9
107.04961	7.3
107.07056	4.6
107.08601	20.9
109.06529	17.5
109.10160	11.7
111.04410	5.6
111.08080	5.2
113.09659	1.2
116.98623	1.2
117.03370	3.8
117.07010	3.1
119.04929	1.5
119.08562	8.2
121.02882	2.8
121.06516	22.8
121.10147	26.9
123.04426	2.0
123.08043	6.0
123.11702	3.3
123.97440	2.8
125.05973	4.7
125.09598	4.3
131.04890	9.8
131.08566	13.4
131.55182	1.4
133.06528	1.5
133.08620	25.7
133.10120	11.8
134.03665	3.1
135.04428	8.9
135.05367	1.8
135.08035	6.6
135.11670	6.2
137.02338	2.6
137.05997	4.4
137.09583	3.4
139.03880	4.0
139.04852	1.3
139.07542	2.5
139.11186	2.1
141.05527	1.3
143.00198	1.2
144.94791	1.8
145.02849	4.3
145.10133	7.8
147.04399	4.5
147.11690	3.9
148.05153	3.5
149.02364	4.4
149.05995	27.1
149.09639	10.9
149.13284	5.2
151.03958	2.0
151.07619	1.1
151.09717	11.1
151.11133	10.9
153.05464	3.0
153.09111	10.3
159.04419	1.4
162.95900	1.7
163.02724	1.9
163.03920	15.5
163.07469	5.4
163.09840	1.1
163.11188	5.4
163.12358	1.3
163.14796	8.1
165.05576	1.3
167.03348	1.1
167.07047	2.8
167.10634	2.3
167.14313	12.5
167.96428	3.4
169.38956	1.2
173.09712	1.3
173.13245	7.4
176.04706	1.4
177.05499	19.0
181.05035	1.7
181.08603	4.4
185.97539	4.3
188.06992	6.1
188.56927	1.8
191.03410	23.9
191.06989	6.7
191.09033	1.4
191.10631	7.5
191.12611	2.0
191.14314	16.8
194.02089	4.1
197.07477	2.8
203.09441	2.0
209.03081	3.6
209.04483	7.0
209.07939	12.0
209.09763	4.0
209.11761	7.8
209.13574	2.5
209.15413	27.1
209.18689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02378	0.3
53.03952	1.1
53.91842	0.2
55.01876	4.1
55.05516	22.7
57.03447	0.7
57.07085	2.2
59.05001	0.6
59.71563	0.2
67.05509	10.3
69.03439	0.8
69.07073	3.0
70.82526	0.6
71.04995	0.7
71.07355	0.3
73.37187	0.3
73.61198	0.2
79.05499	9.0
81.07064	16.0
83.04987	100.0
83.08626	4.2
84.05283	0.3
85.02933	0.3
85.06546	1.8
89.03945	0.3
91.05488	4.8
93.07051	17.5
95.04996	1.5
95.08614	12.8
97.06575	1.3
97.10174	1.7
99.08102	1.3
103.05471	1.0
105.04532	0.2
105.07022	1.7
107.04946	0.7
107.08600	13.7
109.06527	1.8
109.10166	3.9
111.04449	0.4
111.08091	6.4
113.09676	0.3
115.96500	0.2
116.67843	0.3
117.07018	1.1
117.96013	0.4
119.08577	1.3
121.06523	1.7
121.10152	9.2
123.08069	0.8
123.11674	1.2
123.97533	0.3
125.06023	0.5
125.09636	1.8
131.04922	0.8
131.08578	2.6
133.10155	1.3
134.64922	0.3
135.08070	3.5
135.11725	1.3
137.09624	0.6
139.07536	0.6
143.22784	0.3
145.00952	0.7
145.02913	0.2
145.10112	1.2
147.11697	1.6
149.06015	0.6
149.09662	2.1
149.13275	6.9
151.11194	0.5
153.05417	0.4
153.09135	1.5
163.11171	0.8
163.14833	7.1
165.12839	0.4
166.07860	0.4
167.14297	0.3
173.13287	3.8
175.22536	0.3
177.05515	1.3
181.15916	1.6
191.07108	0.6
191.10706	0.3
191.14320	5.2
191.16057	0.4
209.04332	0.6
209.06172	0.6
209.08070	0.9
209.09682	0.9
209.11748	0.8
209.13625	0.5
209.15378	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.17333	1.4
53.03946	2.1
55.01862	5.6
55.05515	14.1
57.03422	3.2
57.07063	1.5
64.06722	1.4
67.05507	20.2
69.03421	4.2
69.07066	9.2
69.96847	4.7
71.04995	19.5
79.05074	2.7
79.05499	37.0
81.03422	1.6
81.07063	11.8
83.04979	23.5
83.08617	6.3
85.02957	1.5
85.06535	6.5
91.05492	27.4
93.03370	1.8
93.07050	35.3
95.04980	27.8
95.08633	2.6
97.06538	8.8
97.10128	1.6
99.04464	4.7
99.08137	1.3
103.05442	2.9
105.07040	24.7
106.04167	2.8
107.04957	25.8
107.07877	3.0
107.08601	53.0
109.06532	9.8
109.10161	4.8
110.39719	1.3
111.04436	8.0
111.08048	2.2
116.06321	1.5
117.07009	9.7
119.08579	15.8
121.06520	24.8
121.10151	39.7
123.04436	5.0
123.08140	2.0
123.11700	1.9
125.06003	10.2
125.09615	3.9
129.07014	6.0
130.07816	1.5
131.08577	87.0
133.06454	1.8
133.10126	5.3
135.08061	5.2
135.11714	8.6
135.12695	1.1
137.05960	3.5
141.05460	2.0
145.06429	3.3
145.10130	41.3
147.08055	8.0
147.11713	3.4
149.05956	6.8
149.09625	100.0
151.11191	8.2
153.05508	8.4
153.09111	8.0
155.08514	1.4
163.07538	6.0
163.11180	36.3
163.14821	2.0
165.09129	18.4
167.07060	4.0
167.10695	18.3
167.14290	11.4
173.09709	8.2
173.13222	3.5
177.05457	2.5
181.12083	1.9
191.10687	61.2
191.14320	5.5
194.02243	1.4
209.04369	1.5
209.11745	87.4
209.15073	11.3
210.12041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02387	1.0
53.03943	3.6
55.01877	8.3
55.05516	14.9
56.85108	0.9
57.03427	2.6
57.07076	2.4
59.04999	1.6
65.03941	2.9
67.05509	19.8
69.03428	12.7
69.07072	12.1
70.95793	1.0
71.04997	21.2
72.64529	0.8
73.13581	0.9
75.04469	1.1
77.03904	2.1
77.93368	0.8
78.04710	2.7
79.05501	40.3
79.33140	0.7
81.03400	2.1
81.07056	13.7
83.04987	21.1
83.08626	5.9
85.02905	1.9
85.06549	6.6
87.04465	1.3
89.03909	1.7
91.04907	1.1
91.05485	29.6
93.03417	5.7
93.07051	39.1
93.07643	1.9
95.04979	21.5
95.08610	7.2
97.06535	10.0
99.04472	5.3
99.08106	2.5
103.05484	6.2
103.83801	0.8
105.03397	1.1
105.07041	27.0
106.04185	13.8
107.04960	25.7
107.08604	54.2
109.02898	1.4
109.05797	1.7
109.06528	26.8
109.10160	6.3
111.04440	7.7
111.08075	3.5
113.05988	1.9
116.06242	1.5
116.93842	0.7
117.03393	1.4
117.07028	9.4
119.04919	1.2
119.06023	1.3
119.08602	16.4
121.06516	36.9
121.10152	34.1
123.04426	5.0
123.08080	7.9
123.11693	3.7
125.06006	13.3
125.09631	6.7
129.06999	6.2
130.07759	3.0
131.04944	3.0
131.08578	85.6
133.06529	1.1
133.10153	8.3
134.03632	2.0
135.04431	2.0
135.08066	11.0
135.11716	10.1
137.05998	4.7
137.09625	3.4
139.07559	3.8
139.11191	1.3
140.84958	0.9
141.05490	1.5
143.08574	1.5
144.89146	0.8
145.02881	1.1
145.06520	1.6
145.10136	44.3
145.91153	0.8
147.08046	8.6
147.11691	5.3
148.05228	1.6
149.06000	20.2
149.09631	100.0
149.13283	2.3
150.10072	1.1
151.07542	1.4
151.11201	10.1
153.05484	8.8
153.09099	10.4
155.08537	2.2
158.10878	1.5
161.09644	1.0
163.03966	1.3
163.07571	6.4
163.11198	35.7
163.14833	2.9
165.09126	20.5
165.12766	1.7
167.07030	3.3
167.10690	18.8
167.14339	10.2
173.09665	9.1
173.13257	7.1
177.05524	8.2
179.10464	0.9
181.08620	3.6
185.97633	1.0
191.10689	62.7
191.14311	12.2
194.00348	1.1
194.02034	1.3
209.04498	1.5
209.08102	5.0
209.11748	90.8
209.15292	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02378	0.8
52.52985	1.0
55.05503	3.1
57.07075	1.9
57.56730	0.7
59.04998	1.8
60.37843	0.7
61.49120	0.9
65.03935	2.5
67.05518	4.4
69.03430	2.7
69.07056	2.6
70.77596	2.0
71.04991	1.8
77.03925	1.0
79.05492	5.4
81.07070	14.5
83.04964	1.7
85.02918	100.0
85.06535	1.2
89.03899	1.6
91.05497	41.9
93.07066	6.0
95.04965	1.6
95.08605	4.8
103.05472	1.9
105.03403	1.0
105.07048	18.3
106.04185	1.0
107.04978	1.3
107.08115	0.7
107.08624	8.6
109.06531	7.4
109.10168	13.1
111.04466	0.8
111.08174	0.9
117.07004	2.9
118.04147	3.9
119.04967	36.8
119.08598	21.7
121.02887	1.3
121.06509	1.2
121.10159	12.0
123.04461	4.0
123.08117	5.2
123.11723	53.8
125.06015	8.8
126.27094	0.8
129.03435	0.9
129.06972	1.8
130.07767	1.6
131.08588	6.2
132.02078	2.9
133.02850	2.8
133.06505	1.8
133.10123	2.3
135.04413	2.9
136.05215	1.4
137.05923	0.7
137.09641	1.6
143.08597	2.2
145.10158	11.4
146.03603	1.1
146.10954	1.0
147.04434	29.6
147.08070	4.9
147.11702	22.2
149.02318	5.1
149.09641	11.9
151.03969	1.9
151.07565	7.4
156.09380	5.3
157.03993	3.2
159.08032	0.9
161.09630	2.1
161.13301	4.4
163.03888	1.6
163.11197	3.1
164.04689	4.8
165.09140	1.2
165.12796	3.4
169.08711	1.1
171.11711	3.5
174.03198	1.3
174.10452	1.9
175.03935	41.1
177.01825	1.8
179.03418	4.2
179.07065	4.5
189.12761	14.3
192.04204	13.3
207.02943	16.5
207.06554	33.6
207.13831	45.3
223.02461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1335
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
54.29974	0.3
58.06318	0.4
58.06603	6.0
59.07118	0.4
59.07386	3.9
60.08171	19.8
62.86664	0.4
69.03449	0.5
70.74010	0.6
70.74377	0.4
73.04644	0.3
74.02421	0.3
77.03925	0.6
79.05502	10.8
81.03414	0.4
84.08159	0.3
85.79958	0.3
90.23781	0.3
91.05475	0.9
93.07036	1.0
95.04990	0.5
103.05479	39.8
104.05807	0.4
105.07014	1.1
107.04968	26.9
111.34234	0.3
114.73581	0.3
120.08136	0.4
120.08913	0.4
121.06484	1.0
130.99747	0.3
131.04942	38.8
134.10548	0.3
147.04413	0.4
149.05992	10.7
162.09076	0.5
190.08633	0.5
201.02644	0.3
208.03276	0.8
208.13347	100.0
209.13690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03938	3.2
55.01876	7.6
55.05517	16.6
57.03429	5.1
57.07066	3.2
59.04992	1.4
61.02924	0.9
65.03926	3.1
67.05175	1.4
67.05509	15.4
69.03435	20.9
69.06734	1.1
69.07077	18.0
69.28696	7.0
71.04999	21.3
77.03934	1.2
78.04684	0.9
78.38688	0.8
79.05501	43.8
81.03433	2.0
81.07063	15.8
83.04989	20.0
83.08620	9.4
85.02901	1.3
85.06544	3.2
89.03964	0.9
89.06023	0.8
91.05485	30.0
93.03403	2.8
93.07051	47.6
95.04976	30.6
95.08624	6.2
97.06544	11.7
97.10146	1.0
98.20757	1.4
99.04462	5.0
99.08092	1.7
102.83063	0.9
103.05490	4.3
105.04552	1.0
105.07044	31.5
106.04176	9.6
107.04972	18.5
107.08605	68.6
109.06527	18.1
109.10184	6.0
111.04469	4.1
111.08092	3.8
116.06254	2.0
117.03394	1.3
117.06997	8.1
117.81886	0.8
119.06109	1.0
119.08604	13.3
121.02876	1.2
121.06517	46.8
121.10153	48.0
123.04449	2.4
123.08090	6.4
123.11733	4.6
125.05992	9.4
125.09641	14.8
129.07021	4.5
130.07802	2.3
131.04974	1.6
131.08578	100.0
133.06544	1.2
133.10146	10.2
134.03587	1.0
135.04419	2.9
135.08055	9.5
135.11700	8.2
137.06004	2.1
137.09633	2.0
139.07521	2.4
141.05498	2.5
143.08542	1.9
145.02798	0.9
145.06482	1.1
145.10141	37.8
147.08049	4.6
147.11734	4.3
148.05229	1.7
149.05998	15.3
149.09634	80.2
149.13271	4.2
151.07568	2.9
151.11206	8.9
153.05495	11.3
153.09123	11.2
155.05901	1.2
155.07111	1.7
158.10915	1.1
163.07567	2.5
163.11195	30.7
163.14839	4.3
165.09108	6.6
165.12833	2.1
167.07071	3.5
167.10684	5.3
167.14355	12.2
173.09691	5.0
173.13268	9.8
177.05473	6.0
181.08630	1.7
191.10681	36.4
191.14308	25.4
194.00462	1.7
194.02138	2.2
209.02803	1.2
209.04488	2.3
209.08154	5.2
209.11758	60.8
209.15350	32.0
209.17381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0291
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02366	0.2
53.00311	0.2
53.03941	0.5
55.01863	0.5
55.05499	0.5
56.96556	0.6
57.03423	0.2
59.04990	0.1
65.03941	0.9
65.92612	0.2
67.01863	0.3
67.05508	1.1
68.99784	0.7
69.03438	1.1
69.07066	0.3
70.06594	0.3
71.04978	0.5
71.52566	0.3
73.02909	0.3
77.03933	0.5
79.05508	1.5
79.44421	0.1
80.06293	0.2
80.94972	0.5
81.03436	1.0
81.07066	0.7
83.04967	0.4
84.08147	1.9
84.96006	0.2
85.02914	0.8
85.06545	0.2
87.04475	0.2
89.03934	1.1
91.05489	8.8
93.03400	0.3
93.07042	1.0
95.04979	1.5
95.08620	0.8
96.05298	0.2
96.08108	0.1
97.02895	0.3
97.06483	0.2
98.97588	0.5
99.04446	0.5
101.02410	0.2
103.05463	0.5
105.03403	1.4
105.07032	2.5
107.04965	1.5
107.08617	1.0
108.05741	0.2
109.02924	0.7
109.03505	0.2
109.06523	1.3
109.10157	0.5
111.04424	0.2
115.03911	0.2
115.05469	0.2
116.98615	0.4
117.03387	0.8
117.07020	0.4
118.04162	0.6
119.04951	6.6
119.08592	3.4
120.08080	0.3
121.02896	0.9
121.06519	0.5
121.10126	0.8
121.97569	0.6
122.97212	0.2
123.04439	15.0
123.08070	1.0
123.11703	0.2
124.93935	0.2
125.06051	0.1
127.03921	3.2
128.04292	0.2
128.06213	0.6
128.91188	0.2
129.07002	1.0
131.04880	0.3
131.08572	0.5
132.02089	0.4
133.02864	12.1
133.06496	0.6
133.07545	0.3
133.10150	1.5
134.03604	0.2
134.06018	0.2
135.04428	2.0
135.08096	0.3
136.05215	0.5
137.02332	0.8
137.05962	0.5
137.09624	0.7
142.01866	0.2
142.94957	0.3
143.00041	0.1
143.03517	0.2
143.08574	1.4
145.02921	0.2
145.10120	0.5
146.03627	0.7
147.04417	6.3
147.08046	3.3
147.11694	0.8
149.02353	1.4
149.05991	0.2
149.09633	0.9
150.03090	0.2
151.02753	0.2
151.03926	4.3
151.07576	1.2
153.01836	0.5
153.52672	0.3
154.53409	0.2
156.09344	0.3
157.03963	0.6
158.99626	0.2
160.95966	0.4
161.01302	0.2
161.02356	1.5
161.05986	0.6
161.09659	1.5
161.13231	0.5
162.03055	0.2
163.03918	3.7
163.11159	0.7
164.04700	1.5
164.98622	0.3
165.01849	1.7
165.05453	0.5
165.09103	0.6
165.12793	0.3
165.96539	0.6
171.11671	0.3
174.03130	0.5
175.03920	6.8
177.01871	0.4
177.05330	0.2
179.03406	11.3
179.06969	1.8
179.08627	0.3
179.10670	0.4
182.99649	1.2
183.02954	0.2
183.97592	0.8
189.01880	1.1
189.06793	0.3
189.09033	0.9
189.12741	0.7
190.02402	0.2
192.04192	2.1
201.00737	2.1
205.01338	0.7
207.02904	100.0
207.06519	6.7
207.10210	2.3
207.13715	2.2
207.18547	0.5
208.03250	0.6
219.01804	0.6
223.02376	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	207.0291
Annotation	Pisonin D
Peak:m/z	Relative Intensity
51.02369	0.3
53.03943	0.3
55.01862	0.2
55.05530	0.5
65.03942	1.2
67.05496	1.0
68.99797	0.5
71.04993	0.4
71.51748	0.3
77.03944	1.1
79.05505	1.3
79.87050	0.2
81.03419	0.8
81.07054	0.9
83.04993	0.4
85.02903	0.6
88.04002	0.8
89.03925	1.9
89.04372	0.4
91.05496	10.3
93.07047	0.8
95.04967	1.9
95.08607	0.9
103.05482	0.5
105.03415	2.8
105.04508	0.4
105.07052	2.0
106.04156	0.2
107.04950	1.1
107.08589	1.1
108.05727	0.4
109.02892	1.0
109.06567	0.6
109.10174	0.3
111.04436	0.3
117.03395	1.0
117.07063	0.3
118.04156	1.1
119.04958	10.5
119.08606	1.4
121.02889	2.5
121.06525	0.9
121.10162	0.8
121.97538	0.4
123.04449	27.2
123.08046	1.2
123.11707	0.4
131.04857	0.3
131.08588	0.6
132.02078	0.6
133.02875	20.5
133.06500	1.0
133.10133	0.9
134.68315	0.2
135.04442	3.4
136.05235	1.7
137.02376	0.6
137.09653	0.5
143.08545	0.4
145.02866	0.4
145.10219	0.3
146.03615	1.6
147.04443	8.3
147.06297	0.4
147.08084	0.5
147.11711	1.4
149.02383	3.4
149.06020	0.8
149.09653	1.0
150.03227	0.3
151.03928	5.8
151.05132	0.3
151.07559	2.7
156.09375	0.3
157.03999	0.6
161.02350	2.1
161.06021	1.2
161.09624	0.5
161.13281	0.8
163.03934	2.2
163.11249	0.5
164.04720	5.1
165.05489	0.3
165.12781	0.9
174.03174	1.4
175.03940	7.6
175.07445	0.4
176.08340	1.8
177.01883	0.5
177.05479	0.5
179.03421	25.6
179.06987	4.4
179.08572	0.5
183.97664	0.3
189.05467	0.4
189.09160	0.4
189.12791	1.7
192.04176	2.6
192.07776	0.3
205.01329	2.6
207.02924	100.0
207.06406	14.8
207.10153	1.4
207.13782	2.5
207.17461	0.3
208.03256	0.6
223.02406	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	207.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35582	0.8
53.03933	3.0
55.01878	5.2
55.05492	3.9
56.81351	0.8
56.96572	12.3
57.03448	5.2
57.07057	1.0
61.02910	1.2
63.02386	0.8
65.03931	3.0
67.05518	6.7
68.99779	1.0
69.03100	1.0
69.03436	14.9
69.07061	2.4
69.67101	5.6
71.04974	2.6
73.02920	10.4
76.27628	0.8
77.03938	1.3
79.05499	5.6
80.94954	2.8
81.03066	0.8
81.03417	8.5
81.07058	5.0
83.04964	2.5
83.08595	2.2
83.92635	0.8
84.08157	5.9
84.96008	3.7
85.02913	18.6
85.06545	1.1
87.04473	0.8
89.03895	1.7
91.05490	58.5
93.03410	1.9
93.06564	0.9
93.07052	8.2
95.04972	6.2
95.08604	4.8
97.02887	3.1
97.06519	1.5
98.97598	18.5
99.00819	0.9
99.04433	3.8
101.00732	1.5
101.02357	1.0
103.05452	3.6
105.03371	3.1
105.04546	0.9
105.07041	22.9
106.02872	0.9
107.04968	4.8
107.08585	8.2
108.05738	1.2
109.00508	0.9
109.02876	4.8
109.06535	4.2
109.10182	4.2
110.01288	7.1
110.97559	2.9
115.03896	3.5
115.05402	1.3
116.97967	0.8
116.98650	10.3
117.07012	5.0
118.04159	2.6
119.01747	1.7
119.04955	44.4
119.08595	31.9
121.02871	2.1
121.06492	3.5
121.10155	10.0
121.97562	3.0
122.01202	0.9
123.04436	10.2
123.08092	5.4
123.11716	1.4
124.93867	1.1
124.99106	1.2
127.00713	2.0
127.03930	100.0
128.04233	3.4
128.06209	4.6
128.98566	2.9
129.03329	1.3
129.07028	7.9
131.00180	1.1
131.04904	1.8
131.08545	3.1
132.02060	2.3
133.02884	5.4
133.06508	5.9
133.10159	8.3
134.05980	1.2
134.99641	4.6
135.04401	3.5
135.08026	2.3
135.11694	1.5
136.05170	3.1
137.05951	2.9
137.09595	3.4
142.94885	1.6
143.00142	3.0
143.01749	1.8
143.08580	10.2
145.01772	1.0
145.04916	1.5
145.06468	1.1
145.10150	7.8
146.03577	2.7
146.99658	2.0
147.04427	37.1
147.06990	1.6
147.08067	27.6
147.11710	6.3
149.02368	6.6
149.09630	8.9
151.03983	4.0
151.07579	9.0
152.98601	1.1
155.00108	1.5
156.09311	1.5
157.03944	4.4
158.99667	4.3
160.95992	2.0
161.01230	4.3
161.05975	3.6
161.09639	10.2
161.13298	4.7
162.05452	1.9
163.03886	3.5
163.07446	1.6
163.11205	22.2
164.02269	2.1
164.04681	6.1
164.98619	10.6
165.01772	2.8
165.05441	3.2
165.09111	4.1
165.12743	3.3
165.80222	0.9
165.96521	3.1
170.99637	2.6
171.07996	1.3
171.11656	1.8
173.02823	2.4
174.03102	2.5
175.03931	48.6
177.00626	4.0
177.02005	0.9
177.05563	0.9
179.02104	0.7
179.03455	6.6
179.07063	7.2
179.10628	1.9
179.14304	1.6
182.99681	43.8
183.97650	5.2
183.99948	1.1
189.00670	2.1
189.05449	2.3
189.09128	7.3
189.12730	8.3
192.04211	10.8
192.14542	1.0
201.00729	64.2
202.01035	1.8
206.01112	1.5
207.02950	40.8
207.06487	41.5
207.10097	17.4
207.11600	0.9
207.13760	20.2
207.18694	1.8
218.99788	1.5
219.01802	18.0
223.02306	3.9
224.02293	1.9
225.00592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.32468	0.7
53.03949	1.4
55.05518	8.5
57.07083	13.2
58.06610	5.1
60.04534	2.3
62.60930	0.7
63.21917	0.8
65.03937	4.3
67.05514	8.8
69.03433	1.9
69.07075	16.9
69.36376	3.8
69.36793	1.8
71.08640	1.0
71.51614	0.6
72.44596	0.7
79.05064	1.3
79.05499	10.7
81.03446	3.4
81.07066	43.3
83.08631	6.0
85.02921	2.6
91.05484	6.0
93.03394	1.3
93.07056	40.6
95.08618	27.3
96.42104	0.7
97.02911	9.5
97.10186	4.7
99.04456	1.8
105.07051	4.5
107.08605	27.4
109.02918	4.0
109.10170	22.5
109.10933	1.1
111.04431	1.1
111.11737	2.6
115.44907	0.7
119.08663	1.9
121.02891	10.2
121.03980	2.4
121.06544	1.1
121.10158	94.4
123.11723	11.6
127.03964	1.9
127.05893	2.0
135.11711	19.4
137.13310	1.9
140.52240	0.7
145.10219	1.1
146.06122	0.9
149.02359	100.0
149.13272	39.5
160.07605	4.0
163.11235	0.8
163.14845	3.8
164.63759	0.7
167.03429	0.9
181.97731	0.7
187.07661	1.3
190.05063	1.2
205.04984	1.2
205.08672	2.6
205.12228	1.7
205.14104	1.6
205.19542	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1955
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03934	0.4
53.31562	0.4
55.05518	2.0
57.07085	9.7
58.06602	1.7
59.30170	0.3
60.04532	0.7
61.04844	0.3
65.03947	4.2
67.05516	2.2
69.03422	0.6
69.07076	3.9
69.71280	0.3
71.52525	0.5
72.08163	0.5
77.27173	0.3
79.05496	2.3
81.03447	0.6
81.07068	10.9
83.08637	2.2
85.02907	0.9
91.05491	1.0
93.03415	1.7
93.07059	10.9
95.04995	0.3
95.08620	5.5
97.02907	3.7
97.10174	0.7
98.03693	0.4
99.04507	0.7
105.07040	1.1
107.08612	7.5
109.02898	2.2
109.10169	4.4
111.04469	0.7
111.11714	0.8
117.53529	0.3
119.08634	0.4
121.02010	0.6
121.02882	11.8
121.03987	2.1
121.06453	0.3
121.10162	22.1
123.11726	4.7
127.03941	0.9
127.05913	0.5
131.08597	0.4
131.97433	0.4
135.11705	5.4
137.13254	0.3
139.03877	0.3
145.10127	0.4
149.02364	100.0
149.13277	10.1
150.02740	0.7
160.07570	1.4
163.11220	0.3
163.14879	0.9
165.96950	0.3
167.03461	0.9
175.07555	0.3
181.97890	0.3
186.62447	0.3
190.04987	1.6
205.08815	1.0
205.12291	0.8
205.14218	0.8
205.15999	0.5
205.19553	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
55.05515	4.6
55.95003	1.7
56.05043	4.2
56.96568	19.8
57.03442	27.1
58.06606	2.4
59.05008	3.1
60.04519	4.9
60.95882	2.1
61.02935	18.4
65.92618	3.2
67.05508	5.3
68.05053	3.9
69.03437	26.2
69.07058	3.2
69.40285	15.9
70.03777	3.7
70.06592	7.5
70.99842	3.4
71.01366	3.9
71.04989	10.6
72.08160	3.3
73.02927	26.7
74.02465	2.3
74.06084	4.8
75.04491	3.1
77.99763	1.9
78.74289	1.8
78.95277	4.8
80.05048	2.4
80.94973	6.4
81.03429	16.9
81.07073	3.0
82.06590	3.8
82.99863	6.3
83.05003	4.8
84.04510	8.2
84.08144	10.2
84.96053	2.9
85.02917	46.2
85.06549	3.4
86.03688	10.5
86.06078	4.5
86.09709	9.6
87.04482	12.4
88.02206	3.1
93.07026	3.5
96.08148	8.2
97.02890	26.2
98.03210	4.8
98.06039	2.7
98.97600	22.7
99.01920	2.3
99.04472	5.9
100.00081	3.6
100.02598	4.4
100.05266	8.3
100.07641	3.1
101.00890	42.2
101.02447	3.7
102.00956	5.1
102.02438	2.6
102.96909	2.8
109.02889	12.8
110.01285	2.5
110.06064	3.6
110.97588	7.6
111.02958	2.4
111.04440	3.0
112.99180	3.2
113.00883	8.9
114.02418	2.4
114.03723	3.1
115.00669	3.8
115.02423	8.9
115.03155	2.2
115.03963	6.2
116.02552	2.8
116.98622	6.8
117.02087	2.6
117.02910	2.4
117.03956	2.6
118.01182	3.9
118.03690	2.9
118.53817	2.7
119.01926	62.2
119.97926	4.1
120.02036	3.7
120.06631	2.1
120.98226	2.4
121.01672	6.9
121.03040	7.4
121.06509	2.0
121.97625	5.9
122.03122	1.9
122.06019	2.4
123.02923	5.9
124.02460	12.6
124.07589	4.0
127.02420	3.9
127.03957	13.4
128.02365	3.0
128.98582	5.5
129.02097	2.0
129.04033	3.9
130.02805	2.3
130.03717	7.3
130.08572	2.9
131.01894	14.8
131.02727	2.5
132.02045	8.1
132.03473	4.5
133.01691	2.9
133.03435	6.8
134.03635	3.2
134.99638	2.2
135.03003	3.9
136.03743	3.1
137.02922	8.8
138.03424	6.4
139.04198	6.5
140.07088	4.0
140.95261	5.1
142.01134	4.1
142.03520	100.0
142.06854	11.0
142.08630	5.4
142.94928	2.7
143.00206	2.9
143.01895	13.0
144.03458	6.5
145.03429	7.0
146.08148	5.2
147.55954	2.3
148.03859	5.7
148.54068	7.8
151.04192	4.6
153.04012	6.9
153.54028	2.4
155.01964	6.0
155.03607	9.5
157.01431	3.0
157.03526	11.3
158.96262	3.8
158.99689	3.8
160.04616	39.9
160.07854	10.5
160.09698	5.4
160.13319	4.2
160.54834	3.0
161.02956	26.2
164.97241	4.8
164.98624	3.0
165.96559	5.6
166.03514	2.1
167.02020	4.6
169.05275	6.2
170.08159	6.9
170.99763	2.5
171.01392	4.4
171.05023	3.4
172.04703	4.6
173.01588	2.2
173.03001	9.8
173.04503	3.3
175.02834	4.2
175.04559	2.6
177.00735	3.3
177.07889	3.2
178.04852	10.6
181.03548	2.4
181.05313	3.1
182.98184	5.0
182.99695	16.5
183.01448	6.6
183.03081	3.1
183.06747	3.1
183.97627	7.5
184.02199	2.4
184.04585	9.2
185.02951	10.8
187.04533	3.2
188.07474	11.0
188.09235	6.6
190.05914	3.5
191.14349	2.5
193.03781	2.6
193.10947	3.7
199.04633	4.7
201.00728	21.4
201.02501	11.4
201.04280	4.3
202.03247	3.3
205.55754	5.0
206.04626	9.2
206.06944	2.2
206.08455	18.0
206.10236	11.1
206.11897	10.7
206.13971	7.4
215.04102	3.1
217.05663	4.6
219.01807	6.2
220.02147	4.6
221.05206	2.5
224.04051	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.50731	0.2
56.96575	0.3
59.57503	0.2
61.24578	0.2
69.03445	0.2
70.06578	0.2
70.55729	0.6
76.03992	0.3
85.02895	0.2
88.08907	0.2
104.05000	0.3
105.03407	0.8
105.78570	0.2
116.05354	0.3
121.02883	2.5
124.99098	0.3
132.04482	2.5
133.02925	0.4
133.98952	0.2
135.34789	0.2
143.00172	0.8
150.02737	0.4
150.05479	1.2
156.26877	0.2
160.03940	2.1
161.01192	0.3
170.99716	0.2
178.05003	100.0
179.05441	0.5
179.41959	0.2
182.99725	0.5
185.01274	0.5
188.09239	0.3
191.14391	0.2
201.00740	0.7
201.06683	0.3
206.04497	52.1
206.11880	1.2
207.02921	0.3
207.04759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05887	1.1
71.14729	1.8
82.01459	1.2
82.99839	4.2
86.19322	1.2
101.00890	33.2
103.00658	1.6
109.62701	1.1
119.01930	45.7
120.02093	1.1
121.01656	1.7
124.02458	11.1
126.39477	1.2
130.34184	1.1
136.09776	1.2
137.02983	6.1
142.03511	100.0
150.02800	1.2
152.85493	1.1
160.04585	19.6
160.05893	0.9
161.03008	4.2
165.05206	2.9
182.97816	1.2
182.99692	1.2
183.01448	2.3
183.04846	1.1
184.04576	3.7
200.00143	1.4
201.02483	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	204.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01880	1.3
55.05515	1.9
56.96567	8.0
57.03443	3.8
57.07085	21.7
60.04536	100.0
61.02938	3.1
68.05048	3.8
68.13694	0.8
69.03439	8.5
70.06624	0.7
70.61958	0.6
71.01346	1.0
71.05012	1.9
71.50904	1.1
71.95265	0.7
72.08173	2.3
73.02925	4.7
81.03455	2.6
81.07082	0.8
83.01368	1.4
83.04994	2.8
84.04517	8.9
84.08154	1.6
84.29391	0.7
84.96067	2.5
85.02921	15.7
86.06120	0.7
87.04485	1.8
91.05514	3.7
93.07082	0.7
94.02929	0.8
96.04507	7.8
97.02913	18.1
97.03530	1.0
98.01315	0.9
98.06097	2.3
98.97601	36.3
99.04501	3.4
101.02402	0.8
101.12690	0.6
102.96957	1.1
103.05485	1.3
104.01338	1.9
105.07037	5.0
107.04989	2.4
109.02953	2.1
110.01306	1.6
110.06068	1.1
110.97586	11.0
110.98336	0.7
111.04485	0.9
112.11244	0.7
112.99169	1.5
113.01820	0.8
114.05548	5.5
115.03972	2.5
115.05506	2.1
116.01345	0.7
116.98646	12.2
117.05582	1.2
117.07020	0.8
117.54660	0.7
119.01847	3.1
119.04973	4.9
120.05338	0.7
120.08131	1.1
121.02908	1.2
121.06538	1.0
121.96682	1.4
123.02071	1.4
124.99164	2.3
125.01836	2.3
126.05553	11.4
127.03951	3.2
128.02403	1.9
128.98630	8.8
129.07104	0.7
129.08101	0.7
130.06552	1.6
131.01866	2.5
131.04964	2.4
133.04929	0.7
133.06517	7.1
134.99716	2.3
136.06203	0.8
137.01865	1.3
138.05505	3.3
140.02362	2.4
140.07208	0.8
140.98608	1.6
143.00204	5.6
144.06613	5.5
145.04996	4.0
146.02328	5.2
146.99690	3.5
147.03244	1.4
147.04424	15.1
147.05496	1.1
148.04826	2.3
149.02451	3.2
149.06064	1.9
155.02916	3.1
156.06598	1.3
158.08212	1.0
158.99692	8.5
159.04468	1.3
161.01248	4.4
161.05980	5.7
162.07646	0.7
167.02951	2.6
168.06694	3.0
170.99687	8.4
171.05594	1.6
173.01372	1.3
176.03384	17.2
176.04716	1.2
176.53677	1.9
177.00717	5.9
182.99751	2.8
183.03120	3.3
185.03925	14.5
185.54260	1.0
186.02394	1.0
186.05820	0.7
186.07704	2.0
187.03914	1.2
187.06027	0.7
187.54240	0.8
188.10786	1.6
189.00740	7.6
189.05502	1.7
189.11603	2.5
192.03667	1.6
196.54832	1.9
201.00734	5.5
204.06679	5.1
204.08769	20.0
204.10410	4.4
204.13870	19.9
205.12178	1.0
207.01924	2.0
212.85451	0.7
219.01845	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01867	3.3
55.05510	5.2
56.96546	2.1
57.03429	4.3
57.07079	16.5
58.06598	4.6
59.05006	4.1
60.04532	9.6
61.04855	1.9
62.40579	1.9
65.03938	5.5
67.05491	8.4
69.03429	17.7
69.07066	11.5
71.05006	15.9
71.29997	2.3
72.08168	2.0
73.02919	3.5
78.95269	7.7
79.05083	2.3
79.05476	12.1
81.03419	16.0
81.07056	56.9
83.04967	5.0
83.08595	2.1
84.08123	2.7
85.02907	22.1
87.04428	2.2
91.05492	13.3
93.07055	10.7
95.04959	4.5
95.08616	5.8
97.02891	37.3
97.06528	6.1
98.97607	8.6
99.04464	11.3
99.08069	3.4
103.03954	2.3
103.05457	5.1
105.07038	17.7
107.04953	6.2
107.08591	14.4
109.02890	22.1
109.06530	6.6
109.10166	15.5
111.04444	2.7
111.11703	6.0
115.05460	10.5
116.98611	5.4
117.05569	2.0
117.07027	12.7
118.06503	2.6
119.04919	2.1
119.08581	8.6
119.97888	6.7
120.08098	4.7
121.02878	10.8
121.06517	9.7
121.10138	9.9
122.94237	2.9
123.04474	2.1
123.08009	2.4
123.11698	15.8
127.03915	10.3
128.06213	2.0
129.06978	4.0
130.07809	2.2
131.04898	9.4
131.08585	13.0
133.06476	10.5
133.10161	11.6
133.94548	1.8
135.07982	2.7
139.03987	2.4
139.11171	9.6
140.95236	5.0
144.09232	2.1
145.05051	3.3
145.06511	13.5
145.10159	10.9
146.05995	5.7
146.07159	2.4
147.08070	3.9
147.11708	2.4
149.02354	100.0
149.05951	9.6
149.09538	2.9
151.11185	14.4
155.06015	2.6
157.12238	4.8
158.96353	4.1
159.04419	5.3
159.08083	8.0
159.11713	12.3
160.07552	3.9
161.02991	2.1
161.06015	11.6
161.09651	2.2
162.06714	2.3
163.07692	2.5
163.11191	9.9
163.96866	10.3
169.12268	6.0
171.05490	3.1
173.05992	6.3
175.07654	2.5
177.00681	2.0
177.05463	6.5
177.09108	7.0
177.12746	4.5
178.08620	3.8
181.97879	10.7
187.03856	3.5
187.07520	4.7
187.11163	4.2
187.13284	4.8
188.07062	3.6
190.06325	6.6
205.05008	17.0
205.08571	31.2
205.12256	20.3
205.14070	5.2
205.15726	2.1
206.11807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.55878	1.5
55.05512	10.2
57.07077	3.5
58.45182	1.4
60.04520	5.1
67.05511	18.9
69.07075	19.3
74.34385	1.6
79.05506	9.8
81.06601	2.0
81.07063	39.8
81.14821	1.4
83.08614	4.7
83.38591	1.5
84.04504	2.8
91.05486	21.8
93.07056	20.9
95.08615	51.6
96.04498	1.8
97.10202	1.9
100.42188	1.5
105.07038	93.8
107.07977	2.2
107.08607	24.2
109.10162	37.9
117.07003	2.6
119.04858	1.9
119.08589	64.1
120.08865	1.4
120.96484	1.7
121.10149	24.1
123.11735	10.6
126.05456	2.5
131.08601	4.1
131.18710	1.7
132.05655	1.5
133.06580	1.5
133.10135	45.7
133.11115	3.0
135.11705	6.2
143.04871	1.7
145.10135	5.7
147.07997	1.9
147.11696	87.7
159.11612	3.3
161.09612	2.2
161.13261	26.9
174.14156	1.7
175.07492	2.9
175.14870	9.6
203.03462	1.6
203.07039	41.7
203.08426	1.6
203.10733	3.6
203.14450	8.3
203.17975	100.0
204.08641	2.8
204.13887	3.3
204.18251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	1.4
55.05516	7.2
57.07080	6.1
57.16557	0.6
58.07400	1.8
60.04528	2.8
62.06105	2.9
65.03930	0.9
67.05512	17.1
67.16285	0.6
69.03418	0.7
69.06732	0.8
69.07075	9.6
69.15592	5.8
71.05009	1.1
72.08932	0.7
74.58515	0.6
79.05077	0.7
79.05504	9.0
81.07066	31.9
83.08635	4.4
84.04528	0.6
85.02899	1.8
91.05490	23.3
93.06494	1.1
93.07054	17.0
93.27018	0.5
95.04965	2.3
95.08617	53.9
97.02884	0.6
97.10166	1.5
101.88811	0.5
103.05502	1.1
105.07043	56.1
107.04965	1.0
107.08605	27.9
109.06525	1.7
109.10168	32.3
109.73142	0.6
115.05449	1.8
117.07040	9.6
118.07833	0.8
119.04929	2.5
119.08596	50.4
121.06553	0.7
121.10161	14.7
122.29072	0.6
123.08045	0.9
123.11719	5.1
123.17833	0.6
128.06239	4.7
129.07031	5.7
130.07794	1.4
131.08586	7.7
133.06500	1.5
133.10146	40.5
135.04431	0.6
135.11700	3.2
141.06967	1.2
142.07806	4.4
143.08586	13.0
144.09352	2.1
145.02826	0.9
145.06470	1.1
145.10144	12.7
146.10962	1.0
147.08040	2.9
147.11707	55.3
155.08580	1.7
156.09332	1.5
157.06458	0.8
157.10138	9.2
159.11710	13.5
160.05249	1.1
160.12477	2.5
161.05934	0.7
161.09659	5.0
161.13274	23.7
170.10915	3.3
173.06003	0.7
173.13298	2.2
174.14040	1.0
175.07588	3.3
175.11249	1.3
175.14842	17.4
175.78946	0.6
184.03062	0.7
185.06042	1.2
185.13275	17.7
185.20944	2.4
188.15540	0.6
193.03459	0.6
203.07051	60.1
203.10706	3.4
203.14371	26.0
203.17981	100.0
203.22008	32.6
204.13965	1.2
204.18303	1.0
216.08911	0.6
219.56110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48282	0.6
70.96024	1.5
76.82219	0.7
82.99852	4.9
101.00889	54.6
102.00975	0.8
119.01930	100.0
120.02006	0.8
122.09904	0.6
124.02475	6.5
132.95372	0.7
135.75296	0.7
137.02957	13.1
142.03513	41.5
143.01903	1.5
160.04562	10.0
161.02969	35.2
165.05086	1.3
178.05603	1.1
179.04018	42.7
184.04610	2.6
189.79054	0.6
202.05634	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1075
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
55.01881	6.2
55.05511	0.9
56.01398	1.3
56.96544	0.7
57.03412	0.8
57.07080	11.6
59.04988	1.7
65.03934	0.7
67.05506	10.1
69.06734	0.7
69.07076	10.8
70.02962	17.5
70.06590	0.6
71.01492	1.1
71.04997	0.6
72.04116	0.7
72.04522	17.3
72.08167	2.5
73.02924	19.5
73.43985	0.4
74.02443	3.9
79.05518	0.9
81.07052	1.4
82.06602	0.6
82.16068	0.4
83.04969	2.2
84.08141	1.6
85.06078	0.8
85.06549	10.3
86.00644	0.5
86.06071	0.5
86.09238	0.5
86.09718	7.3
87.07716	0.4
87.08125	4.5
90.05568	3.6
94.06544	0.6
95.04976	15.3
96.04501	0.5
96.08138	4.2
97.06567	0.5
98.02423	42.2
98.97596	0.5
99.08094	1.9
100.03980	13.4
100.07611	2.1
103.07574	4.1
104.15761	0.4
112.07597	2.5
113.06017	9.2
114.09169	1.3
116.03465	26.2
119.01964	0.8
124.07603	36.1
128.03450	0.7
130.08632	2.5
131.07045	1.7
131.11810	1.3
132.01109	0.7
132.10191	2.0
138.12811	0.6
140.10703	0.7
142.08647	33.7
148.09703	1.0
152.07063	0.5
152.49898	0.5
156.04765	0.7
156.10181	3.2
158.09650	0.6
160.07681	0.9
160.09703	13.2
160.49625	0.8
166.08652	3.6
174.11244	4.1
184.09711	31.3
184.13268	1.3
202.10759	100.0
203.07069	1.2
203.10924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58814	0.5
56.99058	0.5
57.89545	0.5
70.72897	0.5
70.73452	1.2
70.73822	1.2
82.01452	10.2
100.02493	12.8
101.00892	2.4
102.00999	0.9
102.94357	0.9
103.00697	0.7
114.05516	0.6
118.03539	2.3
119.01936	4.1
120.02039	2.0
120.95358	4.6
138.96428	24.6
140.00772	0.7
143.03625	0.9
143.96973	0.9
144.06569	1.6
147.96942	3.8
148.96022	1.6
156.97493	69.3
157.97598	0.7
159.47745	3.9
159.97815	0.6
161.02968	0.9
161.98032	11.5
168.48305	9.5
168.98285	1.6
172.52234	0.7
174.97050	1.3
174.98558	23.2
175.02657	0.7
175.98563	0.7
179.04030	1.3
179.99117	100.0
180.99310	0.9
181.52859	1.5
184.03113	1.9
193.03661	2.3
198.00287	41.2
203.00714	1.7
221.01936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
51.90577	0.2
55.05508	0.7
57.07084	0.3
60.04535	1.0
65.03947	0.5
67.05515	1.6
68.99802	0.4
69.07074	1.0
79.05495	0.7
81.03406	0.2
81.07070	2.5
83.08620	0.4
85.02923	1.8
91.05499	9.1
93.07065	1.0
95.04961	0.2
95.08067	0.3
95.08627	3.7
103.05497	0.3
105.01902	0.2
105.06403	0.3
105.07051	4.4
107.04994	1.8
107.08622	1.9
109.06551	0.3
109.10179	3.3
115.05466	0.8
117.07012	0.6
118.04163	0.2
119.04965	3.3
119.08608	4.2
120.96495	0.3
121.02847	0.6
121.06547	0.2
121.10176	1.6
123.11703	0.7
128.06236	0.8
129.01900	0.3
129.07034	1.7
131.08588	0.5
132.05705	0.5
133.04985	0.9
133.06506	1.2
133.10141	2.5
135.04420	0.6
135.11697	0.4
142.07759	0.3
143.04941	0.5
143.08543	0.3
145.02885	0.7
145.10150	0.5
147.04556	0.3
147.08099	1.2
147.11711	4.7
157.04977	0.9
157.06487	0.7
157.10181	0.7
159.08058	0.3
159.11739	0.3
160.05244	0.9
160.12425	0.3
161.05984	0.6
161.09630	0.2
161.13309	1.9
163.51756	0.4
172.52280	0.6
173.05949	0.4
175.04065	0.3
175.07581	3.4
175.14851	0.7
181.52773	1.4
184.03081	1.6
184.53218	0.3
185.05977	1.1
185.09663	0.2
185.13351	0.4
188.04701	0.2
188.08397	0.2
193.03644	2.1
195.53911	0.5
203.07066	100.0
203.14334	1.3
203.17984	7.1
204.07408	0.8
221.73917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05505	2.4
57.07080	9.4
65.27440	1.3
67.05493	3.1
69.07059	3.5
70.38873	1.8
70.39256	2.2
71.08622	3.9
77.94146	1.3
79.05493	2.2
81.07039	3.7
85.02941	1.9
85.19635	1.1
91.05498	5.9
93.07045	3.8
95.04950	1.7
95.08595	5.0
97.02849	1.3
99.08102	2.9
105.07042	21.7
107.08583	2.3
109.10183	2.2
114.05492	1.2
115.05486	3.1
117.06233	2.4
117.07030	30.6
118.96786	9.9
119.08575	9.7
121.10155	1.9
121.95026	1.5
122.60223	1.3
127.03939	4.3
128.06190	1.8
129.07016	3.2
130.07770	7.9
130.72894	1.3
131.08571	21.5
133.10144	1.6
133.99095	3.1
136.95360	1.8
142.07764	2.8
143.08563	4.6
144.09312	6.9
145.10133	100.0
146.08795	1.3
146.10510	1.6
154.96451	5.3
155.08525	1.7
157.10155	5.9
158.10922	1.8
159.08125	1.6
159.11702	67.4
159.97005	1.7
165.05438	2.3
173.09612	2.2
173.13293	3.6
177.98064	10.6
183.06509	1.5
183.11891	1.5
186.06787	1.5
200.99715	1.6
201.05559	2.5
201.07510	1.7
201.09180	8.3
201.10905	1.5
201.12810	4.2
201.16396	58.8
201.24060	21.5
218.48820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
53.03954	0.6
55.05523	1.2
56.97561	0.4
57.04164	0.4
57.07079	5.1
65.59915	0.4
67.05518	2.3
69.07073	3.0
69.40285	1.4
69.40708	1.8
71.08636	2.1
79.05503	1.1
81.07053	2.5
83.08636	1.5
86.09694	0.4
91.05489	5.4
93.07037	1.8
95.08618	3.8
102.48121	0.4
103.05486	0.6
105.07040	26.8
107.08620	2.5
109.10158	1.0
115.05493	1.5
116.06258	0.7
117.07027	38.4
118.96781	0.9
119.08591	8.4
121.10165	1.5
127.03916	0.7
128.06203	0.9
129.07004	4.5
130.07797	7.5
131.08577	23.0
133.10129	1.5
141.07062	0.4
142.07797	2.6
143.08566	4.6
144.09358	7.7
145.10135	100.0
146.10535	1.1
155.08568	0.8
157.10139	6.3
158.10919	1.3
159.11705	79.1
160.12093	0.7
171.11681	0.7
173.05980	0.7
173.13274	2.5
183.11710	0.6
186.13998	0.4
201.05435	1.6
201.09161	2.1
201.12743	1.5
201.16399	56.8
202.16689	0.5
206.55289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30481	0.7
70.04948	2.7
70.05292	0.9
73.95697	0.7
76.92570	0.6
82.01451	12.6
82.99846	5.2
87.18327	0.6
98.97597	1.5
100.01865	1.1
100.02486	16.7
101.00887	55.7
102.01000	1.0
116.98637	0.9
118.03538	3.6
119.01928	100.0
120.02024	2.0
124.02459	7.5
125.80968	0.7
126.96156	0.7
137.02972	16.1
138.96504	1.4
142.03508	48.4
143.01907	1.8
143.03651	1.0
156.97479	3.2
156.98622	0.8
160.04561	11.0
161.02971	37.7
174.98567	2.1
178.00978	0.8
179.04033	41.3
179.98122	6.1
179.99277	2.6
184.04626	2.2
187.99266	1.6
190.49544	3.8
197.99045	10.3
199.50101	5.8
202.05655	1.9
212.58153	0.7
220.02057	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	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.3
56.96568	5.6
57.03439	0.7
65.82884	0.3
67.08656	0.3
69.03436	1.1
69.88695	1.4
70.06596	0.5
70.99864	0.6
71.95262	1.7
72.08172	0.5
73.02924	1.4
81.03422	0.6
82.01459	0.7
84.04524	0.5
84.08156	0.5
85.02930	1.6
87.04482	0.5
88.23616	0.3
91.02428	0.4
91.05437	0.5
95.04991	0.4
97.02905	1.2
98.97593	100.0
100.02486	1.4
100.07640	0.3
101.00887	1.7
102.00958	0.4
104.22069	0.3
113.00867	0.7
114.06634	0.4
115.02388	0.4
116.98629	42.7
118.03503	0.4
119.01945	2.1
119.04958	0.6
120.02006	0.9
122.06054	1.0
126.98757	0.9
127.03932	1.8
128.04327	0.7
131.01929	1.7
133.03479	0.7
134.03629	0.5
134.99675	10.0
136.06142	0.8
136.07573	0.8
137.05994	0.8
139.02443	0.3
140.00227	2.7
143.01895	1.1
144.99847	1.1
145.03465	0.6
147.04395	1.0
153.00688	0.8
154.03485	1.4
154.08643	0.6
157.97565	0.7
158.01251	2.7
158.99631	1.2
159.01462	0.8
161.02922	1.2
168.01326	1.5
173.03003	0.4
173.15854	0.3
176.02267	0.5
177.00702	3.2
177.02431	2.6
181.84421	0.3
182.02963	1.2
182.08138	0.7
183.08382	0.5
185.02908	1.0
186.03169	1.7
187.02727	0.9
191.03986	0.4
195.01749	1.7
195.03368	0.5
199.18817	0.5
200.02217	0.5
200.04001	3.2
200.09134	1.0
200.12782	0.5
202.57852	0.3
205.03656	0.5
218.05293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0919
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03938	1.7
56.96556	3.7
67.05519	5.7
68.05026	1.2
69.03424	5.4
69.07072	4.9
69.68090	0.8
70.06590	2.4
70.41219	2.3
70.41566	1.0
79.05481	2.5
80.05028	1.9
80.76825	0.9
81.07043	2.9
82.06583	1.9
84.08145	2.3
86.09657	1.0
87.84023	0.9
91.05481	7.0
93.05774	2.9
93.07052	4.9
94.06570	18.9
95.04961	3.8
96.04478	2.1
96.08089	1.6
97.06507	1.8
98.46997	0.8
98.97589	51.3
108.04456	0.9
108.08119	23.1
109.06497	3.1
110.06052	14.7
111.08071	1.4
112.03970	4.1
112.07614	4.2
116.98624	21.3
117.05743	1.8
118.06541	2.8
119.04968	0.9
120.08084	2.4
121.06561	1.0
122.06033	66.0
123.04425	3.1
123.06840	2.0
124.07586	3.2
126.09171	1.9
134.05977	1.4
134.99660	5.5
136.07581	70.3
137.05983	2.7
138.05493	1.2
138.09138	3.4
139.07547	3.9
140.00230	0.9
140.07068	87.4
141.05138	0.8
154.04991	1.5
154.08632	54.8
155.06972	0.9
158.99648	1.0
164.07071	13.9
165.05463	1.8
177.00693	1.8
182.08134	64.7
183.08417	1.1
195.01801	1.4
200.09183	100.0
200.12921	2.8
200.19139	1.0
219.55124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01876	3.4
55.05516	9.2
57.03442	7.2
57.07075	2.9
65.03937	1.7
67.05509	7.2
69.03439	4.5
69.07077	13.7
71.05000	25.8
72.04514	1.6
72.08167	10.2
74.09725	15.2
79.05503	15.3
80.05794	0.9
81.03436	1.4
81.07065	25.9
83.04993	2.9
83.08620	5.2
84.08977	1.4
85.02943	1.3
85.06532	5.0
86.09732	2.6
90.72694	0.9
91.05484	7.7
92.87704	1.1
93.03413	2.0
93.07050	51.7
95.04984	11.5
95.08598	5.2
97.06544	5.9
98.97588	3.0
99.04445	1.5
100.07620	6.4
103.05482	0.9
105.03394	1.2
105.04515	1.2
105.07034	10.7
107.04951	1.1
107.08600	20.1
109.06519	15.0
109.10182	2.5
110.03706	1.0
111.04445	5.5
111.08093	4.5
111.11730	3.5
113.06018	1.8
115.05502	1.9
116.97241	9.5
116.98647	0.8
117.07002	5.1
119.08599	17.6
121.06549	4.2
121.10152	63.0
123.04468	5.6
123.08084	16.2
125.02367	2.9
125.06030	2.7
125.09614	1.7
127.07568	4.9
128.06247	2.9
129.07028	3.3
130.07787	1.8
131.99582	2.5
133.10078	1.1
134.95908	1.0
134.99614	1.7
135.08072	8.5
135.11708	9.2
137.09583	2.2
138.06778	1.5
139.03908	2.0
139.07565	8.6
139.11212	3.4
140.04698	21.9
141.05496	1.5
141.06975	1.3
141.09113	1.8
142.07809	1.9
143.08543	6.5
145.10139	34.5
151.03880	1.1
152.97017	3.6
153.09145	2.1
154.06264	4.7
155.07033	6.8
156.09320	2.5
157.10147	9.3
163.11195	100.0
171.07974	1.2
171.11700	3.9
175.98537	7.0
181.05038	1.7
181.08736	4.2
181.12242	93.0
182.08183	2.8
184.07317	14.6
184.08815	1.6
199.03978	1.8
199.06046	1.4
199.08762	3.9
199.11357	3.3
199.13307	7.8
199.14934	10.5
199.18922	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
53.03939	0.7
54.12825	0.4
55.05509	1.2
55.24059	0.5
57.07079	5.5
67.05514	2.9
69.07085	3.4
69.24106	2.3
69.24530	2.3
71.08645	1.8
79.05497	1.9
81.07068	2.1
83.08621	1.3
91.05492	6.8
93.07057	2.6
95.04977	0.4
95.08621	3.6
102.57323	0.5
105.07038	26.2
107.08609	2.9
109.10178	1.6
112.28574	0.4
115.05457	2.8
116.06231	1.1
117.07024	40.1
118.96760	0.7
119.08591	11.3
119.42469	0.4
120.42350	0.5
121.10155	1.3
127.03940	0.9
128.06227	1.3
129.07019	4.5
130.07803	7.9
131.04932	0.6
131.08582	23.4
133.10170	2.3
142.07800	2.5
143.08585	5.3
144.09337	7.6
145.06470	1.6
145.10135	100.0
146.10745	0.6
155.08563	1.3
157.06487	0.6
157.10150	6.2
158.03583	1.0
158.10921	2.5
159.11705	82.2
160.12080	1.0
171.11707	0.8
172.12538	0.6
173.06036	2.0
173.09656	1.3
173.13326	3.4
177.98062	0.6
184.03496	0.9
186.03224	0.5
186.06720	0.6
186.14035	0.6
201.03781	0.9
201.05466	4.0
201.09154	6.3
201.12790	1.5
201.16397	58.6
202.16605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01876	3.4
55.05516	9.2
57.03442	7.2
57.07075	2.9
65.03937	1.7
67.05509	7.2
69.03439	4.5
69.07077	13.7
71.05000	25.8
72.04514	1.6
72.08167	10.2
74.09725	15.2
79.05503	15.3
80.05794	0.9
81.03436	1.4
81.07065	25.9
83.04993	2.9
83.08620	5.2
84.08977	1.4
85.02943	1.3
85.06532	5.0
86.09732	2.6
90.72694	0.9
91.05484	7.7
92.87704	1.1
93.03413	2.0
93.07050	51.7
95.04984	11.5
95.08598	5.2
97.06544	5.9
98.97588	3.0
99.04445	1.5
100.07620	6.4
103.05482	0.9
105.03394	1.2
105.04515	1.2
105.07034	10.7
107.04951	1.1
107.08600	20.1
109.06519	15.0
109.10182	2.5
110.03706	1.0
111.04445	5.5
111.08093	4.5
111.11730	3.5
113.06018	1.8
115.05502	1.9
116.97241	9.5
116.98647	0.8
117.07002	5.1
119.08599	17.6
121.06549	4.2
121.10152	63.0
123.04468	5.6
123.08084	16.2
125.02367	2.9
125.06030	2.7
125.09614	1.7
127.07568	4.9
128.06247	2.9
129.07028	3.3
130.07787	1.8
131.99582	2.5
133.10078	1.1
134.95908	1.0
134.99614	1.7
135.08072	8.5
135.11708	9.2
137.09583	2.2
138.06778	1.5
139.03908	2.0
139.07565	8.6
139.11212	3.4
140.04698	21.9
141.05496	1.5
141.06975	1.3
141.09113	1.8
142.07809	1.9
143.08543	6.5
145.10139	34.5
151.03880	1.1
152.97017	3.6
153.09145	2.1
154.06264	4.7
155.07033	6.8
156.09320	2.5
157.10147	9.3
163.11195	100.0
171.07974	1.2
171.11700	3.9
175.98537	7.0
181.05038	1.7
181.08736	4.2
181.12242	93.0
182.08183	2.8
184.07317	14.6
184.08815	1.6
199.03978	1.8
199.06046	1.4
199.08762	3.9
199.11357	3.3
199.13307	7.8
199.14934	10.5
199.18922	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01868	5.0
56.96568	3.7
57.03442	24.1
58.99878	2.1
61.02928	16.8
61.95602	1.2
67.05509	1.7
68.98310	2.2
69.03088	1.9
69.03440	27.9
70.06599	7.9
70.30356	1.5
70.30718	5.0
70.99859	3.0
71.01353	3.5
71.04996	8.1
71.06930	1.5
72.08151	2.1
73.02927	52.2
74.02221	1.2
79.21067	1.2
81.03426	17.7
81.22441	1.3
82.99846	3.8
83.01336	1.8
85.02914	48.7
86.03703	8.6
87.01898	2.6
87.04480	4.4
88.02702	2.9
89.00893	2.0
93.01898	3.4
96.02449	1.5
97.01396	3.4
97.02887	20.5
98.97593	31.6
99.04450	8.3
100.00116	3.1
100.02642	3.6
100.05259	6.7
101.00229	1.7
101.00887	29.0
101.02515	1.9
101.03436	1.1
102.00981	2.4
102.02409	8.5
103.00643	5.2
103.02504	3.0
105.01933	1.4
106.02693	1.8
107.52332	1.3
108.02437	3.3
109.02851	12.3
110.97583	1.6
111.02924	6.3
112.02676	1.5
113.00896	10.6
113.01609	2.4
114.02417	7.8
115.02441	8.5
115.03204	3.7
115.03930	2.6
115.92482	1.3
116.97247	3.3
116.98630	14.1
117.02139	2.1
117.02937	4.0
118.01140	2.7
118.03669	1.6
119.01926	26.2
120.02423	2.0
121.01698	6.1
121.03176	4.0
122.84204	1.3
123.02944	7.9
123.04417	1.4
124.02599	1.4
125.00894	2.1
125.04481	1.6
126.02448	3.2
126.03354	1.2
127.02522	5.9
127.03934	43.6
129.02933	7.7
129.03917	2.6
129.52974	1.7
130.03668	6.2
131.01909	21.1
131.02774	1.3
131.99652	1.3
132.01971	1.5
132.03448	8.4
133.01668	1.3
133.03447	9.0
134.03845	1.3
134.04843	1.9
134.05983	2.1
134.99658	4.4
135.02911	6.9
136.03693	4.9
136.07579	7.2
137.02815	3.6
137.04486	1.6
137.53352	2.1
138.03424	7.3
139.02461	5.3
139.04207	3.2
140.07071	1.7
141.00427	1.4
141.03922	2.1
142.01138	2.8
142.03583	2.8
143.01903	23.3
143.02890	1.7
144.03450	8.8
144.53416	1.5
145.03374	14.9
145.05136	2.2
146.06046	5.1
146.53928	1.7
147.01379	2.2
147.02933	1.8
147.03984	2.9
147.05013	2.3
148.01704	1.3
149.00891	2.5
149.02881	2.5
151.04279	5.9
152.07040	2.3
153.03981	9.4
153.06618	5.4
154.03584	1.6
154.04723	2.3
155.01906	17.2
156.97504	4.8
157.03477	17.6
158.01311	2.0
158.03638	2.9
159.01387	1.8
159.05067	3.4
159.54144	1.6
160.02235	1.9
160.04779	4.5
161.02988	21.0
162.03160	2.4
162.04451	4.0
163.08701	3.5
163.74049	1.4
164.07054	3.8
165.03990	2.0
167.01910	20.4
169.03517	3.9
169.05228	3.6
171.03430	1.6
171.05064	4.8
172.02260	1.5
172.04634	1.6
173.02991	20.7
174.04585	2.4
174.98581	3.1
175.04552	15.4
175.98582	2.5
176.04552	1.6
176.05927	1.8
177.02470	2.9
178.05838	3.0
179.04053	1.5
181.05322	3.7
181.09792	5.7
182.08141	36.0
183.04994	3.8
184.02179	3.5
185.02975	100.0
186.03200	7.1
187.02824	1.8
187.04507	3.3
189.06059	1.4
190.05884	4.4
192.05536	1.6
193.05667	1.9
197.02945	2.4
198.98595	2.0
199.04539	4.8
199.06046	4.6
199.10847	5.7
199.18889	5.0
200.03239	2.5
200.09265	1.4
202.03235	2.7
203.02293	1.1
203.04030	24.4
204.04247	2.0
204.14317	1.5
208.04562	2.7
209.02992	10.7
209.76430	1.2
215.04037	3.2
216.99622	3.5
217.05551	9.4
217.07397	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.053
Annotation	FR 900098
Peak:m/z	Relative Intensity
50.49509	0.6
59.62737	0.6
61.58537	0.6
68.01414	0.7
70.06604	4.3
71.50368	0.9
85.42944	0.6
153.97122	0.8
186.31567	0.6
198.05309	100.0
198.18578	0.8
199.05855	0.7
201.60968	0.7
213.60745	0.6
216.07176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71118	0.1
55.05514	0.2
56.96556	0.3
58.99881	0.1
70.06599	0.1
71.50082	0.2
74.09727	0.2
82.99857	0.3
83.01509	0.2
89.12803	0.1
98.97599	1.3
101.00886	2.2
101.02597	0.2
102.94349	0.3
113.05913	0.2
116.01932	0.1
116.97211	0.3
116.98606	0.8
118.68844	0.1
119.01933	3.2
120.95324	1.7
121.96186	0.3
125.07124	0.2
128.49965	0.2
131.01932	0.2
133.01630	0.1
134.04753	0.1
134.99759	0.2
137.02959	0.5
138.96420	18.3
139.96474	0.3
143.20615	0.1
146.00592	0.1
148.95969	0.3
149.99692	0.2
154.49718	0.2
154.97687	0.2
156.97487	100.0
157.97565	1.7
158.97960	0.4
161.98042	0.2
162.02002	0.2
163.98312	0.3
164.96429	0.2
165.00249	0.2
166.48584	0.3
166.98677	0.1
168.07762	0.2
169.06119	0.2
170.99048	0.2
171.07704	0.1
174.98546	73.6
175.49129	0.3
175.98631	1.3
176.05968	0.3
176.98932	0.4
179.99089	1.7
180.97517	1.6
180.99220	0.9
189.00122	0.1
198.00163	0.9
198.18544	1.6
198.98544	23.1
199.18948	0.8
199.98689	0.3
216.99602	45.9
217.99780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	1.5
55.01859	1.6
55.05520	9.9
57.07071	2.0
59.80906	0.8
67.05520	5.3
69.03421	2.0
69.07069	18.6
70.03377	0.8
71.04663	0.9
71.04990	5.7
71.52497	0.8
72.33562	0.8
79.05499	10.5
81.03453	2.1
81.06584	1.8
81.07064	28.5
83.08620	11.4
85.06561	1.6
89.03915	10.6
91.05494	3.9
93.03412	1.1
93.07055	18.6
95.04978	1.3
95.08614	50.3
97.06560	0.9
97.10170	3.8
99.08108	9.3
105.07033	3.4
107.04976	6.9
107.08603	34.7
109.02879	1.7
109.10176	9.2
111.08084	1.7
113.09666	8.8
117.03385	24.3
119.08578	1.2
121.06513	1.7
121.10150	52.1
122.08070	0.8
123.11685	2.5
125.06003	0.9
125.09630	5.0
130.96301	1.1
134.03630	3.2
135.04460	4.1
135.08063	1.5
135.11716	12.2
137.12306	1.5
137.13264	13.3
139.11147	2.5
145.02853	49.9
148.97339	0.8
149.06001	13.0
149.13278	4.6
153.97919	1.4
163.03922	10.1
167.07083	0.9
177.05486	63.8
177.12990	1.9
177.16399	100.0
178.05840	1.0
195.02899	1.2
195.06554	1.9
195.08246	1.4
195.11655	2.0
195.13701	1.0
195.15952	1.3
195.17455	7.1
212.93399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02378	0.7
53.03962	0.9
55.01873	0.8
55.05516	2.6
57.03435	0.8
57.07082	1.2
59.04995	2.4
65.03940	0.9
66.32355	0.5
67.05499	5.2
69.03432	1.1
69.07074	1.3
69.23615	5.2
70.95863	4.5
72.93797	2.3
73.02930	1.0
77.03942	0.7
78.12704	0.6
79.05500	4.4
81.07071	4.7
83.04996	0.9
85.06564	0.9
91.05486	13.9
93.07046	19.3
95.04957	7.3
95.08605	3.3
97.06508	0.9
98.20805	1.3
105.07037	23.5
107.04997	0.7
107.08598	56.4
109.06529	4.7
109.10163	5.3
111.04439	0.8
111.08128	0.6
111.21467	0.5
111.98468	4.5
113.05996	0.9
117.07044	1.4
119.04949	2.2
119.06111	0.8
119.08593	5.8
120.09351	1.0
121.06512	6.4
121.10168	1.4
123.04421	3.9
123.11715	2.5
126.46241	0.5
128.06253	0.8
129.99506	2.1
131.08601	2.8
132.95847	11.3
132.96831	1.0
133.10135	57.2
135.08058	1.8
135.11697	54.9
137.05986	4.0
137.09604	5.4
141.06953	0.6
143.08549	1.4
146.07297	0.9
150.96896	6.1
151.03833	0.8
151.11172	4.5
155.97435	8.7
161.08528	0.6
161.09624	31.7
173.98489	7.0
179.10678	100.0
180.11061	0.7
182.10886	0.9
197.07994	2.0
197.11737	97.4
198.18526	2.3
216.14876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.63404	1.0
53.03936	2.8
55.01874	1.2
55.05512	8.5
57.03427	1.4
57.07082	8.1
59.04996	1.4
67.05507	14.5
69.03425	2.8
69.07063	7.1
70.95872	9.5
71.01357	100.0
71.04991	5.0
72.93787	4.9
79.05495	7.7
81.03433	6.6
81.07059	19.8
83.04980	3.9
83.08621	11.3
85.06549	5.2
85.10190	11.3
88.96893	1.9
91.05487	8.5
93.07054	11.1
95.04955	8.3
95.08614	10.9
97.02931	1.2
97.06528	8.1
97.10216	1.3
99.08122	1.2
100.91091	1.1
105.07047	11.9
105.62111	1.1
107.08596	23.5
109.06528	5.6
109.10162	33.1
111.08093	7.3
111.98476	12.3
113.05963	1.8
113.96423	1.2
119.04949	1.0
119.08591	5.0
121.06490	1.9
121.10152	2.5
123.04433	1.3
123.08061	2.7
123.11736	5.1
125.06021	5.2
125.08766	1.7
125.09624	15.6
127.11192	2.0
129.99490	5.0
132.95842	23.8
133.10118	14.4
135.11690	9.3
137.06020	5.7
137.09615	4.0
137.13258	3.8
139.07542	4.2
141.05461	9.7
141.06503	1.0
141.07002	1.2
150.46365	0.9
150.96906	20.2
151.03883	1.6
151.11214	7.6
153.09102	2.0
153.12773	4.2
154.06252	0.9
155.10677	73.4
155.97427	18.2
156.09312	1.2
161.09624	7.4
161.13245	3.1
165.05504	1.1
169.12415	1.3
173.98508	22.4
174.11992	1.0
179.08481	1.9
179.10684	28.5
179.14250	2.9
182.10950	1.5
197.00087	3.0
197.05962	4.1
197.08029	3.5
197.11742	76.4
197.13258	5.0
198.18533	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	197.1539
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03957	2.0
53.15725	1.3
55.01871	2.2
55.05275	2.2
55.05517	33.3
55.10769	1.1
57.03426	4.3
57.07059	4.0
65.89297	1.2
67.05188	2.2
67.05511	30.4
69.03429	2.1
69.07076	31.7
69.36200	8.4
69.70229	1.1
70.95858	5.3
71.05001	10.6
72.93802	1.7
73.06564	2.1
75.55964	1.3
79.05500	17.6
81.07062	85.3
83.04989	6.5
83.08627	24.4
85.06544	14.8
91.05495	19.8
93.07056	25.8
95.04964	3.2
95.08614	100.0
97.06538	22.1
97.10171	10.9
99.08086	8.0
101.06008	2.2
105.07040	28.3
107.08598	19.1
109.06522	3.8
109.10161	7.9
111.08106	6.0
111.98491	9.9
113.09640	1.8
115.07544	3.4
117.07066	1.4
119.08590	45.3
121.10152	14.5
123.08094	9.8
123.11721	1.8
127.07590	2.8
129.99538	3.4
132.95865	18.9
133.10143	32.7
135.11703	33.6
137.09610	3.7
137.13275	32.7
141.09045	2.1
150.96927	12.8
151.03999	1.3
151.11166	2.7
151.14812	1.5
155.97453	13.5
161.09599	2.0
161.13271	88.8
173.98497	17.5
179.10777	6.3
179.14330	55.4
197.00031	1.5
197.05814	1.5
197.10040	1.2
197.11729	4.9
197.13461	2.7
197.15392	15.1
198.11249	1.5
198.18542	22.4
212.51897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05273	1.4
55.05517	16.9
57.07065	3.6
59.04992	1.4
67.05503	6.4
69.03434	10.7
69.07073	38.8
69.97531	4.3
71.04997	5.8
74.18605	1.1
79.05502	6.4
81.07066	34.4
83.04973	1.8
83.08624	14.8
85.06558	6.2
89.03912	1.9
91.05489	1.4
93.06487	1.9
93.07045	19.4
93.99525	1.2
95.08614	56.8
96.39398	1.2
97.10188	8.2
99.08099	54.3
105.07033	1.8
107.08605	42.6
109.10167	12.9
111.08084	15.6
111.11714	2.5
113.09641	7.4
117.03361	3.5
121.10156	64.2
123.11725	4.4
125.08781	1.1
125.09636	31.6
125.13273	1.4
133.10109	1.3
135.11684	17.8
137.13260	18.3
139.11214	3.4
145.02843	7.4
149.06021	2.1
149.13248	5.8
151.14868	1.2
152.17191	1.3
163.03922	2.0
177.05467	7.4
177.16402	100.0
195.17480	21.4
201.07649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.64241	0.7
55.05510	8.6
55.25581	0.7
57.03456	0.9
57.07062	2.7
67.05514	4.0
68.35389	0.7
69.07076	15.8
70.53961	2.1
71.04997	4.9
78.07484	0.7
79.05488	6.0
81.03452	0.9
81.07066	25.6
83.05023	0.8
83.08626	12.0
85.06538	2.2
89.03962	4.5
89.06017	0.7
91.05478	2.4
93.06485	1.1
93.07053	14.9
95.08617	47.2
97.10184	5.2
98.20875	0.8
99.08109	8.5
105.07031	2.0
106.04191	0.7
107.04948	1.5
107.08604	35.3
109.10185	6.9
111.08113	1.7
112.72256	0.7
113.09649	7.0
113.95439	0.7
117.03393	10.2
119.08592	1.6
121.10155	53.1
123.11690	1.1
125.09634	3.7
133.98363	0.7
134.03629	1.1
135.11722	11.2
137.13283	12.6
139.11153	2.2
144.41054	0.8
145.02859	19.8
149.05998	4.8
149.13297	4.0
153.05489	1.5
163.03923	2.9
177.05495	25.4
177.16403	100.0
178.16713	1.0
195.17480	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	1.1
55.01882	1.3
55.05523	7.2
56.96583	0.7
57.07079	1.8
67.05502	6.0
68.47277	0.8
69.03439	1.4
69.06734	1.3
69.07075	15.4
71.04987	3.5
71.52505	0.9
71.96252	0.8
72.06750	0.8
79.05499	8.6
81.03435	3.8
81.06592	1.4
81.07066	28.2
83.04995	1.2
83.08624	8.9
85.06561	1.3
89.03413	1.3
89.03928	15.6
89.06017	1.5
91.05479	5.8
93.07048	14.2
95.04977	2.0
95.08619	37.1
97.10199	4.5
98.22481	0.8
99.08099	7.6
103.05440	2.2
105.04558	0.8
105.07057	3.8
106.04182	1.6
107.04971	8.7
107.07874	1.6
107.08604	27.6
109.02889	1.8
109.06484	1.5
109.10181	8.6
111.08073	1.9
113.09627	4.8
116.04807	0.9
117.03392	34.6
118.03594	0.8
121.02887	3.3
121.06527	1.3
121.10156	43.8
123.11712	1.7
125.06000	1.2
125.09628	7.2
130.96275	1.1
131.08597	1.0
133.02808	1.3
133.10139	1.0
134.03632	5.2
135.04413	5.6
135.08064	2.0
135.11714	11.1
137.13281	10.2
139.11177	2.4
145.02861	70.0
148.97389	1.0
149.05988	17.9
149.09654	1.3
149.13303	4.0
153.05461	1.3
153.09109	3.1
153.97899	1.1
159.11699	0.9
162.03136	1.5
163.03906	14.9
163.06242	0.8
167.06989	1.3
171.99002	1.0
177.05489	100.0
177.16399	75.3
186.05547	2.9
195.02937	1.3
195.05009	0.9
195.06473	4.9
195.08179	1.4
195.10155	2.2
195.11714	1.9
195.13828	2.5
195.17419	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	6.8
55.01862	5.1
55.05516	17.4
55.64816	1.1
56.96545	1.2
57.03434	7.8
57.07067	3.0
58.01693	1.3
65.03936	3.4
67.05509	71.8
69.03413	3.7
69.07071	19.8
70.06596	2.0
71.01351	2.1
71.04998	7.9
71.08620	1.2
71.52233	1.4
79.05498	40.2
79.88693	1.2
81.02990	2.1
81.03425	27.9
81.07059	100.0
83.04984	19.2
83.08625	9.9
84.08126	3.1
85.02887	1.5
85.06535	3.7
89.03926	5.1
89.06042	13.6
91.05486	33.8
93.07047	71.7
95.04980	10.6
95.08611	37.5
97.06527	15.8
97.10162	1.7
99.08097	3.1
103.05479	1.1
105.07034	13.9
107.04946	5.6
107.08597	30.6
109.02880	5.2
109.06511	4.6
109.10162	4.1
111.08085	8.0
117.03385	10.1
117.04099	1.9
117.07023	12.9
119.08585	5.0
121.06508	10.0
121.10147	15.2
123.08051	2.1
123.11686	1.9
125.09660	1.3
131.08574	16.6
133.02853	3.6
133.08604	3.0
133.10141	20.2
135.04416	5.5
135.08069	6.5
135.11699	31.6
139.07547	2.7
139.11142	1.5
145.02852	18.0
149.02379	1.5
149.05974	7.4
149.09621	2.9
149.13264	25.4
149.97249	1.7
151.11192	2.9
153.09122	1.2
153.97873	2.5
159.11705	20.9
163.03912	50.3
164.53786	1.4
165.07047	2.4
167.07059	2.4
167.08858	1.5
177.05476	33.5
177.09013	1.6
177.12755	12.2
177.16354	3.9
180.09314	1.9
195.00990	1.7
195.02869	6.5
195.06487	2.8
195.08421	2.3
195.10004	2.6
195.11612	5.2
195.13808	30.4
195.15720	3.8
195.17464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.81728	1.8
52.93607	1.9
53.03949	5.6
55.01878	5.2
55.05517	16.0
56.96567	3.3
57.03452	8.9
57.07074	8.6
64.41731	1.8
65.03946	3.3
66.17955	1.7
67.05511	54.4
68.96333	2.8
69.03437	2.9
69.07073	18.4
70.06585	4.2
71.01363	2.1
71.04994	8.4
79.05505	38.4
81.03427	19.2
81.07066	81.9
83.04988	13.1
83.08623	11.9
84.08167	2.7
85.06559	3.3
89.03926	11.9
89.06016	10.5
91.05493	20.6
93.07054	53.8
95.04980	8.3
95.08620	33.8
97.02910	1.8
97.06559	14.3
97.10216	2.2
98.06068	2.3
99.04430	3.4
99.08115	3.5
100.02510	2.4
103.05511	2.4
105.07051	9.9
107.04955	9.5
107.08616	34.4
109.02883	8.0
109.06504	4.4
109.10163	2.9
109.98995	3.3
110.99051	3.9
111.04433	4.6
111.08088	6.9
117.03387	27.4
117.07030	7.6
119.08581	3.2
121.06538	6.8
121.10159	17.8
123.08084	2.3
125.09588	2.8
130.96318	4.4
131.08623	12.8
133.02853	6.7
133.06535	3.1
133.08632	2.2
133.10172	11.6
133.83829	2.2
134.03670	4.7
135.04465	11.6
135.08055	6.8
135.11716	30.5
136.58044	3.4
139.03885	2.3
145.02867	46.4
148.97368	8.2
149.06003	13.2
149.09625	5.2
149.13292	20.1
153.97896	5.6
159.11699	14.6
162.03146	2.2
163.03931	100.0
163.07559	2.6
165.07048	3.4
167.07068	4.3
167.08630	3.3
171.98981	5.7
177.05489	75.3
177.09042	3.3
177.12755	12.1
177.16409	4.6
180.09438	1.9
186.05591	2.3
195.02899	7.5
195.06529	6.1
195.08191	11.2
195.10172	7.9
195.11621	10.3
195.13829	15.0
195.15709	6.5
196.09662	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	2.3
55.01868	2.6
55.05517	30.8
57.03432	3.9
57.06837	1.4
57.07080	17.1
57.52807	1.1
59.04990	2.4
63.02365	1.2
65.03941	1.2
67.05509	23.6
69.03416	3.4
69.07075	46.2
70.27224	3.6
71.04999	9.5
71.08618	4.0
77.03922	1.3
78.04710	1.1
79.05067	1.9
79.05496	25.4
81.03394	3.8
81.07064	77.7
83.04961	3.3
83.08624	22.7
85.06553	13.1
85.22556	1.1
89.03928	12.1
89.06022	1.2
91.05477	12.0
93.03390	1.3
93.07051	51.8
93.07642	2.6
93.28829	1.0
95.04966	3.1
95.08614	100.0
97.06520	4.4
97.10176	20.4
98.97588	1.3
99.07510	1.3
99.08102	17.9
99.93224	1.0
103.05457	4.3
105.07054	9.2
106.04184	1.9
107.04967	24.2
107.08602	71.6
109.02893	2.5
109.06549	2.5
109.10164	29.7
111.04411	1.3
111.08099	5.1
111.11754	7.3
113.09634	3.4
117.03387	28.7
119.08562	1.5
121.06508	1.7
121.10152	81.3
123.11714	12.8
124.04320	1.1
125.06001	1.9
125.09679	7.0
130.96312	2.3
134.03636	5.3
135.04414	3.8
135.08075	7.4
135.11700	28.3
137.13271	20.5
139.11205	6.3
145.02859	52.6
148.97462	1.2
149.05986	15.8
149.09666	1.5
149.13266	6.6
151.14879	5.8
153.12726	2.1
153.97974	1.6
154.06219	1.8
162.03224	1.4
163.03931	8.9
163.07538	8.9
167.07060	9.0
177.05489	75.3
177.16399	93.5
180.07835	2.7
191.18227	1.2
195.06519	3.2
195.10159	14.1
195.13771	2.6
195.17455	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.06351	1.0
53.03942	1.3
55.01873	4.0
55.05516	16.7
57.03438	1.1
57.07091	4.9
59.05002	1.6
59.08909	1.0
60.10036	0.9
62.37086	1.0
64.65086	1.0
67.05511	9.3
69.03440	8.0
69.07076	36.8
69.29173	4.4
69.29595	4.0
71.05011	6.8
71.08623	1.2
79.05499	9.3
81.03415	4.0
81.07066	32.0
83.04972	2.1
83.08623	15.3
85.06546	3.8
89.03930	5.8
91.05497	4.5
93.07047	20.5
95.04971	0.9
95.08618	57.1
97.06561	1.3
97.10168	10.3
99.08107	47.4
103.05468	1.1
105.04533	1.1
105.07051	3.2
107.04996	5.0
107.08608	43.3
109.02888	2.0
109.06494	1.2
109.10172	14.2
111.08099	18.6
111.11752	2.4
113.09663	5.1
117.03391	14.8
117.11002	0.9
119.08553	1.7
121.02909	2.6
121.06551	1.6
121.10154	66.0
123.11729	3.7
125.09643	25.0
126.62988	0.9
131.08565	1.2
133.10109	1.3
134.03641	1.5
135.04459	3.3
135.08060	1.2
135.11711	16.8
137.13272	20.3
139.11192	4.4
145.02864	26.9
145.03999	2.0
149.06009	5.8
149.09650	1.4
149.13321	6.0
163.03944	5.2
165.05498	1.1
177.05498	34.1
177.16403	100.0
195.03021	1.9
195.08366	1.5
195.10185	2.9
195.13814	2.7
195.17470	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05526	0.4
56.12062	0.4
57.36114	0.4
63.02380	0.5
67.05530	0.5
70.33762	1.1
70.34114	0.4
78.04700	0.5
79.05495	0.7
81.03403	0.8
81.07081	0.4
81.40047	0.3
81.71956	0.3
89.03923	16.4
91.05456	1.8
93.03421	0.4
93.07048	1.2
95.04984	0.7
95.08616	0.8
103.05482	0.9
105.07021	0.6
106.04185	1.2
107.04965	2.4
109.02866	0.5
117.03386	39.7
119.04926	0.6
121.06510	1.2
121.10162	1.1
125.06007	0.9
134.03639	5.5
135.04411	3.2
135.08032	0.4
145.02853	73.3
145.13164	0.5
149.05986	18.6
153.05479	0.7
155.23740	0.4
157.13992	0.4
158.81461	0.4
162.03131	1.7
163.03900	7.6
163.07637	0.5
165.05571	0.6
167.70706	0.4
177.05478	100.0
178.05782	0.5
180.07837	0.5
186.05495	1.4
195.06509	1.7
195.08516	0.5
195.10124	2.5
195.13748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	0.9
61.45967	0.4
67.05507	0.6
69.03429	0.6
69.07081	0.7
70.06992	0.7
70.07385	0.7
78.04721	1.1
79.05502	1.4
81.03404	2.8
81.07070	0.8
83.04998	0.5
84.08154	0.5
85.02907	0.5
89.03922	15.9
89.06036	1.2
91.05481	2.5
93.03426	0.5
93.07061	1.5
94.02958	0.5
95.04951	1.0
95.08632	0.6
103.05456	1.1
105.07002	0.9
106.04174	1.4
107.04945	3.0
107.08593	1.2
109.02885	1.3
117.03388	39.7
119.04997	0.5
121.02925	0.7
121.06499	1.6
121.10150	1.0
124.05222	0.4
125.05969	0.9
129.04329	0.3
130.96284	0.7
131.08530	0.6
134.03639	5.4
135.04420	4.8
135.08093	1.1
135.11749	0.5
145.02856	72.2
147.04446	0.5
149.06001	18.5
149.09662	0.9
151.07549	0.8
153.05518	1.1
153.97844	0.5
162.03206	1.9
163.03908	7.9
164.59732	0.4
165.12785	0.4
167.06961	0.8
171.99001	0.6
177.05481	100.0
178.05873	0.5
186.05496	0.8
195.06526	1.7
195.08275	0.5
195.10178	0.9
195.15865	0.4
195.53340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02370	1.2
53.03935	3.8
55.01886	4.9
55.05271	1.0
55.05515	13.7
57.03444	7.5
57.07060	3.2
63.24467	0.8
65.03919	2.4
67.05510	61.1
68.99806	0.8
69.03416	2.2
69.07072	20.5
69.83275	1.8
69.83678	2.7
70.06568	1.1
71.01362	2.2
71.04996	6.8
73.02892	1.5
79.05500	41.8
81.03424	10.6
81.07062	100.0
83.04990	13.7
83.08628	11.7
85.06552	4.4
87.04459	1.0
89.03907	3.7
89.06023	2.9
91.05487	26.0
93.07051	65.5
95.04978	5.3
95.08615	35.8
97.06538	13.5
98.20812	0.9
99.04494	1.2
99.08084	3.2
102.89446	0.8
105.07040	9.3
107.04951	3.9
107.08601	30.0
109.02867	2.1
109.06507	3.1
109.10146	2.5
111.08098	5.9
113.06007	0.9
113.09634	1.5
113.21532	0.8
115.05476	0.8
117.03396	6.6
117.07037	10.9
119.08558	2.6
121.06491	3.9
121.10148	12.3
123.08066	0.9
123.11706	1.1
125.05997	1.1
130.96310	1.4
131.08592	13.2
133.02866	2.3
133.10132	14.5
134.03618	1.1
135.04428	3.2
135.08109	4.1
135.10709	1.8
135.11703	26.9
138.57286	0.7
139.07513	1.2
145.02844	13.3
147.11700	1.4
149.06010	4.1
149.09610	2.6
149.13275	25.5
151.11128	2.0
153.09067	1.2
159.11700	19.0
163.03926	21.8
166.00421	0.9
167.07065	0.9
170.10489	0.9
171.98953	1.3
177.04047	1.6
177.05478	18.3
177.12762	13.2
177.16397	1.7
180.09370	1.3
195.02934	2.1
195.06445	1.0
195.08049	2.0
195.10052	1.4
195.11673	2.9
195.13800	16.5
195.15587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	5.8
53.09982	1.4
55.01871	4.4
55.05516	16.9
55.81715	1.4
57.03437	8.6
57.07061	1.8
64.23046	1.2
65.03944	2.8
67.05512	68.7
68.96335	1.9
69.03431	3.4
69.06736	1.5
69.07078	18.3
69.69340	7.4
70.06601	3.3
71.01369	1.8
71.04998	10.5
71.95266	3.9
79.05500	52.5
81.02986	2.3
81.03419	24.0
81.07062	100.0
83.04990	26.4
83.08632	9.4
84.08140	1.7
85.02911	3.0
85.06548	3.9
87.04446	1.8
89.03932	6.7
89.06036	15.7
91.05490	31.2
93.07051	68.0
93.37099	1.2
95.04991	11.0
95.08619	43.4
97.06539	12.8
97.10167	2.1
98.06026	1.8
100.02486	1.8
105.04508	1.8
105.07042	13.9
107.04961	5.8
107.08605	31.9
108.62263	1.2
109.02898	4.1
109.06535	5.1
109.10155	4.5
109.98951	2.0
111.04436	1.6
111.08093	7.7
117.03368	15.4
117.07037	15.7
119.08596	6.7
121.06506	8.1
121.10157	17.3
123.08107	2.4
123.11701	1.7
127.14322	1.4
130.96321	2.3
131.08578	14.4
131.96152	1.9
133.02856	4.7
133.08641	3.3
133.10118	18.8
134.03651	1.4
135.04433	7.3
135.08041	6.0
135.11696	28.5
139.07538	1.6
145.02863	24.2
147.11662	1.8
148.97351	5.4
149.06017	9.7
149.09584	3.3
149.13257	19.4
151.11194	3.6
153.97885	1.9
159.11700	22.9
163.02559	3.2
163.03918	56.0
165.07013	3.7
167.07074	1.7
171.99063	3.5
177.05490	38.0
177.09009	1.7
177.12772	15.2
177.16418	2.1
180.09357	4.2
184.23146	1.4
195.02901	7.9
195.06523	3.1
195.08176	3.3
195.11624	9.2
195.13820	27.7
195.15741	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05296	1.1
55.05513	10.4
57.03426	3.3
57.07073	3.0
60.58345	1.1
67.05511	14.7
69.03419	2.7
69.07069	14.4
69.55228	8.1
70.52238	1.1
71.04985	1.9
75.25570	1.3
79.05495	11.5
81.07065	29.7
83.04983	2.6
83.08639	5.7
83.10005	1.1
85.06528	2.5
91.05489	16.3
93.07050	25.1
95.04968	2.5
95.08614	34.8
97.06510	3.2
97.10189	1.7
99.08092	6.9
103.05442	1.7
105.07037	48.7
107.07877	1.9
107.08599	35.3
109.06541	6.5
109.10166	32.6
111.08051	1.8
115.05470	2.0
117.07037	3.6
119.08588	79.6
121.09335	1.7
121.10149	20.9
123.08078	4.7
123.11738	7.8
125.09519	1.3
131.08574	4.8
132.09415	1.4
133.06525	11.6
133.10138	69.5
135.11688	26.6
137.09607	8.1
137.13272	1.3
145.10120	3.3
146.10873	2.2
147.08008	1.7
147.11687	20.9
149.13277	12.9
151.11200	2.2
151.14767	2.0
160.12479	1.6
161.05984	15.7
163.14842	1.4
165.05409	1.5
165.16502	2.0
173.13254	1.2
175.14838	100.0
176.15211	1.2
177.31555	1.0
190.80566	1.1
193.04945	5.7
193.08623	4.0
193.15891	53.5
201.60048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05495	10.3
57.07077	5.7
59.04987	3.0
60.03867	2.1
60.20873	2.2
66.32683	2.3
67.05502	12.5
69.07060	15.5
70.19068	2.3
71.04982	6.7
72.89306	2.3
74.14473	2.2
79.05488	9.1
79.92493	2.0
81.03400	2.4
81.07065	28.9
83.04977	11.0
83.08600	3.2
85.06524	6.8
91.01743	2.1
91.05472	13.6
91.19080	2.0
91.48134	2.0
92.76723	2.5
93.07044	37.2
95.04961	4.0
95.08064	3.4
95.08618	36.7
97.06528	2.8
98.20747	5.9
99.08084	12.1
103.05492	2.4
105.07036	39.2
107.08600	46.9
109.06520	5.4
109.10162	28.8
113.09595	3.0
115.05476	2.7
118.04205	2.7
119.08588	70.0
121.10160	17.9
123.08073	10.0
123.11710	12.5
133.02910	3.1
133.06537	12.9
133.07314	2.4
133.10139	100.0
135.11693	83.8
137.09604	13.4
147.11694	7.8
149.13258	9.1
151.11275	2.7
151.14871	3.1
161.05991	18.7
164.48860	2.5
175.14836	86.4
178.02544	4.7
188.37839	2.4
193.04922	16.0
193.08623	7.6
193.15897	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02385	0.5
52.36230	0.4
53.03953	0.4
55.05510	1.7
57.03427	0.4
57.07067	0.6
63.69922	0.4
65.03944	0.5
66.02688	0.4
67.05512	2.3
68.99780	0.5
69.03421	1.0
69.07070	2.6
69.33871	3.5
71.04985	0.8
77.03922	0.7
77.12449	0.4
78.04744	1.1
79.05505	2.5
80.10949	0.4
81.03410	2.4
81.07059	5.2
83.04969	0.9
83.08623	0.6
84.08150	0.4
85.06575	0.9
89.03925	16.4
89.06058	0.8
91.05487	3.5
93.07063	3.6
95.04974	0.9
95.08624	4.8
97.10195	0.7
98.21478	0.7
99.08098	1.9
103.05477	1.3
105.07058	1.3
106.04191	1.6
107.04958	4.0
107.08599	3.5
109.02888	1.0
109.06550	0.7
109.10167	0.9
111.04503	0.6
111.08111	1.1
113.09704	0.6
117.03389	37.9
119.08539	0.4
121.02856	1.9
121.06522	1.4
121.10151	5.1
124.05151	0.5
125.05992	1.1
125.09657	1.3
130.96280	0.6
134.03641	6.3
135.04419	4.8
135.08072	0.8
135.11690	1.9
139.03918	0.7
145.02856	73.7
148.97313	0.5
149.02451	0.5
149.05991	18.7
149.09674	1.0
149.13261	0.8
150.15820	0.4
152.30978	0.4
153.05481	0.9
153.09111	0.9
153.97968	0.5
158.05962	0.6
159.11784	0.4
162.03145	1.7
163.03912	9.9
163.07562	0.8
165.05548	0.6
167.07028	0.7
171.98885	0.5
177.05484	100.0
177.16374	4.8
178.05812	0.6
186.05531	1.8
195.02943	1.0
195.06630	2.1
195.10164	1.4
195.11653	0.9
195.13623	0.6
195.15746	0.5
195.17413	1.5
214.76935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03984	1.6
55.01923	1.6
55.05515	5.9
57.03462	0.9
57.07123	2.2
63.02444	0.7
65.03969	0.9
67.05508	4.8
67.70356	0.6
69.03475	2.2
69.07073	8.6
69.30496	1.8
69.30919	3.3
69.64566	0.6
71.05043	2.4
79.05498	8.4
81.03468	2.7
81.07057	12.7
83.08604	4.3
85.06569	3.4
89.03922	15.7
89.50272	0.5
91.05489	7.5
93.03416	0.7
93.07047	9.0
94.28467	0.7
95.05012	2.6
95.08611	18.0
97.06593	1.2
97.10158	3.6
98.97628	0.7
99.08091	6.7
103.05464	5.8
105.07035	6.6
106.04221	1.7
107.04959	40.6
107.08594	15.3
109.02916	1.1
109.06542	1.2
109.10164	5.3
111.08145	2.3
111.11757	1.3
113.09713	0.8
115.05507	2.6
117.03385	37.4
117.07019	1.2
119.00005	0.8
119.08608	1.0
120.05724	1.6
121.02921	0.7
121.06558	2.0
121.10152	17.9
123.04498	1.3
123.08109	0.6
123.11675	2.8
125.06036	1.4
125.09636	4.1
130.96315	0.7
133.02930	1.0
134.03665	4.8
135.04433	4.3
135.08061	10.9
135.11719	5.3
137.06047	1.1
137.13266	4.5
137.93330	0.6
139.03935	1.1
145.02852	70.0
147.04393	1.4
148.05281	0.7
149.05978	15.9
149.13310	1.5
151.03944	0.7
153.01830	0.9
153.05501	0.8
154.06287	2.6
162.03107	1.4
163.03928	8.4
163.07552	18.2
167.07048	16.2
171.99014	0.8
177.05476	100.0
177.12823	0.9
177.16393	24.2
180.07797	3.4
186.05536	1.3
195.06593	5.9
195.08505	1.0
195.10162	23.1
195.17467	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.01869	6.3
55.05516	15.0
56.96548	4.3
57.03443	3.9
57.07064	3.9
59.04987	3.5
65.03939	6.3
67.05180	4.9
67.05509	69.2
69.03423	9.7
69.07085	20.7
72.08140	3.2
75.71054	3.2
75.83612	3.5
79.05074	4.7
79.05496	56.4
81.03416	7.3
81.07061	72.3
83.04995	17.1
83.08605	5.0
85.06565	5.6
87.04467	3.9
91.05489	94.1
93.07050	50.4
95.04980	20.7
95.08604	34.7
97.02885	18.1
97.06529	22.3
99.08066	5.5
103.05479	7.7
105.07038	100.0
107.04948	7.6
107.08597	19.1
107.09204	3.3
109.06519	26.7
109.10149	11.1
111.04453	4.8
113.06039	3.3
115.05450	13.0
117.07021	4.8
118.04169	4.9
119.08583	58.6
121.06509	4.7
121.10151	22.5
123.04437	4.6
123.08073	9.1
123.11681	4.6
129.07034	18.1
131.08560	13.2
133.02831	14.5
133.06514	25.7
133.10143	77.8
135.11688	10.1
137.05968	10.0
139.03833	3.3
142.07750	5.0
145.10103	3.3
146.97421	7.4
147.04459	4.6
147.08044	8.6
147.11702	88.7
149.02350	16.3
149.06038	3.1
149.09634	7.4
149.13203	4.1
151.07494	3.5
157.10147	33.4
159.06828	3.2
161.06021	38.5
165.05476	6.6
165.09053	4.7
165.12785	12.4
169.99059	4.1
174.74440	3.6
175.11191	58.7
175.14799	12.5
178.02576	9.3
193.04970	77.8
193.06734	5.5
193.08572	13.7
193.10135	9.9
193.12238	65.6
193.14053	3.4
193.15916	18.0
193.17607	6.0
194.08058	5.1
194.15425	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.87800	0.8
53.03943	1.2
53.23759	0.8
55.05516	10.6
57.07062	2.1
59.04990	2.8
64.09299	0.9
66.57424	0.8
67.05510	9.0
69.07077	32.2
70.56847	2.0
70.57186	1.2
71.05002	18.0
79.05499	8.4
81.03427	1.2
81.06593	1.5
81.07056	20.4
83.04963	1.3
83.08621	3.1
85.06554	9.8
91.05500	8.6
93.07050	25.5
93.25117	1.0
95.04380	1.7
95.04979	30.4
95.08616	19.8
97.02886	1.1
97.06540	4.0
97.10185	10.8
99.08104	7.6
105.07050	14.1
107.08603	28.8
109.06528	100.0
109.10166	17.6
111.08104	5.1
111.11723	3.9
118.64010	0.9
119.07816	1.9
119.08595	27.8
121.10159	8.2
123.08054	6.2
123.11724	22.9
133.02827	1.2
133.06509	3.1
133.10135	23.8
135.11703	38.2
137.09616	14.8
147.11725	5.7
149.13281	10.1
151.11223	6.3
151.14818	2.4
161.05989	2.8
175.14839	47.3
178.02661	2.4
180.11169	1.0
193.04970	9.6
193.08568	1.8
193.15901	83.3
194.15445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	7.5
55.01863	7.4
55.05271	3.4
55.05519	57.3
57.03428	4.6
57.07080	6.6
59.05004	6.0
67.05511	39.5
67.25623	2.4
69.03425	5.8
69.07079	31.7
70.94742	5.3
71.05010	4.2
75.58890	2.1
79.05504	36.9
81.06592	4.3
81.07063	70.9
83.04494	5.0
83.04989	100.0
83.08624	9.5
85.06536	9.5
89.23772	2.9
91.05488	27.9
93.07060	36.1
95.04973	9.8
95.08611	58.5
97.06535	5.1
99.08099	19.0
103.05463	10.3
105.07040	88.8
107.04955	2.7
107.08608	46.2
109.06537	13.2
109.10168	75.2
111.08067	10.4
111.11714	2.9
113.58101	2.6
115.05450	12.9
117.07018	6.6
118.04160	7.9
119.08596	73.9
121.10154	19.7
123.08060	14.2
123.11722	7.8
125.09619	4.0
131.04962	3.0
131.08594	8.6
133.06506	52.9
133.10144	79.2
135.11711	42.7
137.02293	2.9
137.09628	35.1
143.06078	6.6
146.03645	3.2
147.11739	18.3
149.13257	9.2
151.11208	3.9
161.06003	66.6
165.05470	3.1
165.16357	3.8
166.72482	2.3
175.14844	90.5
178.06256	6.9
193.04959	15.1
193.08601	19.4
193.12328	3.5
193.15897	82.2
196.72044	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02372	0.4
53.03962	0.3
54.36991	0.3
55.05504	1.0
65.03943	0.4
67.05503	1.5
69.03416	0.4
69.07072	0.7
70.56212	0.3
70.56515	0.4
77.03954	0.6
79.05495	1.3
81.03416	0.8
81.07066	1.8
81.92805	0.3
83.04991	0.5
83.08608	0.5
85.06546	0.8
89.03915	0.7
91.05492	1.4
93.07069	2.0
94.04215	0.4
95.04964	0.5
95.08603	2.2
97.02916	0.3
97.06483	0.3
99.08102	2.0
103.05469	0.6
105.03401	1.0
105.07038	5.1
107.04913	0.4
107.08607	2.6
109.06500	0.7
109.10158	2.2
115.05438	0.6
117.03382	0.4
118.04163	0.5
119.08585	4.0
121.02882	0.3
121.10145	0.8
121.86898	0.3
122.03647	4.2
123.08086	0.5
123.11714	0.4
131.08578	0.5
133.02861	33.8
133.06482	2.9
133.10149	3.7
135.11711	2.5
137.05986	9.1
137.09624	1.0
147.04411	0.5
147.08078	0.3
147.11720	0.8
149.02356	0.5
149.05992	2.7
149.13272	0.5
150.03152	2.9
161.02368	0.5
161.05983	3.2
165.05472	3.5
165.16563	0.4
175.07597	0.4
175.14842	3.1
178.02628	18.9
193.04973	100.0
193.15887	3.3
194.05331	1.1
211.79573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01599	1.4
51.02401	1.3
53.03949	7.1
55.01868	2.8
55.05519	8.2
56.96564	1.9
57.07077	2.2
59.05013	1.8
65.03943	3.3
66.22462	0.9
67.05509	28.9
69.03451	2.2
69.07079	8.8
69.22680	7.9
71.05001	10.2
73.06551	2.4
77.03921	3.5
79.05499	63.5
80.53672	0.9
81.03419	5.9
81.07064	25.0
83.04979	6.8
83.08621	2.6
85.02909	1.2
85.06561	4.4
87.04463	1.5
91.05486	91.7
91.62717	1.0
91.79894	0.9
93.07048	100.0
95.04974	17.4
95.08625	8.5
97.02879	1.0
97.06544	2.5
98.20763	1.3
99.08099	3.6
103.05463	3.7
105.04520	4.9
105.07037	52.6
107.04964	2.5
107.08601	7.7
109.06525	8.0
109.10167	5.8
110.09726	1.0
111.08092	1.1
113.06016	2.8
115.05473	5.5
117.07008	1.9
118.04166	2.0
119.04927	1.9
119.08595	19.1
121.10147	2.7
123.08115	1.0
123.11733	1.3
127.07536	2.4
129.07011	15.9
131.08571	23.8
131.09543	1.7
133.02879	4.3
133.06502	17.3
133.10139	87.8
133.26381	1.0
135.08109	1.0
135.11688	4.7
137.05986	2.6
137.09627	2.3
142.07774	4.4
143.06078	1.9
147.04402	2.1
147.08060	7.0
147.11691	19.2
149.09642	3.2
150.03082	0.9
151.07544	1.7
157.10150	22.1
161.06007	21.9
165.05557	1.5
175.11203	18.0
175.14844	4.0
178.02588	4.8
178.07797	3.4
193.04938	20.4
193.06523	1.5
193.08696	7.3
193.10202	5.9
193.12257	26.6
193.15883	7.3
194.15434	1.0
213.44948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03939	4.1
55.01868	8.5
55.05498	11.9
57.03442	3.4
57.07065	8.6
59.04990	3.4
60.71583	2.6
65.03917	7.0
67.05510	66.8
69.03418	7.6
69.07082	19.8
71.04996	6.5
71.52148	3.0
79.05080	3.4
79.05501	55.2
81.03419	7.4
81.07064	70.6
83.04998	14.9
83.08595	4.2
85.06538	6.2
90.48466	2.4
91.05490	100.0
93.07056	46.1
95.04967	19.2
95.08062	3.6
95.08618	37.6
96.31721	2.7
97.02899	22.9
97.06551	15.5
99.08092	6.4
103.05445	4.1
105.07039	97.8
107.04939	9.2
107.08585	19.7
109.06509	21.7
109.10149	11.3
110.79338	2.7
111.04446	3.8
111.08101	3.8
115.05438	11.1
117.07018	2.8
118.04185	4.8
119.08595	59.2
121.06540	5.2
121.10152	15.4
123.08047	6.1
125.05986	3.6
129.07019	18.8
131.08563	21.3
133.02867	9.6
133.06511	24.6
133.10144	90.7
135.08038	2.8
135.11693	15.3
137.05960	10.9
137.09618	6.2
141.13162	2.7
142.07780	5.7
145.10100	4.1
146.97479	6.2
147.04373	2.8
147.08038	6.5
147.11702	80.9
149.02345	5.9
149.09628	8.4
149.13309	4.3
151.11131	4.2
157.08968	3.3
157.10150	33.1
161.06033	26.2
161.09587	3.2
165.05460	4.7
165.12743	9.7
169.99036	4.0
175.11195	45.6
175.14845	19.1
178.02553	7.9
180.11070	2.8
193.03328	2.4
193.04982	64.9
193.08545	11.4
193.10306	7.3
193.12241	71.6
193.14122	3.4
193.15886	11.6
194.15341	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	3.7
55.05514	17.8
56.34748	1.2
57.03423	1.6
57.07071	6.5
67.05506	16.7
69.03426	5.6
69.07070	40.7
71.04985	5.6
71.08627	1.8
71.52411	2.7
77.03922	1.4
79.05497	18.6
81.07063	24.6
83.04952	1.8
83.08626	18.3
85.06538	4.0
91.05472	23.6
93.07047	51.3
95.04984	8.4
95.08611	74.0
97.06559	3.9
97.10175	8.0
103.05457	5.8
105.07036	44.6
107.04973	2.9
107.08600	83.9
109.06510	10.0
109.10159	45.4
111.11723	3.0
115.05479	2.1
117.07030	6.6
118.04153	1.5
119.08591	32.6
121.06502	6.4
121.10149	90.7
123.08106	9.6
123.11711	11.4
129.07021	2.8
131.04909	3.8
131.08582	29.5
133.09120	3.1
133.10141	65.7
135.08051	15.3
135.11693	64.7
143.08548	4.9
145.06459	2.0
145.10109	16.7
147.11700	29.3
148.05214	3.0
149.09624	17.4
149.13271	29.8
158.10924	7.7
160.04932	1.9
161.09569	2.0
163.03909	1.9
163.07538	4.3
163.11189	3.5
163.14832	11.1
173.05890	1.5
173.09659	2.6
173.13272	46.3
176.04718	1.9
191.03432	3.8
191.06990	9.9
191.10680	8.4
191.14328	54.5
191.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	18.6
56.05040	15.1
56.21856	6.5
56.96572	10.4
57.03427	32.4
57.07064	11.0
60.04511	8.0
61.02948	30.4
67.05534	6.9
69.03433	45.3
69.07056	10.3
70.06577	9.4
71.04988	16.2
71.50105	12.0
73.02917	74.6
81.03444	31.4
81.07098	7.3
82.01457	12.1
82.06577	10.5
82.29358	6.8
83.01527	9.0
84.04524	8.2
85.02913	58.7
86.03204	7.4
86.03693	9.3
86.06051	13.2
87.04472	18.9
93.01921	10.2
94.02652	6.6
97.01392	6.2
97.02903	76.0
98.09692	33.3
98.97602	31.5
99.00289	7.2
99.04443	10.4
100.02526	21.3
100.07621	7.4
101.00891	38.5
101.01473	7.2
101.02567	22.1
102.02424	10.8
103.00613	10.2
104.07084	12.3
108.02440	6.6
109.01499	6.7
109.02910	18.6
110.02157	7.6
110.06079	8.6
111.02931	17.0
111.04470	5.6
113.00878	29.6
114.03336	7.8
115.02419	13.0
115.03963	9.8
116.02527	13.5
116.10741	100.0
117.02161	7.7
119.01923	35.6
120.01963	8.8
121.03137	7.2
123.02917	15.0
123.04460	7.9
124.52379	9.0
127.02438	23.1
127.03943	22.2
128.02547	22.3
128.07109	11.5
130.08632	12.4
131.01918	41.4
132.03467	13.6
133.03436	11.3
134.02274	7.1
134.03592	10.4
135.03050	15.6
138.03438	18.8
139.04128	10.7
143.01897	52.6
144.03419	10.5
145.03513	35.6
146.02412	12.0
146.03584	77.4
146.08099	14.4
147.01450	10.6
151.04276	12.3
151.05493	8.4
153.03929	10.8
155.01872	34.4
156.06532	13.4
156.13866	10.6
157.03491	16.5
159.03343	8.0
160.58177	6.4
161.02945	36.3
162.03181	9.2
164.04630	11.2
164.09184	9.9
167.01895	11.6
168.05031	9.7
169.01564	11.7
169.03589	9.8
169.05232	54.7
170.03029	9.5
171.01382	7.7
171.55536	8.7
173.02997	37.7
174.03178	8.8
174.07571	16.1
174.14882	23.6
176.04790	7.6
180.56120	8.1
181.03514	14.6
185.02974	28.5
187.01102	10.4
187.02791	22.3
187.04549	14.9
191.03958	8.1
192.08749	38.4
192.10229	8.2
192.12334	16.8
192.15971	39.9
199.04526	12.8
203.04012	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.91707	1.3
52.99185	1.4
53.03405	1.1
53.91920	1.2
55.01865	1.8
55.05502	4.8
57.03433	2.3
57.10025	1.5
67.05508	21.5
69.03412	3.9
69.07069	8.8
69.85449	1.5
70.96184	2.5
71.04998	28.3
79.05509	12.6
81.07058	17.0
83.04972	2.7
83.08637	3.5
85.06558	9.3
91.05486	19.8
91.11353	1.5
93.07047	18.6
95.04972	15.3
95.08608	13.4
97.06525	6.2
103.05514	2.4
105.07042	37.9
107.04924	2.4
107.07883	2.6
107.08604	43.4
109.05372	1.7
109.06525	64.1
109.10164	73.2
109.66527	1.3
111.08074	2.4
115.05476	2.2
117.07015	6.3
119.06071	1.8
119.08594	25.6
121.06541	8.4
121.10151	41.3
123.08077	25.1
123.11693	2.2
123.90232	1.5
129.07002	3.7
131.08583	44.9
133.07635	1.4
133.10143	43.9
135.08066	68.3
135.11696	3.2
143.08589	6.2
145.10136	14.1
145.88927	1.4
147.08101	1.9
147.11702	23.6
149.09650	25.1
149.13274	11.4
150.10452	2.8
151.07837	1.4
158.10895	10.4
161.09590	3.1
163.07526	1.8
163.11046	1.6
163.14835	2.4
171.11761	1.9
173.13277	60.0
176.11989	1.6
191.07025	2.6
191.10663	4.0
191.14317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
52.14014	1.2
53.03943	3.0
54.71061	1.1
55.01863	1.9
55.05516	9.1
57.07067	1.7
61.54385	1.1
66.35580	1.3
67.05501	5.3
69.03437	20.9
69.07072	12.5
69.60803	3.5
69.61227	3.6
71.04974	2.2
73.26561	1.2
79.05495	15.8
81.07072	8.7
83.04971	5.2
83.08620	1.6
85.06509	1.9
91.05488	27.8
93.07059	14.0
94.04119	1.1
95.04992	3.1
95.08611	9.5
97.06545	3.7
98.20761	1.9
103.05460	3.1
105.07043	70.6
107.04943	4.9
107.08609	27.6
109.06544	7.2
109.10178	1.7
111.08098	3.4
115.05444	2.2
116.06250	1.9
117.07034	11.6
119.08595	100.0
121.06546	7.3
121.10155	17.9
123.08114	5.5
123.11735	1.2
129.07022	7.0
130.07768	3.8
131.04964	1.3
131.08580	49.3
132.09317	3.0
133.07556	1.5
133.10136	26.7
135.08072	18.2
135.11707	4.9
137.09599	2.1
143.08549	4.6
145.06477	4.3
145.10133	25.6
147.08086	3.5
147.11708	45.2
149.09637	45.7
149.13309	7.2
150.10526	1.5
158.10901	5.9
163.07610	4.2
163.11209	3.4
163.14825	3.0
173.09636	4.0
173.13284	24.9
176.12096	1.4
191.03349	1.2
191.06935	2.2
191.08438	1.9
191.10706	20.7
191.14326	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03940	2.8
53.57444	2.5
55.05519	17.9
57.07061	6.7
67.05504	15.2
69.03416	4.0
69.07071	32.0
69.57231	2.1
71.04977	4.4
71.52351	3.9
78.14858	2.1
79.05491	21.0
79.91351	2.0
81.07059	26.5
81.49491	2.1
83.08622	14.4
91.05495	17.2
91.42152	2.0
93.06480	4.1
93.07047	52.6
95.04959	8.8
95.08615	72.3
97.10181	11.3
103.05471	3.2
105.07037	26.4
105.44073	2.3
107.04960	4.9
107.08605	79.3
109.02866	2.3
109.06506	8.9
109.10162	57.3
117.07003	9.1
119.08587	15.2
121.06496	4.6
121.10157	83.6
121.11046	4.1
123.08064	5.7
123.11697	12.1
129.07002	3.2
130.07817	2.7
131.04826	2.3
131.08582	16.8
132.35739	2.5
133.10141	30.0
135.08086	16.4
135.11702	71.4
137.09697	2.0
143.08543	4.5
145.06483	3.3
145.10132	22.9
147.08102	2.7
147.11693	13.0
149.09625	10.0
149.13251	21.8
157.78763	2.2
158.10924	5.3
160.05101	3.8
162.05534	3.1
163.07620	5.2
163.11224	5.5
163.14806	3.9
173.09642	5.0
173.13274	22.3
191.03415	8.6
191.06926	12.4
191.08633	2.6
191.10612	18.5
191.14349	39.8
191.17963	100.0
193.30229	2.2
209.42673	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01847	1.2
55.05505	3.8
55.62257	0.9
55.67828	0.9
57.03423	1.9
59.04974	1.4
67.05507	7.1
69.03426	2.2
69.07059	7.5
70.47076	1.9
71.05000	4.4
79.05485	4.9
81.07066	8.1
83.08607	2.2
85.06525	1.7
91.05496	12.6
93.07059	10.6
95.04962	6.6
95.08612	8.6
97.06536	5.8
103.05449	1.2
105.07041	35.5
107.08599	18.6
109.06527	23.4
109.10162	23.7
109.10799	0.6
111.08089	1.4
114.05527	1.1
115.05482	1.2
115.69212	1.0
117.06300	1.0
117.07013	4.3
119.08588	18.3
121.06513	2.2
121.10155	13.1
123.08077	6.5
123.11701	4.2
129.06998	2.7
130.07759	1.3
130.45630	1.1
131.08583	36.9
133.10141	100.0
135.08061	27.2
135.11719	1.2
143.08571	5.9
144.09352	2.4
145.09067	1.3
145.10136	16.4
147.11703	18.7
149.09637	7.1
149.13275	14.3
158.10898	9.5
160.16574	0.9
161.09625	1.5
163.11143	2.4
163.14870	1.7
164.78380	1.0
173.13275	53.2
191.14323	44.6
191.16100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05502	4.7
57.03444	1.8
57.07080	1.8
59.04988	2.9
61.56707	1.0
65.26344	1.1
67.05507	8.1
69.03426	4.5
69.07074	10.9
71.04984	3.9
71.08850	2.4
79.05495	6.7
81.07059	10.4
83.04975	2.2
83.08613	5.3
85.06534	2.3
85.95956	1.4
91.05489	19.3
93.07046	15.5
95.04965	5.2
95.08629	9.1
97.06525	6.2
103.05447	2.1
105.07037	47.1
107.08604	25.1
109.06521	12.6
109.10155	12.2
111.08083	1.6
115.05484	1.3
117.07014	8.4
119.08600	30.0
121.06540	2.6
121.10159	19.3
123.08039	7.5
123.11728	3.5
129.07011	3.8
130.07785	2.0
131.08580	42.3
133.10146	100.0
134.73352	1.1
135.08058	17.8
135.11693	3.3
142.46140	1.2
143.08560	9.5
144.09366	3.9
145.10126	20.3
147.11693	25.9
149.09634	9.7
149.13255	23.2
158.10936	15.2
163.11179	2.0
163.14789	3.0
171.11644	1.5
173.13283	66.0
191.03442	2.0
191.06953	1.4
191.14326	57.7
191.17938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.3
57.03450	2.2
57.07064	1.9
66.57267	1.7
67.05500	5.8
69.03445	14.5
69.07079	14.3
71.04992	2.5
71.15771	3.6
77.30002	1.7
79.05502	9.9
81.07079	11.0
83.04961	5.5
83.08631	5.7
85.06571	3.4
91.05503	24.7
93.07072	14.2
95.04939	3.0
95.08606	8.2
97.06506	4.8
98.20901	1.8
103.05464	3.3
105.07054	66.7
107.04984	3.4
107.08622	32.8
109.06553	9.4
109.10171	8.3
111.08080	4.7
117.07028	10.9
119.08603	100.0
121.06520	7.6
121.10152	22.3
123.08074	8.4
129.07014	3.8
130.07811	2.3
131.08589	33.7
133.10162	37.0
135.08095	21.8
135.11711	3.7
143.08551	7.0
145.10149	23.2
147.11710	47.0
149.09633	37.8
149.13326	10.5
158.10997	8.6
161.09842	1.9
161.13326	2.6
163.07570	2.7
163.11227	3.2
163.14828	4.6
173.11964	3.2
173.13307	34.4
191.03471	2.6
191.07057	4.7
191.10748	10.2
191.14339	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.03948	1.8
55.01867	1.1
55.05516	8.0
57.07065	1.8
60.18456	1.0
67.05518	6.1
69.03090	1.6
69.03436	22.8
69.06735	1.1
69.07076	14.8
69.37501	5.2
69.37905	2.6
71.04986	1.7
79.05497	14.2
81.07066	7.9
83.04979	4.1
83.08640	1.1
85.06543	2.6
91.05493	24.4
93.07053	13.5
95.04976	3.1
95.08617	10.1
97.06539	3.6
103.05478	4.7
105.07041	74.4
107.04961	4.1
107.08608	25.6
109.06523	7.0
109.10136	1.7
111.08111	5.2
115.05441	2.0
116.06244	2.9
117.07017	10.4
119.08591	100.0
121.06506	4.7
121.10150	22.3
123.08060	6.4
129.07008	2.6
130.07782	2.4
131.04900	1.3
131.08582	26.7
132.09366	3.3
133.07599	1.5
133.10147	16.7
135.08067	16.8
135.11687	4.1
143.08559	3.6
144.09355	1.5
145.10143	18.6
147.08095	1.8
147.11703	41.4
149.09631	60.4
149.13271	4.4
158.10931	6.8
160.05051	5.5
161.09679	2.7
163.11201	2.8
163.14801	2.3
173.13284	23.0
176.12013	1.2
178.89560	1.0
191.03484	2.1
191.06874	1.3
191.10709	4.3
191.14323	70.3
192.07680	1.4
197.82559	1.0
212.12015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
63.43543	0.7
67.05493	0.8
69.03431	3.7
70.64383	2.3
85.02890	0.8
91.05493	4.1
92.81767	0.8
105.07043	10.3
107.08595	1.0
115.05418	1.1
117.07035	3.9
119.08586	13.0
128.06215	2.5
129.07016	3.0
130.07790	3.8
131.08578	5.5
133.06502	1.7
133.10123	3.4
141.06995	5.5
143.08575	4.1
144.09354	1.5
145.06470	1.3
145.10135	18.9
146.10887	1.3
147.08076	5.5
147.11703	12.4
155.08609	1.6
156.09364	47.4
159.08086	3.6
159.11705	12.9
160.08798	1.0
161.05992	1.6
161.09615	1.3
161.13249	1.0
171.11702	63.1
172.12048	1.6
174.10405	5.7
189.09158	2.2
189.12758	100.0
190.13100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37165	0.7
65.03954	0.8
66.68150	0.8
69.03423	4.1
69.16089	6.8
69.16490	1.5
71.98755	0.7
79.05482	1.6
91.05478	3.7
93.07053	1.5
95.08626	1.0
99.16485	0.7
103.05424	0.9
105.07045	10.4
107.08582	2.6
115.05474	1.3
117.07006	3.6
119.08596	14.6
128.06184	2.2
129.07019	1.5
130.07777	4.2
131.08609	4.3
133.06503	2.2
133.10146	4.7
133.64287	0.8
141.06995	5.6
143.08553	6.1
144.09338	2.8
145.09052	1.6
145.10135	19.1
146.10936	1.2
147.08055	5.0
147.11700	15.1
155.08600	2.4
156.09360	48.9
157.09877	0.9
159.08043	3.8
159.11717	13.1
161.09521	1.3
161.13228	1.4
161.96613	0.8
171.11702	61.5
174.10429	6.8
185.29959	0.8
189.05371	1.1
189.12758	100.0
190.13054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1238
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01873	2.5
55.05510	1.3
56.05036	0.6
56.96577	4.2
57.03450	4.0
59.05007	0.7
60.04549	0.6
60.08169	1.3
61.02930	1.5
65.03961	0.4
67.05506	0.5
67.34802	0.3
68.99795	0.6
69.03438	3.8
69.07069	2.0
69.58424	1.4
69.58827	0.7
70.06598	1.4
70.98137	0.4
71.01363	1.4
71.04996	1.0
72.08163	3.5
73.02931	3.6
73.06572	0.3
74.07178	0.3
75.04546	0.4
76.83820	0.3
79.02176	0.4
81.03430	1.3
82.06583	0.5
82.99838	0.4
83.01340	0.7
83.04982	0.8
84.04532	0.5
84.08155	6.8
85.02919	3.9
85.06561	1.6
86.03702	0.4
86.06088	0.4
86.09718	100.0
87.04488	1.9
87.10033	0.7
89.02382	0.6
91.05491	0.5
95.05012	0.6
97.02905	6.8
97.03528	0.5
97.83106	0.3
98.03252	0.4
98.21453	0.6
98.97598	4.6
99.02036	0.4
99.04484	0.6
100.07622	0.7
100.99165	0.5
101.00916	2.1
101.02408	4.7
101.03433	0.4
101.06018	0.4
102.01584	0.6
102.09192	1.4
103.02476	1.1
103.03964	0.5
105.07044	1.1
106.96582	0.8
107.04979	0.5
110.97601	1.0
111.00829	0.5
111.04462	0.9
112.99158	1.1
113.00904	0.6
113.02361	0.4
114.02376	0.4
114.05549	0.9
115.02477	0.8
115.03204	0.6
115.03942	3.9
115.05894	0.5
116.98661	1.9
117.02053	0.3
117.02903	0.5
118.08678	0.9
119.01928	3.3
119.04906	0.5
121.01598	0.5
121.02942	1.8
123.02985	0.7
126.02546	0.4
126.09155	0.3
127.02456	0.6
127.03953	0.8
128.02374	0.3
128.06183	0.3
128.98637	0.7
129.01912	1.0
129.02969	0.7
129.03920	0.7
130.02831	0.8
130.03731	0.6
130.08675	2.6
131.00182	0.8
131.01917	1.4
131.04889	0.5
131.55132	0.4
132.03490	0.4
133.03508	1.0
133.06561	0.6
134.99672	0.4
137.02896	0.5
138.03458	1.1
139.00226	0.5
142.98825	0.5
143.00204	0.5
143.01909	3.0
143.08720	0.5
144.01997	0.4
144.10271	1.9
144.11282	0.5
145.01717	0.5
145.03447	1.9
145.06531	0.4
146.08179	0.4
146.95428	0.3
146.99577	0.5
147.03137	0.8
147.04182	0.5
149.01183	0.4
149.03059	0.4
154.03807	0.8
155.01909	0.8
157.01355	3.9
157.03523	0.9
158.11839	0.8
158.99710	0.5
161.02997	3.2
161.04842	0.5
161.06036	0.6
162.03082	0.4
163.02748	0.4
163.04507	0.5
168.04488	0.6
169.03397	0.6
171.03047	0.3
171.05104	0.4
173.03003	1.1
174.06813	1.3
175.02827	0.5
175.04463	0.3
177.00938	0.4
177.02502	0.5
177.06123	0.7
178.04924	0.7
185.02985	1.5
186.04456	0.5
187.04488	0.5
188.07683	0.4
189.02574	0.4
189.04126	0.7
189.05690	0.7
189.09073	2.0
189.12305	2.2
189.16046	1.5
190.04918	0.4
191.04080	0.5
191.05862	0.3
203.04077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.56583	0.2
54.99377	0.2
61.13226	0.2
65.64449	0.2
70.63299	0.6
79.05463	0.2
89.03909	1.0
114.25132	0.2
116.04986	2.2
134.06001	0.2
135.04427	0.3
141.75185	0.2
144.04463	3.4
154.63020	0.3
162.05511	100.0
163.03824	0.5
163.05858	0.9
164.05916	0.3
190.05000	45.9
191.03432	0.5
191.05180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.034
Annotation	Ayapin
Peak:m/z	Relative Intensity
51.83917	0.5
53.03948	1.5
56.96558	1.0
60.13815	0.6
63.02378	0.9
65.03939	1.3
67.05500	1.7
69.03427	1.0
69.07096	0.6
70.74767	1.2
71.05003	0.8
77.03938	0.7
79.05499	6.9
81.07063	1.1
89.03922	33.5
91.05484	7.3
93.07074	1.1
93.09957	0.5
95.04974	2.4
95.08587	1.3
105.04544	0.5
105.07051	3.1
107.04963	9.4
107.08597	3.4
109.06507	1.4
109.10171	1.9
109.34343	0.5
111.57935	0.5
115.33711	0.5
117.03387	26.9
117.07073	1.0
119.04936	2.8
119.08596	1.6
120.08149	0.8
121.06489	1.2
121.10162	1.8
122.06005	0.6
123.04421	5.2
123.08068	0.6
131.04922	1.0
131.08575	3.6
133.10133	6.2
135.04422	92.2
135.08025	2.8
145.02858	15.5
145.03917	0.9
145.10144	2.3
146.06009	1.5
147.04431	1.3
147.11707	1.3
149.09592	0.9
149.13290	0.8
158.10905	1.2
163.03914	81.7
163.14827	1.1
164.04327	0.9
167.99487	0.7
173.02333	5.8
173.13332	3.6
191.03403	100.0
191.06766	2.6
191.14316	5.5
192.03773	1.3
195.31439	0.7
214.03874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.05037	2.3
57.03434	1.2
59.05013	2.2
60.04522	1.0
61.02934	8.2
65.31101	0.3
67.05502	1.1
69.03434	0.9
69.17500	3.9
70.02971	2.0
70.06565	0.6
71.05003	1.0
82.06586	4.8
83.04982	3.5
84.04512	100.0
85.02911	18.3
85.04840	0.8
86.04377	0.3
86.06068	0.8
87.04480	6.3
98.20778	0.7
100.07609	2.2
101.06033	0.4
110.06053	3.0
111.04482	1.2
112.03969	0.6
121.49557	0.4
126.05536	4.9
128.07091	7.2
129.05510	1.4
130.08853	0.4
142.08659	1.3
146.08145	1.9
170.08167	1.5
188.09212	15.1
188.15129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94445	0.3
54.49832	0.3
55.05509	1.0
56.05032	1.7
57.03439	0.9
59.05009	2.1
60.04532	2.2
61.02934	7.1
65.03962	0.4
68.05033	0.4
69.03444	0.8
69.85370	1.7
69.85741	0.6
70.02961	1.8
71.04996	1.2
72.04508	0.7
73.02909	0.4
75.04468	0.5
80.05026	0.3
81.03395	0.4
82.06590	6.7
82.82932	0.3
83.04996	4.5
84.04512	100.0
85.02911	18.1
86.06053	0.7
87.04474	7.3
87.04973	0.5
88.03992	0.4
98.06061	0.5
100.07625	3.2
101.06016	0.7
105.06985	0.3
105.94379	0.5
110.06057	3.2
111.04498	1.8
112.03978	0.6
112.73151	0.3
124.07661	0.4
126.05531	5.8
128.07089	7.8
129.05487	1.7
142.08673	1.5
146.08128	2.7
160.09717	0.7
167.05612	0.4
170.08203	1.9
177.53313	0.3
188.09209	16.5
189.09276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05509	1.1
56.05039	2.2
57.03442	1.4
59.04999	2.4
60.04522	1.2
61.02928	9.3
68.05065	0.4
69.03411	0.9
69.95981	0.9
69.96375	0.8
70.02966	2.2
71.01403	0.4
71.04981	0.9
72.04517	0.7
73.02916	0.4
75.04488	0.7
79.06712	0.4
82.06593	3.5
83.04983	4.9
83.61272	0.4
84.04509	100.0
85.02908	17.9
85.03442	0.4
85.04843	0.5
86.06079	1.1
87.04472	6.2
90.58205	0.4
91.03746	0.4
93.75051	0.4
98.06063	0.5
98.21519	0.4
99.04503	0.4
100.07606	1.9
110.06023	3.0
111.04454	1.5
112.03971	0.4
126.05529	5.2
128.07089	6.0
129.05489	1.5
142.08655	0.8
146.08142	1.4
146.10458	0.5
170.08093	1.0
171.06491	0.5
173.34009	0.4
188.09206	15.1
188.15192	1.1
189.12816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05508	1.3
56.05042	1.8
56.96574	1.5
57.03436	1.4
59.05003	2.2
60.04520	1.2
60.80636	0.4
61.02931	7.9
67.05491	0.6
69.03424	0.8
69.07068	1.4
69.93520	1.7
70.02957	1.5
70.06592	1.2
71.01321	0.5
71.05004	1.1
72.04507	0.5
72.08154	0.8
74.06034	0.4
75.04462	0.5
80.24080	0.5
81.03411	0.7
81.07029	0.6
82.06582	5.2
83.04986	4.4
84.04510	100.0
85.02911	18.4
85.03437	0.6
86.06095	0.6
87.04479	6.9
91.05489	2.4
96.04504	0.6
96.57942	0.4
97.02934	0.4
98.06066	1.3
98.97585	1.4
100.07633	2.0
110.06014	2.2
111.04434	1.1
112.03936	0.6
114.05560	1.1
115.05439	3.7
117.05726	0.9
117.07005	2.9
118.06553	49.0
118.70962	0.5
126.05518	4.9
128.07082	6.6
129.05490	1.2
131.82333	0.4
132.08067	0.6
142.06525	3.8
142.08640	1.8
143.07318	7.2
144.04378	0.5
144.08092	17.9
146.06018	75.4
146.08044	2.1
147.06436	0.6
155.06027	1.1
160.07535	1.1
167.04697	0.9
170.06017	5.9
170.07446	0.5
170.08128	0.9
176.05194	1.1
188.07079	23.3
188.09174	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	185.1176
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03954	1.8
55.01876	3.8
55.05515	24.3
57.03437	4.1
57.07076	7.8
59.05014	11.2
65.03947	1.7
67.05513	14.4
68.99804	2.0
69.03436	12.1
69.07069	15.4
70.06602	7.0
71.05003	48.5
71.06247	1.6
71.50743	2.9
73.02952	2.6
73.06562	1.9
73.37713	1.9
79.05507	25.5
81.07067	54.5
83.04990	19.9
83.08631	4.2
84.04502	2.3
84.08163	8.4
85.02940	9.0
85.06567	7.1
85.08469	2.9
86.03535	2.0
86.06063	2.3
86.09711	8.7
87.01975	2.0
91.05480	6.5
93.07049	31.7
95.04998	11.0
95.08614	24.3
97.02921	2.7
97.06535	19.8
97.10169	2.9
99.04462	10.3
100.07693	2.3
101.06027	17.8
101.95076	1.8
102.96879	7.6
105.07052	9.5
107.04949	3.5
107.08601	20.2
107.38171	1.8
109.02889	2.8
109.06532	5.7
109.10143	2.8
110.07151	3.1
111.04469	5.5
111.08086	6.9
112.07632	2.7
113.05981	9.7
114.05576	4.0
117.03423	2.1
119.01944	4.0
120.02038	8.0
120.97923	5.1
121.00826	2.5
121.06550	8.5
121.10159	100.0
123.08084	8.4
123.11712	23.4
125.02358	2.0
125.06026	19.8
125.09645	39.9
126.05561	2.5
126.06577	1.8
127.03983	2.4
129.04100	22.5
129.05515	6.7
129.07007	5.2
130.06512	2.2
131.08618	3.5
138.98979	4.1
139.01833	2.2
139.07556	5.3
139.11192	55.0
140.07100	3.9
142.07805	4.7
143.00111	2.1
143.03548	3.4
145.02869	2.4
149.06003	3.2
149.09653	19.1
149.13306	2.7
153.01854	2.4
153.05516	3.6
156.13828	3.4
157.06531	6.6
157.10139	3.7
157.14250	21.7
162.00754	1.8
163.01881	7.2
167.03378	3.9
167.07036	8.0
167.10692	34.1
170.10870	2.9
181.02942	5.4
185.04492	4.9
185.06021	7.9
185.09595	5.1
185.11754	18.9
185.13570	15.9
186.07639	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	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01013	0.3
55.01883	0.3
55.05521	0.4
56.96541	0.3
62.01620	0.3
67.05512	0.5
68.05029	0.5
69.03407	0.2
69.07070	0.8
70.06597	100.0
71.05002	0.8
71.06929	0.3
71.51847	0.4
71.52204	0.3
72.04535	0.3
79.05495	0.5
80.04987	0.3
80.15705	0.2
81.07061	1.8
83.05019	0.3
84.04514	0.9
84.08155	3.9
85.02913	2.7
86.09715	0.3
88.02253	0.3
89.03924	4.9
93.07043	0.3
95.08638	0.5
97.02914	0.3
97.06551	0.4
98.06064	1.2
98.09689	0.3
103.05469	0.5
107.08625	0.3
108.08932	0.2
109.02909	0.3
109.06491	0.4
109.10170	0.6
112.07635	0.6
112.95759	0.2
114.05557	2.0
115.05479	0.3
117.03391	12.0
121.00800	1.2
121.01620	0.4
122.06051	0.2
123.11711	0.8
126.05541	2.4
126.06464	0.5
126.09161	0.3
126.12793	2.3
127.03945	0.4
130.06551	0.9
130.08792	0.3
135.04424	0.5
138.05550	0.3
139.01849	0.7
140.07072	2.0
140.10641	0.3
144.06610	0.9
144.07738	0.5
145.02855	17.7
146.03273	0.3
151.11122	0.3
158.06017	3.4
158.08105	0.6
163.01823	3.4
168.06651	0.5
168.10210	0.5
168.13875	4.4
178.68036	0.2
181.02890	3.5
186.05589	5.9
186.07669	2.2
186.09256	0.4
186.11324	0.9
186.14911	5.3
186.18501	0.4
187.04077	0.4
187.07642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.15019	1.3
53.03947	2.0
55.01870	4.1
55.05515	11.5
57.03429	4.7
57.07067	6.5
59.05001	3.7
65.03918	2.5
67.05511	61.6
68.31785	1.4
69.03439	9.9
69.06791	1.7
69.07076	16.6
69.59924	1.5
70.06599	7.8
71.01351	6.7
71.04999	78.9
71.06916	2.7
71.10184	2.6
71.10526	2.1
72.08142	3.5
73.06545	2.1
79.05077	1.9
79.05504	21.4
81.03419	4.5
81.07062	76.4
83.04997	13.0
83.08628	5.1
84.04518	4.9
84.08140	6.8
85.02924	8.2
85.06551	100.0
86.09701	3.5
87.04469	1.8
87.05016	1.4
88.02233	11.5
91.05492	44.0
93.07040	20.8
95.04973	5.6
95.08595	11.9
97.06516	6.0
99.04458	3.9
99.08099	3.7
105.06332	2.2
105.07038	42.1
105.23760	1.4
107.08604	43.8
109.02897	3.0
109.06544	8.8
109.10170	66.1
111.08034	3.1
113.02371	2.0
113.06000	4.2
115.05438	3.6
116.06226	1.9
117.07033	3.4
121.10138	3.6
123.04467	1.5
123.08065	6.6
123.11734	16.2
125.09621	3.5
127.03928	4.8
127.07559	3.5
129.07013	3.4
129.09105	2.4
131.04924	4.6
131.08597	11.3
133.10141	91.3
136.24811	1.5
136.67244	1.4
139.11212	3.4
141.07002	4.7
141.09096	1.4
144.05676	6.0
145.10176	5.1
151.11197	48.4
153.85419	1.5
159.04390	2.4
159.08064	8.1
159.11653	7.5
164.89253	1.4
169.04964	1.3
169.06557	1.7
169.12233	23.1
172.05264	2.3
172.08826	2.2
173.00851	3.0
187.03888	10.9
187.06007	1.9
187.07544	20.0
187.11081	9.1
187.12744	2.8
187.14767	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	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
52.08739	0.9
55.05516	9.4
57.03440	2.9
57.07079	5.3
60.01653	0.8
61.04164	0.9
63.40517	0.8
65.03929	2.2
67.05509	53.7
69.03423	4.0
69.07074	11.0
69.24457	3.0
69.24880	5.0
71.04999	70.7
73.34409	1.2
79.05499	12.4
81.03426	2.2
81.07063	45.0
83.04979	7.5
83.08620	3.7
84.04491	3.5
84.08160	1.3
85.02901	2.0
85.06549	100.0
88.02219	5.3
91.05486	36.1
93.07052	15.3
95.04983	2.3
95.08613	9.2
97.06527	4.1
98.91689	1.0
99.04449	1.8
101.06015	1.6
105.07040	41.9
107.08606	35.7
109.03956	1.0
109.06531	6.8
109.10166	65.1
113.06017	2.2
115.05476	2.0
116.96361	0.9
117.07028	1.9
120.78931	0.9
121.10162	1.0
123.08087	3.2
123.11732	11.9
123.92809	0.9
125.09617	2.4
127.07544	1.3
129.06993	1.7
129.53017	1.0
131.04889	1.2
131.08549	5.0
133.10139	89.3
134.10510	1.3
139.11200	2.0
141.07030	4.4
144.05730	1.8
145.10139	7.3
151.11197	51.0
159.08099	3.5
159.11713	3.8
169.06447	1.3
169.12250	21.6
181.80928	0.9
187.03818	2.2
187.07532	13.9
187.11122	3.0
187.13196	2.9
187.14705	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	188.092
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05511	0.8
55.73917	0.4
56.05037	1.1
57.03434	1.2
59.05011	2.5
60.04536	1.0
61.02938	8.0
69.03433	0.8
69.71310	0.8
69.71714	1.3
70.02971	1.8
71.05005	1.1
72.08154	0.5
75.04478	0.9
76.09071	0.3
82.06606	2.8
83.05001	3.9
84.04517	100.0
85.02917	17.1
85.03442	0.6
86.06079	0.4
87.04483	6.1
91.89563	0.4
94.71322	0.3
100.07629	1.1
101.34523	0.4
102.05525	0.3
110.06046	2.4
111.04443	1.1
123.70843	0.3
126.05531	5.5
128.07104	6.0
129.05513	1.9
142.08650	0.5
146.08130	0.5
156.64445	0.4
170.08176	0.9
188.09210	13.9
202.42255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.97042	0.4
53.36605	0.4
55.05518	2.0
56.05037	2.1
56.96564	1.4
57.03431	1.4
58.06601	0.4
59.00824	0.4
59.05009	2.3
59.31898	0.4
60.04528	1.8
61.02933	8.8
67.50035	0.4
69.03439	0.7
70.02962	2.6
71.01366	0.5
71.04990	1.7
72.04517	0.5
72.08177	0.6
75.04478	1.0
82.06584	8.1
83.04996	4.8
83.08598	0.5
83.55473	0.4
84.04510	100.0
84.08122	0.4
85.02914	17.6
86.06051	1.4
87.04469	6.3
88.04012	0.4
95.08605	0.6
96.08096	0.4
96.69994	0.4
98.06080	0.6
100.07624	2.6
101.05962	1.0
105.07050	0.8
110.06073	2.2
111.04462	2.0
126.05518	5.5
128.07095	8.7
129.05467	1.9
133.10132	0.5
142.08672	2.2
146.08131	2.0
146.10486	0.9
160.09691	0.7
170.08194	2.4
171.06604	0.5
188.09207	17.5
188.10582	0.7
188.12810	0.8
188.15092	0.7
189.16422	1.4
195.13515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.96468	0.4
53.08683	0.3
55.37124	0.3
70.89820	1.0
80.51904	0.4
83.05037	0.4
84.04506	2.8
85.02916	0.5
85.57235	0.4
91.05476	3.2
103.05445	0.6
111.81586	0.4
115.05464	4.4
117.05762	1.0
117.07035	4.1
118.06552	59.1
119.06880	0.6
142.06548	4.8
143.07312	9.6
144.04457	0.8
144.08093	24.0
146.06020	100.0
147.06374	1.0
155.06044	0.6
160.07600	1.1
170.06015	8.3
188.07077	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	188.092
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.60552	0.4
53.78876	0.5
55.05503	1.4
56.05056	2.5
57.03441	1.0
58.06606	0.8
59.05011	2.8
60.04526	2.0
61.02936	7.0
63.33724	0.5
67.05510	0.7
69.03438	1.1
69.48909	3.6
70.02961	1.5
70.06590	0.6
70.25246	0.5
71.01398	0.6
71.05008	1.4
72.08167	0.9
74.06063	0.5
74.68966	0.4
75.04491	1.0
81.07042	0.6
82.06587	4.6
83.04991	4.5
84.04516	100.0
85.02917	17.5
85.03432	1.1
85.04869	0.6
86.06064	0.8
87.04482	7.1
93.87376	0.5
96.04482	0.7
98.06047	1.2
100.07620	3.5
101.06032	1.0
102.05549	0.9
105.94296	0.9
110.06059	3.1
111.04502	1.4
126.05530	5.6
128.07091	8.1
128.07948	0.5
129.05505	1.9
142.08665	2.5
142.12331	0.8
146.05991	0.7
146.08163	2.5
170.08209	2.0
173.05980	0.6
188.09253	18.6
188.10481	0.7
189.09225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61306	0.3
58.94015	0.3
61.02910	0.5
71.20560	0.5
71.20890	0.7
72.69877	0.3
77.53692	0.3
78.06642	0.4
78.70850	0.4
79.87068	0.3
82.06573	1.1
84.04510	4.8
85.02917	0.5
88.53284	0.4
91.05479	3.4
100.07650	0.5
103.05472	0.7
114.05545	0.4
115.05457	4.2
117.05752	0.9
117.07018	4.3
118.06544	58.4
119.06877	0.6
128.86395	0.3
132.08080	0.5
142.06534	4.7
142.08636	0.4
143.07307	10.1
144.04422	1.0
144.08086	23.1
145.06490	0.5
146.06012	100.0
147.06355	1.0
155.06058	0.7
160.07568	1.1
170.06018	8.4
188.07071	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	187.1332
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03949	1.9
53.48185	1.2
55.05509	4.1
57.03441	1.3
57.07085	1.9
59.05012	3.3
62.35376	1.0
65.10662	1.2
65.22025	1.2
67.05502	5.5
69.03474	1.5
69.07081	17.6
70.06604	2.6
71.02013	2.0
71.04608	1.3
71.05006	25.9
71.06935	1.7
79.05503	16.5
81.07071	100.0
83.04993	4.3
84.08149	1.8
87.08134	1.5
89.06042	1.6
91.05471	2.5
93.07059	5.4
95.04999	1.3
95.08623	3.7
97.06532	6.4
99.08113	4.6
101.06016	1.4
105.07078	1.9
107.08611	15.0
109.06562	3.8
109.10175	19.3
111.08106	2.6
111.11726	7.3
121.10168	2.3
123.08092	2.1
123.11732	19.6
127.03967	1.5
127.07585	1.9
129.10268	1.5
133.10138	4.3
138.39255	1.2
139.11223	9.5
151.11201	15.1
151.19435	1.0
155.03458	1.6
157.12265	3.0
162.29518	1.1
169.12241	7.0
177.04234	1.1
179.85419	1.1
187.03920	1.5
187.07634	2.4
187.11409	1.3
187.13315	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05111	0.9
52.56491	0.9
57.03436	1.9
60.66002	0.8
61.02926	2.0
69.03430	4.6
70.30235	1.6
73.02956	1.7
75.16315	0.9
82.99850	8.4
85.02899	4.0
86.09708	1.3
94.02636	1.2
97.02886	7.6
98.97591	1.5
100.02650	1.6
100.52699	0.9
101.00888	62.8
102.86465	0.8
108.28751	0.8
111.00388	0.9
113.00878	2.2
115.02457	2.0
115.03194	1.6
119.01932	100.0
120.02052	1.4
124.02460	5.2
127.02422	0.9
131.01917	1.5
133.03484	1.8
137.02971	16.7
138.03404	3.0
142.03514	30.4
143.01910	6.6
143.03639	1.2
145.03458	3.8
147.03990	1.1
155.01869	2.1
157.03493	3.4
160.04581	3.9
161.02979	27.2
161.04353	1.5
173.02991	1.4
175.05240	1.0
179.04022	15.0
180.37956	0.8
184.04526	2.5
184.05879	1.9
184.07394	1.9
184.09798	0.8
185.02995	2.7
191.03903	1.0
195.03635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94365	0.3
55.01857	0.4
55.05508	2.9
56.05040	0.9
56.56266	0.3
56.59616	0.3
56.96566	0.6
61.78202	0.3
67.05500	1.0
68.05029	0.3
69.03445	0.4
69.07082	0.5
70.06589	1.3
71.05006	0.7
71.14493	0.6
72.06636	0.3
72.08159	0.6
73.06564	3.2
79.05502	0.6
81.03406	0.3
81.07072	0.8
83.04994	0.7
84.08150	28.6
85.02911	0.9
86.09703	0.6
87.04470	0.6
89.52736	0.4
91.05480	0.3
93.07066	0.6
95.04976	1.0
95.08627	0.8
96.05317	0.7
96.08144	0.4
97.06513	0.7
98.06055	0.3
98.20905	0.3
98.97600	0.5
99.04507	0.4
101.00890	2.5
101.06010	0.4
101.95043	4.9
106.06580	0.4
110.06062	0.8
110.09695	0.6
112.07645	0.7
114.05543	0.9
119.01932	7.8
119.96084	1.9
121.10155	0.9
122.10499	0.4
124.04768	0.6
124.07634	1.4
125.00026	0.5
125.09663	0.4
126.09174	0.5
127.03943	0.4
137.02948	2.0
137.97115	1.3
138.05515	1.0
138.09132	1.7
138.12752	1.0
139.07634	0.4
139.11227	0.4
142.03505	2.0
145.03375	0.3
147.04498	0.3
156.13850	100.0
157.14182	0.4
160.04596	0.4
161.02991	1.1
166.04979	0.5
166.08687	1.0
179.04039	1.2
184.07368	0.8
184.09796	5.0
184.13341	53.0
185.13660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52279	0.4
69.96973	1.5
72.92621	0.3
82.99847	6.8
87.85108	0.3
90.29385	0.4
101.00887	60.2
102.00995	1.1
111.00413	0.5
119.01926	100.0
120.01967	1.6
121.02385	0.4
124.02452	5.0
137.02960	13.1
142.03505	25.6
143.01932	1.3
143.03677	1.1
153.41576	0.4
160.04575	3.5
161.02966	13.4
161.04326	0.9
162.03094	0.5
179.04013	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	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02174	0.4
66.37798	0.4
67.51059	0.3
69.54405	2.5
73.02859	0.4
82.01462	0.4
82.99852	7.8
85.23215	0.4
100.02480	0.5
101.00892	58.8
102.00964	0.8
119.01934	100.0
120.02021	1.8
124.02468	4.9
135.88885	0.4
137.02177	0.3
137.02974	16.1
142.03516	28.7
143.01909	2.4
143.03615	1.9
156.03368	0.4
158.74722	0.4
160.04591	3.7
161.02971	18.7
162.03117	0.5
162.67899	0.4
179.04025	13.0
179.05591	0.6
184.04593	0.6
190.17323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1542
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
51.50188	0.6
55.01865	0.9
55.05515	4.8
57.03423	0.7
57.07076	2.9
58.02969	22.4
58.92747	0.4
61.09700	0.4
67.05514	14.2
69.03442	0.5
69.07075	48.8
70.06589	1.4
70.96198	1.1
71.04993	0.4
71.08581	0.5
72.08139	0.9
74.06081	0.8
79.05497	3.9
81.03375	0.5
81.07064	15.1
83.04974	1.8
83.07362	0.7
83.08630	6.0
84.08157	6.5
85.06539	0.6
86.06062	0.9
88.77012	0.4
91.05474	3.0
93.07054	6.8
95.04967	1.7
95.08617	4.8
97.06533	2.4
98.06069	1.5
98.09675	1.6
98.97598	3.7
98.99378	0.5
99.97950	2.3
100.07622	5.1
101.72453	0.5
105.06391	0.8
105.07043	9.3
107.08602	15.2
109.06515	1.4
109.10166	35.4
112.07603	2.1
114.09177	12.7
116.98628	1.9
117.99010	1.2
119.08585	0.7
121.10185	1.6
123.08024	0.6
123.11717	5.9
124.11214	0.8
126.09169	12.6
126.12796	1.1
128.10701	0.6
133.10144	23.7
135.11710	15.1
138.12791	15.9
140.10703	0.8
140.14355	1.2
147.11707	3.0
151.11194	9.9
153.12758	11.9
154.08649	8.9
154.15912	1.1
164.14383	2.0
165.12769	2.6
166.15880	0.5
182.08162	1.6
182.15422	100.0
183.15721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22735	0.3
53.46560	0.3
54.29471	0.3
61.67682	0.3
71.15187	0.5
82.01453	0.6
82.99860	7.4
100.02496	1.2
100.97188	0.4
101.00903	60.2
118.03565	1.2
119.01945	100.0
120.02004	0.3
124.02483	11.4
137.02985	13.5
142.03529	59.4
143.01936	0.6
143.03627	0.7
160.04587	19.0
161.02985	12.3
165.05121	0.7
178.05659	2.4
179.04048	9.3
179.05609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01610	0.4
51.02382	1.2
53.03952	15.6
54.39044	0.4
55.01878	3.8
55.05509	0.8
57.03444	0.6
64.94015	0.4
65.03950	4.5
67.05510	8.6
69.03424	0.9
69.07076	1.4
71.05004	0.8
71.24349	0.6
77.03942	3.7
79.05490	1.2
80.02616	0.5
81.03419	2.4
81.07072	3.6
83.05000	0.6
83.08624	0.8
88.50356	0.4
92.20488	0.4
93.03413	1.2
93.07059	1.4
95.04975	95.6
95.08602	3.7
97.02902	0.4
97.06535	1.3
98.98495	1.2
99.04461	1.0
105.03399	1.7
105.04516	7.7
105.07036	1.0
107.08593	1.4
109.02879	0.4
109.06558	0.5
109.10159	3.3
110.03674	0.7
110.09673	0.8
111.04451	0.6
114.29840	0.4
119.08617	0.9
121.04043	0.9
121.10143	1.1
123.04437	100.0
123.08063	1.8
123.11710	2.0
124.04769	0.8
125.02361	4.3
127.07548	0.8
137.07893	0.5
137.09659	1.3
139.07507	0.5
139.11163	0.4
140.04698	34.4
140.10744	1.3
147.11705	1.2
155.07047	30.9
165.05502	0.4
165.07512	0.4
165.09132	1.0
165.12791	1.1
166.08658	2.2
167.79051	0.5
183.06563	9.4
183.07994	0.6
183.10207	0.6
183.11607	0.6
183.13797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0656
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02389	0.9
51.42043	0.5
53.03958	15.1
53.10366	0.5
54.62216	0.5
55.01883	4.4
55.05516	0.9
65.03960	3.9
65.82967	0.4
66.32445	0.5
66.32912	0.4
67.05515	9.8
69.03429	1.0
69.07063	0.6
69.40414	3.6
73.65454	0.4
77.03939	3.8
79.05505	1.8
81.03435	2.2
81.07052	2.0
87.95409	0.5
91.05493	2.2
93.07056	1.7
95.04984	95.6
95.08611	5.1
96.08144	0.7
97.02896	1.2
97.06551	1.0
98.98486	1.2
99.04471	1.8
105.03410	1.7
105.04532	7.6
105.07060	0.7
107.08595	0.8
108.02071	0.7
109.06526	1.1
109.10165	1.0
111.04431	0.8
119.08594	2.5
121.03996	0.9
121.10180	0.9
123.04448	100.0
123.08070	2.1
124.07605	9.6
125.02378	3.6
125.06039	0.7
125.09640	0.8
127.07508	0.7
133.02821	0.7
137.05969	1.5
137.09612	1.5
138.09158	0.8
139.07559	1.8
140.04707	34.6
141.05518	0.6
147.08044	0.9
155.07056	29.2
155.08966	5.0
155.10213	0.8
160.12410	0.5
165.01764	0.6
165.05440	1.1
165.09148	1.8
165.12729	0.6
166.08647	2.3
168.00562	0.9
183.02963	1.7
183.06584	9.7
183.08153	0.9
183.10022	1.2
183.11472	1.1
187.91750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03946	2.8
55.01865	2.5
55.05514	17.5
57.03435	3.5
57.07074	2.3
65.03939	1.3
67.05507	29.3
67.82732	0.6
69.03435	2.0
69.07070	21.6
69.61966	4.1
69.78207	0.7
71.04996	13.2
73.06609	0.7
74.06702	0.6
79.05495	15.7
81.07058	100.0
83.04989	6.1
83.08624	11.5
85.02898	1.6
85.06548	11.7
89.38956	0.6
91.05483	15.1
93.07045	14.4
95.04961	7.1
95.08611	23.2
97.06528	5.7
98.98464	3.5
99.04459	1.7
99.08109	2.4
101.06021	0.8
101.95082	1.0
105.03402	3.2
105.04544	1.8
105.07034	27.8
107.08591	12.4
109.06529	8.6
109.10171	2.2
111.08088	2.7
113.06025	2.8
115.05463	0.9
116.63409	0.7
117.07024	1.7
119.07720	0.6
119.08585	27.5
121.10148	28.3
123.04431	6.8
123.08074	6.9
123.11709	44.5
127.01614	1.0
127.07566	4.1
129.07033	2.8
137.05997	1.4
137.09610	2.1
137.13269	2.7
140.04686	2.1
141.06995	9.3
141.09232	0.9
145.10208	0.8
147.11696	55.5
155.07109	1.3
155.08614	3.7
165.05533	0.7
165.12767	24.7
168.00581	2.5
168.09444	0.8
171.33185	0.6
183.02940	2.3
183.06560	1.1
183.08022	0.9
183.11688	6.0
183.13800	3.6
186.01602	1.1
187.19937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03923	0.4
55.01883	0.7
55.05500	1.7
56.96561	1.3
57.07071	1.6
59.05012	2.7
64.96342	0.4
67.05499	1.7
69.03419	1.8
69.07058	2.1
73.02912	0.5
79.05493	4.3
81.07062	6.3
82.36219	0.4
83.04982	1.3
91.05482	2.3
93.07049	12.7
95.04988	0.6
95.08614	10.1
97.06521	2.1
98.21631	0.9
98.97591	21.5
105.07021	2.0
107.04945	1.0
107.08603	24.5
109.06516	0.6
109.10175	1.5
111.04462	1.1
111.08068	1.1
116.98638	7.5
117.06984	0.6
119.08589	3.2
121.06520	3.5
121.10152	13.4
123.08112	2.4
125.06024	3.5
130.07780	0.6
134.99680	1.5
135.08049	0.6
135.11702	32.5
137.13229	1.1
139.07555	5.8
140.00192	0.8
145.10138	8.0
153.12729	1.5
154.08659	1.4
158.01245	0.8
163.11197	24.0
181.12244	100.0
182.12556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03953	1.2
55.01891	1.0
55.05523	2.9
57.03431	1.0
57.07077	31.2
59.05013	2.3
67.05515	1.0
69.03443	0.9
69.07079	4.2
69.48748	5.2
71.67464	0.7
77.14945	0.7
79.05499	9.6
79.05922	1.0
81.03419	7.9
81.07056	4.5
83.04986	60.9
83.63136	0.7
83.85594	0.6
91.05467	1.7
92.37785	0.6
93.07047	5.6
95.04980	19.9
95.08591	1.1
96.15237	0.7
96.35435	0.7
97.06534	30.7
98.97618	2.2
105.07020	4.0
107.04961	3.0
107.08599	9.5
109.06520	0.9
115.05489	0.7
116.22198	0.7
116.98637	1.5
117.07011	2.1
119.08620	3.2
121.06552	2.1
121.10145	10.8
125.05997	91.0
130.07814	1.6
135.11711	4.4
135.12587	0.7
143.08649	0.7
145.10126	9.4
154.08621	2.0
163.11186	100.0
164.11458	1.5
181.06085	2.4
181.12236	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03943	2.0
55.01874	0.9
55.05500	3.5
58.02963	1.7
65.03943	2.6
67.05505	13.4
68.01420	0.9
68.05019	1.3
69.03435	1.1
69.07068	4.6
70.02958	0.8
70.06571	1.1
71.04977	0.8
71.15199	1.7
76.89632	0.7
79.05496	21.4
80.05022	2.5
80.05833	0.9
81.03405	1.2
81.06590	1.4
81.07059	29.1
81.17474	0.8
82.02917	1.2
82.06581	1.4
83.04977	1.9
83.07352	3.1
83.08621	2.4
84.08140	1.8
86.02426	3.2
91.05477	4.8
92.05839	1.1
93.05799	4.5
93.07068	0.9
94.06547	2.2
94.07344	1.1
95.05003	4.1
96.04486	1.6
96.08144	1.1
96.08966	1.0
97.05302	1.0
97.06555	6.3
98.06068	3.3
98.09679	2.3
98.97610	4.8
99.97913	2.3
101.80810	0.8
107.07330	2.7
108.04498	1.1
108.08126	43.9
108.08862	1.7
109.06528	4.7
109.10164	0.8
110.06055	3.8
111.04440	1.1
116.98635	2.7
117.98981	1.0
118.06562	1.8
121.05264	2.4
122.06017	3.6
122.06836	1.9
123.04427	1.6
124.07594	1.0
125.06006	23.9
126.05519	25.7
126.09164	18.2
134.06009	2.0
136.07584	71.7
137.05934	1.7
138.05510	3.2
138.09140	1.1
140.06970	1.4
140.10669	2.2
141.05508	1.0
152.07016	1.1
153.05440	1.6
153.07870	2.2
154.08638	51.5
164.07074	74.5
180.66234	0.7
182.08134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03946	1.2
55.01680	0.3
55.01878	3.9
55.05497	1.7
56.96571	2.0
57.03436	0.7
57.07068	1.1
65.03957	3.2
67.05510	3.2
68.99805	0.6
69.03434	2.2
69.07088	2.4
71.04978	1.4
71.52054	0.9
71.95261	0.6
78.04702	1.2
79.05506	5.4
80.06293	0.6
81.03418	1.6
81.07068	4.8
82.04195	1.1
82.19231	0.4
83.04978	2.8
83.08612	1.1
85.02893	1.0
86.00805	0.4
89.03925	2.7
90.04686	0.8
91.05490	7.1
92.06263	0.7
93.03398	1.2
93.06497	0.5
93.07059	8.0
95.04980	4.5
95.08619	3.5
97.02876	1.1
97.06543	2.1
97.10155	0.6
98.97594	30.2
103.05464	1.1
105.03387	0.9
105.04559	0.6
105.07030	2.6
105.61747	0.4
106.04192	1.1
107.04950	4.2
107.08603	7.4
108.02078	0.7
108.05772	0.9
108.08117	0.5
109.06528	3.0
109.10136	0.8
110.03661	1.0
111.04440	1.1
111.08098	0.9
114.09455	0.4
116.98627	17.1
117.03407	2.3
118.04165	0.9
118.70573	0.5
119.04937	1.0
119.08592	1.2
120.02108	0.5
120.05719	1.1
121.02847	0.6
121.06538	5.4
121.10155	8.1
122.03679	0.6
123.04446	3.8
123.08085	2.9
123.11694	1.1
125.06010	3.4
125.09611	0.6
134.03645	0.4
134.99670	5.9
135.04428	6.2
135.08051	2.4
135.11678	3.6
136.05228	1.3
136.07567	0.7
137.05994	12.5
137.09564	0.8
138.03140	1.2
138.06779	4.1
139.03944	0.5
139.07549	1.0
139.11186	4.6
140.00255	1.0
142.02655	0.5
145.02859	3.2
145.10117	1.5
148.05202	33.2
149.02341	0.9
149.06020	3.0
151.03915	4.9
151.07494	0.7
153.00787	0.7
153.05487	1.6
153.09163	0.7
154.08621	2.5
158.01250	1.7
158.09677	0.4
163.03923	15.9
163.07591	1.2
163.09511	1.6
163.11183	5.0
163.14841	4.4
164.07196	0.5
164.10762	1.2
165.05515	0.7
166.06273	1.7
171.06404	0.6
181.05095	11.8
181.08609	100.0
181.15845	1.3
182.09119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.66268	1.1
53.03936	2.9
54.13930	0.9
55.01859	2.1
55.05511	4.9
56.96566	1.5
57.03429	2.8
57.07081	27.5
59.04996	1.7
65.03933	2.1
67.05496	2.6
69.03429	2.2
69.07076	5.0
69.24322	1.4
69.24726	8.6
71.04973	1.5
79.05502	13.1
81.03422	6.2
81.07069	7.0
83.04987	51.7
83.08603	1.5
91.05472	6.1
93.06561	1.2
93.07051	12.9
95.04977	18.1
95.08600	2.4
97.06535	28.2
97.10157	1.3
98.20940	4.0
98.97591	34.1
99.04449	1.2
105.07034	5.1
107.04951	5.6
107.06068	1.1
107.08604	12.2
109.06509	2.4
110.98645	1.2
111.04449	1.1
112.55458	1.0
116.98622	15.3
117.06976	1.6
119.08560	4.6
121.06503	6.6
121.10159	16.7
123.04442	1.3
123.08059	1.4
125.06000	93.7
130.07747	1.5
134.99657	2.4
135.04416	2.5
135.08054	1.7
135.11690	6.8
137.05966	3.4
138.06721	1.4
139.09596	1.0
140.00201	3.1
145.10118	10.6
148.04141	1.5
148.05211	12.6
149.02345	13.7
149.06009	1.9
151.03886	1.5
154.08646	2.4
161.27324	1.0
163.03934	12.3
163.11188	100.0
163.14841	2.7
164.11531	1.7
181.04997	4.2
181.08632	37.6
181.12233	43.5
199.22060	1.2
204.01422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02382	0.5
53.03938	0.5
55.01862	1.1
67.05493	0.9
68.99774	0.3
69.03424	0.4
69.07082	0.3
69.40364	0.5
69.40771	1.4
73.09895	0.2
77.03925	1.0
79.05508	1.3
81.03412	0.6
81.07046	1.0
83.05012	0.3
84.37678	0.2
89.03934	1.3
90.63972	0.3
91.05486	3.2
93.07039	1.1
95.04997	1.7
95.08602	1.0
95.26198	0.3
95.66615	0.3
98.21059	1.0
100.44094	0.3
102.04012	0.4
105.03396	2.6
105.07042	2.7
107.04983	0.6
107.08598	0.9
109.02854	0.7
109.06496	0.4
109.10153	0.4
113.06371	0.2
117.03379	0.8
117.07002	0.3
119.04944	1.1
119.08585	2.7
121.06524	0.5
121.10145	0.9
122.04113	0.3
123.04440	30.9
123.08074	1.1
133.02866	23.6
133.06490	0.8
133.10127	2.0
135.04398	3.5
135.08080	0.3
135.11714	0.3
137.05997	0.7
137.09624	0.6
147.03375	0.4
147.04416	2.9
151.03911	7.8
151.07561	0.3
161.06000	0.9
161.09612	1.0
161.13290	1.7
162.09135	0.4
179.03409	100.0
179.06683	2.7
179.10541	1.6
179.14258	1.3
180.03745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05503	0.9
56.96569	5.3
57.03445	3.4
57.07065	1.0
58.99857	1.2
59.04990	0.7
60.00657	0.5
60.04513	1.6
61.02925	1.2
66.91880	0.6
67.05504	1.0
69.03441	4.5
69.07051	0.7
69.21670	4.8
70.06593	3.8
70.98129	0.9
70.99881	0.5
71.04979	1.7
72.08157	0.9
73.02926	3.5
77.00890	0.4
79.05488	1.7
81.03426	3.3
81.07066	0.8
82.01442	2.7
82.06562	0.7
82.99853	2.3
83.01371	0.5
84.04497	1.3
84.08147	6.1
85.01405	0.7
85.02912	3.8
86.03693	0.8
86.09709	1.2
86.89184	0.5
87.01071	0.6
87.04458	0.8
88.99131	0.7
91.05494	7.3
95.04987	1.2
95.08625	0.8
96.01557	0.8
97.02889	4.3
97.06538	1.0
97.96793	1.4
97.99185	1.1
98.07169	1.1
98.97590	4.2
99.04460	0.7
100.00126	1.1
100.02495	9.1
100.07634	0.7
101.00889	33.5
102.06841	0.6
103.00608	0.6
103.02426	1.8
104.86900	0.4
105.02153	0.6
105.07024	1.2
107.08609	0.4
108.01563	0.5
108.04454	0.5
109.02913	1.8
110.01267	1.5
110.07173	1.4
110.97581	1.6
111.04440	0.5
113.00909	1.2
113.08284	0.7
115.00660	1.7
115.02457	6.4
115.03193	0.8
116.07124	0.6
116.08440	6.2
116.53756	0.9
116.58569	0.5
116.98645	1.1
117.02087	2.1
118.01165	1.8
118.03519	3.6
119.01930	100.0
119.04942	14.9
120.02091	2.1
121.01672	1.2
121.03335	0.6
121.52087	1.4
123.01733	0.8
124.59760	0.9
126.02618	1.6
127.02447	0.7
128.02338	0.5
128.52861	1.4
128.98598	0.8
129.04013	0.9
130.04103	1.7
130.08620	0.8
130.10294	0.6
130.52585	1.0
131.00204	0.7
131.01935	4.0
131.03709	0.8
133.01689	5.4
133.03479	16.3
133.06505	1.0
134.06064	1.4
135.03127	1.4
137.02963	26.4
137.05933	1.1
137.53406	1.7
138.01025	0.7
138.04068	1.1
139.02461	1.0
139.53191	0.6
141.02737	4.3
142.03508	1.9
143.01846	3.1
145.03503	1.7
146.03502	0.5
146.53923	1.1
147.03311	0.8
147.04401	20.2
148.05080	1.6
151.02716	1.1
151.04584	2.9
151.07533	0.8
155.01909	2.1
156.02068	4.9
156.03278	2.0
156.05058	10.0
156.07709	0.6
157.01703	0.9
157.03526	3.9
161.02972	31.6
161.05927	1.0
161.07179	0.8
162.03059	0.7
162.09203	1.4
167.05595	0.9
168.06357	0.9
169.03448	0.9
171.05070	1.0
173.03004	1.7
174.03114	4.1
174.06210	1.4
175.02928	0.7
175.04633	1.7
179.02278	1.4
179.04037	32.9
179.06985	3.6
180.10330	0.7
184.04620	0.7
185.03072	1.1
197.03075	1.5
197.06587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.2
55.01867	1.8
55.05501	3.4
56.49938	0.9
57.07082	36.6
59.04991	2.1
59.06656	1.0
59.35057	0.9
60.34270	1.0
67.04907	0.9
67.05486	1.8
69.07056	4.2
79.05508	8.5
81.03439	7.7
81.07064	5.4
83.04989	59.8
87.70594	0.9
91.05487	2.6
93.07052	7.3
95.04975	19.9
97.06537	34.0
98.97561	1.1
105.07022	4.1
107.04958	3.4
107.08614	8.7
119.08594	2.5
121.06544	2.0
121.10151	10.2
122.44672	1.0
123.08035	1.7
125.06004	100.0
125.84711	0.9
130.07767	1.7
130.91925	1.0
135.11687	4.2
145.10143	10.7
154.08620	1.7
163.11192	96.4
176.90631	1.0
181.06062	2.4
181.08591	1.4
181.12239	42.7
197.00403	1.0
202.32744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.19534	0.2
50.95550	0.2
53.86187	0.2
55.01874	0.5
55.05500	0.5
56.96551	0.3
64.87033	0.2
67.01850	0.8
67.05494	1.1
68.99792	2.3
69.07062	0.4
71.01344	0.4
71.05003	0.4
71.51664	0.3
71.52077	0.4
72.13959	0.3
79.05495	1.1
81.03415	0.7
81.07067	1.9
91.01799	0.4
91.05498	2.2
93.07050	1.9
95.04981	1.4
95.08622	1.3
97.06493	0.3
98.97569	0.3
98.98477	0.3
103.05475	0.3
105.03377	0.7
105.07038	3.0
107.08610	2.2
108.08924	0.3
109.06532	0.6
109.10132	1.1
111.04429	1.6
117.03341	0.2
119.04958	1.9
119.08575	1.5
121.06495	0.6
121.10140	1.0
122.10490	0.5
123.04427	1.3
123.08063	0.5
123.11704	0.5
127.03928	0.4
133.02850	1.0
133.06535	0.5
133.10146	4.1
135.11697	0.6
137.02341	1.0
137.05992	0.6
137.09616	0.4
139.55618	0.2
147.03375	0.4
147.04422	3.1
151.03908	0.5
151.07494	0.6
151.11105	0.3
155.03398	1.4
161.02356	0.8
161.05984	0.7
161.09589	1.9
161.13266	0.8
178.16696	0.3
179.03406	100.0
179.10649	5.2
179.14209	1.4
180.03748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
53.03949	2.6
55.01872	1.8
55.05531	1.5
56.96566	7.9
57.03445	0.9
57.07072	0.9
65.03941	3.7
67.05494	3.1
69.03430	1.3
69.07077	1.6
70.06621	0.7
70.44093	1.9
71.04984	0.9
71.63515	0.6
71.95277	1.6
75.04489	0.6
76.07610	0.5
77.03940	0.8
78.00990	0.5
78.04701	0.8
79.05508	5.0
81.03442	1.8
81.07080	2.1
83.04979	2.0
85.02928	1.6
89.03924	2.3
91.04908	1.1
91.05489	21.0
93.03426	1.1
93.07040	7.1
95.04984	10.2
95.08617	1.4
97.02903	1.7
97.06541	2.2
98.20887	0.7
98.97592	82.8
103.05475	3.0
104.02081	0.7
105.03416	1.1
105.04537	1.3
105.07040	3.0
106.04166	2.8
107.04971	5.1
107.08578	3.9
108.05754	1.3
109.06507	2.1
111.04467	1.5
111.48078	0.6
113.02562	4.9
113.07990	0.9
116.98632	45.9
117.03396	1.8
117.07010	0.9
119.04951	2.0
119.08588	1.2
120.05738	1.1
121.06514	100.0
121.10165	4.3
122.03090	4.2
122.06061	0.9
122.06885	0.8
123.04450	4.8
123.08108	2.1
124.05197	1.4
124.53382	1.6
125.06032	3.9
126.09186	0.7
131.03596	0.8
132.05698	0.6
133.06494	0.9
133.53914	0.8
134.99673	16.5
135.02075	1.4
135.04424	8.4
135.06377	0.8
135.08049	4.7
135.11694	1.5
136.01544	0.6
136.07574	1.3
137.05991	11.6
138.06769	17.1
139.03912	1.2
139.07555	7.6
140.00180	3.0
144.02571	1.2
145.02858	4.3
145.10164	1.1
148.05209	1.0
149.05992	33.6
150.06744	3.1
151.07553	4.8
152.08347	0.9
153.00787	1.3
153.03047	0.7
153.05498	1.8
153.09120	2.0
154.08614	4.7
158.01266	2.7
163.03911	18.6
163.07556	2.3
163.09505	2.9
163.11133	3.8
164.07086	0.8
166.06285	4.5
181.05058	7.4
181.06456	1.1
181.08588	12.9
181.10207	1.6
181.12009	3.3
182.08141	1.4
196.90923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.87555	1.0
53.03956	6.3
55.01673	0.8
55.01878	9.6
55.05516	27.9
56.96564	2.6
57.03430	3.0
57.07080	1.7
59.04992	1.1
61.48427	0.8
65.03936	4.2
67.05510	100.0
68.15117	0.8
69.03421	2.5
69.07071	16.4
69.85083	4.3
71.04986	3.1
77.03909	1.1
77.73238	0.9
79.05499	62.8
81.03423	18.9
81.07063	91.6
83.04985	32.0
83.08630	12.7
85.06538	3.2
91.05486	48.2
93.07049	43.0
93.07645	1.7
95.04972	9.6
95.08614	73.3
97.06539	33.5
97.10164	3.5
99.08102	2.8
105.04532	1.6
105.07038	28.8
107.08598	11.5
108.09251	1.0
109.06542	7.8
109.10168	13.9
110.01266	1.0
111.08091	9.1
113.09644	9.7
113.10822	1.1
113.56431	1.0
117.07011	1.4
119.04946	1.4
119.08591	33.7
121.10164	7.4
123.08080	4.0
123.11658	1.6
131.02745	0.9
131.08548	1.3
133.02893	1.4
133.10139	25.3
133.60664	1.1
135.11676	7.4
136.02168	1.0
137.05984	1.5
137.09637	1.9
137.53343	2.2
147.04453	4.7
159.11717	1.8
161.05933	2.4
161.09554	1.1
161.13271	19.8
162.09171	1.1
163.04060	1.3
164.04135	1.3
170.77859	0.9
179.03409	7.8
179.06345	7.2
179.08345	1.1
179.14320	71.2
180.10155	1.1
180.14720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	2.0
55.01860	3.7
55.05515	6.3
56.96554	1.7
57.03439	8.0
57.07078	1.4
63.69013	0.8
65.03936	2.6
67.05507	32.3
68.22215	0.8
69.03407	2.2
69.07071	8.4
69.27337	3.1
69.27771	3.9
71.04990	4.1
75.77054	0.8
79.05499	23.0
79.72880	0.9
81.07063	80.3
82.95004	1.0
83.04979	5.4
83.08625	2.8
85.06565	6.7
91.05486	25.2
93.07048	35.4
95.04963	3.9
95.08611	76.4
97.06528	13.4
97.96823	1.0
99.08100	7.0
105.07036	31.3
107.08601	18.0
108.05779	1.0
109.06518	3.9
109.10178	5.9
111.08090	4.2
117.02069	1.0
117.06999	1.4
119.04926	4.1
119.08588	48.8
121.10152	13.3
123.04417	1.5
123.08089	7.2
123.11711	1.1
133.06514	1.5
133.10138	32.6
135.11702	30.5
137.09607	2.4
137.13254	1.5
137.53368	1.4
146.94142	1.0
147.04413	5.3
151.11128	1.8
161.06001	4.0
161.13266	92.9
162.09163	1.2
179.03419	8.1
179.06844	3.0
179.10889	2.0
179.14319	100.0
180.14642	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63701	0.5
53.03940	0.8
55.05513	3.8
57.07080	1.0
62.06096	0.9
63.10976	0.5
67.05514	2.5
67.62931	0.4
69.07069	8.7
69.28787	4.3
70.61635	0.4
73.78864	0.5
77.03904	0.5
79.05498	2.8
81.07056	19.7
81.07535	1.1
83.08620	1.6
91.05483	11.6
93.07039	5.6
95.08611	13.6
98.98468	2.6
103.05481	0.5
105.07035	23.7
107.08598	6.8
111.05369	0.4
115.05469	1.0
117.07016	2.7
119.04941	1.6
119.08586	56.8
121.10138	1.4
127.47290	0.5
131.08571	3.4
132.05693	0.7
133.10136	100.0
134.10483	0.9
145.10167	3.4
146.10905	1.4
147.04414	1.3
147.08157	0.7
147.11691	10.0
160.05190	1.2
160.12451	2.3
173.13332	1.2
175.07529	3.1
175.11264	1.8
175.14832	74.9
175.18871	8.1
176.15157	1.4
182.26668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04455	0.9
69.85776	3.3
98.20810	1.1
101.22268	0.9
132.02127	100.0
133.02492	1.3
142.90762	0.8
176.01109	29.4
176.12862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03931	1.4
55.01870	1.0
55.05521	2.0
63.02369	1.3
65.03929	1.1
67.05516	1.8
69.03444	1.1
69.07071	2.9
77.03898	0.7
78.04717	2.7
79.05505	4.8
81.03440	1.2
81.07074	4.9
83.04966	1.7
83.08627	2.4
83.63140	0.6
89.03925	38.4
90.52686	0.6
91.05479	9.3
93.07047	10.5
95.04365	0.7
95.04961	1.7
95.08624	6.3
97.10166	0.8
98.20691	0.9
98.98456	5.5
103.05460	3.0
105.07040	5.5
106.00558	0.6
106.04189	5.8
107.04982	1.1
107.08606	11.1
109.06502	0.6
109.10180	1.7
115.05410	0.7
117.03389	69.3
117.07043	2.0
119.08608	2.0
121.02889	0.9
121.06520	5.5
121.10157	16.2
129.07054	0.9
131.04956	1.5
131.08585	3.7
133.06551	0.8
133.10139	2.8
134.03644	10.6
135.04407	5.7
135.08049	1.1
135.11688	3.9
145.02853	100.0
146.03238	1.1
146.07231	0.7
149.02338	2.4
149.05992	27.4
149.09534	1.0
149.13281	5.2
158.06038	1.5
159.04437	1.0
159.08037	1.3
159.11705	4.9
162.03152	2.4
163.03905	2.6
166.98627	0.6
177.05481	47.9
177.08907	4.0
177.12753	7.7
177.16434	9.0
186.05525	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	177.1277
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03944	6.6
55.01878	4.5
55.05280	1.8
55.05524	32.8
57.03440	8.6
57.07085	4.9
59.05006	2.0
60.95859	2.5
65.03941	4.6
67.05521	20.8
69.03437	8.3
69.07081	44.8
70.66756	3.0
70.67081	2.8
71.05015	11.5
78.04690	3.0
79.05508	66.5
81.03413	3.0
81.07070	55.0
83.04993	4.9
83.08636	11.3
85.06542	2.4
86.11045	1.7
89.03934	30.5
91.05494	50.3
93.07059	100.0
95.04999	13.2
95.08624	28.8
97.06541	3.1
98.98484	16.2
103.05469	7.3
105.04540	2.5
105.07048	34.5
106.04191	8.4
107.04985	14.0
107.08615	73.5
109.06532	12.4
109.10181	4.6
112.55478	2.1
115.05480	5.8
116.06257	2.2
117.03401	51.0
117.07035	33.6
119.06119	2.3
119.08604	21.6
121.06531	28.7
121.10162	40.0
122.07384	2.4
123.08070	2.7
129.07021	7.4
130.07802	6.6
131.04999	2.9
131.08588	41.3
133.06526	3.9
133.10161	13.9
134.03667	6.5
135.04459	4.5
135.08098	11.4
135.11702	12.9
144.09366	8.2
145.02875	82.7
146.07234	2.6
147.04396	2.2
149.02359	6.9
149.06012	26.4
149.09634	4.5
149.13292	16.0
149.97163	1.8
158.06108	1.9
159.08029	5.1
159.11737	31.6
162.03230	2.4
163.03978	3.2
177.05486	53.2
177.09055	10.5
177.12776	47.4
177.16435	18.5
178.12288	2.4
186.05490	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	178.1229
Annotation	Ethcathinone
Peak:m/z	Relative Intensity
55.01861	0.3
56.96555	0.5
65.96146	0.3
70.34540	0.3
70.51332	0.7
70.51688	0.4
79.05499	0.4
80.05029	0.5
88.02217	0.7
89.03919	0.6
90.04266	1.1
91.05490	0.9
92.05010	0.7
93.07060	0.4
95.08657	0.3
98.97604	0.6
105.07040	0.7
107.08584	0.6
111.04482	0.4
117.03365	0.7
117.07030	1.1
118.03709	2.1
118.06559	5.3
118.07369	0.5
118.96798	1.1
119.04939	0.5
119.07327	6.7
130.52612	0.4
132.05319	0.5
132.08095	1.0
134.09665	43.4
135.04041	0.4
145.02899	0.4
146.03195	2.9
147.04370	0.3
150.06380	0.9
150.09152	0.4
154.96547	0.3
160.03990	1.0
160.07649	0.4
160.11234	1.5
162.09204	1.5
163.09944	1.0
172.95242	0.4
178.05055	4.9
178.06050	1.1
178.12286	100.0
179.12686	0.8
183.85904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05518	5.8
57.03444	0.7
57.07079	1.3
59.04994	0.8
59.42403	0.4
60.04546	0.5
65.03939	0.7
65.79071	0.5
67.05502	2.2
69.43941	1.1
69.44353	2.2
69.82684	0.4
70.06554	0.5
70.63073	0.5
71.06123	0.4
71.08642	1.3
72.93792	2.2
74.06101	0.6
74.59556	0.4
76.02230	0.7
77.23125	0.4
79.05494	0.8
81.07075	2.3
82.06596	0.6
83.04993	5.5
84.67208	0.4
85.02917	0.5
87.04487	0.8
88.07631	1.7
89.07987	0.9
90.90389	2.5
90.94835	1.8
91.05489	6.4
93.07061	1.0
96.04462	0.5
97.02850	0.9
99.04541	0.5
99.08108	0.6
100.11276	1.3
101.06034	4.4
102.09196	0.8
103.03307	1.7
103.09521	0.9
105.07044	8.7
108.91400	0.7
109.92426	0.6
111.04452	7.3
113.05989	0.7
114.90111	0.4
115.05473	2.1
116.06223	1.4
117.07030	5.7
119.08586	9.8
127.07568	1.0
127.09566	0.7
128.06203	1.2
128.14418	0.9
128.34323	0.5
129.05515	2.2
129.07005	7.0
130.07776	3.1
131.08578	65.7
131.92990	1.2
132.08916	0.6
133.10139	2.0
137.05908	0.4
142.07858	0.9
143.08572	18.4
144.09358	6.7
145.06456	1.0
145.10132	21.6
149.94077	3.0
149.96132	0.9
150.06187	0.8
155.05945	0.7
155.07040	5.2
155.08516	1.4
156.09346	1.2
157.10179	1.7
158.07303	1.8
158.10924	27.9
159.11697	0.9
167.97195	0.9
171.11678	2.1
173.04614	1.0
173.05954	1.6
173.08217	9.6
173.09688	5.6
173.13275	100.0
173.17323	11.0
174.07663	1.1
174.13763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23761	1.3
55.05505	6.8
55.99145	1.4
57.07063	1.5
67.05500	4.0
68.42619	1.4
69.07073	17.3
70.90260	3.4
76.58224	1.3
77.03926	1.6
79.05481	4.3
81.07059	28.6
83.08621	3.6
91.05499	16.0
93.07052	10.2
95.08614	26.3
98.98459	4.4
104.26196	1.6
105.07040	42.6
107.08585	12.4
117.07024	4.7
119.08591	89.0
119.48203	1.6
121.10140	2.0
129.06978	1.4
131.08553	6.5
131.20711	1.6
132.05711	1.6
133.10139	92.5
145.10144	4.4
146.10954	1.9
147.11717	13.9
160.12485	2.6
173.13231	2.3
175.07642	4.3
175.11195	2.9
175.14838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Boonein
Peak:m/z	Relative Intensity
51.15684	0.6
53.03949	0.8
53.93724	0.5
55.01871	3.2
55.05515	9.0
57.03441	3.5
59.05003	0.7
60.00511	0.5
65.03931	3.2
67.05508	64.7
68.99805	0.6
69.03422	4.0
69.07084	3.7
69.37630	2.5
69.38057	2.1
70.06616	0.8
71.04983	1.8
72.04521	8.8
73.02917	8.9
79.05498	42.0
81.07062	43.9
83.04986	10.0
83.08628	3.2
85.02895	0.7
87.04481	1.5
89.07161	6.2
91.05482	7.9
93.03417	4.3
93.07050	6.2
95.04972	1.0
95.08612	1.8
97.06545	2.7
97.10172	1.5
99.04472	0.7
105.07031	2.9
107.04955	1.9
107.08601	100.0
108.08945	1.2
109.02954	0.6
109.06514	2.9
109.10163	24.3
110.10411	0.6
111.00837	0.8
111.04448	38.5
111.08092	2.9
112.07519	0.7
115.03973	0.7
115.05473	1.4
115.08289	0.6
117.07024	2.5
119.06059	0.9
125.06021	0.9
125.09636	15.8
126.09148	1.4
127.07583	0.7
128.06218	1.4
135.08061	13.3
135.11687	1.3
139.00272	2.0
139.03893	2.7
143.04970	0.8
143.06155	0.6
143.08618	1.6
153.09111	68.0
154.09515	0.8
156.09380	1.8
157.01315	0.9
171.02980	1.3
171.05533	2.4
171.10179	43.7
171.11633	3.5
171.14941	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.50340	0.6
55.05519	7.3
55.18383	0.5
55.58437	0.6
57.03431	0.6
57.07093	1.5
66.68661	0.5
67.05516	2.3
67.60391	0.5
69.07075	16.9
70.03750	0.6
70.94462	0.8
70.94798	1.0
72.08158	1.1
79.05482	3.2
81.07069	8.3
83.08636	3.3
87.04478	1.2
91.05485	9.4
93.07059	4.4
95.08619	6.7
97.02876	1.7
97.44457	0.5
98.03267	0.8
98.98480	3.6
105.07043	24.8
107.08612	5.7
115.05501	0.6
117.07034	3.0
119.04933	1.4
119.08594	74.5
121.10168	2.0
126.28887	0.5
129.07014	1.0
130.36159	0.5
131.08588	3.4
132.09351	0.8
133.10143	74.2
142.07755	0.7
145.10136	5.4
147.04422	1.7
147.08144	0.8
147.11690	10.6
157.10117	0.8
158.11807	0.7
160.12492	3.1
173.13286	1.9
175.03903	1.8
175.07666	2.9
175.14841	100.0
176.15187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02383	0.6
55.05514	6.4
57.07076	0.6
60.73539	0.5
62.23811	0.5
67.05490	2.5
69.07073	19.5
69.97270	2.1
76.84004	0.5
79.05472	2.5
81.07053	7.1
83.08620	4.0
88.17879	0.6
91.05488	7.8
91.68747	0.8
93.07055	4.3
95.08604	6.2
105.07034	26.3
106.58028	0.6
107.08595	6.4
115.05447	0.8
117.07008	3.0
119.08586	79.5
120.08868	0.8
121.10168	2.5
131.08566	4.0
133.10138	68.7
145.10133	4.7
145.11113	0.7
147.11688	9.4
160.12517	2.6
173.13280	2.3
175.14835	100.0
176.15189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05515	5.9
55.89663	0.6
57.07082	1.0
62.37940	0.6
67.05484	1.4
69.07075	18.5
69.96635	1.2
69.97057	1.8
70.53693	0.6
71.96107	0.6
79.05503	1.8
81.07061	5.7
82.71622	0.6
83.08617	3.6
83.85374	0.6
89.95233	0.6
91.05496	7.7
93.07056	3.8
93.77268	0.6
95.08614	3.9
98.98480	1.8
105.07040	22.8
107.08583	5.2
117.07027	2.9
119.08593	74.3
121.10149	2.6
131.08568	3.7
133.10143	61.2
145.10123	5.1
146.10864	0.9
147.11697	9.4
157.42236	0.6
158.10796	0.7
160.12505	3.6
173.13310	2.3
175.07532	1.2
175.14842	100.0
176.15160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92022	0.8
55.05517	9.1
57.07080	0.8
63.71466	0.7
67.05493	3.4
69.07074	19.4
69.17000	7.8
69.17392	1.5
79.05503	5.3
81.06590	1.5
81.07063	25.8
83.08625	4.4
91.05494	13.5
93.07054	9.9
95.08613	19.6
98.98470	1.8
105.07042	45.4
107.08609	11.2
107.89008	0.9
108.21954	0.9
115.05437	1.1
117.07021	3.8
119.08592	86.2
120.14568	0.7
121.10170	2.3
131.08582	6.0
132.09349	1.2
133.10141	82.1
145.10124	5.5
146.10886	1.9
147.11694	12.7
160.12502	2.3
173.13329	1.6
175.14841	100.0
176.15152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03947	3.3
55.01867	3.8
55.05517	8.5
57.03437	8.4
63.44176	1.5
65.03937	2.0
67.05182	2.5
67.05511	35.4
69.03415	6.7
69.07079	11.3
70.49232	4.8
70.49602	1.7
71.04971	2.7
71.42099	1.4
78.71696	1.5
79.05495	35.8
81.03418	1.9
81.07061	100.0
82.99815	2.2
83.04995	11.1
83.08661	2.8
85.06532	4.5
91.05487	47.3
93.07052	34.6
95.04977	14.3
95.08612	27.0
96.56068	1.5
97.06525	10.5
101.00889	19.7
101.02551	2.7
105.07040	62.2
107.08614	24.7
109.06538	14.7
109.10169	5.4
119.01936	49.3
119.03676	1.9
119.04945	27.6
119.08598	42.6
120.08109	2.7
121.10156	45.4
123.04430	3.2
123.08099	11.9
123.11695	8.7
124.02483	5.5
137.02965	8.4
137.05980	3.8
137.09631	3.7
137.13312	3.2
142.03519	45.3
142.96730	3.6
147.04422	67.9
147.11700	87.7
160.04535	11.2
165.05507	8.8
165.06650	2.3
165.09071	5.3
165.12762	92.8
166.08633	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.32063	0.8
50.36739	0.8
51.91376	0.9
53.03939	2.5
53.80052	0.8
54.44572	0.8
55.01866	3.6
55.05514	7.7
56.02271	0.9
57.03445	9.7
58.93967	1.1
65.03932	2.6
67.05511	35.2
69.03431	5.2
69.07079	9.0
70.96232	2.2
71.04967	2.9
73.62523	0.8
79.05500	34.9
81.07063	100.0
82.99852	1.2
83.04977	7.7
83.08619	2.0
85.06556	4.4
87.78272	1.0
91.05489	42.3
93.07048	35.3
95.04979	13.2
95.08611	23.3
97.06532	9.7
99.08087	1.2
100.02490	1.5
101.00872	7.8
101.02625	1.0
105.04540	0.9
105.07040	54.6
107.08601	21.9
109.06532	11.6
109.10173	4.7
119.01937	16.9
119.04951	13.8
119.08590	49.2
120.08121	1.2
121.10153	53.8
123.04434	1.6
123.08095	9.0
123.11736	8.2
124.02483	2.6
137.02960	3.7
137.09641	2.6
137.13260	2.5
142.03502	20.1
142.96712	1.6
145.10149	1.5
147.04431	32.5
147.11699	86.8
148.12077	1.3
148.20389	0.9
160.04568	3.5
165.05362	2.9
165.06607	1.1
165.09070	2.2
165.12766	90.0
166.13194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
55.37880	0.2
57.80177	0.2
71.05713	0.4
77.03914	0.2
79.05497	1.2
80.51801	0.2
91.05494	0.6
93.07050	1.7
103.05476	8.1
107.04967	2.1
118.06548	0.3
120.08119	100.0
121.08468	1.0
125.44784	0.2
131.04948	2.6
132.00986	0.2
149.06003	0.8
166.08624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01873	1.2
55.05511	3.9
56.96584	0.7
57.03442	1.7
57.07069	1.5
59.04996	1.7
65.03935	2.9
67.05509	7.4
68.99817	0.6
69.03422	2.5
69.07086	4.1
71.04988	1.7
71.52310	0.6
73.02924	1.5
77.03918	0.6
78.04726	5.3
79.05502	24.3
81.03452	1.4
81.07064	27.5
83.04990	4.6
83.08619	1.3
85.06544	1.0
88.73761	0.5
91.05480	9.8
93.03414	1.4
93.07052	50.1
94.08872	0.5
95.04992	3.1
95.08066	1.2
95.08616	12.8
97.06536	5.9
103.05485	1.2
104.09742	0.5
105.03384	2.1
105.04528	0.6
105.07042	11.6
106.04166	1.8
107.04967	5.2
107.08606	16.7
109.02858	0.7
109.06514	6.4
109.10146	2.0
111.04432	3.0
111.08086	3.8
111.81506	0.7
119.06074	0.7
119.08574	1.9
121.01704	0.9
121.02842	0.7
121.06524	7.2
121.10154	100.0
123.04449	8.9
123.08059	3.5
123.11718	11.8
124.05235	3.2
125.06014	8.9
125.09631	2.4
131.08582	4.2
133.07635	2.4
137.06012	1.1
139.07594	4.3
139.11183	10.0
144.03276	1.0
149.02350	2.6
149.05992	1.5
149.09636	14.3
149.13303	2.6
151.03903	1.3
152.04753	1.3
154.45665	0.6
167.03423	1.3
167.07063	44.2
167.10678	15.6
167.14299	2.1
167.15514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05273	4.0
55.05518	57.4
55.95914	2.6
57.07078	10.7
57.29579	2.2
62.99371	2.3
69.07072	100.0
69.74727	13.4
71.08627	5.9
77.58439	2.2
79.05535	2.5
83.08630	26.8
85.10204	4.1
97.10162	34.5
107.08575	3.1
108.40723	3.0
111.11720	16.0
112.02958	2.9
121.10221	3.8
123.90963	2.6
125.08250	3.2
149.02425	3.3
165.92719	2.5
167.08199	4.2
167.15491	8.0
181.22098	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01868	0.7
55.05508	0.9
56.31731	0.3
65.03939	1.0
67.05508	1.2
68.99772	2.1
69.03419	0.5
69.31741	1.0
69.32166	1.9
70.06569	0.5
71.04978	0.3
79.05494	0.8
81.03424	0.9
81.07059	2.7
83.04980	1.1
85.02920	0.5
91.05467	0.9
93.03411	0.7
93.07038	1.0
95.04972	1.1
95.08626	1.0
97.02897	1.0
98.03692	2.1
98.18304	0.4
99.04445	0.9
105.07043	0.6
107.08617	0.7
109.02891	2.5
109.06525	1.1
109.10149	0.6
111.00810	21.4
111.04476	1.3
111.08058	0.5
113.05993	0.4
123.04449	0.7
123.08012	0.6
123.11686	1.3
123.49780	0.3
125.02388	0.4
125.05984	0.5
126.03138	26.4
127.03967	0.4
127.07453	0.4
133.10179	0.4
141.05469	100.0
142.05782	1.0
151.03870	0.7
151.07553	0.8
151.11203	0.8
154.02687	0.4
155.02621	0.4
169.04971	57.4
169.07500	1.6
169.12175	0.5
170.05219	0.7
170.08034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03939	1.5
55.01880	5.8
55.05518	6.7
56.96560	1.6
57.03428	1.6
63.49285	0.5
65.03944	19.3
67.05499	2.7
68.99791	6.7
69.03429	2.7
69.07082	2.6
70.06583	0.6
70.34250	0.4
70.61949	0.5
70.94248	1.9
71.01358	1.0
71.04986	1.5
71.41515	0.5
71.41848	1.0
72.04150	0.9
72.04520	9.7
72.08130	0.5
79.01833	0.6
79.05499	4.4
81.03422	3.3
81.07056	1.9
82.06587	0.8
83.01364	0.8
83.04984	11.2
83.08621	3.7
84.08142	1.3
85.02908	1.8
86.09715	1.4
87.04461	0.5
88.95306	1.9
89.07168	8.1
91.05513	0.7
93.03416	9.2
93.07035	2.9
95.01664	0.7
95.04984	1.5
95.08627	1.1
96.02125	1.2
96.06918	0.5
96.08163	0.6
97.02889	1.8
97.06534	2.1
98.06049	0.9
99.04462	1.0
100.07594	0.8
107.04981	3.3
107.08611	1.8
109.02895	0.7
109.06550	1.3
109.10156	0.6
111.04449	73.5
111.08092	1.4
113.53210	0.8
115.03942	0.8
118.01929	0.5
120.54001	0.6
121.02915	1.0
121.03996	8.5
125.02658	2.4
125.06004	2.7
125.07118	1.0
125.07980	0.6
125.09623	1.7
126.05511	0.6
126.09162	1.5
127.03880	0.8
129.10291	0.6
129.54480	0.6
135.04417	2.0
135.08051	1.5
136.58836	0.6
139.00313	5.6
139.03912	100.0
140.04300	1.0
153.01820	1.6
153.05486	1.7
153.09111	1.6
157.01346	2.4
171.02892	2.6
171.04337	1.0
171.06586	8.9
171.07957	1.6
171.10085	1.1
171.11639	0.9
171.14963	8.1
172.09724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03938	4.0
53.13795	1.6
55.01873	3.0
55.05509	11.3
57.03428	3.8
57.07074	5.6
59.04995	4.6
65.03951	11.8
67.05511	31.4
68.99783	5.2
69.03437	7.6
69.07076	15.1
70.06603	14.6
71.05000	42.6
71.06919	8.5
79.05494	15.8
81.03419	16.1
81.07063	100.0
83.04994	11.0
83.08631	2.2
83.60130	1.9
85.02926	2.1
85.06560	7.5
88.88989	1.6
89.06047	1.9
91.05473	5.4
93.03423	9.0
93.07054	15.9
95.04972	13.6
95.08616	21.5
97.02838	1.5
97.06557	7.3
97.10173	1.6
98.03691	4.1
99.04462	6.2
99.08102	4.8
103.93836	1.5
105.07027	10.9
107.08596	20.7
108.02078	3.1
109.02895	37.4
109.06544	21.1
109.10172	42.5
109.10920	2.3
110.03704	2.1
111.00822	17.5
111.04466	15.2
111.08094	8.6
113.06001	4.3
121.10155	3.8
123.04445	10.9
123.08111	12.7
123.11719	50.6
125.06001	6.7
125.09681	1.5
126.03146	31.5
127.03922	4.3
127.07568	15.4
127.11193	2.5
133.10150	10.2
135.44841	1.7
137.02364	3.3
139.11209	9.5
141.05478	80.2
141.09155	4.2
142.08656	1.8
146.53900	1.7
151.03926	61.3
151.05130	3.3
151.07553	7.0
151.08591	1.8
151.11188	19.1
152.03349	1.9
152.07060	2.6
152.10677	1.9
154.02599	2.8
169.04994	79.5
169.07552	55.6
169.12253	18.1
170.08145	1.9
181.35065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	6-Oxocineole
Peak:m/z	Relative Intensity
55.01864	4.0
55.05516	12.5
56.96546	1.2
57.03435	1.8
57.07067	1.8
59.05007	1.6
62.09958	0.9
65.03938	2.0
67.05509	18.8
69.03455	1.1
69.07069	4.9
71.01349	4.2
71.04987	6.2
71.52089	1.9
79.05497	8.8
81.03414	2.5
81.07064	33.4
83.04973	1.8
83.08630	7.0
85.02896	1.2
85.06542	1.3
91.05487	10.0
93.07066	6.3
95.04971	2.3
95.08607	5.3
97.06540	1.9
97.51971	1.0
105.07042	5.2
107.08614	5.6
109.02864	3.1
109.06526	2.8
109.10141	5.2
111.04482	1.5
111.08078	3.2
123.04432	1.2
123.08092	2.2
123.11723	7.1
124.04729	1.0
126.03136	2.7
133.10129	3.4
141.05513	5.3
141.07025	5.7
151.03912	1.5
151.11192	1.3
152.03452	1.7
152.07129	1.2
154.07780	3.9
169.04993	5.7
169.06239	1.5
169.07562	2.0
169.10146	9.7
169.12251	100.0
170.08257	1.3
170.09636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.28001	0.4
55.05516	3.9
59.05000	0.5
65.03968	0.5
66.57893	0.4
67.05504	2.6
68.77168	0.4
69.03429	0.9
69.07072	2.2
69.44574	2.6
71.05001	0.6
79.05499	2.7
81.03441	1.4
81.07060	5.2
83.04980	1.0
83.08633	3.5
85.06528	0.6
85.27602	0.4
91.05483	6.9
93.07038	2.7
94.85772	0.4
95.04974	100.0
95.08609	4.5
96.05295	0.8
98.21476	0.6
101.00900	2.3
103.18996	0.4
105.07040	5.0
107.08600	11.6
109.06527	21.7
109.10142	2.4
119.01918	3.6
119.04951	9.1
119.08576	3.7
120.05312	0.6
121.10162	3.0
123.04418	0.8
123.08098	2.3
123.11707	1.6
124.02417	0.5
133.02843	0.8
136.83582	0.4
137.02974	0.5
137.06000	1.3
137.09624	2.0
137.13257	1.7
142.03506	3.9
147.04420	24.5
147.08092	0.5
147.11696	11.4
153.50031	0.4
160.04602	0.8
165.01962	0.5
165.05475	1.6
165.09117	2.6
165.12764	66.2
166.13037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03937	3.0
55.01860	3.1
55.05511	5.7
55.80783	0.8
57.03436	4.8
57.07079	1.7
61.13454	0.9
67.05511	34.7
67.78943	0.9
68.95863	0.8
69.03410	3.9
69.03738	0.9
69.07084	6.8
70.45645	1.4
70.46001	2.7
71.04987	2.2
79.05496	29.7
81.07059	73.4
81.59611	1.0
83.04991	7.9
85.06543	3.6
91.05483	36.7
93.07047	38.1
95.04970	6.8
95.08607	18.6
97.06546	8.5
101.00907	1.3
103.05489	1.6
105.07035	64.9
107.04968	1.2
107.08597	23.8
109.06519	11.0
109.10152	4.6
117.07010	1.6
119.01907	2.1
119.04964	6.3
119.08586	47.4
121.10149	64.2
123.04478	1.0
123.08064	4.9
123.11713	8.7
137.09628	3.5
137.13274	1.9
142.03465	2.8
145.10130	1.5
147.04430	13.3
147.11693	100.0
148.11945	1.0
165.09134	2.8
165.12759	88.0
166.13097	1.0
178.64133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03941	2.5
55.01870	1.4
55.05500	1.9
65.03931	3.2
65.46542	0.9
67.05196	0.9
67.05516	16.3
69.03420	2.6
69.07063	2.3
70.02213	4.3
71.04993	1.5
72.30917	1.2
79.05500	31.5
81.07065	100.0
82.99811	1.2
90.00430	0.9
91.05489	16.1
93.07063	6.8
95.04980	9.0
95.08620	18.2
100.02484	1.3
101.00892	14.4
101.02588	1.9
105.07042	11.2
107.08607	54.6
109.06529	41.6
109.10150	2.8
117.06985	1.5
119.01931	31.0
119.04949	20.3
119.08590	9.9
120.08095	1.7
121.06494	1.3
121.10120	3.8
123.04417	3.6
123.08082	80.1
123.11760	7.2
124.02502	4.7
127.06636	1.9
127.07574	35.7
133.02866	1.1
137.02975	6.3
137.05922	1.6
137.09579	2.5
137.13353	1.1
142.02449	1.8
142.03514	31.2
142.96713	2.4
147.04427	51.8
147.11703	42.1
160.04568	7.8
165.01855	2.0
165.05345	5.2
165.09099	3.4
165.12769	97.4
166.08583	1.5
166.13174	1.4
175.96225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87241	0.5
70.77471	0.7
70.77782	0.9
80.19733	0.4
82.01479	0.9
82.99850	10.0
83.00315	0.9
100.02477	1.1
101.00892	63.6
102.00961	0.9
111.00465	0.7
119.01932	86.2
120.01987	2.6
124.02463	15.0
137.02975	10.8
142.03513	100.0
143.03647	2.8
150.42923	0.6
160.04582	13.7
165.05147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82579	0.5
55.52833	0.5
56.01363	0.4
70.79865	1.5
82.01439	1.1
82.99844	13.2
100.02478	0.6
101.00890	81.4
102.00973	1.0
111.00444	1.0
119.01930	96.5
120.02026	1.9
124.02460	18.8
137.02966	10.7
142.03510	100.0
143.03627	2.2
160.04575	14.6
165.05119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.055
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03940	0.6
59.06085	0.3
65.03941	1.1
67.05495	0.4
69.67845	1.8
72.49698	0.3
78.52011	0.3
81.07111	0.4
82.99853	1.6
91.05490	20.3
93.07078	0.5
95.04981	7.3
97.06567	0.3
98.21490	0.6
101.00892	13.0
103.05466	0.5
105.07002	0.6
109.06481	0.5
109.10191	0.4
110.39841	0.3
110.88019	0.3
115.78755	0.3
119.01939	18.7
119.04952	42.8
119.08579	0.8
120.08115	1.5
123.04441	19.9
123.08082	0.8
124.02475	2.7
127.00501	0.3
133.02885	0.5
137.03003	2.8
137.06026	0.7
142.03517	20.9
147.04424	100.0
148.04785	1.3
160.04532	2.9
165.01836	0.5
165.05490	2.8
165.09105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.41114	0.2
51.02385	0.2
53.03951	0.5
54.52894	0.2
54.72431	0.3
55.01876	0.5
55.05513	1.2
57.03445	0.3
65.03954	0.8
66.04740	0.3
67.05509	7.3
69.03429	0.6
69.07065	0.5
71.51091	0.3
71.51507	0.3
79.05493	2.9
81.03421	1.2
81.07059	4.6
83.04993	1.0
91.04911	0.5
91.05488	9.3
93.07052	3.8
95.04974	6.6
95.08613	21.1
96.08958	0.3
101.00885	3.0
103.05490	0.5
105.03401	0.3
105.04519	0.3
105.07038	7.2
107.04967	0.7
107.08599	2.4
109.02869	0.7
109.06557	1.4
109.10152	3.1
117.07041	0.6
119.01933	6.1
119.04948	10.1
119.08591	7.1
119.09464	0.3
120.08090	0.4
121.06555	0.4
121.10157	1.5
122.03658	0.5
122.07285	0.3
123.04462	4.0
123.08075	100.0
123.11707	1.0
124.02486	0.8
124.08389	0.9
127.03907	0.4
133.02895	0.7
133.06483	1.4
137.02946	1.1
137.05989	3.7
137.06976	0.5
137.09612	2.1
142.03511	5.2
143.03590	0.3
147.04420	22.0
147.08066	2.6
147.11694	1.3
148.04724	0.4
160.04543	1.1
165.01880	0.6
165.05522	2.1
165.09117	14.1
165.12741	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.46894	0.2
52.43344	0.3
55.05511	0.9
67.05513	4.1
69.61340	1.4
79.05504	0.9
81.03424	0.2
81.07059	2.9
91.05492	2.7
93.07045	1.4
95.05003	0.8
95.08615	20.0
101.00892	0.8
105.07053	1.8
109.10143	0.6
119.01948	1.0
119.04939	3.8
119.08598	0.8
120.97453	0.3
121.10149	0.3
123.08077	100.0
124.08421	1.1
133.02834	0.3
137.05969	0.4
138.84406	0.2
142.03477	1.0
147.04424	9.3
147.08060	0.6
165.05432	0.9
165.09126	8.1
165.10526	0.4
165.12755	0.3
184.84518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1278
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
52.69325	0.9
53.03942	3.2
55.01872	2.6
55.05533	5.0
55.05748	1.0
57.03451	5.9
57.07080	2.0
62.93619	0.8
65.03959	2.5
67.05517	30.4
69.03442	4.5
69.07075	4.9
71.04984	2.3
71.06422	1.4
75.70811	0.8
79.05075	1.6
79.05508	25.8
81.03436	1.9
81.07072	59.7
83.04991	7.4
85.06547	3.0
91.05495	49.7
91.05927	0.6
91.45700	0.9
92.05827	1.0
93.06487	1.7
93.07059	29.6
95.04996	12.1
95.08626	19.9
97.06553	5.8
99.08102	1.2
101.00900	5.5
101.01475	1.0
101.02592	1.3
103.05460	2.0
105.03384	1.4
105.04571	1.3
105.07048	48.3
107.05028	0.9
107.08615	20.3
109.02898	1.1
109.06544	11.6
109.10180	8.6
117.07015	2.3
119.01954	15.9
119.04965	40.2
119.08598	47.7
120.08138	2.4
120.08953	0.9
121.06425	1.0
121.10162	51.2
122.03648	1.5
123.04440	4.3
123.08092	11.1
123.11724	9.0
123.35070	0.9
124.02460	1.2
128.97562	0.8
133.02881	5.2
137.02982	3.0
137.05077	1.4
137.05981	6.8
137.06897	1.4
137.09613	5.5
137.13263	1.8
142.03497	15.9
142.96684	1.6
145.10120	1.9
147.04434	100.0
147.08076	2.0
147.11710	76.3
148.04857	1.0
160.04582	2.8
162.32678	0.9
165.01820	5.1
165.04230	1.1
165.05545	16.2
165.06874	1.9
165.09148	9.5
165.12776	71.4
166.05061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03962	0.3
55.01881	0.5
55.05511	1.3
57.03445	0.4
60.96268	0.2
61.86368	0.2
65.03951	0.5
67.05510	5.0
69.03442	0.9
69.04442	0.2
69.07088	0.7
69.43752	1.0
69.44160	0.5
71.05016	0.4
77.03938	0.3
79.05501	2.2
81.03419	1.4
81.07062	5.1
81.07536	0.4
83.05002	0.6
83.08656	0.2
85.02921	0.3
90.19243	0.2
91.05488	8.2
93.07063	2.4
95.04986	2.4
95.08615	20.4
95.60474	0.2
96.05297	0.2
97.06509	0.3
101.00896	1.7
103.32587	0.2
105.07036	3.4
105.07691	0.3
107.04984	0.3
107.08595	2.0
109.06530	2.0
109.10162	1.6
117.07034	0.3
119.01931	4.1
119.04956	14.3
119.08594	3.1
120.08128	0.5
121.06567	0.3
121.10143	1.6
122.03677	0.3
122.07267	0.3
123.04507	1.1
123.08077	100.0
123.11725	1.0
124.02454	0.4
124.08407	1.1
133.02875	0.6
137.02957	0.8
137.05995	1.0
137.07956	0.2
137.09598	1.5
137.13297	0.3
142.03505	3.4
147.04422	35.0
147.08101	1.1
147.11684	2.6
160.04597	0.9
165.01796	0.4
165.05560	2.0
165.06816	0.4
165.09113	9.8
165.10507	0.5
165.12772	7.9
166.08600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1484
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03948	2.5
55.01873	1.7
55.05515	6.7
57.03452	0.7
57.07077	1.2
65.03935	1.7
67.05511	4.9
67.71079	0.6
69.03431	4.9
69.07076	16.3
69.33537	4.7
71.05010	2.7
73.02934	0.7
79.05500	19.2
81.03404	1.3
81.07064	21.9
83.05015	1.0
83.08626	4.4
85.02905	1.4
89.03940	1.4
89.06042	0.9
91.05485	17.9
93.07051	39.0
95.04980	5.8
95.08617	16.2
97.02846	0.6
103.05476	12.6
105.04529	1.6
105.07041	15.4
107.04974	5.8
107.08604	100.0
107.68839	0.5
109.06529	1.6
109.10158	1.0
115.05482	1.2
117.03391	2.2
117.07037	7.3
119.04963	0.8
119.06048	1.0
119.08593	10.2
121.06515	6.5
121.10152	36.1
128.87642	0.6
128.92657	0.5
129.07010	1.3
130.06567	1.0
130.07808	4.0
131.04939	15.0
132.08092	1.5
133.02892	2.0
133.06519	1.0
133.10136	1.4
135.04434	7.4
135.08127	2.8
135.11703	21.9
143.08568	1.1
145.02890	1.7
145.06509	2.1
145.10136	17.6
148.08818	0.9
161.13297	1.2
163.03928	30.0
163.07555	5.8
163.08727	0.8
163.11189	41.2
163.14832	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1072
Annotation	Streptazone D
Peak:m/z	Relative Intensity
53.03943	1.2
55.01871	0.8
55.05506	1.6
56.05022	1.5
57.03429	1.4
63.92912	0.6
67.01862	0.6
67.05517	3.8
69.03426	0.6
69.07057	1.5
69.35736	3.6
69.59932	0.5
70.07394	1.0
77.03894	0.5
78.95274	1.9
79.05495	7.1
80.05025	0.8
80.05837	1.3
81.07063	5.2
82.01454	1.2
82.06569	0.7
82.07387	0.9
90.04256	1.1
91.05489	27.8
92.04977	0.5
92.05822	0.9
93.05772	0.9
93.07054	19.4
93.93819	0.5
94.06553	2.6
94.07364	1.8
95.04991	2.5
95.07365	1.0
95.08612	3.4
96.08129	3.3
96.08977	1.1
100.02497	6.0
101.00862	1.2
103.05468	3.8
104.05770	7.6
105.03399	0.5
105.04577	0.6
105.07043	6.5
106.06576	2.4
107.04936	0.5
107.07357	1.2
107.08626	2.7
108.04528	1.0
108.05270	1.0
108.07435	0.8
108.08115	11.4
108.08931	4.2
109.06492	0.7
109.10149	2.1
110.06048	0.8
111.89504	0.5
117.05736	0.7
117.07034	6.9
118.03551	3.0
118.06625	2.6
118.07324	0.9
119.01942	5.1
119.04971	6.6
119.08592	49.9
119.97897	1.2
120.04462	0.6
120.08106	1.9
120.08890	1.0
121.06486	1.0
121.08905	4.9
121.10178	5.2
122.06034	2.4
122.09714	0.7
122.10495	1.7
122.94238	0.9
123.04395	1.0
123.08064	2.7
129.07019	3.1
130.06471	0.8
131.04979	1.0
131.07323	3.0
132.05267	10.6
133.06435	0.7
134.06027	5.3
135.06781	1.5
136.04752	2.1
136.07578	7.4
136.11209	6.7
136.12048	0.7
137.03000	1.2
137.05975	0.9
140.95210	1.0
142.03516	4.0
144.08096	0.6
146.03174	1.3
146.06029	3.9
146.09624	5.5
147.04425	11.8
147.08058	13.0
148.07614	0.8
149.05597	0.9
149.08374	14.0
158.96304	1.9
160.04594	0.8
163.96863	0.5
164.04391	8.4
164.06906	8.3
164.10722	100.0
164.15271	3.1
165.09106	1.2
165.11089	1.0
165.12740	1.2
166.73055	0.6
181.97757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21482	0.5
53.03935	1.8
55.01884	0.7
55.05498	1.9
56.05025	1.3
57.03426	1.8
57.73439	0.6
63.92928	1.0
65.03935	0.6
66.04745	0.5
67.05521	3.4
68.05016	1.0
69.03417	1.0
69.07062	1.0
70.07409	0.7
71.50765	0.9
77.03893	0.6
78.95281	1.7
79.05506	8.0
80.05015	1.2
80.05818	1.2
81.03384	0.7
81.07068	4.9
82.01440	1.6
82.07368	0.9
83.08626	0.6
90.04247	1.5
91.05486	28.4
92.05791	1.0
93.05777	0.8
93.07047	21.7
94.06565	3.0
94.07375	1.6
95.04961	2.4
95.07337	0.6
95.08607	4.0
96.08132	3.6
96.08929	1.3
100.02489	6.7
101.00884	1.7
103.05493	4.7
104.05795	10.0
105.04521	0.6
105.07031	6.3
106.06545	2.2
106.07842	0.6
107.04938	0.7
107.07391	0.9
107.08611	2.9
108.04475	0.9
108.05249	0.8
108.08110	12.3
108.08917	4.9
109.06507	1.5
109.10155	1.7
117.07023	6.5
118.03568	2.8
118.06526	2.3
118.07339	0.6
119.01929	3.9
119.04954	5.4
119.08588	48.3
119.97924	0.7
120.08079	2.0
120.08868	1.0
121.06477	1.0
121.08887	4.8
121.10135	6.3
122.05988	1.9
122.09679	0.8
122.10481	2.2
123.04402	0.7
123.06773	0.6
123.08063	2.3
129.06993	4.1
131.04926	1.8
131.07338	3.4
132.05267	14.8
134.06026	6.4
135.06792	2.1
136.03888	0.7
136.04781	2.1
136.07588	8.1
136.11217	7.0
136.12148	0.7
137.05994	0.9
137.09608	0.8
142.03487	3.5
146.06023	3.7
146.09613	5.2
147.04427	13.0
147.06960	0.8
147.08058	12.5
148.07535	0.9
149.05559	1.3
149.08368	14.1
158.96291	1.3
160.04559	0.6
163.96892	0.5
164.04362	8.2
164.07074	6.9
164.08083	2.9
164.10715	100.0
164.15207	4.7
165.01874	0.5
165.09099	1.7
165.11066	1.0
165.12648	0.6
181.53094	0.5
183.11732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03950	6.9
55.01878	6.3
55.05505	6.4
55.71394	0.8
56.88194	0.7
57.03433	1.8
57.07064	1.9
61.02925	1.0
65.03937	1.2
67.05510	9.2
69.03441	4.9
69.07074	7.8
69.54222	4.3
71.04993	1.0
75.10362	0.9
76.76255	0.8
77.03928	2.1
79.05499	32.8
81.03413	1.7
81.07064	48.5
83.04978	1.3
83.08613	2.2
84.08136	0.9
85.02913	2.7
89.03912	2.1
89.06046	1.3
91.05482	18.7
92.02622	1.5
93.03406	1.5
93.07048	61.3
95.04977	10.9
95.08607	8.2
103.05470	13.9
105.03400	2.6
105.04515	2.4
105.07039	18.8
106.06576	1.2
107.04962	10.1
107.08601	50.4
108.08918	1.0
109.06525	14.9
115.05455	2.4
117.03400	1.9
117.07030	13.3
119.04946	2.2
119.08590	27.9
121.06529	6.4
121.10154	59.1
122.01699	0.8
122.10500	1.1
123.08082	1.0
127.07559	12.0
129.07040	1.5
130.06534	2.2
130.07790	9.2
131.04944	16.0
132.08089	3.5
133.02866	12.7
133.06461	2.4
133.07480	1.3
133.10158	1.2
135.04428	17.0
135.08061	9.3
135.11719	12.2
136.07538	1.4
143.08598	3.2
145.06523	3.1
145.10130	76.4
146.10490	1.1
147.07910	1.1
148.08829	2.7
163.03920	74.4
163.07556	14.0
163.11185	100.0
163.14825	18.6
164.04239	0.9
164.11626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03946	3.8
55.01870	1.9
55.05517	7.1
57.03439	1.5
57.07071	2.2
61.02911	1.1
63.00557	0.8
65.03936	2.7
66.37337	0.8
67.05505	5.4
68.99793	1.7
69.03427	4.7
69.07070	22.1
71.04996	1.1
71.50929	1.3
73.02912	0.8
77.03925	1.1
79.05496	24.9
81.03423	2.1
81.07059	27.8
83.04967	0.9
83.08630	6.4
84.08142	1.3
85.02906	9.9
89.03920	10.1
89.06023	1.8
90.20043	0.6
91.05486	16.0
93.03423	1.0
93.07048	39.3
95.04996	4.8
95.08614	24.0
95.09072	0.4
96.35577	0.7
97.02899	1.9
100.02462	1.3
102.04689	1.2
103.05472	62.3
104.05763	1.0
105.03406	1.1
105.04517	1.6
105.07037	11.1
106.06544	1.6
107.04959	13.9
107.08597	100.0
109.02914	1.8
109.06514	1.5
115.05496	1.3
117.03407	6.5
117.05637	0.8
117.06995	4.9
118.06548	0.8
118.87806	0.8
119.04964	2.1
119.06068	1.4
119.08572	8.3
121.06529	4.8
121.10147	31.2
127.03876	1.1
130.06534	3.1
130.07764	1.6
131.04933	86.5
132.05211	0.8
132.08109	4.6
133.02840	4.6
135.04424	22.8
135.08047	4.2
135.11694	16.3
136.07616	1.1
139.52917	0.9
145.02870	7.6
145.06462	1.1
145.10130	7.7
147.08002	1.2
148.05215	6.4
163.03912	89.7
163.07533	27.8
163.08664	2.3
163.11153	14.8
163.12372	4.1
163.14830	60.9
164.10747	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02390	0.5
53.03949	3.8
55.01866	2.0
55.05515	8.1
57.03437	1.6
57.07091	2.6
65.03945	1.3
67.05509	5.7
68.99801	0.8
69.03430	5.5
69.07074	18.9
71.01662	1.2
71.04990	2.0
77.03928	1.5
79.05501	19.4
79.99939	0.5
81.03418	1.7
81.07063	25.2
83.04984	2.0
83.08624	4.0
84.08199	0.5
85.02900	1.5
89.03915	2.5
91.05488	19.6
91.41231	0.5
93.03445	1.1
93.07053	46.5
95.04979	6.4
95.08617	17.4
97.02904	0.7
103.05479	12.6
105.03397	0.9
105.04523	1.2
105.07044	18.8
106.06589	1.0
107.04966	8.5
107.08603	100.0
109.06528	2.1
109.10158	1.3
110.01341	0.6
115.05466	1.9
117.03402	2.4
117.05788	0.9
117.07015	8.1
119.04950	0.9
119.08594	11.5
120.08089	0.7
120.09355	0.5
121.06511	7.1
121.10154	44.0
129.07016	0.9
130.06529	1.9
130.07787	5.0
131.04941	17.0
132.08109	2.9
133.02844	3.9
133.06479	1.3
133.10130	1.5
135.04448	9.2
135.08110	3.9
135.11702	25.1
143.08624	1.7
145.02846	2.6
145.06497	2.8
145.10136	25.9
148.08823	1.5
163.03918	42.5
163.07567	7.5
163.11189	51.7
163.12320	2.6
163.14830	51.0
164.11569	0.8
164.15204	0.8
179.31497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03953	8.7
54.49077	0.5
55.01591	0.4
55.01875	3.4
55.05523	2.6
57.07073	0.5
65.03927	0.7
67.05518	3.4
69.03425	1.9
69.07075	3.5
69.56937	2.8
77.03934	2.2
79.05498	18.3
81.03413	1.1
81.07064	20.2
83.08617	0.7
89.03931	3.7
89.06014	0.7
91.05482	8.5
92.02654	2.4
93.03423	0.7
93.07052	23.4
94.07320	0.5
95.04980	8.0
95.08622	3.7
103.05465	4.6
105.03416	3.2
105.04505	3.6
105.07035	9.0
107.04957	6.5
107.08601	23.6
109.06524	7.6
115.05495	0.9
117.03398	2.7
117.05671	0.6
117.07023	4.9
119.04942	1.3
119.08585	11.2
120.02071	0.8
121.06516	3.3
121.10152	26.5
122.98795	0.5
127.07572	5.7
130.06544	1.2
130.07794	3.6
131.04031	0.7
131.04942	6.7
132.08098	1.3
133.02866	18.0
133.06514	1.3
133.10146	0.6
135.04433	24.4
135.08041	3.8
135.11691	5.7
143.08592	1.8
145.02872	1.9
145.06453	1.2
145.10132	32.3
148.08820	1.1
163.03915	100.0
163.07506	3.2
163.11182	41.8
163.14841	10.0
164.04269	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1329
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.33174	0.5
53.03955	1.7
55.01897	3.0
55.05521	8.0
60.08182	0.8
65.03970	0.9
67.05517	3.2
68.83424	0.6
69.03461	0.8
69.07080	11.0
73.02932	0.9
77.03941	0.8
78.93140	0.5
79.05507	8.0
81.07069	8.9
83.32328	0.6
84.04545	0.8
85.02920	0.9
87.04462	0.6
91.05495	16.6
93.07067	5.3
95.08639	1.8
97.02918	1.5
103.03954	1.2
103.05477	6.1
105.03415	1.5
105.07049	87.2
106.07391	0.9
107.04962	1.3
107.08601	3.8
113.02388	2.3
115.03937	1.1
115.05467	8.5
117.07046	5.6
118.04195	2.0
118.06566	1.4
119.01962	1.1
119.08602	100.0
119.95824	1.2
120.08903	1.0
121.06525	1.7
121.10184	0.9
128.06268	1.3
131.04974	2.3
131.08583	5.2
133.06526	13.3
133.08594	1.3
133.10152	35.9
134.06050	0.9
143.04955	0.8
143.06065	1.0
143.08614	2.2
144.08089	0.9
145.06561	0.6
145.10162	0.7
146.03676	1.4
146.07310	3.3
146.10922	2.7
159.11722	3.8
161.06009	17.8
161.07994	6.6
161.09651	23.3
161.13281	86.1
162.05499	1.8
162.09117	1.1
162.11307	2.8
162.13638	0.6
171.05603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
65.03945	0.8
68.99796	0.7
70.66280	0.5
70.66594	0.6
71.26164	0.3
79.05493	1.2
91.05487	12.3
93.07063	0.5
95.70880	0.3
98.21016	0.4
107.04964	28.4
107.08570	0.8
119.04950	17.4
121.10146	0.6
127.71159	0.4
135.04395	2.1
145.10153	0.6
163.03915	100.0
163.11162	1.1
163.14799	0.4
164.04274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02400	0.2
53.03942	0.8
53.72648	0.2
54.22497	0.2
55.01865	0.4
55.05501	0.3
55.52224	0.2
57.07059	0.2
65.03944	0.9
68.99796	0.7
69.03429	0.3
69.07069	0.5
69.40963	0.4
69.41370	1.4
71.04993	0.2
77.03931	0.3
79.05505	1.9
81.03432	0.5
81.07078	0.2
85.02902	0.6
89.03931	3.7
91.05497	12.7
93.07044	1.0
95.04989	0.6
97.02818	0.3
98.21466	0.4
103.05483	2.4
105.03316	0.2
105.04494	0.3
105.07056	0.6
107.04972	28.3
107.08602	1.3
108.05295	0.3
110.67608	0.2
117.03403	3.7
117.05592	0.2
117.06976	0.4
119.04967	15.0
119.08661	0.3
121.06569	0.4
121.10126	0.7
130.06613	0.2
131.04953	3.1
132.08136	0.6
133.02841	0.3
135.04442	8.6
135.08057	0.5
135.11734	0.5
145.02863	3.2
145.10130	0.6
155.06276	0.2
163.03931	100.0
163.07521	1.6
163.11063	1.1
163.12364	0.6
163.14862	0.6
164.04327	1.2
171.81148	0.2
173.06570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0601
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02381	0.5
53.03955	2.8
53.67498	0.4
55.01880	4.9
55.05519	0.7
59.04984	0.4
66.04738	1.4
67.05531	0.5
69.03434	0.8
69.07085	0.4
71.46619	0.6
77.03913	1.0
79.05506	16.0
81.07084	0.8
81.31062	0.4
84.08219	0.5
85.02922	0.5
86.93312	0.4
87.01765	0.4
89.03931	0.9
90.04693	2.1
91.05494	6.3
93.07120	0.5
95.04989	2.6
96.14937	0.4
101.95081	0.4
102.04703	0.9
103.05485	19.9
105.04544	1.3
105.07047	100.0
106.07391	1.3
107.04990	1.0
113.02392	0.8
115.05473	25.0
117.07023	1.2
118.04175	14.8
119.08607	5.0
121.06430	0.4
128.17332	0.4
131.04964	4.7
131.08623	0.6
132.05754	1.5
133.06514	54.8
133.10117	3.7
134.06871	0.5
143.04974	1.1
143.06029	5.7
143.08643	1.2
144.08119	0.7
146.03648	1.2
146.05583	0.8
146.07269	1.2
161.06007	20.6
161.07991	3.2
161.09653	6.5
161.10846	0.4
161.13275	3.1
162.09241	0.5
162.11298	0.7
171.05516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.34196	0.4
52.21743	0.5
52.29746	0.5
53.03957	0.9
55.01880	1.5
58.99586	0.6
69.55827	0.9
69.56237	3.3
72.08183	0.6
79.05505	4.1
81.07082	0.6
85.02955	0.7
90.04733	0.7
91.05485	4.9
95.05003	0.6
97.02914	0.5
103.05482	4.8
105.07038	37.0
115.05460	13.8
117.07027	1.0
118.04160	3.2
119.04962	2.0
119.08619	4.0
128.06242	0.6
131.04897	1.2
132.05733	0.6
133.06503	66.7
133.10155	2.3
142.04160	0.6
143.04938	2.5
143.06078	1.3
143.08453	0.5
144.08107	1.1
146.05603	0.7
147.04546	0.7
151.94336	0.5
161.05989	100.0
161.07909	4.9
161.09634	2.9
161.13251	3.4
162.06378	1.5
164.73457	0.5
171.05542	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
55.01863	0.9
55.05516	1.0
60.08148	1.4
63.89823	0.4
64.63647	0.4
67.05499	1.7
69.03436	6.7
70.84717	1.2
77.89439	0.4
78.93119	0.6
79.05489	1.6
81.07048	1.6
85.02914	0.9
88.02197	0.8
91.05489	7.2
93.07045	3.7
95.04985	0.5
95.08602	0.7
102.09187	0.6
103.03939	1.3
103.05460	1.1
105.03416	0.6
105.07037	30.8
107.04951	1.6
107.08540	0.5
113.02354	0.7
115.05453	1.3
117.07012	1.5
118.04182	0.6
119.04935	0.5
119.08591	10.0
119.95772	0.8
121.05668	0.8
121.06509	10.8
128.06232	4.6
129.07005	0.6
131.04944	1.9
131.08549	1.7
132.05679	1.0
133.06500	2.7
133.10136	21.8
143.08565	8.8
145.06490	2.4
146.07272	18.5
146.08437	1.0
155.06056	0.4
159.08043	1.5
161.06082	2.3
161.09624	100.0
161.13237	9.3
162.05507	0.6
162.10022	1.2
162.11273	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84858	0.5
53.03968	0.6
55.01880	1.2
55.05518	7.2
56.96582	0.7
59.22402	0.6
60.73849	0.6
67.05524	1.7
69.03436	0.8
69.07077	12.3
69.57513	4.1
72.08149	0.5
73.26635	0.7
77.03960	0.7
79.05498	4.6
79.26572	0.6
81.07088	4.3
85.02917	1.1
91.05499	11.5
93.07076	3.4
95.08616	0.9
97.02921	0.6
100.10588	0.6
101.95052	0.7
103.05484	3.9
104.06286	0.8
105.07049	64.8
107.08602	1.9
113.02425	1.7
115.03989	0.6
115.05462	7.4
117.07006	4.0
118.04150	0.8
119.01949	0.9
119.04995	1.5
119.08601	100.0
119.95876	0.6
120.08931	1.3
121.10160	1.1
131.04962	1.0
131.08592	5.2
133.06517	35.1
133.10150	29.8
141.72946	0.6
143.04968	1.0
144.08130	4.3
145.10039	0.6
146.05609	3.0
146.10947	2.3
159.11775	3.5
161.06004	51.5
161.07948	25.1
161.09637	6.2
161.13278	89.5
162.05386	0.8
162.11343	0.8
162.13626	1.0
171.05562	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	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49887	0.2
51.98814	0.2
56.83424	0.2
69.20400	2.1
69.31010	0.2
71.03003	0.3
74.01839	0.2
75.45502	0.2
75.54974	0.2
82.99847	5.5
83.99928	0.3
85.01415	0.4
85.29612	0.2
92.69848	0.3
98.05901	0.2
98.65417	0.2
101.00893	45.8
102.00945	2.2
103.02502	0.3
107.05250	0.5
111.00430	0.6
111.04462	0.6
116.05801	1.5
116.55879	0.3
119.01935	100.0
120.02011	3.9
121.02396	0.5
124.02446	0.4
125.02593	0.5
129.04695	0.3
137.02972	17.9
138.03081	0.7
142.03523	1.5
143.01945	0.5
143.03624	2.9
144.03279	0.5
160.04626	0.3
161.02975	7.3
161.04475	0.4
161.04718	0.5
179.04027	6.7
179.05571	0.4
183.42563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05510	0.8
56.96579	1.6
57.03439	1.0
60.95860	0.5
61.02936	0.5
67.05499	0.3
68.99776	0.4
69.03438	1.1
70.02017	1.0
70.99856	0.5
71.05006	0.5
72.08172	2.4
73.02927	0.9
75.01907	0.4
78.53008	0.3
81.03441	1.0
82.01443	0.9
82.99860	4.5
83.01311	0.3
83.04967	0.5
84.02455	0.4
84.08157	0.9
85.01410	0.4
85.02911	1.8
86.06082	0.4
87.04479	0.6
93.01901	0.5
93.03754	0.3
97.02904	2.2
98.97610	1.3
100.02473	1.5
100.07622	0.7
101.00901	42.7
101.95047	0.9
102.00956	2.1
102.96900	0.6
103.00633	0.6
103.02471	1.0
105.02134	0.3
105.07065	0.9
105.53458	0.4
106.52441	0.5
107.05264	0.8
110.01290	0.5
110.97621	0.4
111.00377	0.3
111.04472	0.9
113.00903	0.6
113.02406	0.6
114.04047	0.6
114.42786	0.3
115.01372	0.8
115.02442	1.1
115.03197	0.6
115.04008	0.4
116.05846	1.5
116.98639	0.5
119.01944	100.0
120.02015	4.3
120.54010	0.5
121.01642	0.5
121.03539	0.4
124.01872	2.4
124.52001	0.4
125.02626	0.6
126.56381	1.1
127.01596	0.3
129.01869	0.5
129.03978	0.9
131.01874	0.7
133.02501	0.6
133.03505	1.4
134.03593	0.4
137.02980	19.4
138.03111	0.7
140.03261	0.4
142.03517	2.0
143.01953	2.2
143.03612	3.5
144.03267	0.5
144.13849	0.5
145.03514	0.5
147.05074	0.9
149.03725	0.6
159.05051	0.5
161.02980	8.6
161.04483	0.4
161.09775	0.6
161.10988	0.8
162.03183	0.3
162.07652	0.5
177.04439	0.3
177.06091	0.5
179.04047	7.1
179.05614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1022
Annotation	Arecoline
Peak:m/z	Relative Intensity
53.03965	0.5
55.01881	0.4
55.05517	6.3
55.93529	0.8
56.05043	0.7
59.04998	0.5
60.04529	1.1
61.08982	0.4
64.34976	0.3
67.05502	1.7
68.05034	1.1
69.03442	0.9
69.07072	1.1
70.06590	3.9
70.95872	13.2
71.04999	4.1
71.14545	0.7
72.08137	0.6
72.93797	10.2
73.93857	0.6
74.93835	0.7
79.05499	4.7
80.05039	0.3
81.07037	0.5
82.02955	0.8
82.06591	1.7
84.04525	0.5
84.08160	1.1
85.06550	26.7
86.06077	6.0
86.09772	0.4
87.04469	0.9
88.96912	2.1
90.94839	1.6
93.07024	0.5
94.06550	0.5
95.04976	0.7
96.04514	0.7
96.05342	0.6
96.08144	3.5
97.06542	1.3
98.09701	100.0
98.21121	0.8
99.10018	0.5
106.06568	13.3
110.06049	2.3
110.07185	1.0
110.09704	0.8
110.27078	0.4
111.04413	0.5
111.08105	1.0
111.98486	6.9
113.96402	1.3
114.05542	0.6
114.09186	0.6
114.94820	0.4
114.96573	0.5
115.96401	0.6
120.04513	0.4
124.07603	43.3
126.09194	2.3
126.12903	0.4
128.07094	0.7
129.99532	2.1
132.95847	19.9
138.05501	0.9
138.09132	0.6
139.07561	0.7
150.96902	20.7
155.97411	2.8
156.06560	2.1
156.10216	21.8
156.13849	29.1
157.07611	0.6
168.98001	0.7
173.98535	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02339	0.7
53.03941	1.9
53.63956	0.6
57.03425	2.6
67.05511	1.3
68.99788	5.1
69.03436	36.1
69.80354	2.8
70.06597	1.3
71.01361	5.1
71.05001	1.1
71.06898	0.9
73.02943	4.5
76.93362	1.9
78.67207	0.7
81.07050	1.3
83.01359	3.7
85.02911	26.3
91.05488	2.3
95.01337	55.2
95.04955	1.0
97.02903	29.6
98.09698	2.0
99.00819	21.6
99.04470	0.9
99.10040	1.4
105.07044	2.8
113.02380	6.5
113.07925	1.1
114.05573	1.0
115.03960	4.0
117.07016	5.5
117.95988	2.1
119.08576	1.0
123.00799	100.0
129.06996	1.9
131.03363	0.9
131.08566	8.5
141.01839	25.3
144.09377	3.1
158.15437	4.0
159.02934	8.3
159.06868	0.9
159.08044	1.8
159.09224	2.1
159.11705	17.2
159.13039	0.9
159.15794	8.4
160.09814	0.7
163.53896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.029
Annotation	gamma-Oxalocrotonate
Peak:m/z	Relative Intensity
52.02339	0.7
53.03941	1.9
53.63956	0.6
57.03425	2.6
67.05511	1.3
68.99788	5.1
69.03436	36.1
69.80354	2.8
70.06597	1.3
71.01361	5.1
71.05001	1.1
71.06898	0.9
73.02943	4.5
76.93362	1.9
78.67207	0.7
81.07050	1.3
83.01359	3.7
85.02911	26.3
91.05488	2.3
95.01337	55.2
95.04955	1.0
97.02903	29.6
98.09698	2.0
99.00819	21.6
99.04470	0.9
99.10040	1.4
105.07044	2.8
113.02380	6.5
113.07925	1.1
114.05573	1.0
115.03960	4.0
117.07016	5.5
117.95988	2.1
119.08576	1.0
123.00799	100.0
129.06996	1.9
131.03363	0.9
131.08566	8.5
141.01839	25.3
144.09377	3.1
158.15437	4.0
159.02934	8.3
159.06868	0.9
159.08044	1.8
159.09224	2.1
159.11705	17.2
159.13039	0.9
159.15794	8.4
160.09814	0.7
163.53896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0759
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
51.14506	0.2
55.05506	0.2
56.96563	0.2
69.07046	0.4
69.95186	0.8
70.06573	0.3
71.04995	0.2
72.08150	0.7
79.05507	0.2
81.07057	0.3
82.06580	1.2
86.06038	0.3
87.04424	0.2
91.05479	0.3
100.07627	2.9
105.07042	2.2
114.05560	0.9
114.09187	1.1
115.05473	0.5
117.05765	2.5
118.06556	1.0
118.96783	0.2
119.08602	1.7
131.04991	0.2
131.07292	0.2
132.04411	0.4
132.08067	0.7
133.06502	2.1
133.10129	0.7
142.02196	0.4
142.08614	0.4
144.08096	0.3
145.05235	12.7
145.09729	0.2
160.07585	100.0
160.09726	2.9
161.05981	3.0
161.07962	1.3
161.09625	0.2
161.13277	1.5
171.05536	0.6
173.44872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40377	0.9
55.01864	3.9
55.05505	1.4
57.03443	6.8
58.99862	1.5
59.52206	1.5
61.02931	14.5
67.01883	1.7
69.79555	5.2
70.06589	2.0
70.95868	1.2
70.99863	2.6
71.02980	1.6
73.02916	3.4
77.00870	1.2
77.52216	0.9
78.52966	7.2
80.83182	0.9
82.01446	17.3
82.06569	1.8
82.99853	8.5
83.01495	2.3
83.06097	3.7
84.01169	0.9
84.08141	1.1
84.99258	2.1
85.02890	2.6
85.51918	0.9
86.52699	2.6
87.53457	1.8
89.00861	1.3
91.02460	1.7
92.52704	8.2
93.04515	3.4
93.53456	0.9
94.00862	2.8
94.52451	1.0
95.01330	5.8
95.06089	2.6
95.53277	1.1
97.01433	1.8
98.09699	93.4
98.52655	1.1
99.04504	1.1
99.51653	1.0
99.53463	1.1
100.02494	24.8
100.52446	1.5
101.00890	65.1
101.02547	5.8
101.53206	3.2
102.00951	1.7
102.02222	2.0
103.01374	2.7
103.02462	1.9
109.52964	1.6
110.02187	1.9
110.05983	2.2
110.07173	38.3
111.05553	1.0
111.98506	1.3
112.52424	1.2
113.00870	3.7
113.02361	1.8
113.05933	1.0
113.53211	1.2
114.00949	1.2
114.04050	8.1
115.01318	0.9
115.02435	7.1
115.04089	1.0
115.51031	1.0
117.01855	1.9
118.03529	5.7
119.01929	100.0
120.02026	3.1
120.03239	1.0
121.52929	1.1
124.01761	1.3
124.02488	12.1
126.09152	1.7
126.98793	3.1
127.03919	2.0
131.01923	5.5
132.02116	1.0
132.05058	4.7
132.95796	1.3
133.01685	0.9
133.03462	16.8
133.05147	0.9
134.03691	0.9
137.02980	13.2
138.05521	1.8
142.03510	63.5
143.01851	1.8
144.99815	3.6
145.03531	1.5
145.29178	1.0
150.00363	2.5
150.96904	1.4
151.04535	3.3
154.03488	1.4
156.05119	1.4
156.06511	1.5
156.07668	4.9
156.10193	5.0
156.13850	24.5
159.01437	1.1
160.04576	10.1
161.02927	1.6
165.05142	1.9
168.01451	6.8
168.99826	4.3
172.99269	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.097
Annotation	Methyl 4-hydroxypiperidine-2-carboxylate
Peak:m/z	Relative Intensity
55.01880	0.8
55.05511	1.5
56.96588	0.6
57.03441	1.1
57.04560	2.1
58.02958	0.6
58.06609	0.5
67.04253	0.6
68.05035	1.0
69.03436	0.8
69.07065	1.3
70.06577	2.1
70.74685	1.2
71.02989	1.0
72.08156	1.1
73.02927	0.4
74.07197	0.9
78.52983	0.6
78.82990	0.4
81.03417	0.6
82.01450	1.3
82.06586	33.1
82.99837	0.6
84.08137	1.0
85.02917	1.0
86.06076	4.4
87.04477	5.0
88.07648	2.4
96.08147	5.5
97.07695	0.5
100.02509	2.4
100.07624	100.0
101.00891	4.8
101.07961	0.8
104.07100	2.3
113.02410	0.5
114.05553	5.9
114.09174	8.5
115.02395	0.6
116.04745	0.7
118.03454	0.5
119.01926	7.0
124.02467	1.0
124.66649	0.5
125.07049	1.0
133.03448	0.8
137.02927	0.9
137.52409	0.6
142.03516	5.3
142.08658	7.1
160.06071	1.4
160.09702	77.6
160.10811	5.3
160.13344	1.2
161.02859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.05516	3.7
57.03426	1.1
59.04998	1.4
64.51884	0.7
65.03935	1.4
67.05510	51.3
69.03433	2.3
69.07066	3.1
69.26884	3.3
69.27307	3.2
70.95852	1.0
71.04998	3.9
72.93793	44.5
73.02895	1.1
75.97926	0.7
79.05484	2.4
81.03422	1.6
81.07065	14.5
83.04974	4.2
83.08639	0.8
84.97929	0.8
85.06522	1.9
90.94830	9.4
91.05482	4.0
93.07056	6.8
95.04980	12.7
95.08614	47.3
97.06526	2.1
98.09701	31.2
98.20911	2.3
99.04451	2.5
99.08050	0.9
105.07050	0.9
107.08598	16.7
108.95889	0.8
109.02911	1.7
109.06544	6.1
109.10164	100.0
110.07188	1.0
110.10477	1.1
111.04441	3.3
111.08080	2.0
113.05998	2.8
113.96410	37.0
118.76900	0.7
119.08595	6.3
122.07283	1.6
123.04427	2.5
123.86518	0.7
127.03929	2.5
127.07561	2.4
131.97453	14.9
132.95816	1.4
137.05974	1.6
137.09630	28.4
138.05467	0.8
140.04691	1.7
149.97238	1.2
150.96892	2.7
154.99062	1.4
155.03421	2.4
155.05959	1.6
155.07048	10.3
155.08549	2.1
155.10678	30.2
156.10220	1.4
156.13855	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07923	0.2
53.03951	0.3
54.13821	0.3
55.01863	0.2
55.05515	3.5
56.05028	0.6
57.03441	0.3
57.07078	0.5
59.05017	0.2
65.03938	0.4
67.05511	1.0
68.05032	0.5
68.96342	0.4
69.03408	0.5
69.07075	0.5
69.89832	0.7
70.06609	1.0
70.94240	0.3
71.04982	0.7
71.94113	1.0
72.93791	2.7
73.06526	0.2
79.05508	1.8
80.05017	0.6
80.05811	0.5
81.03429	0.3
81.07056	5.4
82.06583	0.9
82.07389	0.7
83.04991	0.4
83.07352	0.8
83.08624	0.8
84.04503	0.4
84.08134	0.7
85.06549	0.3
87.04482	0.6
90.51364	0.2
90.94823	0.7
91.05473	0.7
93.05795	0.6
93.07036	0.4
94.07364	0.6
94.88111	0.2
95.04970	1.3
95.08610	0.8
96.05308	0.6
96.08157	0.3
97.05279	2.4
97.06506	0.2
98.06065	2.0
98.06643	0.3
98.09699	1.7
98.21540	0.2
108.04496	0.3
108.08121	2.3
108.08910	0.6
109.06521	4.4
109.10155	0.9
109.98985	0.3
110.06046	2.8
110.52877	0.3
111.04470	0.2
111.06836	3.1
111.08037	0.2
111.88955	0.2
112.04784	0.3
112.07627	0.4
112.96728	0.5
113.06001	0.4
113.96407	2.3
118.06588	0.3
119.53384	1.2
124.07613	0.3
125.08376	1.0
126.05504	0.6
126.09169	3.8
130.96281	0.6
131.97424	0.7
136.07570	3.3
136.12016	0.6
138.05513	0.5
139.06285	3.8
148.97394	0.6
154.05241	1.5
154.08635	100.0
155.03325	0.3
155.07030	0.4
155.08987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46329	2.3
52.50231	1.9
55.05516	100.0
57.07087	16.3
67.05495	3.1
69.07074	58.0
71.08643	10.1
71.52826	3.5
81.07074	3.8
81.46581	1.8
83.08624	58.3
84.82465	1.9
90.22413	2.0
95.04994	2.9
95.08627	5.0
97.10175	67.0
107.08632	2.5
107.45232	1.8
111.08096	2.9
111.11726	4.9
125.40392	1.9
135.08049	2.4
136.03960	7.2
153.09117	3.1
153.10220	3.7
154.08647	5.4
154.09760	4.5
159.94688	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00310	1.2
53.03936	4.3
53.16815	0.9
53.44749	0.9
55.01870	1.5
55.05513	15.9
57.03420	3.0
57.07072	2.3
59.05008	8.6
64.29205	1.0
65.03944	8.4
66.04667	1.0
67.05512	10.6
69.03421	2.9
69.04544	0.9
69.07073	12.3
70.06574	1.2
70.94276	4.6
70.95857	2.3
71.04999	35.9
71.52024	1.0
73.06177	1.8
73.06560	21.4
79.05499	29.0
79.71501	1.0
81.03406	3.0
81.07063	100.0
83.04987	12.5
83.08620	2.5
85.06535	1.6
88.95326	1.4
91.05486	12.4
93.03407	9.1
93.07050	48.6
95.04976	100.0
95.08614	14.1
97.06536	16.1
105.07037	4.9
107.04977	6.5
107.08604	50.8
109.06525	12.4
109.10172	13.1
110.03632	2.0
111.03728	1.1
111.04452	13.5
111.08092	18.8
111.96864	4.2
117.06995	1.4
119.08581	1.9
121.02840	1.6
121.06473	1.1
123.08044	1.2
125.06008	8.3
125.09634	4.9
126.09095	1.0
129.97935	1.8
135.04396	2.4
135.08060	5.5
135.11694	37.3
136.03990	1.3
136.07584	1.7
138.03011	1.1
138.06773	1.0
149.51457	1.0
153.01869	3.5
153.05507	10.6
153.06610	1.8
153.09140	14.5
153.10242	2.9
153.12770	24.3
154.08644	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03949	3.3
55.05515	11.1
57.07096	1.4
59.05009	8.8
60.10959	1.0
62.15378	1.2
65.03938	1.5
67.05510	5.3
69.07072	7.6
70.46027	1.3
70.46373	2.8
71.05000	40.4
73.06564	21.1
73.88756	1.1
76.09370	1.1
79.05500	24.9
79.74091	1.1
81.07062	100.0
82.49462	1.5
83.08607	1.4
91.05489	8.6
93.07050	40.6
95.04959	1.8
95.08595	7.6
97.06561	6.1
105.07030	2.0
107.08596	36.3
109.10155	5.9
111.08083	4.3
119.08563	1.4
125.01537	1.2
135.11707	31.4
153.05423	1.2
153.12750	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	4.0
55.05513	13.7
55.27587	1.5
57.07085	2.3
59.05012	9.2
67.05508	5.5
69.07085	11.6
69.56144	8.1
71.04602	2.7
71.04999	46.7
73.06178	2.0
73.06563	24.6
74.86556	1.2
77.17773	1.2
79.05502	28.0
81.07065	100.0
91.05494	9.1
93.03400	1.5
93.07051	44.5
95.04964	3.8
95.08619	7.2
97.06538	6.6
98.20730	2.4
105.07007	4.1
107.08612	39.9
109.06528	1.6
109.10163	7.8
111.04486	1.6
111.08088	4.5
125.05986	2.3
135.11705	34.4
153.12761	15.1
173.77283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	3.1
55.05515	12.3
57.07075	1.2
59.05009	7.6
65.03930	2.0
67.05518	7.0
69.07066	9.9
70.84427	3.0
70.94253	1.8
71.05000	42.8
73.06561	22.6
79.05066	2.0
79.05499	25.9
81.07063	100.0
82.83480	1.2
83.04977	2.3
83.08619	3.2
85.06544	1.8
91.05472	7.6
93.03413	2.9
93.07050	44.7
95.04984	9.4
95.08602	8.8
97.06522	6.8
105.07049	3.0
107.08597	37.3
109.06559	1.9
109.10178	7.4
111.04489	1.2
111.08060	3.4
125.05990	1.7
135.11707	29.5
153.05435	2.1
153.12749	14.5
173.00423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1277
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.29328	1.3
53.00303	1.6
53.03952	2.8
55.05527	12.7
57.07092	2.8
59.05016	8.7
62.75242	1.2
64.46682	1.2
65.03954	2.3
66.25229	1.2
67.05512	6.9
69.07095	8.5
70.55733	2.7
71.04612	1.7
71.05007	43.6
73.06572	21.8
79.05505	25.1
81.07073	100.0
82.07405	1.7
85.06550	1.9
91.05496	7.4
93.03390	1.8
93.06486	2.5
93.07063	39.9
95.04988	2.3
95.08630	8.6
97.06559	7.9
105.07039	1.6
107.04986	1.9
107.08617	41.9
109.10168	10.0
111.04494	1.6
111.08099	5.5
119.08639	1.5
125.06017	2.0
135.11717	35.6
153.05505	1.3
153.09175	1.5
153.12764	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	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
50.39291	1.9
53.03946	2.7
55.05513	83.0
57.07076	21.0
65.05984	2.0
66.33282	2.1
69.06730	3.4
69.07072	45.1
69.20865	13.1
69.21294	7.5
71.08613	2.7
72.52644	1.9
81.07060	3.6
83.08621	100.0
93.04522	4.8
95.06088	4.5
97.10162	21.1
98.07190	6.8
121.04014	15.6
122.07121	2.4
139.04042	1.7
139.05008	9.7
139.05946	3.5
139.07578	4.4
139.08659	5.5
139.09625	2.5
139.12253	11.0
140.03470	2.0
140.08197	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0184
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
53.10483	0.6
57.03431	2.6
67.05531	0.6
68.99796	6.6
71.01376	0.8
71.52660	0.8
81.07054	1.0
85.02914	13.2
95.01342	100.0
95.08652	0.7
96.01668	1.1
97.02905	1.1
99.00835	4.2
112.08784	0.9
113.02375	6.5
123.00800	9.7
123.04490	0.8
141.01849	17.1
141.05513	1.0
141.06946	0.9
142.08672	0.8
148.35684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0548
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
50.02408	0.7
52.03139	0.8
53.03934	2.8
55.01871	1.9
55.05511	1.4
65.03925	1.8
67.05511	15.3
69.03436	23.3
70.06590	1.6
71.01369	1.6
71.04993	3.5
71.50812	0.9
81.03423	5.9
81.07061	2.3
83.04996	1.7
84.08140	0.8
85.02895	1.0
85.06538	0.9
85.07659	1.1
94.14486	0.7
95.04973	16.4
95.08600	8.0
96.08167	0.8
97.06534	1.9
98.97601	1.1
99.04469	4.7
99.08072	1.7
105.04514	1.1
109.02882	1.3
111.00827	10.2
113.02363	4.3
113.06000	1.7
114.09173	0.8
123.04443	56.1
123.08060	2.1
126.03175	4.7
131.32504	0.8
141.01871	8.2
141.05476	100.0
141.09123	2.8
142.05899	1.0
142.08669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95660	5.6
54.32248	5.1
62.51595	5.8
69.96072	27.1
82.99873	6.3
101.00891	55.4
119.01944	100.0
137.02946	11.6
139.31393	5.8
142.03516	39.8
160.04648	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47997	4.4
51.89078	4.4
55.60294	4.7
55.97739	4.4
58.01940	4.1
65.87421	4.3
69.03450	8.3
69.79395	24.4
70.06612	7.8
70.44648	5.1
73.29626	4.7
81.04563	7.5
82.99844	8.1
84.08131	6.2
96.04502	5.9
96.08172	7.3
101.00899	75.7
119.01929	100.0
124.02429	8.3
125.07099	5.6
127.24131	4.2
132.05008	4.3
137.02994	17.3
142.03535	46.8
142.08647	21.2
143.03392	27.6
160.04518	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91568	3.9
56.96552	4.6
63.39663	3.9
70.44283	13.5
75.31803	5.1
82.99857	5.3
100.67727	4.0
101.00900	64.9
119.01937	100.0
124.02455	5.7
124.78288	4.1
137.02957	13.6
142.03500	44.9
143.03400	4.7
149.23225	4.2
160.04547	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	142.0865
Annotation	Arecaidine
Peak:m/z	Relative Intensity
53.03931	0.7
55.01868	0.7
55.05508	1.1
56.05022	1.9
56.30224	0.6
56.96561	0.8
57.03436	0.8
62.05991	0.6
67.05497	1.0
68.05027	1.5
69.03438	3.4
69.05816	0.6
70.06584	2.1
71.04997	30.2
71.20543	1.2
72.04151	1.0
72.04520	10.1
79.05495	10.5
80.05015	0.8
81.03397	0.7
81.04493	0.7
81.07048	1.1
82.02934	1.8
82.06586	0.8
84.08146	2.7
94.06580	1.1
96.04488	1.9
96.08134	5.9
97.02895	3.2
97.06527	1.2
98.06017	0.8
98.97567	0.6
100.07591	1.0
100.97195	0.7
101.00893	1.1
106.06561	32.8
114.09187	3.8
118.96791	0.8
119.01931	2.9
121.42220	0.6
124.07598	100.0
125.02367	4.2
125.05993	1.3
125.07921	1.4
128.18864	0.5
137.29536	0.5
142.03462	1.1
142.04939	0.8
142.08643	31.4
142.12271	1.0
143.03400	20.7
143.08992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04235	0.6
70.71495	0.9
72.08160	1.3
72.85646	0.5
74.52348	0.4
82.06597	31.7
100.07639	100.0
101.07957	0.5
128.07104	2.3
134.47395	0.5
146.08154	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
50.61681	0.2
53.04322	0.2
67.04240	0.5
69.79462	0.4
69.79873	0.8
72.08158	0.7
80.13803	0.2
82.06583	33.2
86.06099	0.3
91.42748	0.2
100.07621	100.0
101.07961	0.8
107.58344	0.2
111.05499	0.2
124.36505	0.2
127.48067	0.2
128.07077	2.2
129.13428	0.2
132.54231	0.2
146.08127	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03942	0.2
55.05520	0.2
56.96564	0.5
60.24969	0.2
65.03934	0.5
67.05520	0.9
68.05019	0.7
68.05824	0.2
69.03439	0.3
78.03461	4.2
79.04218	0.9
79.05492	0.2
80.05020	0.5
81.07066	0.3
82.06584	0.5
92.04993	0.6
92.05820	0.2
93.03358	0.2
93.05788	0.3
93.07043	0.5
94.06590	1.6
94.07393	0.2
95.04993	0.4
95.07366	0.2
95.08582	0.2
96.04503	10.0
97.06575	0.2
98.98521	0.2
106.02913	0.2
108.04490	3.1
109.05260	0.3
110.06049	1.7
110.09668	0.6
110.10378	0.2
111.03181	0.5
111.04472	0.5
120.04471	0.5
121.02924	0.2
121.03999	0.2
121.06544	0.3
121.10128	0.2
123.03997	0.3
123.06819	0.4
124.03970	2.3
136.03928	0.2
138.05513	100.0
138.09056	2.5
138.12778	0.5
139.03923	0.2
139.05881	1.4
139.07588	0.2
140.03461	0.2
147.04572	0.1
150.06442	0.2
153.67668	0.2
154.05045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03952	1.3
55.01868	1.5
55.05513	10.4
57.03450	4.1
57.07074	1.8
59.04993	1.6
59.33472	0.8
65.00637	0.8
65.03950	4.7
67.05513	24.8
69.03424	2.5
69.07076	42.7
69.40811	0.6
69.55791	5.4
70.94267	3.8
70.95866	2.1
71.04990	3.3
71.94110	0.8
72.53624	0.7
73.06531	0.7
79.05500	24.5
81.07066	31.2
83.04984	6.1
83.08648	4.1
85.02911	1.2
85.06525	1.8
88.95275	1.3
91.05479	4.4
93.03419	3.9
93.07050	39.5
95.04979	3.1
95.08611	17.6
97.06538	21.0
98.21621	0.7
105.04534	0.7
105.07056	1.3
107.04963	3.3
107.08604	43.8
108.57905	0.7
109.06512	1.8
109.10163	28.5
110.03685	1.7
111.04457	8.7
111.08069	6.4
111.11753	1.3
111.96857	3.2
119.53399	1.3
121.02832	1.1
125.06005	7.0
125.06952	1.0
125.09623	1.4
126.09168	1.4
129.97874	1.2
135.04366	1.1
135.08133	1.7
135.11700	97.3
136.03934	3.9
136.07588	1.9
136.12021	1.5
138.03108	1.0
153.01820	1.1
153.05505	5.7
153.06483	1.1
153.07520	1.9
153.09099	3.7
153.10202	2.5
153.12755	100.0
154.04977	1.3
154.07335	0.7
154.08624	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03945	1.9
54.01939	1.3
55.01865	4.5
55.05513	10.7
56.96563	2.0
57.03425	4.4
57.07056	1.5
60.25444	1.2
65.03943	4.2
65.67030	1.3
67.05511	47.6
69.03426	6.2
69.07059	3.7
69.16058	5.0
69.16480	8.5
71.04984	2.1
79.05502	34.7
81.03434	2.4
81.07064	57.2
83.04990	17.1
83.15953	1.3
89.06042	3.4
91.05491	51.2
93.07056	35.5
95.04972	13.2
95.08616	18.2
97.06571	1.7
98.20712	3.0
105.07041	71.0
107.08607	100.0
109.06531	15.9
109.10161	35.0
109.97912	1.6
119.01810	2.0
123.04474	2.6
123.08051	7.4
123.11713	11.0
131.08557	3.5
133.10144	73.9
151.02910	3.6
151.03966	4.6
151.05972	1.8
151.07545	5.2
151.08571	2.8
151.11198	73.6
152.07097	2.8
153.76007	1.3
157.18073	1.3
163.02576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0552
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03952	3.1
56.96565	1.7
57.03427	0.9
57.44180	0.4
65.03953	2.9
67.05512	18.9
68.02650	0.4
68.20496	0.4
69.03434	1.2
69.69571	1.0
69.69970	2.3
79.05515	2.9
80.05027	1.2
81.03427	2.4
82.01456	1.2
83.79768	0.5
87.04456	0.7
90.52955	0.6
93.05801	1.1
94.06581	53.7
96.01554	0.6
96.04510	1.0
98.21490	0.8
100.02507	1.7
104.52672	0.6
106.06573	14.6
108.04472	2.4
109.02887	0.5
109.05217	0.6
118.01085	0.8
118.03487	0.6
122.06048	31.1
127.07123	0.6
134.06044	0.7
141.02740	0.9
145.03445	0.6
148.03960	1.3
150.05525	100.0
150.07681	13.8
151.05876	1.5
151.65633	0.7
168.06561	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03953	2.1
53.89603	0.9
55.01861	1.9
55.05503	3.0
55.55177	0.9
65.03615	1.8
65.03948	30.3
67.05513	14.4
69.07065	7.4
69.47437	4.2
69.47845	2.2
74.47281	0.9
79.05502	18.2
81.07067	33.9
83.08625	2.1
91.05486	9.0
93.03432	5.8
93.07058	32.1
95.04965	1.3
95.08630	4.7
98.21526	1.8
101.84996	1.0
102.24239	0.9
103.05454	2.5
105.04523	1.0
105.07044	2.7
107.04940	3.2
107.07881	1.7
107.08604	27.5
107.77126	0.9
108.04478	1.9
111.04478	2.4
116.53475	1.0
121.02011	2.1
121.02883	38.3
121.03989	11.8
121.06516	1.6
121.10147	10.7
122.65723	1.0
149.02361	100.0
149.06029	3.7
149.09697	4.7
149.10628	1.0
149.13272	25.0
150.02773	1.4
150.05464	1.6
150.09096	1.6
161.86478	1.1
167.03394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0812
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
55.88897	0.3
63.97242	0.3
67.04255	0.9
71.52287	0.4
71.52605	0.4
72.08147	0.9
75.72242	0.3
82.06586	32.1
83.06934	0.5
100.07621	100.0
101.07958	0.9
128.07098	2.0
134.88664	0.3
136.58061	0.3
146.08130	37.3
147.08484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.42837	1.5
51.13321	1.3
53.03933	3.2
55.01875	11.9
55.05506	3.2
64.69765	1.3
65.03945	27.5
67.05504	4.4
69.03448	3.0
69.07076	3.1
71.51878	2.2
78.04707	1.6
79.05503	32.0
81.03426	2.0
81.07059	5.2
89.03925	6.9
91.05492	36.5
93.03413	9.8
93.07055	42.1
95.04971	4.5
100.21712	1.3
103.05473	8.7
105.04464	1.6
105.07037	30.2
106.04184	2.1
107.04961	13.3
107.08604	40.9
109.06528	2.5
111.04472	4.4
115.05422	1.4
116.06252	4.0
117.03381	5.3
119.08557	2.0
121.02882	38.0
121.03991	12.3
121.06509	12.7
121.10135	19.4
129.07034	4.1
131.04910	7.5
131.08580	26.8
133.06433	2.3
133.07571	2.1
134.03676	2.3
134.07236	1.6
149.02361	100.0
149.05988	16.8
149.09642	72.6
149.13287	6.6
150.05539	2.2
164.93152	1.4
168.56717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0814
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
61.18624	0.4
67.04262	0.7
71.29996	0.6
72.08152	0.8
79.93753	0.4
80.59946	0.4
82.06586	32.1
83.06918	0.4
84.64529	0.4
90.40734	0.4
100.07626	100.0
101.07941	1.1
114.77337	0.4
128.07124	2.5
146.08131	43.2
147.08536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.51475	0.7
53.03940	1.8
55.01863	1.1
55.05507	2.6
57.07079	6.1
57.75178	0.7
65.03912	2.2
66.04715	3.2
67.05185	1.1
67.05508	15.8
69.07074	5.3
71.52161	1.2
77.03912	1.0
79.05498	8.7
81.03428	4.0
81.07063	48.0
91.05506	7.0
91.34472	0.7
93.07053	5.5
94.03611	1.5
94.04195	28.0
95.04958	2.2
95.08614	54.2
96.08950	1.1
107.02969	0.8
107.04951	2.5
107.08573	0.9
109.06553	4.3
109.10159	6.9
109.46164	0.7
114.75111	0.8
119.04911	1.0
119.08584	1.1
121.88046	0.7
122.03656	45.1
122.07303	1.7
137.02399	13.0
137.05977	100.0
137.09598	6.6
137.10661	1.3
137.13258	10.6
138.02756	0.7
138.05453	1.7
138.06374	1.4
138.09158	1.1
143.47153	0.7
159.22253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.01424	0.2
53.03925	0.2
65.03928	0.6
67.05508	0.4
70.41239	0.6
78.03455	0.6
92.05016	6.0
93.05804	0.6
94.06576	12.7
96.04502	1.1
98.20744	0.3
102.36884	0.2
110.06044	6.3
136.03903	0.4
138.05511	100.0
139.05878	1.3
154.05005	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.37120	1.0
53.03939	4.3
55.01636	1.6
55.01880	20.9
55.05511	2.1
65.03945	9.1
67.05511	8.2
69.03435	19.8
69.07053	1.3
71.51772	1.5
73.23595	1.1
79.05499	62.3
90.38863	1.2
91.05487	100.0
92.06245	2.0
93.06505	1.5
93.07056	18.9
95.04967	8.9
99.21362	1.2
100.09618	1.0
103.05498	1.7
105.04511	2.4
105.07039	37.6
105.98279	1.0
107.04967	9.2
107.08604	85.0
108.08974	1.4
109.06526	12.4
109.75331	1.0
115.04699	2.4
115.05463	31.2
117.07024	37.9
119.03574	1.8
119.06059	11.2
119.08585	4.8
120.05725	3.4
121.24409	1.2
135.04491	6.5
135.05489	2.5
135.08066	71.0
135.11707	7.8
136.02182	15.3
136.06203	35.7
136.07446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05166	0.1
56.95145	0.1
67.02975	0.2
71.20044	0.2
76.46635	0.1
82.04070	0.1
85.77637	0.1
91.05492	0.1
92.02471	0.4
94.04060	2.4
109.05135	0.4
113.00880	0.1
119.03558	8.6
124.88859	0.1
131.01936	0.2
136.06198	100.0
137.04616	3.0
137.06630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
67.02986	0.3
69.54394	1.2
69.54715	0.3
92.02507	0.2
94.04056	2.6
109.05160	0.3
113.00887	0.2
119.03562	8.2
131.01884	0.3
136.06197	100.0
137.04601	2.4
137.06641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.4
53.68129	4.7
55.01878	9.4
55.05500	4.7
56.96562	7.0
67.05505	16.4
69.03413	5.6
71.38371	12.2
72.53001	5.5
77.00890	5.4
78.52977	11.5
79.05498	14.4
81.03422	13.2
81.07058	23.1
82.01453	31.2
82.31663	4.8
83.04995	5.3
85.01419	12.1
85.53747	5.2
86.00948	4.9
87.50048	9.4
88.02676	5.2
90.52952	6.6
91.05495	19.1
91.53740	6.9
93.07066	25.7
95.04985	8.3
95.08622	10.0
96.50542	14.2
97.00132	14.7
99.53442	8.6
100.02487	75.2
100.04520	5.2
100.72636	5.7
101.00930	5.5
102.02266	6.6
103.02461	12.5
105.04494	7.3
107.08607	5.3
109.06524	9.8
109.10143	5.9
111.02807	11.0
111.04270	5.5
113.00868	10.8
113.53214	19.2
114.01001	17.9
114.03231	7.2
114.06065	23.9
114.53128	9.5
114.53908	6.5
115.01223	70.0
115.02393	34.0
117.04013	13.8
118.03550	20.6
119.01962	23.3
120.98938	6.2
123.04359	6.1
125.02553	15.6
131.01917	21.4
132.02011	100.0
133.02251	29.9
133.03485	80.7
137.02382	15.2
137.05911	27.3
137.10735	8.7
150.03075	19.7
150.50951	5.3
151.04507	12.6
152.07115	9.6
155.01892	10.4
155.03593	7.9
156.05051	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75856	2.9
53.19268	3.0
55.01869	8.2
56.96579	4.9
57.03446	60.5
58.49638	3.6
61.02920	11.3
68.02628	5.1
69.03420	15.7
69.67333	10.7
69.67746	10.4
70.99854	7.5
72.52974	14.5
73.02924	18.5
77.52189	12.8
78.52979	18.7
79.02161	6.8
81.03405	7.9
82.01448	24.8
82.99839	5.5
83.52214	4.5
84.52965	8.4
85.02927	6.0
85.51917	5.1
85.53739	8.6
86.03745	4.2
86.52714	63.8
86.99323	5.4
87.02793	7.9
88.02695	27.3
88.52776	4.1
90.52967	6.2
93.01897	9.5
93.53465	9.3
95.53252	17.8
97.01453	5.8
98.52694	5.5
99.53491	8.4
100.01871	5.4
100.02494	58.3
101.00903	63.0
101.02586	5.5
102.00970	7.5
102.02386	15.7
110.54510	4.6
111.02927	13.7
113.00892	22.0
113.53206	6.9
115.02436	12.0
118.03534	16.7
119.01943	75.6
119.53396	7.7
120.02057	6.8
121.01653	6.5
122.53734	10.6
124.02467	33.7
131.01917	46.5
133.03499	6.8
134.06003	9.3
137.03058	7.0
141.02811	3.5
142.03519	100.0
143.01921	35.9
143.03558	8.8
145.03424	7.9
147.01471	4.2
149.03040	4.5
154.03482	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.53508	0.7
53.03941	2.3
53.26189	0.5
55.01860	1.0
55.05517	1.4
56.14301	0.6
57.04262	0.7
57.07083	6.8
64.95020	0.6
64.97742	0.6
65.03926	1.7
66.04718	2.3
66.19309	0.6
67.05195	0.7
67.05518	12.1
68.05803	0.6
69.03430	1.4
69.07059	2.8
71.52367	0.9
74.06020	0.6
79.05145	0.6
79.05511	6.6
81.03413	1.1
81.07069	32.8
91.05502	7.8
93.07047	5.4
94.03615	1.2
94.04202	23.3
95.04954	2.1
95.08621	41.5
96.04521	0.8
105.04568	0.8
107.04975	1.8
109.06544	5.5
109.10189	4.9
110.09648	0.8
119.04980	1.4
119.08610	1.2
122.03667	41.7
122.07278	0.8
123.03984	1.2
136.52896	0.7
137.02528	5.2
137.05986	100.0
137.09621	6.9
137.10638	1.1
137.13264	7.6
138.04601	0.7
138.05511	3.4
138.06425	0.9
138.09146	1.8
141.24873	0.6
144.54660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03940	6.7
55.01865	4.7
55.05513	14.0
57.03446	15.1
58.51549	2.1
59.04999	2.5
63.21756	2.0
65.03959	4.9
67.05513	100.0
68.05836	2.2
69.03439	28.4
69.07076	20.4
69.11449	2.1
69.68999	7.9
69.69411	4.9
71.04992	6.8
79.05504	52.7
79.42690	2.3
80.72134	2.0
81.03425	26.0
81.07066	50.4
83.31513	2.1
89.31452	2.3
91.05491	56.2
93.07057	27.3
94.04176	4.0
95.04974	24.7
95.08616	35.0
98.20716	4.0
107.04958	2.3
107.08601	7.6
109.06513	11.6
109.10175	30.3
117.07018	4.7
119.08591	21.1
122.03638	6.1
128.42934	2.2
137.02402	10.2
137.05858	20.7
137.09636	67.9
137.10690	2.8
138.05524	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.78934	0.2
51.02395	0.3
51.98720	0.3
53.03950	0.9
55.01875	0.4
55.25693	0.2
62.94718	0.2
65.03944	0.8
66.04730	2.9
66.07037	0.2
67.05512	0.5
67.16122	0.2
67.46529	0.2
69.77859	0.3
69.84052	1.2
77.03934	0.5
79.05488	3.0
81.07069	2.2
91.05486	2.8
93.07058	0.5
94.04192	27.9
95.04974	0.7
95.08651	0.5
98.21516	0.3
100.64227	0.2
105.03404	0.4
107.04971	1.3
109.06536	0.8
122.03657	46.1
123.03967	0.7
135.04474	0.5
137.05986	100.0
138.06323	1.8
148.02974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.7
53.03952	5.5
55.01878	0.8
55.05493	0.5
56.01172	0.7
61.69835	0.5
65.03933	1.6
66.04726	3.1
66.91695	0.5
67.05496	2.3
68.99771	0.6
77.03939	1.1
79.05499	19.7
81.03419	1.0
81.07059	12.7
87.86993	0.5
91.05486	4.1
93.07036	1.7
94.04200	12.6
95.04994	3.1
95.08606	3.6
105.03386	1.9
105.04507	2.0
107.04931	0.7
109.06528	43.5
109.10158	0.8
119.04953	0.7
119.08557	0.7
122.03618	2.0
129.82005	0.5
136.36340	0.5
137.02480	3.9
137.05980	100.0
137.09544	2.7
138.05484	1.4
138.06396	1.3
138.09128	0.9
139.74706	0.5
151.73022	0.6
159.40186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	0.9
54.56585	0.3
55.05502	0.3
59.84890	0.3
65.03946	0.9
66.04729	3.1
67.05518	0.4
70.12614	0.5
71.78300	0.2
72.85359	0.3
77.03944	1.0
79.05501	3.3
81.07061	1.1
90.78757	0.2
91.05488	2.8
92.70568	0.3
94.04192	28.6
95.04983	0.7
105.03402	0.5
107.04983	1.4
109.06534	0.6
122.03656	46.8
123.04008	0.7
135.04407	0.5
137.05986	100.0
138.06305	1.4
158.79692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02383	1.4
53.03743	1.0
53.03951	10.8
55.01875	1.9
55.05517	11.0
57.07061	3.7
65.03928	2.7
66.44888	0.9
67.05510	52.6
69.07066	1.2
69.53999	0.9
70.54146	0.7
77.03928	2.0
78.03455	3.4
79.05087	0.9
79.05506	15.8
79.05928	0.6
80.05022	31.2
80.06274	1.1
81.03422	2.4
81.07062	60.1
82.01443	6.1
82.06563	2.2
91.05486	2.0
93.07056	9.3
95.04977	72.7
95.08615	63.5
96.04491	10.2
96.05085	1.2
96.08123	2.1
97.05332	1.0
100.01865	1.5
100.02493	21.2
105.03400	1.8
105.04534	5.0
105.07060	5.8
106.02937	1.8
106.88295	1.0
108.05750	2.7
112.03974	1.8
118.03529	9.0
119.01936	1.3
121.10104	1.1
123.04449	25.7
123.05556	100.0
123.08071	53.1
123.09088	2.3
123.11716	18.1
124.03979	11.9
124.07600	5.0
124.08384	1.2
140.03389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37084	0.5
53.03947	3.0
55.05513	4.3
57.07076	2.9
59.13289	0.6
61.09229	0.6
65.03938	1.5
67.05508	21.4
69.03438	0.7
69.07072	1.9
70.82250	1.3
77.03967	0.9
78.03460	0.9
79.01876	0.7
79.05125	0.4
79.05498	14.6
80.05020	14.9
81.07059	100.0
82.01448	2.0
82.07386	1.6
89.33681	0.5
93.07055	2.1
94.07793	0.8
95.01314	1.7
95.04975	17.2
95.08617	14.1
96.04488	5.7
98.20794	0.5
99.80648	0.6
100.02502	5.2
104.43581	0.6
105.04533	0.7
105.07032	0.7
106.02891	1.1
108.05746	0.8
112.03940	0.9
118.03543	2.1
121.10106	0.8
123.04468	6.4
123.05558	54.6
123.08069	8.8
123.09123	1.3
123.11711	23.7
124.03970	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	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03952	7.3
55.05515	5.1
57.07082	6.3
65.03944	2.1
67.05512	20.6
69.07069	2.7
69.33349	1.1
69.33755	5.0
69.43900	0.7
77.03935	1.8
78.03455	1.0
79.05495	13.1
79.05919	1.1
80.05025	13.7
81.03426	1.4
81.07065	100.0
82.01465	3.6
93.07040	1.8
94.07870	1.2
95.04977	60.2
95.08616	18.6
96.04491	6.0
100.02490	8.0
105.04523	3.7
105.07027	2.2
106.02921	0.9
108.05765	1.6
116.97103	0.8
118.03532	2.9
123.04453	19.9
123.05566	43.0
123.08070	17.7
123.11721	35.8
123.12432	0.6
124.03960	7.3
124.07582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06545	0.2
56.19781	0.3
56.96565	0.3
58.06603	0.5
59.07399	0.2
67.05537	0.2
70.72283	0.5
70.99876	0.3
78.06329	1.6
80.05064	0.3
82.01472	1.4
82.99850	7.3
83.01518	3.8
84.01243	0.4
89.08424	0.2
97.05280	0.6
100.02499	1.7
101.00894	56.1
101.02567	5.7
101.21738	0.2
102.01006	0.9
102.02257	0.8
103.01327	0.3
110.01250	0.2
110.04549	0.3
111.00472	0.8
117.10366	0.3
118.03563	0.5
119.01936	100.0
120.02056	1.1
121.02393	0.4
122.93567	0.3
124.02438	1.7
124.03967	0.9
124.05881	0.3
124.07564	0.4
133.03528	0.3
137.02969	15.6
138.03084	0.3
142.03510	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	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92076	0.6
53.03946	1.1
54.36279	0.6
55.05515	19.1
57.07084	6.9
58.06583	1.1
58.25906	0.7
66.82182	0.9
67.05494	2.7
69.07072	100.0
70.07384	0.8
70.77576	2.0
82.06577	1.9
83.06105	1.6
83.08628	21.4
83.09130	1.1
84.06440	0.9
84.08135	0.9
97.07676	1.1
101.19601	0.8
108.04510	2.1
123.35341	0.7
125.06064	0.9
125.07137	2.6
125.08278	3.3
125.09093	10.2
125.10745	5.4
125.11573	1.2
126.05508	1.7
126.09196	1.9
126.10251	1.0
126.14714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03938	1.3
55.01882	1.8
55.39980	0.3
57.03420	0.4
68.99786	0.6
70.62310	0.7
70.62651	0.3
71.04996	0.9
81.03419	3.2
81.07047	0.3
83.83303	0.3
85.02885	1.1
85.06519	0.3
99.04458	0.5
109.02893	8.4
127.03925	100.0
128.04297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0393
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03946	1.6
55.01881	0.9
63.00175	0.2
65.06444	0.2
67.44821	0.2
68.70334	0.2
69.03416	0.2
69.96648	0.5
69.97038	0.3
71.01360	0.2
71.04983	0.6
81.03428	2.7
81.07050	0.2
85.02926	0.5
99.04456	0.5
109.02141	0.3
109.02892	5.9
127.03925	100.0
128.04234	1.3
137.58859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05000	0.3
64.36539	0.3
69.07079	6.2
70.45013	1.1
86.06063	0.7
86.09712	100.0
87.10036	0.8
123.07911	0.3
132.10240	1.6
144.28192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03945	1.3
55.05513	2.2
55.93026	0.5
63.04382	0.4
67.05526	0.5
69.69664	2.4
77.03926	0.6
79.05501	5.6
88.96066	0.4
91.05492	19.2
93.07065	5.4
95.04982	1.2
98.21493	0.7
103.05473	2.7
105.07043	64.8
106.07372	1.0
107.08603	1.4
115.05460	5.2
116.06264	1.0
117.07047	5.7
118.07816	7.0
129.06979	0.9
131.08591	7.6
133.06525	2.1
133.10147	100.0
134.10483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03943	1.0
55.05515	2.5
59.01258	0.4
60.65646	0.4
67.05472	0.4
67.14284	0.4
67.67860	0.4
69.25536	0.5
69.96356	2.2
76.70108	0.5
77.03941	0.5
79.05505	5.3
80.05760	0.5
80.24757	0.4
81.03439	0.5
91.04903	0.9
91.05485	18.2
93.07045	4.3
95.04983	0.8
98.20898	0.6
103.05499	2.2
104.06236	0.5
105.07038	51.9
106.07396	0.9
107.08566	0.9
112.02174	0.5
115.05448	5.0
116.06281	1.1
117.07020	5.0
118.07816	6.5
129.06976	0.5
130.09332	0.5
131.08582	7.4
133.06511	1.4
133.10141	100.0
134.10493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03950	1.2
55.05503	1.7
61.96598	0.6
65.03943	0.6
66.52730	0.5
68.18893	0.6
69.40214	1.6
69.40622	2.7
79.05500	4.7
91.05489	16.2
92.94395	0.6
93.07065	4.5
103.05468	2.5
104.76027	0.6
105.07040	54.6
106.07363	0.9
107.08622	1.4
115.05466	4.9
117.06997	4.7
118.07823	5.2
129.44878	0.7
131.08575	6.1
133.06494	2.0
133.10143	100.0
134.10483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01860	7.2
56.96567	5.0
57.03441	65.5
58.99860	5.8
61.02917	8.3
65.52209	6.1
66.91366	3.2
68.93176	2.7
68.98277	4.2
69.03436	15.6
69.95424	10.1
70.99852	7.4
72.52959	13.4
73.02930	20.1
74.06075	3.6
77.00888	3.5
77.52195	17.5
77.52576	3.9
78.52972	16.7
79.02151	4.2
80.52701	3.9
81.03407	10.7
82.01452	29.5
82.99841	9.6
83.01536	4.0
84.52946	6.3
85.02919	8.4
85.18420	2.4
85.51926	3.1
85.53717	8.1
86.52194	3.1
86.52707	61.2
86.99338	3.8
87.02814	4.3
88.02677	25.2
88.52814	2.6
89.00877	4.5
90.52958	7.2
92.52673	6.6
93.01873	6.7
93.53474	11.0
95.53239	22.4
96.03326	2.7
97.01399	3.3
97.02892	6.5
98.52683	4.7
99.53468	9.7
100.02484	47.8
100.03512	3.3
101.00211	2.9
101.00887	60.4
101.02534	4.7
102.00952	8.4
102.02409	14.4
103.00623	4.9
104.52682	2.7
106.06523	2.9
108.53979	3.3
109.02889	3.3
110.52836	3.7
111.02929	17.3
113.00871	20.9
113.53201	5.3
114.04002	2.6
115.02460	13.0
118.03554	13.7
119.01926	82.0
119.53391	21.8
120.02037	11.3
120.03443	4.2
121.01638	8.5
123.05313	3.3
124.02479	31.2
125.02558	4.6
128.01967	5.4
129.03934	4.3
131.01901	37.0
132.01982	3.4
133.03458	9.6
134.05989	4.2
136.02473	4.8
137.02943	8.3
141.02759	3.0
142.03513	100.0
143.01910	25.2
143.03625	14.1
144.03233	5.1
145.03450	5.5
147.01299	5.5
147.05000	3.9
149.02911	4.1
154.03490	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99855	3.8
59.52190	5.1
60.55234	2.6
63.25054	2.8
65.52177	3.3
67.05504	5.3
68.52717	2.6
69.03432	80.8
69.57188	2.6
71.02991	12.1
71.15193	4.9
78.52969	19.2
82.01450	71.9
82.99841	7.5
83.01536	9.9
84.52973	4.3
85.01435	4.0
85.53744	4.2
87.53488	16.0
91.05482	5.6
93.53474	13.0
96.24713	2.5
97.66763	2.6
100.02491	100.0
101.00890	49.5
101.02542	13.9
102.02223	5.2
103.02472	7.7
107.05280	6.6
107.53204	11.4
116.53751	7.1
118.03533	23.4
119.01929	96.2
119.03687	4.2
126.04034	3.1
133.03496	7.6
137.02965	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	119.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79510	0.9
54.31091	1.2
55.01879	1.7
56.46681	1.1
56.96558	3.4
58.99855	1.9
59.52222	1.6
65.03941	1.1
65.52187	1.6
65.78434	1.0
67.05501	1.9
69.03436	24.6
69.07072	2.4
70.03739	1.1
70.23476	1.1
71.02993	3.9
72.52954	1.2
78.52961	5.8
82.01449	21.5
82.99863	6.3
83.01525	2.0
84.01211	1.7
84.08144	1.2
84.52968	2.2
87.53482	2.6
91.05479	4.4
92.02479	1.4
93.53490	3.3
100.02487	35.9
101.00889	52.3
101.02610	2.5
102.02246	2.2
103.02441	2.2
104.52902	1.7
107.04899	1.1
107.53226	3.1
111.44270	1.1
115.01223	1.3
115.02444	2.1
118.03539	12.3
119.01934	100.0
119.03558	12.8
120.02006	1.7
124.02488	1.0
131.01945	2.7
133.03490	2.9
137.02962	15.1
138.04105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02380	0.3
53.03944	1.5
55.40837	0.3
60.64119	0.2
65.03949	2.4
69.92207	0.3
77.03930	0.7
78.04718	0.8
79.05067	0.5
79.05503	5.4
91.05490	74.3
92.05811	0.8
93.07052	4.0
95.04967	1.3
103.05476	8.0
104.06264	8.0
105.04539	0.8
105.74577	0.3
109.06533	0.5
115.05475	3.7
117.07032	19.0
118.07405	0.4
119.04930	1.2
119.08592	100.0
120.08910	1.0
122.08317	0.3
135.52144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.52950	0.4
56.51567	0.5
65.03934	2.0
71.37291	0.5
78.55556	0.5
79.05500	5.5
91.05490	75.3
93.07052	4.0
95.04977	1.7
99.88956	0.5
102.04733	0.4
103.05479	8.7
104.06258	9.1
104.06912	0.8
105.04565	0.6
109.06506	0.7
115.05465	4.2
117.07030	28.6
119.04964	1.4
119.06101	1.6
119.08593	100.0
120.08958	0.9
131.06050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0653
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01610	0.9
51.02393	1.9
53.03718	1.1
53.03958	20.9
55.01868	2.6
56.96568	2.2
65.03959	8.1
69.73169	1.5
69.73549	4.2
73.47429	0.9
74.38945	0.8
77.03945	3.4
79.05502	4.1
79.98849	0.8
81.03430	1.7
91.05497	53.0
93.07056	65.5
94.07385	1.2
95.04982	22.3
98.21436	1.0
102.04691	1.6
103.05487	94.5
104.05817	2.3
105.04534	11.0
105.07045	6.0
105.07659	1.1
111.04479	2.5
119.08626	0.9
121.02892	16.8
121.04070	5.5
121.06527	100.0
121.10184	3.8
122.06866	1.1
122.09660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
52.96097	0.8
53.03951	10.7
55.05514	4.2
61.51214	0.8
65.03934	3.4
67.05516	1.6
71.51827	0.9
71.52315	1.4
77.00448	0.8
77.03922	2.7
79.05503	45.9
80.06258	1.3
80.43745	0.9
81.03410	1.4
81.07066	3.1
90.49792	0.8
91.04911	1.4
91.05492	34.5
93.07054	80.9
94.07384	1.1
95.04975	7.5
103.05488	19.2
104.77470	0.9
105.04560	4.6
105.07041	100.0
106.07869	7.1
119.08591	13.5
121.02891	6.4
121.03977	2.9
121.06538	13.8
121.10155	92.0
122.10484	1.4
123.08073	10.2
133.07645	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
58.99876	1.2
60.58209	0.4
67.05512	0.4
69.43759	0.4
70.91380	1.0
77.00878	0.5
78.76014	0.4
80.05024	1.2
81.07070	0.6
82.01453	58.6
82.99853	2.0
83.01539	1.2
95.04987	2.4
98.20853	0.5
100.02492	100.0
101.00891	16.4
101.02576	1.7
118.03532	26.1
119.01934	31.6
123.04040	2.1
123.05552	3.1
124.02489	0.5
124.03993	0.5
131.75259	0.4
137.02980	5.0
142.03514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84952	0.9
55.16200	1.1
57.03410	1.0
58.99850	1.1
62.57277	1.0
69.47562	1.0
70.55200	2.1
70.55569	2.1
78.06313	2.3
80.04994	2.3
82.01450	58.0
83.01529	1.2
86.65630	0.9
95.66339	0.9
100.02486	100.0
101.00893	6.2
101.02588	1.9
109.01254	1.1
117.10169	1.0
118.03535	25.0
119.01929	11.8
123.04093	1.8
123.05542	8.5
124.03963	1.2
137.02977	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40966	0.6
58.99858	1.0
70.46774	1.5
70.47137	1.3
82.01451	56.1
83.01543	1.0
100.02492	100.0
101.00894	7.1
101.02600	1.2
118.03534	26.9
118.41646	0.8
119.01929	15.8
123.04081	1.2
132.99265	0.9
137.02974	2.9
138.34622	0.7
142.03561	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57920	0.7
58.06598	1.0
58.99858	1.1
70.14193	2.3
70.14567	1.4
70.50616	0.7
78.06333	2.4
80.05013	1.5
82.01454	61.6
82.99842	1.2
83.01534	1.1
88.30617	0.7
89.15831	0.9
90.71175	0.7
90.71794	0.7
95.77517	0.7
96.30714	0.8
100.02495	100.0
101.00889	16.6
101.01507	1.3
101.02555	1.1
110.40720	0.8
113.53271	0.7
117.10265	1.9
118.03539	23.1
119.01938	26.8
123.04113	1.2
123.05551	6.0
137.02954	5.2
141.05148	0.8
142.03540	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02395	0.7
53.03712	0.8
53.03954	11.5
53.28137	0.5
55.01883	4.1
55.05514	6.5
63.39795	0.5
64.00760	0.6
65.03951	4.4
66.04720	0.9
67.05510	68.7
69.07060	4.9
69.57458	3.1
77.00208	0.7
77.99941	0.8
79.05501	33.4
80.06272	0.8
81.03426	22.2
81.07063	52.6
86.00715	2.2
86.50658	0.6
87.00482	3.7
91.05491	9.3
94.04201	3.5
94.07828	0.7
98.20746	0.7
107.05014	1.4
107.08606	3.0
109.02883	3.7
109.06528	100.0
109.10165	49.6
110.06064	1.5
110.06823	0.6
111.96918	0.5
113.96417	1.5
117.74380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03717	0.7
53.03951	11.8
55.01875	3.8
55.05510	3.1
63.28377	0.5
65.03939	3.7
65.99300	0.7
66.04726	0.8
67.05509	38.0
69.07064	2.2
70.80286	1.1
71.94100	0.7
74.99817	1.5
77.00171	0.7
77.50105	0.7
79.05498	27.9
81.02937	0.8
81.03421	18.9
81.07063	38.7
85.67477	0.5
86.00698	3.2
86.50623	4.2
87.00477	5.4
91.05484	8.5
91.18694	0.5
92.10989	0.5
94.04190	2.3
95.51196	0.5
98.51251	0.8
105.04507	0.6
107.04966	0.8
107.08609	1.6
109.02912	4.2
109.06525	100.0
109.10163	23.4
109.10932	0.8
110.06052	2.0
110.06805	0.9
111.96880	1.4
112.96732	1.6
113.96403	1.8
129.97885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03958	6.4
55.01886	0.5
55.05520	7.1
59.23830	0.5
61.13322	0.4
65.03947	3.7
67.05517	100.0
68.05855	0.8
69.07086	4.4
70.75308	0.9
77.00182	0.7
77.50115	0.5
77.99958	0.7
79.05509	6.9
79.74803	0.5
80.06282	1.0
81.03436	14.2
81.07072	27.2
86.00726	1.4
86.50636	0.7
87.00486	3.7
91.05492	1.3
94.04213	0.6
94.07863	0.8
107.08619	2.7
109.02916	2.4
109.06539	4.9
109.07687	1.0
109.10178	46.3
110.06058	1.7
111.96883	0.5
113.96430	1.5
119.61128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01867	1.3
55.05516	30.8
56.96571	0.4
57.93559	0.4
61.06888	0.3
65.03944	3.3
68.05038	0.8
69.07058	1.2
69.33664	2.9
76.51583	0.3
78.99961	0.8
83.04989	22.1
84.56831	0.3
87.00465	1.6
87.50598	2.0
88.00491	26.4
89.00237	1.1
90.50777	0.8
91.05486	0.5
93.03395	0.6
93.07040	0.6
93.73219	0.3
97.01013	11.9
98.21533	0.4
99.51283	4.8
106.01493	1.0
108.51794	0.4
109.66949	0.4
111.04449	100.0
111.08077	1.6
111.09212	0.8
112.04033	0.4
113.96405	0.7
115.96452	8.2
116.97243	2.5
123.12149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03943	1.4
55.01868	1.5
55.05517	29.6
63.85910	0.4
65.03942	3.0
67.05500	0.7
68.05001	0.4
69.03414	0.5
69.07069	0.8
70.73151	0.8
76.51585	0.5
78.99969	0.8
83.04989	21.5
85.52095	0.7
87.00474	1.1
87.50581	0.7
88.00491	14.9
93.03395	1.1
95.77375	0.5
97.01016	6.9
99.51302	2.5
106.01561	0.5
111.04453	100.0
111.08092	1.2
115.96474	3.7
116.97247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1173
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00316	1.0
53.03947	1.1
55.05516	29.7
57.07075	1.4
58.06596	1.0
67.05510	2.2
68.05025	0.6
69.04572	0.7
69.07073	100.0
70.02966	0.4
70.06595	2.5
70.07422	0.5
70.99439	0.9
80.93460	0.4
82.05309	1.0
82.62573	0.4
83.06107	1.2
84.08144	0.5
110.07172	0.8
111.04453	1.4
111.05596	3.6
111.06417	1.3
111.07487	1.0
111.08142	0.8
111.09213	7.2
111.11738	1.2
112.08781	0.5
112.11280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11798	0.1
56.05027	0.3
57.05807	0.5
58.06306	0.3
58.06599	5.0
63.21220	0.1
70.06596	1.5
70.92093	0.3
70.92428	0.2
71.04990	0.2
88.07633	5.1
89.52060	0.1
95.36774	0.1
96.86304	0.2
98.06074	0.2
98.09676	0.6
100.07613	0.3
101.08408	0.3
116.10732	100.0
117.11100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03002	0.6
81.03423	7.5
81.07066	9.6
83.04990	3.5
83.08591	1.1
84.02100	0.5
85.02914	2.4
91.04993	0.7
91.05490	9.3
93.06493	0.6
93.07050	8.9
95.04964	2.3
95.08076	0.5
95.08615	7.7
97.02895	5.2
97.06516	0.8
97.10155	0.6
98.20732	1.2
99.00780	1.7
99.04429	1.3
105.04512	0.5
105.07033	4.4
107.04940	0.9
107.08585	3.7
109.02856	1.6
109.06501	0.6
109.10159	3.2
111.04426	0.9
112.01577	1.6
117.07003	1.8
119.08585	3.0
120.63177	0.4
121.10131	3.0
123.04416	0.6
123.07981	0.5
123.11680	0.7
127.00271	2.0
127.03902	2.3
129.05469	1.1
129.06981	1.5
131.08537	2.6
133.10133	2.4
135.11676	1.4
140.00966	0.6
141.06992	0.6
145.10129	0.7
147.11688	1.6
149.09683	2.6
149.13193	0.5
153.07002	0.5
157.10141	1.4
161.13322	0.5
165.07074	0.7
167.08511	0.6
168.00554	22.4
169.01289	1.5
169.04993	1.4
169.10216	0.5
173.04594	1.0
173.06007	2.2
173.13211	0.5
175.11177	2.9
181.06459	1.4
181.10071	0.5
183.02902	100.0
184.03262	0.9
186.01610	15.7
187.07565	1.0
191.08672	0.7
195.02922	0.6
195.08014	0.6
197.06007	3.7
198.06859	0.9
199.07571	1.5
201.03951	3.1
201.05557	0.9
205.06610	0.6
207.08012	1.0
209.04370	0.6
209.06114	0.7
210.06863	0.8
211.07591	3.0
213.05556	0.7
213.09138	0.7
220.08649	0.5
223.07623	1.1
225.05585	0.8
225.09157	1.5
226.06410	0.6
231.08047	0.7
235.07849	0.6
237.05513	1.0
237.09360	0.7
239.10750	0.6
241.04865	0.7
247.07513	0.9
251.07053	0.8
261.12851	0.7
263.07092	0.8
267.13669	0.7
269.04514	0.8
275.10651	0.5
279.13843	0.6
281.15231	0.7
282.05219	0.6
285.04025	0.8
286.04761	1.5
289.12390	1.3
290.06049	0.5
291.06216	0.5
291.13806	1.4
294.05319	0.6
297.04037	0.6
297.11166	1.3
298.05060	0.6
301.07227	1.8
302.04163	5.2
302.07132	0.6
305.04465	0.5
307.05994	0.8
307.13281	3.3
308.06824	1.0
309.14905	1.0
310.04843	1.4
311.05429	1.1
313.03485	1.6
314.04266	1.8
315.06479	0.6
317.06540	10.5
317.10480	0.6
317.12018	1.0
318.05188	1.2
319.06134	1.2
320.06912	1.5
321.07556	0.7
323.05621	1.2
324.06387	0.8
325.07141	0.9
325.14188	0.9
326.04242	8.1
327.04959	1.1
328.05759	3.9
329.06625	2.4
332.06812	0.7
333.07590	0.9
334.04807	0.9
335.05569	1.4
335.09348	0.9
335.12732	2.6
335.25833	33.0
336.06390	1.6
336.26352	0.5
337.07205	1.1
338.04276	2.1
339.05112	1.6
339.08832	0.9
340.05899	2.2
341.06549	12.5
342.07355	0.6
344.06879	0.5
345.07697	1.1
346.04913	2.4
347.05545	1.1
348.06308	2.7
349.07190	2.0
350.04150	0.9
350.07886	0.7
351.04984	1.1
351.08771	1.8
352.05740	1.0
353.06558	6.6
353.13684	3.9
354.07474	0.7
355.08194	1.9
359.09396	0.9
360.06494	0.7
361.07050	4.8
361.10696	0.6
362.07895	1.9
363.05173	0.8
363.08798	3.3
364.05823	3.0
365.06418	3.6
365.10358	0.6
366.07346	1.9
367.08173	3.4
373.07083	0.8
375.08521	2.2
377.06631	1.6
378.07474	2.7
379.08151	8.2
380.08887	0.8
381.09766	1.7
383.07693	1.9
384.08813	0.6
387.08826	1.4
389.10333	1.9
391.08194	0.7
393.09546	2.5
403.07758	0.7
405.09531	0.8
417.17120	1.6
424.15268	0.7
425.15842	1.0
430.14209	0.7
437.15887	1.0
440.12976	0.8
445.16599	4.4
448.15439	0.6
452.14856	1.0
453.15668	1.3
455.15042	1.2
463.17596	4.2
465.15353	4.2
473.15878	5.0
476.14563	0.5
477.14905	0.9
481.18665	1.9
489.15765	0.8
491.17044	48.0
492.17636	1.8
497.18185	0.8
507.16669	1.7
509.18146	16.6
510.18173	0.7
515.17413	0.9
527.18842	1.4
533.18176	1.0
547.19879	1.0
565.20709	10.4
581.19312	0.6
583.21906	8.1
599.19043	1.1
601.22595	2.5
607.21423	1.0
617.20276	1.0
635.21271	2.1
653.22400	17.5
654.23132	0.7
671.23517	1.4
709.24817	0.8
727.26117	6.4
745.27130	8.9
825.42230	13.3
826.42615	0.9
843.43140	17.4
844.43042	1.0
849.41608	0.7
859.43256	0.7
861.44275	13.0
862.44403	1.6
867.42346	1.0
885.44336	2.7
927.45996	0.8
933.43707	0.7
969.46704	1.1
987.47485	15.1
988.47070	0.9
1005.48486	73.0
1006.48572	6.5
1149.52515	0.8
1167.53540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04477	5.9
79.05491	7.2
81.03410	2.1
81.07058	30.4
83.04485	1.4
83.04980	23.2
83.08620	5.3
83.57140	0.7
85.02905	100.0
85.06548	1.7
85.13010	0.7
87.04469	2.7
90.42178	0.6
91.03954	8.4
91.05471	5.6
93.07039	16.1
95.01336	8.4
95.04989	1.7
95.08608	54.9
97.02889	11.3
97.06492	0.8
97.10162	4.5
99.00813	0.8
99.04459	2.9
99.08105	0.9
101.06020	1.6
103.03944	1.4
105.07037	14.6
107.01981	0.6
107.08598	23.5
107.09309	1.4
109.02902	1.7
109.10159	28.4
111.04444	22.9
111.11720	2.0
113.02366	2.2
117.07030	2.0
119.08582	19.8
121.10146	25.2
123.11711	16.1
125.09645	0.7
125.13224	0.8
127.03929	8.2
129.05486	42.5
131.08572	5.6
133.10132	17.8
133.11107	1.2
135.11693	15.8
137.13263	16.3
139.03935	0.8
141.01831	31.2
143.08574	2.0
145.04959	11.6
145.10109	9.2
146.08189	1.2
147.06526	26.2
147.11693	13.9
149.13271	13.3
151.03960	0.9
151.14847	2.8
157.04918	0.9
157.10162	1.8
159.02888	11.0
159.11684	11.9
161.13257	13.7
163.06023	25.3
163.07411	1.4
163.14819	7.0
164.09174	1.8
165.07620	1.6
169.05043	0.8
171.06532	1.5
171.11725	2.2
173.13257	8.8
175.14836	8.7
177.03972	1.4
177.05469	1.1
177.16376	16.0
179.17943	3.1
185.13277	2.5
186.13968	0.7
187.14818	5.6
189.16371	10.4
191.17946	20.7
191.19608	1.1
193.19550	0.8
195.06483	0.5
199.14888	1.0
201.16400	12.4
203.17958	26.1
205.19514	6.5
207.06599	0.8
207.17438	1.3
213.04074	1.0
213.16418	2.2
215.17960	9.0
217.19496	13.2
219.21124	1.7
221.19110	1.4
227.17912	3.0
229.19528	14.7
231.21117	3.0
237.07538	0.9
241.19580	2.6
243.21054	4.0
245.22665	4.9
247.20567	1.1
251.05446	0.8
252.96294	0.7
255.08646	6.5
255.21063	3.5
256.21362	0.6
257.22614	8.2
259.08011	0.7
269.06573	3.4
269.22638	6.8
271.24258	2.0
273.09680	5.8
281.22592	0.6
283.24268	2.4
285.06125	0.8
287.07559	6.3
291.10779	1.9
297.25763	3.0
303.07205	1.1
305.08691	12.6
309.11835	9.8
311.27267	0.7
321.08246	3.0
323.09738	3.7
326.14389	0.8
329.65472	0.7
339.09161	5.1
345.20621	1.4
347.22263	2.5
353.32129	3.9
361.23663	0.7
365.31967	1.0
373.23938	3.3
387.25256	0.6
399.25281	1.5
401.26724	3.4
407.36725	94.4
408.37051	2.4
413.26791	2.6
425.37582	6.6
427.28461	1.4
551.40973	50.2
552.40973	1.0
575.24023	0.7
601.40515	1.6
769.14685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.591
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04475	5.0
79.05484	5.3
79.81730	0.8
81.03423	1.9
81.06585	1.9
81.07062	29.9
81.20731	0.9
83.04491	1.5
83.04986	26.5
83.08624	7.2
85.02910	100.0
85.06526	2.0
86.06076	1.2
87.04453	2.4
90.66213	0.9
91.03960	7.9
91.05481	7.7
93.07055	14.6
95.01334	8.8
95.05000	1.2
95.08613	58.2
97.02901	14.6
97.10166	2.9
99.04447	2.8
99.08069	1.1
101.02449	1.2
101.06042	1.4
103.03932	1.8
105.07039	14.2
105.33410	0.8
107.08604	28.0
109.02894	2.1
109.10159	27.5
109.38222	1.0
111.04450	23.1
111.11722	1.3
113.02361	2.2
117.07037	1.6
119.08595	18.0
121.10152	24.5
123.11719	15.4
127.03916	10.0
129.05492	47.8
129.06996	1.8
131.08563	3.3
133.10141	18.8
135.11699	16.5
137.13266	20.6
139.03908	1.8
141.00749	1.8
141.01839	33.5
143.08563	1.5
145.02962	1.3
145.04959	11.8
145.10132	9.1
146.08109	1.5
147.06529	25.8
147.11693	17.5
149.13274	15.0
151.14836	2.0
157.10167	2.8
159.02913	12.9
159.11713	9.8
161.13257	13.5
163.06033	22.9
163.14825	8.9
164.09172	2.6
165.07672	1.6
168.00648	1.1
171.06506	1.1
171.11668	2.7
173.13260	7.6
175.14838	8.5
177.04054	1.3
177.05524	2.4
177.16396	17.4
179.17949	3.0
185.13242	1.9
187.14859	6.6
189.16385	13.6
191.17961	22.6
197.13297	0.9
199.14809	1.8
200.94817	1.0
201.16426	12.2
203.17960	26.8
205.19534	7.5
207.17477	2.6
213.04016	1.4
213.16411	2.9
215.17950	8.0
217.19528	15.9
219.21094	1.3
221.18983	2.8
227.17946	3.4
229.19530	13.3
231.08688	0.9
231.21085	3.8
237.07651	1.3
241.19478	2.8
243.21063	5.9
245.22594	3.6
255.08723	5.7
255.21078	5.2
257.22626	7.4
259.08145	1.0
269.06601	5.6
269.22693	6.9
271.24210	1.9
273.09644	5.6
283.24194	2.9
287.07645	6.5
291.10767	1.2
297.25745	2.7
303.07135	1.5
305.08713	14.4
309.11780	9.5
321.08063	2.2
323.09824	4.7
337.28778	0.9
339.09320	3.7
347.22235	2.6
353.31982	2.7
373.23730	3.7
399.25684	1.2
401.26913	3.5
407.36758	96.4
408.36993	3.7
413.26904	2.0
425.37982	6.9
551.40979	49.0
552.41241	2.0
601.40985	1.1
640.64313	1.0
749.82770	1.1
884.83221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5914
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04483	2.9
79.05498	3.0
81.03427	0.8
81.06586	0.7
81.07066	14.1
83.04990	8.3
83.08629	4.2
85.02914	47.8
87.04491	0.9
91.03963	3.8
91.05481	4.0
93.07059	8.4
95.01340	3.4
95.05037	0.6
95.08620	27.4
97.02901	5.3
97.06523	0.3
97.10175	2.1
99.04475	1.4
101.02391	11.8
101.06013	0.4
103.03938	1.5
105.07048	8.6
107.07879	0.7
107.08610	15.0
109.02884	1.3
109.10170	16.9
111.04460	8.8
111.11726	1.3
113.02395	0.8
115.03943	0.6
117.07040	0.8
119.08591	12.4
121.06534	0.3
121.10162	14.8
123.04422	0.4
123.11721	9.5
123.12595	0.6
127.03933	29.3
129.05499	16.3
129.06998	0.7
131.08600	2.8
133.10143	10.9
134.65685	0.3
135.11717	10.5
137.13269	6.9
137.14264	0.2
141.01848	14.2
143.08588	1.4
144.09320	0.4
145.04982	28.8
145.10132	4.6
146.05338	0.3
146.08177	0.4
147.06540	10.9
147.11707	9.3
148.11978	0.3
149.13275	6.8
149.14377	0.6
151.14830	1.0
157.10155	1.3
159.02930	4.1
159.11710	5.7
160.12521	0.3
161.13287	7.5
163.06042	9.4
163.07416	0.5
163.14845	5.4
164.09193	0.6
165.07652	0.8
169.04912	0.3
171.06639	0.4
171.11725	1.3
173.13301	5.1
175.14853	4.9
175.16266	0.4
177.03952	0.6
177.16411	9.2
179.17981	1.3
185.13344	1.0
187.14885	3.9
189.16400	9.1
191.17963	9.5
198.75031	0.3
199.14906	1.0
201.16408	8.3
203.17984	12.6
204.18309	0.3
205.19565	3.3
207.17511	1.5
213.16420	1.2
214.17026	0.4
215.17976	5.3
217.19537	10.4
219.21033	1.5
225.07732	0.3
227.17973	2.6
229.19548	6.2
231.21091	2.6
233.18867	0.3
237.07608	0.5
241.19624	1.4
243.21118	2.7
245.22739	1.8
254.20447	0.3
255.08635	1.7
255.21083	4.3
256.21536	0.5
257.22687	4.1
259.24194	0.4
269.06616	1.2
269.22656	4.8
271.24246	2.2
273.09695	2.6
283.24210	1.8
285.06097	0.5
285.25687	0.4
287.07587	2.9
291.10742	0.5
297.25854	1.6
305.08707	4.5
309.11813	3.6
311.27365	0.6
313.28961	0.4
321.08319	0.8
323.09738	1.5
323.27460	0.5
325.29013	0.3
337.28882	0.5
339.09378	1.6
351.30524	0.4
365.32385	0.5
383.20526	0.5
407.36771	100.0
408.37085	3.6
425.37830	6.6
551.41046	1.8
601.40808	2.0
1070.35718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02386	1.3
53.03955	9.5
56.07898	0.5
60.04513	0.8
60.95867	0.7
65.03940	0.8
71.51649	0.8
77.03925	2.1
79.05502	35.5
81.03443	0.9
87.28536	0.5
88.04819	0.7
89.60491	0.5
92.01718	0.5
95.04980	9.2
103.05477	22.8
105.03421	1.1
105.04537	6.1
105.07042	100.0
105.11117	1.1
106.06580	0.6
106.07346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03945	1.9
55.01882	1.2
60.40190	0.6
61.10938	0.6
62.99077	2.4
65.03944	13.0
67.05516	3.3
67.75152	0.6
69.17027	4.0
69.17443	1.9
79.05500	21.7
91.05489	100.0
92.06292	2.9
95.04967	2.7
97.80611	0.6
105.04504	0.9
105.07041	34.3
106.04154	1.6
107.04968	15.8
107.08604	53.2
108.08130	0.8
109.06528	12.0
119.06075	9.3
124.05199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5904
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04486	6.6
77.03909	0.5
79.05498	6.6
81.03429	2.2
81.07060	28.0
83.04985	27.5
83.08626	5.0
85.02908	100.0
86.06086	0.5
87.04483	1.8
91.03962	7.2
91.05472	5.2
93.07041	12.5
94.94610	0.4
95.01332	8.5
95.04980	1.5
95.08611	49.2
96.08926	0.8
97.02896	12.4
97.06492	0.6
97.10177	3.1
99.00864	0.8
99.04485	2.5
101.02357	1.0
101.06023	1.1
103.03954	2.2
105.07030	12.9
105.07692	0.9
107.08598	20.6
109.02870	2.2
109.10164	24.1
111.04446	23.4
111.11732	1.4
113.02332	2.3
115.03940	1.1
115.73554	0.5
117.07042	2.2
119.08583	15.3
121.10149	20.1
123.11714	12.7
125.09636	0.6
127.03929	10.4
129.05486	51.6
131.03400	0.8
131.08582	4.7
133.10138	14.4
135.11703	11.8
137.12190	0.7
137.13258	16.1
141.01833	32.2
143.08582	1.8
145.04967	12.2
145.10138	7.5
146.08093	0.9
147.06526	30.7
147.11703	10.8
149.13261	12.1
151.03990	0.6
151.14838	1.6
157.10188	2.6
159.02907	12.6
159.11697	10.3
161.13252	8.9
163.06024	24.9
163.14812	5.4
164.09227	2.2
165.01945	0.5
165.07616	1.9
165.12758	0.8
169.04915	0.5
171.06580	1.4
171.11710	1.8
173.13261	5.9
175.14845	6.6
177.02457	0.4
177.03983	2.3
177.05444	1.0
177.16388	14.7
179.17993	2.2
183.02939	1.1
185.13284	2.2
186.13963	0.5
187.02501	0.6
187.14836	3.6
189.07649	0.6
189.16388	8.3
191.17949	13.2
193.19565	0.9
195.06482	0.5
197.13263	0.5
199.14816	1.8
201.16391	9.5
203.17970	18.1
205.19521	8.6
211.09714	0.6
213.07573	1.1
213.16328	2.3
215.17984	6.2
217.19505	9.7
219.21065	1.5
221.19067	0.7
227.17973	2.1
229.19533	9.9
231.08635	1.4
231.21126	3.9
237.07510	1.2
241.19568	1.8
243.21153	3.3
245.22618	3.9
247.20612	0.6
255.08635	5.4
255.21187	2.7
257.22705	4.8
259.08182	0.7
269.06595	4.5
269.22665	3.6
271.24225	1.9
273.09668	5.9
283.24158	2.3
285.06079	1.1
287.07599	7.2
291.10815	1.9
297.25876	0.8
303.07108	1.1
305.08688	15.3
305.12057	1.1
309.11807	11.3
313.28775	0.8
321.08139	2.3
323.09821	4.8
339.09222	4.3
345.20590	2.2
347.22226	1.7
353.31979	3.1
359.22174	1.3
361.23703	0.9
365.32074	0.7
373.23849	5.1
385.23758	0.6
387.25217	0.8
399.25226	0.8
401.26938	3.3
407.36743	64.0
408.36963	2.4
413.26605	2.4
413.44983	0.5
425.37836	3.1
427.28455	1.7
431.11572	0.7
467.31650	0.6
537.73090	0.6
549.39453	0.9
551.40985	58.2
552.41278	2.5
569.41956	1.4
1070.54382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5916
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	2.5
75.04488	1.9
78.01052	0.4
79.05495	3.1
81.03429	0.9
81.07067	14.9
83.04989	8.0
83.08635	3.3
84.14034	0.3
85.02914	43.3
87.04469	0.8
91.03970	4.0
91.05491	3.6
93.07053	7.5
95.01335	2.9
95.04986	0.9
95.08616	23.9
97.02907	4.9
97.06512	0.5
97.10184	2.4
99.00822	0.4
99.04454	0.8
101.06083	0.4
103.03937	1.0
105.07035	8.0
107.04943	0.4
107.08606	13.3
109.02900	1.3
109.10169	14.7
111.04459	10.3
111.11717	1.0
113.02389	1.0
115.03867	0.4
117.07020	0.8
119.08595	9.4
121.10157	13.0
123.11723	9.6
126.68708	0.4
127.03934	4.8
129.05493	18.2
129.06993	0.7
131.08617	2.0
133.06436	0.4
133.08662	0.4
133.10139	9.3
135.04456	0.4
135.11703	9.2
137.13263	7.0
141.01842	12.7
143.08586	0.8
145.04990	3.7
145.10143	4.1
146.08197	0.7
147.06540	12.7
147.11713	7.5
149.12051	0.4
149.13277	7.6
149.14401	0.7
151.03871	0.4
151.14839	1.5
155.14534	0.4
157.04958	0.6
157.10155	1.5
159.02905	5.4
159.11729	4.7
161.13264	7.6
163.06039	9.8
163.07404	0.6
163.14845	4.9
164.09215	0.5
165.07564	0.9
165.16339	0.5
171.06683	0.5
171.11717	1.5
173.04520	0.4
173.13290	4.7
175.14854	5.1
177.03978	1.1
177.05434	0.4
177.16403	9.1
178.22133	0.3
179.17993	0.4
185.13304	1.7
187.14833	3.6
189.16412	7.9
189.18134	0.5
191.17970	7.9
197.13228	0.5
199.14894	1.7
201.16400	8.1
203.17982	10.4
205.19560	3.7
207.17448	0.6
213.16446	2.1
215.17984	4.6
217.07153	1.4
217.19542	7.8
219.21173	1.0
225.16507	0.6
227.17975	2.4
229.19519	5.4
231.08560	0.7
231.21095	2.8
233.19075	1.0
237.07582	0.4
241.19495	2.1
243.21095	3.6
245.22733	2.3
253.19583	0.4
255.08690	2.6
255.21100	4.9
257.22672	5.4
269.06662	1.8
269.22647	5.2
271.24231	1.9
273.09750	2.7
283.24261	1.6
285.06165	0.6
287.07709	3.3
291.10757	0.9
297.25879	0.8
301.06931	0.5
305.08713	6.6
306.09335	0.4
309.11893	5.9
311.27490	0.5
321.08200	1.3
323.09799	3.3
323.27148	0.4
325.28937	0.5
339.09119	3.0
365.32260	0.5
379.12418	0.5
405.35245	1.4
407.36765	100.0
408.37195	2.4
425.37842	6.9
439.24646	0.4
441.07803	0.8
495.38409	3.8
601.40857	1.5
746.37750	0.4
846.70636	0.4
874.44806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02383	1.3
53.03953	8.8
60.08170	0.6
61.08500	0.9
65.03912	0.4
68.33778	0.4
70.84283	0.4
77.03937	2.0
79.05502	33.4
81.03441	0.7
87.00838	2.1
88.90597	0.4
95.04977	8.1
103.05476	21.3
105.03414	1.5
105.04542	5.4
105.07040	100.0
105.11073	2.6
106.07381	0.7
118.20402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03719	1.0
53.03955	19.2
55.01871	1.1
56.96571	14.9
57.03442	3.4
58.50546	1.2
60.02145	3.5
60.08171	4.9
60.95871	0.8
67.51081	4.1
67.92865	0.7
68.01251	0.7
71.05002	0.8
71.23065	1.2
71.23425	1.4
73.02924	0.9
73.77924	0.7
75.04457	1.1
77.03939	4.4
79.01878	3.8
79.52039	3.3
81.03423	1.9
82.01479	0.8
85.02908	6.4
86.03307	0.8
86.06062	0.8
87.04493	0.8
88.01618	2.4
88.02367	1.2
88.52564	0.9
95.04972	17.8
100.37139	0.7
102.04675	4.1
103.03986	12.5
103.05476	100.0
104.10755	17.3
105.04520	9.2
111.40860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.8
59.07381	0.8
60.08168	35.4
68.08550	0.2
69.03450	0.2
70.71089	0.3
70.71426	0.3
82.01414	0.2
82.28168	0.2
86.06083	0.3
86.50262	0.2
87.04485	0.8
104.10751	100.0
105.11076	0.4
109.58337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
57.02334	0.2
57.65811	0.1
58.06601	2.9
59.07379	0.8
60.08168	33.2
60.70461	0.2
64.63158	0.2
69.03430	0.5
70.64955	0.3
70.65276	0.2
76.35747	0.1
86.06073	0.4
87.04478	1.0
87.50626	0.1
104.10751	100.0
105.11092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	9.3
81.03415	2.1
81.07057	11.4
83.08614	1.9
85.18752	0.9
91.05482	10.0
93.07047	10.8
95.04977	2.0
95.08599	8.7
97.02807	0.8
97.06518	0.9
99.00827	1.0
105.07037	5.2
107.08623	4.2
109.10153	3.3
112.01624	1.7
117.07004	1.0
119.08581	3.1
121.10144	2.0
123.04454	0.8
127.00312	1.2
129.06996	1.1
131.08583	3.5
133.10121	1.7
135.11696	1.9
147.11690	1.7
149.09633	2.1
157.10091	0.9
161.06030	1.1
168.00557	18.7
169.01352	1.5
169.05020	1.3
173.06042	2.7
183.02896	81.3
186.01605	14.4
187.07588	2.3
197.06053	1.7
199.07530	2.3
201.03954	2.5
211.07562	1.9
213.05544	1.4
215.06973	1.4
219.62315	0.8
225.09019	1.3
241.05045	0.9
253.05067	0.9
253.12248	1.0
267.13794	1.0
287.44168	0.9
295.06152	1.0
297.11115	1.8
298.04636	1.0
301.07114	2.4
302.04202	7.7
307.13333	1.9
309.15005	1.0
310.04593	1.8
311.05496	1.2
313.03436	2.3
317.06580	11.4
319.05997	1.0
323.05441	1.2
325.07190	1.2
326.04178	8.8
327.04953	1.3
328.05838	5.3
329.06345	1.8
333.07672	1.1
335.05490	1.2
335.12735	2.1
335.25821	26.1
336.06360	1.6
337.07065	2.1
338.04129	2.1
339.05093	2.7
340.05695	2.4
341.06567	15.3
349.07104	1.7
351.04919	2.0
351.08820	2.0
352.05780	1.1
353.06561	4.6
353.13739	5.9
354.07312	1.1
355.08182	2.1
361.07172	2.5
363.08569	1.2
364.05753	1.2
365.06506	3.4
366.07425	2.1
367.08118	2.9
369.09628	1.3
379.08096	3.9
381.09592	1.6
383.07666	2.5
393.09708	1.8
424.14957	1.5
445.16208	1.5
453.15384	1.8
463.17575	2.4
465.15442	3.6
473.16052	2.7
481.18469	2.5
491.17087	20.9
509.18100	38.3
510.18060	2.2
565.20612	3.2
583.21826	12.4
601.22949	11.8
653.22791	1.2
785.23474	1.0
825.41455	3.3
843.43195	27.0
844.43152	1.5
861.44220	100.0
862.44373	6.2
937.36194	0.9
963.38977	0.9
987.47803	1.0
998.10248	1.0
1005.46881	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	1023.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	0.4
71.04995	0.4
79.05498	12.7
81.03427	2.2
81.07060	13.8
83.04948	1.2
83.08614	1.8
84.02103	0.8
85.02869	1.1
90.71350	0.3
91.05486	10.8
93.06507	0.6
93.07053	11.2
95.04985	1.6
95.08613	10.5
97.02859	0.9
97.06509	1.2
99.00829	1.9
99.08119	0.3
103.05429	0.3
105.04504	0.8
105.07040	5.4
107.04941	0.6
107.08595	5.2
108.94558	0.3
109.06512	1.0
109.10181	3.3
111.04423	0.4
112.01584	1.6
113.06044	0.3
115.05478	0.4
116.06192	0.5
117.06997	1.5
119.06077	0.5
119.08584	4.1
121.02863	0.3
121.10149	3.9
123.00816	0.4
123.04414	0.6
123.08073	0.5
123.11754	0.7
127.00278	2.0
127.03957	0.5
129.07047	1.7
129.07797	0.3
131.08582	2.4
133.10146	2.3
135.11676	1.8
137.02321	0.8
140.01042	0.7
142.07753	0.5
143.08536	0.4
145.10115	1.4
147.04366	0.7
147.08206	0.4
147.11693	2.5
149.02345	0.3
149.05992	0.6
149.09666	2.8
149.13255	0.7
153.07057	0.7
154.02614	0.5
154.99696	0.6
155.03377	0.8
155.08691	0.4
157.04959	0.8
157.10107	1.4
159.11707	0.6
161.05986	0.9
161.13203	0.5
165.06976	0.5
167.08575	0.6
168.00558	25.3
168.25018	0.3
169.01305	1.9
169.04964	1.4
169.06381	0.7
173.04572	0.6
173.05960	3.2
175.07504	0.3
175.11176	1.6
179.03340	0.3
179.08566	0.5
181.06497	1.4
183.02901	100.0
184.03212	0.6
185.00768	0.4
185.06062	0.8
186.01605	17.3
187.03876	0.4
187.07571	2.0
187.09024	0.3
189.05466	0.9
191.08467	0.5
192.05746	0.4
193.04976	0.7
193.12280	0.5
194.07304	0.5
195.02882	1.1
195.08044	0.8
197.06030	2.7
198.06804	1.2
199.07553	2.8
200.04599	0.5
201.03949	2.9
201.05525	0.7
206.07240	0.5
207.08101	0.6
209.05978	1.0
210.06769	0.8
211.07607	2.4
212.08382	0.4
213.05487	1.7
213.09100	1.1
214.05992	0.4
215.06975	0.8
219.08031	0.5
221.04451	0.5
223.07553	1.1
224.08272	0.6
225.05502	1.2
225.09183	0.6
226.06230	0.4
227.07072	1.0
227.10608	0.5
229.04790	0.5
237.05457	1.0
237.09103	0.8
239.06972	1.0
241.04973	1.0
249.09186	0.5
251.07042	0.5
251.10704	0.5
253.05006	0.7
253.12210	0.8
255.06577	0.9
259.06042	0.5
261.12979	0.6
261.22171	0.6
263.07361	0.4
265.04904	0.4
265.12262	0.6
266.05933	0.6
269.04550	1.0
271.05771	0.4
279.06519	0.8
279.09641	0.3
279.13748	0.7
281.04514	0.5
283.05948	0.8
285.03992	1.3
286.04669	1.1
289.12323	0.6
291.06595	0.3
291.10223	0.4
291.13739	0.6
294.05225	0.5
295.05945	0.9
295.13376	0.4
297.04034	0.6
297.08017	0.4
297.11176	1.9
297.38211	0.4
298.04739	0.7
301.03787	0.6
301.07123	2.3
302.04214	9.3
305.04602	0.5
307.06027	0.9
307.13174	3.3
308.06696	0.6
309.04004	0.8
309.07480	0.8
309.11386	0.4
309.14932	1.4
310.04782	2.4
311.05582	1.1
312.02707	0.5
312.06216	0.8
313.03436	2.6
313.06863	0.5
314.04324	1.4
315.05453	0.4
317.06577	13.9
317.11932	0.6
318.05402	1.0
319.05930	0.8
321.04239	0.4
321.07718	0.8
322.04742	0.8
323.05801	1.9
324.06308	1.0
325.03586	0.7
325.07159	1.0
325.14313	0.8
326.04251	10.1
327.04941	1.2
327.15970	0.7
328.02191	0.7
328.05811	5.8
329.06488	2.6
333.07516	0.8
334.04703	0.5
334.08258	0.4
335.05508	1.3
335.09235	0.8
335.12656	2.7
335.25824	34.6
336.06366	1.9
336.26212	0.8
337.07123	1.4
338.04245	2.6
338.07825	0.6
339.05008	2.7
339.08832	1.3
340.05789	2.9
341.06573	21.3
347.05539	1.0
348.06223	1.7
349.06998	1.9
350.04160	0.7
351.05048	2.4
351.08267	1.9
352.05722	1.6
353.06668	5.9
353.13809	8.4
354.07291	1.6
355.08185	2.1
355.11896	0.4
361.07086	2.6
362.07956	1.1
363.04852	0.6
363.08752	1.5
364.05597	2.3
365.06430	2.9
365.10156	0.5
366.07343	1.6
367.08221	3.5
368.05182	0.6
369.09778	1.0
375.08603	0.8
377.06641	1.0
378.07388	1.7
379.08139	5.1
380.08820	0.9
381.09802	1.8
383.07553	3.1
384.08435	1.0
385.09344	0.6
389.09998	0.8
391.07986	0.6
393.09589	1.9
397.09314	0.9
417.17148	0.5
424.15207	1.9
425.16275	0.8
427.16382	0.4
431.15018	0.6
437.15952	1.5
445.16516	2.1
448.15402	0.9
452.14798	1.4
453.15482	1.1
455.15262	0.4
463.17535	4.6
465.15555	2.7
473.16122	3.1
481.18323	2.3
491.17053	29.0
492.17395	0.6
509.18121	64.8
510.18512	1.3
527.19159	3.4
547.19647	0.7
565.20709	6.3
583.21790	19.2
601.22821	19.9
653.22504	1.5
745.26495	0.9
804.69830	0.4
825.42242	4.4
843.43121	27.1
844.44055	1.0
861.44196	70.0
862.44653	2.7
987.45563	0.7
1005.48431	3.2
1023.51050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	0.5
77.03921	0.6
79.05499	11.9
81.03421	1.7
81.07058	12.3
83.04961	0.9
83.08604	1.2
84.02100	0.8
85.02872	0.8
85.64221	0.3
85.67760	0.3
86.19884	0.3
91.05486	9.8
93.07047	11.0
95.04985	1.9
95.08607	8.7
97.02888	0.7
97.06511	1.0
97.10159	0.6
99.00831	1.7
105.04501	0.7
105.07030	5.6
107.04903	0.4
107.08611	3.2
109.06487	0.6
109.10166	2.2
111.04446	0.4
111.08087	0.4
112.01558	1.4
113.02385	0.5
115.05437	0.7
116.06215	0.4
117.07011	1.1
119.08576	3.6
121.06472	0.4
121.10165	2.9
123.04414	0.9
123.08031	0.4
123.11689	0.7
127.00270	1.8
127.03857	0.6
128.06207	0.7
129.07031	1.5
131.04916	0.5
131.08574	2.7
132.80759	0.3
133.06503	0.4
133.10126	2.5
135.11667	1.3
137.02350	0.8
140.01035	0.5
141.06993	0.7
145.10115	1.0
147.04373	1.1
147.08121	0.3
147.11707	2.6
149.09589	2.8
149.13272	0.6
153.07007	1.2
154.02621	0.5
154.99715	0.4
155.03369	0.7
157.06454	0.4
157.10109	1.4
159.11700	0.6
161.05917	0.8
163.03900	0.4
165.07040	0.6
167.08612	0.5
168.00545	27.2
169.01308	2.2
169.05081	1.7
169.06389	0.5
173.05984	3.7
175.07611	0.4
175.11189	1.7
177.05444	0.4
179.08536	0.5
181.06445	1.8
183.02896	100.0
184.03255	0.7
184.05304	0.4
185.05963	0.5
186.01602	18.0
187.07559	2.6
193.04955	0.7
193.06610	0.6
193.12259	0.8
193.28006	0.3
194.02328	0.4
195.02849	0.4
195.08075	1.0
197.04350	0.5
197.05963	2.8
198.06821	0.8
198.17322	0.3
199.03902	0.3
199.07581	2.5
200.04576	0.6
201.03941	3.1
201.05515	1.4
201.09013	0.6
205.10115	0.4
209.05949	1.0
210.06776	0.8
211.07576	2.6
212.08205	0.6
213.05489	1.2
213.09073	1.0
214.06122	0.4
215.07051	1.1
221.09663	0.5
223.07503	0.8
225.05501	1.1
225.09088	1.1
227.03342	0.4
227.06947	0.7
229.05043	0.5
233.09653	0.8
237.05469	0.9
237.09113	0.8
238.09805	0.4
239.07037	1.0
241.04916	0.8
247.07646	0.5
249.09065	0.4
250.06348	0.5
251.10712	0.5
253.04958	0.8
254.05783	0.8
255.06537	1.0
261.22321	0.6
265.05054	0.6
265.08698	0.6
265.12204	0.7
267.13745	0.5
268.03638	0.5
269.04501	0.9
270.05139	0.4
271.05850	0.5
273.12732	0.4
279.06561	0.5
279.13806	0.7
280.07568	0.4
281.04492	0.5
281.11743	0.6
281.15387	0.5
282.05219	0.8
283.06107	1.2
284.03253	0.5
285.03900	0.8
286.04697	1.2
289.12296	0.6
291.06509	0.6
291.13675	0.8
294.05237	1.0
295.06088	0.9
295.13464	0.5
297.03888	0.6
297.11105	1.6
298.04672	0.9
301.03723	0.7
301.07172	2.3
302.04224	8.3
306.05225	0.7
307.06055	0.9
307.13309	3.3
308.06708	1.0
309.04178	0.7
309.07632	0.7
309.11310	0.5
309.14816	1.0
310.04663	2.1
311.05536	1.1
313.03464	3.0
313.06992	0.8
314.04202	2.3
317.06573	13.8
317.59512	0.4
318.05453	0.7
319.05991	1.0
320.06711	0.7
321.04160	0.6
321.07642	1.3
322.04782	1.0
323.05475	1.8
324.06247	1.5
325.03586	0.6
325.07162	1.1
325.14349	0.8
326.04257	11.9
327.05118	1.8
328.02103	0.3
328.05731	6.8
329.06522	2.9
333.07587	0.8
334.04944	0.6
335.05579	1.3
335.09314	0.6
335.12833	2.2
335.25818	23.7
336.06250	1.7
337.06982	1.9
338.04193	2.9
338.07831	0.5
339.05057	3.0
339.08771	0.8
340.05771	2.9
341.06570	18.5
342.07443	0.4
345.07550	0.6
346.04672	0.7
347.05475	0.8
348.06256	1.1
349.07129	1.7
350.04132	0.8
351.04974	1.8
351.08710	2.5
352.05844	1.3
353.06635	6.3
353.13779	8.5
354.07419	1.3
355.08130	2.4
359.09058	0.5
360.06274	0.6
361.06992	2.6
362.07892	1.5
363.04819	0.7
363.08817	1.3
364.05960	1.9
365.06485	3.7
365.10294	0.6
366.07248	1.6
367.08154	3.7
368.05197	0.5
369.10101	0.7
373.07004	0.6
375.08725	0.9
377.06354	0.8
378.07364	1.3
379.08124	5.1
380.08765	0.9
381.09625	1.6
383.07605	2.7
384.08527	0.6
385.09076	0.8
389.10089	0.8
391.08072	0.6
393.09628	2.3
395.11609	0.7
397.09219	0.9
424.15015	1.6
427.16885	0.5
430.14212	0.4
437.16089	0.9
440.12766	0.4
445.16724	2.4
448.15335	0.6
452.14883	1.0
453.15350	0.9
455.14667	0.5
459.14493	0.4
463.17465	3.5
465.15338	2.8
473.15936	3.5
481.18460	2.6
491.17020	31.6
492.17206	0.6
509.18115	79.9
510.18433	1.5
527.19110	4.3
547.19824	0.8
565.20691	5.2
583.21759	20.9
584.22485	0.4
601.22894	9.2
653.22314	1.3
671.23065	0.5
706.66528	0.4
727.25732	0.7
769.39294	0.5
825.42114	3.6
843.43127	24.5
844.43524	0.9
861.44202	55.7
862.45087	2.5
987.47357	0.6
1005.48352	2.4
1023.51923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	1.8
55.01870	3.0
55.05518	13.3
56.95435	1.5
56.96570	19.1
57.03421	1.8
58.50544	1.8
59.04995	4.3
59.06125	8.0
59.99948	4.7
60.04538	1.8
66.26215	1.8
67.51077	9.5
70.95384	4.5
72.68948	1.7
73.02928	3.8
79.01869	11.3
82.01433	2.6
82.99854	6.1
83.01504	22.1
83.04983	5.6
84.01228	3.4
84.04504	1.7
84.73481	1.7
85.02905	4.0
88.02361	2.8
89.00261	16.7
89.83804	1.9
95.89818	1.6
98.00791	8.5
98.51052	1.5
100.02510	3.9
101.00889	44.7
101.01529	3.9
101.02569	56.2
101.06031	4.2
101.07240	2.2
101.07952	7.1
102.02231	3.8
117.96012	11.7
118.96765	3.5
119.01934	100.0
119.03618	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	1010.5755
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	6.1
71.08614	1.7
71.52771	2.0
73.02908	4.8
73.06560	4.1
79.05496	14.8
81.03411	11.9
81.07062	21.1
81.12393	1.4
83.04967	4.4
83.08622	24.6
85.02911	12.9
85.06522	4.9
87.00825	5.8
87.04475	21.0
89.06033	100.0
91.05469	5.1
93.07050	28.7
95.04953	3.9
95.08619	17.7
97.02898	6.7
97.06541	18.0
97.10175	4.2
99.04461	4.0
101.05993	2.9
103.03957	2.1
103.07584	1.3
105.01854	1.9
105.04456	1.3
105.07034	2.9
107.08599	23.5
109.02867	9.9
109.10157	13.0
110.96804	1.2
111.08080	9.0
111.11715	2.8
113.05990	1.5
115.07576	2.4
117.01859	1.8
117.09132	3.2
119.08563	1.8
121.10153	10.4
123.11733	2.5
124.08395	1.3
127.03928	10.6
129.09094	1.6
130.08618	3.8
131.07054	7.1
133.08611	86.5
133.10127	2.9
135.11700	25.1
139.11211	1.9
145.04927	3.1
147.04422	1.9
147.11703	1.4
149.06035	1.6
149.13260	32.1
153.12747	30.1
159.02870	4.0
161.11819	1.5
167.14320	22.9
171.13817	31.1
175.09610	6.0
177.05466	1.8
177.11241	40.4
185.15370	21.3
197.15388	16.0
205.10991	1.7
206.11713	4.1
211.16930	53.6
213.03857	1.9
215.16412	3.4
219.12283	3.3
221.13808	8.6
227.16396	4.2
229.17976	14.9
231.04968	1.8
239.14755	2.5
243.19518	2.1
255.19377	3.6
259.64737	1.2
265.16418	3.4
269.21109	4.7
273.20529	2.5
283.17441	3.5
286.04932	1.6
287.05402	3.2
287.22073	5.8
301.07007	6.0
302.07275	2.0
307.17337	1.7
309.19055	2.8
327.20233	3.4
343.24939	1.6
353.21545	3.6
397.24222	1.8
415.25253	3.0
459.28159	12.8
499.30981	2.5
503.30560	13.8
517.31946	1.5
543.33850	2.9
625.41669	1.8
669.43707	1.8
727.48260	6.2
745.49316	6.8
893.03638	1.6
966.17035	1.5
992.57202	2.7
1010.57898	9.8
END